USER MOD reduce.3.24.130724 H: found=0, std=0, add=1438, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 1440 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: B 85 SER OG : rot 150:sc= -0.736 USER MOD Set 1.2: B 89 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.1: B 43 CYS SG : rot -55:sc= 0.808 USER MOD Set 2.2: B 52 SER OG : rot -115:sc= 1.28 USER MOD Set 3.1: A 28 CYS SG : rot -176:sc= 1.52 USER MOD Set 3.2: B 28 CYS SG : rot -174:sc= 1.67 USER MOD Set 4.1: B 16 THR OG1 : rot 180:sc= 0 USER MOD Set 4.2: B 53 HIS : no HE2:sc= -2.39! C(o=-2.4!,f=-4.3!) USER MOD Set 5.1: A 85 SER OG : rot 150:sc= -0.341 USER MOD Set 5.2: A 89 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 6.1: A 16 THR OG1 : rot 180:sc= 0 USER MOD Set 6.2: A 53 HIS : no HE2:sc= -2.41! C(o=-2.4!,f=-4.4!) USER MOD Set 7.1: A 43 CYS SG : rot -45:sc= 1.17 USER MOD Set 7.2: A 52 SER OG : rot -108:sc= 1.69! USER MOD Single : A 8 HIS : no HD1:sc= -0.369 K(o=-0.37,f=-1) USER MOD Single : A 10 ASN : amide:sc= -0.591 K(o=-0.59,f=-4.9!) USER MOD Single : A 19 ASN : amide:sc= -0.0386 K(o=-0.039,f=-1.7!) USER MOD Single : A 20 HIS : no HD1:sc= -0.309 K(o=-0.31,f=-1.6) USER MOD Single : A 24 MET CE :methyl -167:sc= -0.119 (180deg=-0.376) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0.00396 USER MOD Single : A 26 HIS : no HE2:sc= -1.02 K(o=-1,f=-1.7) USER MOD Single : A 37 ASN : amide:sc= -2.87! C(o=-2.9!,f=-5.9!) USER MOD Single : A 47 GLN : amide:sc= 0 X(o=0,f=-0.47) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ -125:sc= 0.014 (180deg=-1.45!) USER MOD Single : A 59 ASN : amide:sc= 0.935 K(o=0.94,f=-7.2!) USER MOD Single : A 62 GLN : amide:sc= -1.95 K(o=-2,f=0) USER MOD Single : A 66 GLN : amide:sc= 0.0523 X(o=0.052,f=0) USER MOD Single : A 67 MET CE :methyl -133:sc= -0.885 (180deg=-3.56!) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 GLN : amide:sc= -2.89 K(o=-2.9,f=-0.44) USER MOD Single : A 73 LYS NZ :NH3+ -165:sc= 0.286 (180deg=0.215) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 GLN : amide:sc= 0 X(o=0,f=-0.31) USER MOD Single : A 83 ASN : amide:sc= -0.526 K(o=-0.53,f=0) USER MOD Single : A 84 GLN : amide:sc= -0.107 K(o=-0.11,f=-3.4!) USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 ASN : amide:sc= -3.94! C(o=-3.9!,f=-1.7!) USER MOD Single : A 92 LYS NZ :NH3+ 167:sc= -0.029 (180deg=-0.21) USER MOD Single : B 10 ASN : amide:sc= -0.707 K(o=-0.71,f=-4.9!) USER MOD Single : B 19 ASN : amide:sc= -0.0225 K(o=-0.023,f=-1.7!) USER MOD Single : B 20 HIS : no HD1:sc= -0.315 K(o=-0.32,f=-1.6) USER MOD Single : B 24 MET CE :methyl -169:sc= -0.271 (180deg=-0.46) USER MOD Single : B 25 THR OG1 : rot 180:sc= 0 USER MOD Single : B 26 HIS : no HE2:sc= -1.26 K(o=-1.3,f=-1.9!) USER MOD Single : B 37 ASN : amide:sc= -2.39! C(o=-2.4!,f=-5.3!) USER MOD Single : B 47 GLN : amide:sc= 0 X(o=0,f=-0.45) USER MOD Single : B 49 SER OG : rot 180:sc= 0 USER MOD Single : B 51 LYS NZ :NH3+ -121:sc= -0.0075 (180deg=-1.6!) USER MOD Single : B 59 ASN : amide:sc= 0.989 K(o=0.99,f=-7.6!) USER MOD Single : B 62 GLN : amide:sc= -1.65 K(o=-1.6,f=0) USER MOD Single : B 66 GLN : amide:sc= 0.128 X(o=0.13,f=0) USER MOD Single : B 67 MET CE :methyl -133:sc= -0.753 (180deg=-3.36!) USER MOD Single : B 69 SER OG : rot 180:sc= 0 USER MOD Single : B 70 GLN : amide:sc= -2.8 K(o=-2.8,f=-0.45) USER MOD Single : B 73 LYS NZ :NH3+ -167:sc= 0.34 (180deg=0.26) USER MOD Single : B 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 81 GLN : amide:sc= 0 X(o=0,f=-0.27) USER MOD Single : B 83 ASN : amide:sc= -0.518 K(o=-0.52,f=0) USER MOD Single : B 84 GLN : amide:sc= -0.115 K(o=-0.12,f=-3.5!) USER MOD Single : B 88 THR OG1 : rot 180:sc= 0 USER MOD Single : B 91 ASN : amide:sc= -4.2! C(o=-4.2!,f=-1.6!) USER MOD Single : B 92 LYS NZ :NH3+ 166:sc= -0.0509 (180deg=-0.245) USER MOD ----------------------------------------------------------------- ATOM 97 N HIS A 8 14.882 -3.835 -13.548 1.00 53.21 N ATOM 98 CA HIS A 8 15.245 -2.528 -12.953 1.00 44.05 C ATOM 99 C HIS A 8 14.428 -1.378 -13.611 1.00 45.24 C ATOM 100 O HIS A 8 14.834 -0.217 -13.568 1.00 4.42 O ATOM 101 CB HIS A 8 16.788 -2.331 -13.127 1.00 51.01 C ATOM 102 CG HIS A 8 17.440 -1.372 -12.153 1.00 65.11 C ATOM 103 ND1 HIS A 8 18.234 -1.794 -11.109 1.00 61.45 N ATOM 104 CD2 HIS A 8 17.428 -0.018 -12.078 1.00 2.05 C ATOM 105 CE1 HIS A 8 18.684 -0.752 -10.447 1.00 2.40 C ATOM 106 NE2 HIS A 8 18.205 0.335 -11.009 1.00 31.32 N ATOM 0 HA HIS A 8 15.000 -2.508 -11.891 1.00 44.05 H new ATOM 0 HB2 HIS A 8 17.273 -3.303 -13.032 1.00 51.01 H new ATOM 0 HB3 HIS A 8 16.979 -1.977 -14.140 1.00 51.01 H new ATOM 0 HD2 HIS A 8 16.903 0.656 -12.739 1.00 2.05 H new ATOM 0 HE1 HIS A 8 19.337 -0.784 -9.587 1.00 2.40 H new ATOM 0 HE2 HIS A 8 18.384 1.290 -10.698 1.00 31.32 H new ATOM 115 N ASP A 9 13.259 -1.707 -14.193 1.00 62.10 N ATOM 116 CA ASP A 9 12.365 -0.706 -14.842 1.00 32.25 C ATOM 117 C ASP A 9 11.736 0.213 -13.780 1.00 53.42 C ATOM 118 O ASP A 9 11.515 1.406 -14.014 1.00 53.33 O ATOM 119 CB ASP A 9 11.264 -1.436 -15.645 1.00 4.02 C ATOM 120 CG ASP A 9 10.470 -0.536 -16.614 1.00 15.20 C ATOM 121 OD1 ASP A 9 9.432 0.036 -16.212 1.00 41.31 O ATOM 122 OD2 ASP A 9 10.872 -0.415 -17.801 1.00 4.21 O ATOM 0 H ASP A 9 12.903 -2.662 -14.231 1.00 62.10 H new ATOM 0 HA ASP A 9 12.952 -0.091 -15.524 1.00 32.25 H new ATOM 0 HB2 ASP A 9 11.724 -2.244 -16.215 1.00 4.02 H new ATOM 0 HB3 ASP A 9 10.567 -1.896 -14.945 1.00 4.02 H new ATOM 127 N ASN A 10 11.457 -0.379 -12.607 1.00 15.44 N ATOM 128 CA ASN A 10 10.893 0.331 -11.451 1.00 44.22 C ATOM 129 C ASN A 10 11.978 1.096 -10.667 1.00 33.13 C ATOM 130 O ASN A 10 13.183 0.967 -10.934 1.00 31.11 O ATOM 131 CB ASN A 10 10.124 -0.657 -10.518 1.00 72.42 C ATOM 132 CG ASN A 10 10.965 -1.831 -9.968 1.00 44.40 C ATOM 133 OD1 ASN A 10 12.187 -1.767 -9.833 1.00 62.33 O ATOM 134 ND2 ASN A 10 10.299 -2.916 -9.632 1.00 41.20 N ATOM 0 H ASN A 10 11.618 -1.371 -12.435 1.00 15.44 H new ATOM 0 HA ASN A 10 10.185 1.068 -11.831 1.00 44.22 H new ATOM 0 HB2 ASN A 10 9.719 -0.096 -9.676 1.00 72.42 H new ATOM 0 HB3 ASN A 10 9.276 -1.065 -11.068 1.00 72.42 H new ATOM 0 HD21 ASN A 10 10.796 -3.722 -9.253 1.00 41.20 H new ATOM 0 HD22 ASN A 10 9.287 -2.950 -9.751 1.00 41.20 H new ATOM 141 N VAL A 11 11.524 1.892 -9.694 1.00 13.21 N ATOM 142 CA VAL A 11 12.366 2.663 -8.778 1.00 22.41 C ATOM 143 C VAL A 11 11.812 2.466 -7.356 1.00 73.22 C ATOM 144 O VAL A 11 10.582 2.360 -7.164 1.00 62.00 O ATOM 145 CB VAL A 11 12.438 4.207 -9.154 1.00 51.11 C ATOM 146 CG1 VAL A 11 13.092 4.415 -10.545 1.00 64.04 C ATOM 147 CG2 VAL A 11 11.048 4.901 -9.102 1.00 65.22 C ATOM 0 H VAL A 11 10.528 2.021 -9.518 1.00 13.21 H new ATOM 0 HA VAL A 11 13.391 2.299 -8.849 1.00 22.41 H new ATOM 0 HB VAL A 11 13.064 4.678 -8.396 1.00 51.11 H new ATOM 0 HG11 VAL A 11 13.127 5.480 -10.775 1.00 64.04 H new ATOM 0 HG12 VAL A 11 14.105 4.012 -10.535 1.00 64.04 H new ATOM 0 HG13 VAL A 11 12.504 3.899 -11.304 1.00 64.04 H new ATOM 0 HG21 VAL A 11 11.156 5.953 -9.367 1.00 65.22 H new ATOM 0 HG22 VAL A 11 10.373 4.416 -9.807 1.00 65.22 H new ATOM 0 HG23 VAL A 11 10.639 4.821 -8.095 1.00 65.22 H new ATOM 157 N ILE A 12 12.725 2.380 -6.377 1.00 52.03 N ATOM 158 CA ILE A 12 12.390 2.107 -4.971 1.00 73.20 C ATOM 159 C ILE A 12 12.269 3.447 -4.224 1.00 1.15 C ATOM 160 O ILE A 12 13.275 4.052 -3.827 1.00 54.42 O ATOM 161 CB ILE A 12 13.478 1.190 -4.280 1.00 13.54 C ATOM 162 CG1 ILE A 12 13.769 -0.090 -5.131 1.00 12.53 C ATOM 163 CG2 ILE A 12 13.067 0.810 -2.835 1.00 63.51 C ATOM 164 CD1 ILE A 12 12.594 -1.036 -5.329 1.00 13.14 C ATOM 0 H ILE A 12 13.725 2.499 -6.540 1.00 52.03 H new ATOM 0 HA ILE A 12 11.443 1.568 -4.933 1.00 73.20 H new ATOM 0 HB ILE A 12 14.399 1.771 -4.222 1.00 13.54 H new ATOM 0 HG12 ILE A 12 14.128 0.223 -6.111 1.00 12.53 H new ATOM 0 HG13 ILE A 12 14.580 -0.642 -4.656 1.00 12.53 H new ATOM 0 HG21 ILE A 12 13.838 0.180 -2.391 1.00 63.51 H new ATOM 0 HG22 ILE A 12 12.951 1.716 -2.240 1.00 63.51 H new ATOM 0 HG23 ILE A 12 12.122 0.267 -2.856 1.00 63.51 H new ATOM 0 HD11 ILE A 12 12.910 -1.887 -5.933 1.00 13.14 H new ATOM 0 HD12 ILE A 12 12.244 -1.389 -4.359 1.00 13.14 H new ATOM 0 HD13 ILE A 12 11.786 -0.511 -5.837 1.00 13.14 H new ATOM 176 N LEU A 13 11.033 3.931 -4.092 1.00 13.12 N ATOM 177 CA LEU A 13 10.736 5.209 -3.433 1.00 15.10 C ATOM 178 C LEU A 13 10.276 4.960 -2.009 1.00 55.25 C ATOM 179 O LEU A 13 9.116 4.620 -1.777 1.00 33.50 O ATOM 180 CB LEU A 13 9.646 5.971 -4.208 1.00 55.02 C ATOM 181 CG LEU A 13 9.942 6.217 -5.705 1.00 11.13 C ATOM 182 CD1 LEU A 13 8.781 6.973 -6.358 1.00 1.34 C ATOM 183 CD2 LEU A 13 11.299 6.942 -5.912 1.00 5.31 C ATOM 0 H LEU A 13 10.205 3.448 -4.440 1.00 13.12 H new ATOM 0 HA LEU A 13 11.643 5.814 -3.418 1.00 15.10 H new ATOM 0 HB2 LEU A 13 8.712 5.416 -4.127 1.00 55.02 H new ATOM 0 HB3 LEU A 13 9.487 6.935 -3.724 1.00 55.02 H new ATOM 0 HG LEU A 13 10.033 5.249 -6.199 1.00 11.13 H new ATOM 0 HD11 LEU A 13 9.002 7.140 -7.412 1.00 1.34 H new ATOM 0 HD12 LEU A 13 7.867 6.385 -6.268 1.00 1.34 H new ATOM 0 HD13 LEU A 13 8.646 7.933 -5.860 1.00 1.34 H new ATOM 0 HD21 LEU A 13 11.470 7.096 -6.977 1.00 5.31 H new ATOM 0 HD22 LEU A 13 11.277 7.906 -5.404 1.00 5.31 H new ATOM 0 HD23 LEU A 13 12.104 6.333 -5.500 1.00 5.31 H new ATOM 195 N GLU A 14 11.188 5.104 -1.053 1.00 20.00 N ATOM 196 CA GLU A 14 10.859 4.916 0.353 1.00 22.33 C ATOM 197 C GLU A 14 10.429 6.236 0.987 1.00 31.35 C ATOM 198 O GLU A 14 10.919 7.306 0.623 1.00 63.35 O ATOM 199 CB GLU A 14 12.039 4.303 1.120 1.00 51.15 C ATOM 200 CG GLU A 14 13.366 5.077 1.053 1.00 5.40 C ATOM 201 CD GLU A 14 14.372 4.598 2.106 1.00 73.21 C ATOM 202 OE1 GLU A 14 14.920 3.487 1.955 1.00 65.01 O ATOM 203 OE2 GLU A 14 14.562 5.300 3.128 1.00 5.43 O ATOM 0 H GLU A 14 12.162 5.351 -1.228 1.00 20.00 H new ATOM 0 HA GLU A 14 10.023 4.219 0.412 1.00 22.33 H new ATOM 0 HB2 GLU A 14 11.753 4.203 2.167 1.00 51.15 H new ATOM 0 HB3 GLU A 14 12.210 3.296 0.739 1.00 51.15 H new ATOM 0 HG2 GLU A 14 13.801 4.963 0.060 1.00 5.40 H new ATOM 0 HG3 GLU A 14 13.172 6.140 1.196 1.00 5.40 H new ATOM 210 N LEU A 15 9.472 6.147 1.908 1.00 22.35 N ATOM 211 CA LEU A 15 9.044 7.265 2.738 1.00 52.51 C ATOM 212 C LEU A 15 8.527 6.731 4.076 1.00 54.10 C ATOM 213 O LEU A 15 7.657 5.851 4.119 1.00 12.41 O ATOM 214 CB LEU A 15 8.010 8.187 1.989 1.00 74.12 C ATOM 215 CG LEU A 15 7.000 7.495 1.010 1.00 71.00 C ATOM 216 CD1 LEU A 15 5.865 6.751 1.745 1.00 55.24 C ATOM 217 CD2 LEU A 15 6.438 8.497 -0.027 1.00 24.51 C ATOM 0 H LEU A 15 8.966 5.282 2.100 1.00 22.35 H new ATOM 0 HA LEU A 15 9.897 7.911 2.946 1.00 52.51 H new ATOM 0 HB2 LEU A 15 7.434 8.726 2.741 1.00 74.12 H new ATOM 0 HB3 LEU A 15 8.571 8.931 1.423 1.00 74.12 H new ATOM 0 HG LEU A 15 7.568 6.736 0.472 1.00 71.00 H new ATOM 0 HD11 LEU A 15 5.198 6.293 1.015 1.00 55.24 H new ATOM 0 HD12 LEU A 15 6.291 5.977 2.384 1.00 55.24 H new ATOM 0 HD13 LEU A 15 5.303 7.457 2.356 1.00 55.24 H new ATOM 0 HD21 LEU A 15 5.741 7.983 -0.689 1.00 24.51 H new ATOM 0 HD22 LEU A 15 5.919 9.303 0.491 1.00 24.51 H new ATOM 0 HD23 LEU A 15 7.258 8.911 -0.614 1.00 24.51 H new ATOM 229 N THR A 16 9.122 7.214 5.166 1.00 21.13 N ATOM 230 CA THR A 16 8.693 6.876 6.522 1.00 45.20 C ATOM 231 C THR A 16 7.626 7.873 6.924 1.00 73.35 C ATOM 232 O THR A 16 7.934 9.027 7.189 1.00 1.03 O ATOM 233 CB THR A 16 9.875 6.914 7.546 1.00 43.40 C ATOM 234 OG1 THR A 16 10.906 6.003 7.121 1.00 31.23 O ATOM 235 CG2 THR A 16 9.411 6.527 8.968 1.00 24.04 C ATOM 0 H THR A 16 9.917 7.852 5.133 1.00 21.13 H new ATOM 0 HA THR A 16 8.308 5.856 6.530 1.00 45.20 H new ATOM 0 HB THR A 16 10.257 7.934 7.579 1.00 43.40 H new ATOM 0 HG1 THR A 16 11.648 6.027 7.761 1.00 31.23 H new ATOM 0 HG21 THR A 16 10.260 6.565 9.651 1.00 24.04 H new ATOM 0 HG22 THR A 16 8.644 7.225 9.303 1.00 24.04 H new ATOM 0 HG23 THR A 16 9.001 5.517 8.955 1.00 24.04 H new ATOM 243 N VAL A 17 6.369 7.446 6.879 1.00 61.31 N ATOM 244 CA VAL A 17 5.238 8.269 7.308 1.00 2.40 C ATOM 245 C VAL A 17 4.811 7.829 8.706 1.00 74.10 C ATOM 246 O VAL A 17 5.054 6.686 9.097 1.00 74.53 O ATOM 247 CB VAL A 17 4.021 8.200 6.305 1.00 65.33 C ATOM 248 CG1 VAL A 17 4.500 8.382 4.844 1.00 72.52 C ATOM 249 CG2 VAL A 17 3.179 6.906 6.468 1.00 71.32 C ATOM 0 H VAL A 17 6.103 6.520 6.545 1.00 61.31 H new ATOM 0 HA VAL A 17 5.561 9.310 7.323 1.00 2.40 H new ATOM 0 HB VAL A 17 3.358 9.028 6.555 1.00 65.33 H new ATOM 0 HG11 VAL A 17 3.644 8.331 4.171 1.00 72.52 H new ATOM 0 HG12 VAL A 17 4.987 9.352 4.739 1.00 72.52 H new ATOM 0 HG13 VAL A 17 5.207 7.592 4.592 1.00 72.52 H new ATOM 0 HG21 VAL A 17 2.357 6.914 5.753 1.00 71.32 H new ATOM 0 HG22 VAL A 17 3.810 6.036 6.286 1.00 71.32 H new ATOM 0 HG23 VAL A 17 2.778 6.858 7.481 1.00 71.32 H new ATOM 259 N ARG A 18 4.230 8.742 9.483 1.00 33.05 N ATOM 260 CA ARG A 18 3.567 8.385 10.737 1.00 54.50 C ATOM 261 C ARG A 18 2.055 8.395 10.515 1.00 1.14 C ATOM 262 O ARG A 18 1.540 9.210 9.735 1.00 34.05 O ATOM 263 CB ARG A 18 4.012 9.302 11.891 1.00 63.53 C ATOM 264 CG ARG A 18 3.783 10.814 11.695 1.00 20.52 C ATOM 265 CD ARG A 18 4.301 11.614 12.904 1.00 41.31 C ATOM 266 NE ARG A 18 3.772 11.065 14.177 1.00 35.54 N ATOM 267 CZ ARG A 18 4.224 11.366 15.403 1.00 50.41 C ATOM 268 NH1 ARG A 18 5.217 12.245 15.573 1.00 60.31 N ATOM 269 NH2 ARG A 18 3.710 10.745 16.457 1.00 0.52 N ATOM 0 H ARG A 18 4.205 9.738 9.265 1.00 33.05 H new ATOM 0 HA ARG A 18 3.861 7.379 11.038 1.00 54.50 H new ATOM 0 HB2 ARG A 18 3.488 8.992 12.795 1.00 63.53 H new ATOM 0 HB3 ARG A 18 5.075 9.138 12.067 1.00 63.53 H new ATOM 0 HG2 ARG A 18 4.290 11.148 10.790 1.00 20.52 H new ATOM 0 HG3 ARG A 18 2.720 11.009 11.555 1.00 20.52 H new ATOM 0 HD2 ARG A 18 5.391 11.590 12.919 1.00 41.31 H new ATOM 0 HD3 ARG A 18 4.007 12.659 12.805 1.00 41.31 H new ATOM 0 HE ARG A 18 2.999 10.402 14.114 1.00 35.54 H new ATOM 0 HH11 ARG A 18 5.642 12.697 14.763 1.00 60.31 H new ATOM 0 HH12 ARG A 18 5.550 12.463 16.512 1.00 60.31 H new ATOM 0 HH21 ARG A 18 2.978 10.046 16.330 1.00 0.52 H new ATOM 0 HH22 ARG A 18 4.047 10.967 17.394 1.00 0.52 H new ATOM 283 N ASN A 19 1.360 7.477 11.202 1.00 3.23 N ATOM 284 CA ASN A 19 -0.040 7.127 10.907 1.00 21.14 C ATOM 285 C ASN A 19 -1.024 8.228 11.359 1.00 5.15 C ATOM 286 O ASN A 19 -1.590 8.170 12.453 1.00 54.51 O ATOM 287 CB ASN A 19 -0.403 5.746 11.538 1.00 2.32 C ATOM 288 CG ASN A 19 0.343 4.556 10.906 1.00 54.52 C ATOM 289 OD1 ASN A 19 1.485 4.683 10.458 1.00 50.42 O ATOM 290 ND2 ASN A 19 -0.302 3.389 10.863 1.00 14.14 N ATOM 0 H ASN A 19 1.754 6.952 11.983 1.00 3.23 H new ATOM 0 HA ASN A 19 -0.137 7.047 9.824 1.00 21.14 H new ATOM 0 HB2 ASN A 19 -0.182 5.776 12.605 1.00 2.32 H new ATOM 0 HB3 ASN A 19 -1.476 5.583 11.439 1.00 2.32 H new ATOM 0 HD21 ASN A 19 0.149 2.572 10.452 1.00 14.14 H new ATOM 0 HD22 ASN A 19 -1.246 3.314 11.242 1.00 14.14 H new ATOM 297 N HIS A 20 -1.155 9.270 10.518 1.00 52.13 N ATOM 298 CA HIS A 20 -2.256 10.244 10.594 1.00 40.24 C ATOM 299 C HIS A 20 -3.425 9.682 9.736 1.00 42.31 C ATOM 300 O HIS A 20 -3.174 8.843 8.855 1.00 2.44 O ATOM 301 CB HIS A 20 -1.808 11.649 10.069 1.00 24.25 C ATOM 302 CG HIS A 20 -0.594 12.253 10.747 1.00 3.13 C ATOM 303 ND1 HIS A 20 0.258 13.141 10.113 1.00 11.54 N ATOM 304 CD2 HIS A 20 -0.105 12.111 11.999 1.00 71.41 C ATOM 305 CE1 HIS A 20 1.211 13.510 10.944 1.00 14.12 C ATOM 306 NE2 HIS A 20 1.016 12.901 12.096 1.00 34.01 N ATOM 0 H HIS A 20 -0.496 9.460 9.763 1.00 52.13 H new ATOM 0 HA HIS A 20 -2.568 10.382 11.629 1.00 40.24 H new ATOM 0 HB2 HIS A 20 -1.601 11.568 9.002 1.00 24.25 H new ATOM 0 HB3 HIS A 20 -2.643 12.340 10.180 1.00 24.25 H new ATOM 0 HD2 HIS A 20 -0.519 11.491 12.780 1.00 71.41 H new ATOM 0 HE1 HIS A 20 2.015 14.195 10.719 1.00 14.12 H new ATOM 0 HE2 HIS A 20 1.602 13.000 12.925 1.00 34.01 H new ATOM 315 N PRO A 21 -4.709 10.070 10.004 1.00 30.24 N ATOM 316 CA PRO A 21 -5.888 9.569 9.241 1.00 3.22 C ATOM 317 C PRO A 21 -5.756 9.678 7.690 1.00 51.12 C ATOM 318 O PRO A 21 -5.865 10.770 7.124 1.00 62.20 O ATOM 319 CB PRO A 21 -7.047 10.446 9.777 1.00 21.02 C ATOM 320 CG PRO A 21 -6.632 10.818 11.165 1.00 63.01 C ATOM 321 CD PRO A 21 -5.132 10.987 11.104 1.00 51.34 C ATOM 0 HA PRO A 21 -6.028 8.498 9.391 1.00 3.22 H new ATOM 0 HB2 PRO A 21 -7.193 11.331 9.157 1.00 21.02 H new ATOM 0 HB3 PRO A 21 -7.990 9.899 9.779 1.00 21.02 H new ATOM 0 HG2 PRO A 21 -7.118 11.739 11.487 1.00 63.01 H new ATOM 0 HG3 PRO A 21 -6.911 10.044 11.879 1.00 63.01 H new ATOM 0 HD2 PRO A 21 -4.855 12.020 10.891 1.00 51.34 H new ATOM 0 HD3 PRO A 21 -4.661 10.719 12.050 1.00 51.34 H new ATOM 329 N GLY A 22 -5.471 8.526 7.036 1.00 14.22 N ATOM 330 CA GLY A 22 -5.481 8.412 5.568 1.00 43.15 C ATOM 331 C GLY A 22 -4.242 8.956 4.876 1.00 74.52 C ATOM 332 O GLY A 22 -4.343 9.679 3.874 1.00 3.40 O ATOM 0 H GLY A 22 -5.230 7.658 7.513 1.00 14.22 H new ATOM 0 HA2 GLY A 22 -5.597 7.362 5.300 1.00 43.15 H new ATOM 0 HA3 GLY A 22 -6.355 8.938 5.183 1.00 43.15 H new ATOM 336 N VAL A 23 -3.064 8.592 5.402 1.00 72.13 N ATOM 337 CA VAL A 23 -1.762 8.983 4.817 1.00 23.02 C ATOM 338 C VAL A 23 -1.320 8.024 3.706 1.00 14.52 C ATOM 339 O VAL A 23 -0.586 8.416 2.795 1.00 41.34 O ATOM 340 CB VAL A 23 -0.669 9.146 5.922 1.00 34.41 C ATOM 341 CG1 VAL A 23 -1.099 10.258 6.893 1.00 71.11 C ATOM 342 CG2 VAL A 23 -0.385 7.826 6.679 1.00 1.31 C ATOM 0 H VAL A 23 -2.981 8.020 6.242 1.00 72.13 H new ATOM 0 HA VAL A 23 -1.896 9.958 4.348 1.00 23.02 H new ATOM 0 HB VAL A 23 0.267 9.421 5.436 1.00 34.41 H new ATOM 0 HG11 VAL A 23 -0.341 10.378 7.667 1.00 71.11 H new ATOM 0 HG12 VAL A 23 -1.211 11.195 6.347 1.00 71.11 H new ATOM 0 HG13 VAL A 23 -2.050 9.991 7.354 1.00 71.11 H new ATOM 0 HG21 VAL A 23 0.382 7.998 7.434 1.00 1.31 H new ATOM 0 HG22 VAL A 23 -1.299 7.480 7.162 1.00 1.31 H new ATOM 0 HG23 VAL A 23 -0.038 7.070 5.975 1.00 1.31 H new ATOM 352 N MET A 24 -1.782 6.766 3.790 1.00 63.53 N ATOM 353 CA MET A 24 -1.587 5.760 2.725 1.00 1.15 C ATOM 354 C MET A 24 -2.293 6.222 1.427 1.00 20.01 C ATOM 355 O MET A 24 -1.842 5.941 0.310 1.00 43.44 O ATOM 356 CB MET A 24 -2.138 4.374 3.170 1.00 61.22 C ATOM 357 CG MET A 24 -1.526 3.810 4.465 1.00 10.23 C ATOM 358 SD MET A 24 -2.000 4.751 5.935 1.00 15.22 S ATOM 359 CE MET A 24 -0.980 3.988 7.199 1.00 3.23 C ATOM 0 H MET A 24 -2.301 6.415 4.595 1.00 63.53 H new ATOM 0 HA MET A 24 -0.519 5.659 2.534 1.00 1.15 H new ATOM 0 HB2 MET A 24 -3.217 4.455 3.302 1.00 61.22 H new ATOM 0 HB3 MET A 24 -1.969 3.658 2.365 1.00 61.22 H new ATOM 0 HG2 MET A 24 -1.839 2.773 4.587 1.00 10.23 H new ATOM 0 HG3 MET A 24 -0.440 3.807 4.376 1.00 10.23 H new ATOM 0 HE1 MET A 24 -1.327 4.300 8.184 1.00 3.23 H new ATOM 0 HE2 MET A 24 -1.050 2.903 7.117 1.00 3.23 H new ATOM 0 HE3 MET A 24 0.057 4.296 7.065 1.00 3.23 H new ATOM 369 N THR A 25 -3.402 6.958 1.613 1.00 74.51 N ATOM 370 CA THR A 25 -4.205 7.530 0.518 1.00 33.14 C ATOM 371 C THR A 25 -3.414 8.611 -0.252 1.00 52.13 C ATOM 372 O THR A 25 -3.642 8.815 -1.447 1.00 1.00 O ATOM 373 CB THR A 25 -5.538 8.119 1.090 1.00 32.53 C ATOM 374 OG1 THR A 25 -6.080 7.202 2.054 1.00 2.55 O ATOM 375 CG2 THR A 25 -6.594 8.366 -0.007 1.00 4.11 C ATOM 0 H THR A 25 -3.771 7.175 2.539 1.00 74.51 H new ATOM 0 HA THR A 25 -4.443 6.734 -0.188 1.00 33.14 H new ATOM 0 HB THR A 25 -5.301 9.080 1.546 1.00 32.53 H new ATOM 0 HG1 THR A 25 -6.914 7.565 2.418 1.00 2.55 H new ATOM 0 HG21 THR A 25 -7.498 8.774 0.444 1.00 4.11 H new ATOM 0 HG22 THR A 25 -6.201 9.073 -0.737 1.00 4.11 H new ATOM 0 HG23 THR A 25 -6.830 7.425 -0.504 1.00 4.11 H new ATOM 383 N HIS A 26 -2.478 9.292 0.453 1.00 2.33 N ATOM 384 CA HIS A 26 -1.636 10.356 -0.142 1.00 1.10 C ATOM 385 C HIS A 26 -0.737 9.780 -1.246 1.00 33.14 C ATOM 386 O HIS A 26 -0.789 10.236 -2.388 1.00 14.42 O ATOM 387 CB HIS A 26 -0.756 11.066 0.931 1.00 21.42 C ATOM 388 CG HIS A 26 -1.531 11.733 2.051 1.00 21.44 C ATOM 389 ND1 HIS A 26 -0.992 11.998 3.295 1.00 20.01 N ATOM 390 CD2 HIS A 26 -2.808 12.191 2.102 1.00 44.23 C ATOM 391 CE1 HIS A 26 -1.910 12.575 4.054 1.00 72.14 C ATOM 392 NE2 HIS A 26 -3.014 12.705 3.357 1.00 10.15 N ATOM 0 H HIS A 26 -2.287 9.121 1.440 1.00 2.33 H new ATOM 0 HA HIS A 26 -2.311 11.096 -0.573 1.00 1.10 H new ATOM 0 HB2 HIS A 26 -0.076 10.333 1.365 1.00 21.42 H new ATOM 0 HB3 HIS A 26 -0.141 11.818 0.436 1.00 21.42 H new ATOM 0 HD1 HIS A 26 -0.037 11.783 3.583 1.00 20.01 H new ATOM 0 HD2 HIS A 26 -3.531 12.157 1.300 1.00 44.23 H new ATOM 0 HE1 HIS A 26 -1.773 12.887 5.079 1.00 72.14 H new ATOM 401 N VAL A 27 0.065 8.752 -0.889 1.00 44.00 N ATOM 402 CA VAL A 27 1.026 8.126 -1.828 1.00 41.24 C ATOM 403 C VAL A 27 0.288 7.483 -3.026 1.00 72.32 C ATOM 404 O VAL A 27 0.668 7.694 -4.185 1.00 1.24 O ATOM 405 CB VAL A 27 1.975 7.080 -1.106 1.00 5.20 C ATOM 406 CG1 VAL A 27 2.740 7.749 0.056 1.00 32.24 C ATOM 407 CG2 VAL A 27 1.218 5.819 -0.604 1.00 61.33 C ATOM 0 H VAL A 27 0.067 8.337 0.043 1.00 44.00 H new ATOM 0 HA VAL A 27 1.667 8.920 -2.210 1.00 41.24 H new ATOM 0 HB VAL A 27 2.688 6.740 -1.857 1.00 5.20 H new ATOM 0 HG11 VAL A 27 3.385 7.014 0.538 1.00 32.24 H new ATOM 0 HG12 VAL A 27 3.348 8.567 -0.331 1.00 32.24 H new ATOM 0 HG13 VAL A 27 2.028 8.139 0.783 1.00 32.24 H new ATOM 0 HG21 VAL A 27 1.921 5.142 -0.119 1.00 61.33 H new ATOM 0 HG22 VAL A 27 0.450 6.116 0.110 1.00 61.33 H new ATOM 0 HG23 VAL A 27 0.752 5.314 -1.450 1.00 61.33 H new ATOM 417 N CYS A 28 -0.818 6.778 -2.723 1.00 24.51 N ATOM 418 CA CYS A 28 -1.659 6.115 -3.729 1.00 55.33 C ATOM 419 C CYS A 28 -2.297 7.144 -4.685 1.00 63.44 C ATOM 420 O CYS A 28 -2.457 6.867 -5.875 1.00 63.43 O ATOM 421 CB CYS A 28 -2.741 5.282 -3.020 1.00 4.12 C ATOM 422 SG CYS A 28 -2.083 3.952 -1.992 1.00 14.42 S ATOM 0 H CYS A 28 -1.152 6.654 -1.767 1.00 24.51 H new ATOM 0 HA CYS A 28 -1.035 5.454 -4.331 1.00 55.33 H new ATOM 0 HB2 CYS A 28 -3.346 5.943 -2.399 1.00 4.12 H new ATOM 0 HB3 CYS A 28 -3.405 4.853 -3.770 1.00 4.12 H new ATOM 0 HG CYS A 28 -3.065 3.257 -1.500 1.00 14.42 H new ATOM 428 N GLY A 29 -2.629 8.332 -4.137 1.00 50.30 N ATOM 429 CA GLY A 29 -3.233 9.428 -4.906 1.00 35.11 C ATOM 430 C GLY A 29 -2.264 10.045 -5.916 1.00 71.01 C ATOM 431 O GLY A 29 -2.656 10.356 -7.048 1.00 4.32 O ATOM 0 H GLY A 29 -2.484 8.553 -3.152 1.00 50.30 H new ATOM 0 HA2 GLY A 29 -4.112 9.056 -5.433 1.00 35.11 H new ATOM 0 HA3 GLY A 29 -3.577 10.202 -4.219 1.00 35.11 H new ATOM 435 N LEU A 30 -0.989 10.207 -5.499 1.00 4.34 N ATOM 436 CA LEU A 30 0.073 10.819 -6.340 1.00 14.32 C ATOM 437 C LEU A 30 0.390 9.950 -7.569 1.00 43.02 C ATOM 438 O LEU A 30 0.427 10.457 -8.693 1.00 24.03 O ATOM 439 CB LEU A 30 1.364 11.124 -5.502 1.00 31.51 C ATOM 440 CG LEU A 30 1.444 12.561 -4.880 1.00 50.14 C ATOM 441 CD1 LEU A 30 1.437 13.650 -5.981 1.00 41.53 C ATOM 442 CD2 LEU A 30 0.320 12.805 -3.847 1.00 72.12 C ATOM 0 H LEU A 30 -0.664 9.920 -4.576 1.00 4.34 H new ATOM 0 HA LEU A 30 -0.310 11.772 -6.706 1.00 14.32 H new ATOM 0 HB2 LEU A 30 1.433 10.394 -4.695 1.00 31.51 H new ATOM 0 HB3 LEU A 30 2.234 10.975 -6.141 1.00 31.51 H new ATOM 0 HG LEU A 30 2.393 12.628 -4.347 1.00 50.14 H new ATOM 0 HD11 LEU A 30 1.493 14.635 -5.518 1.00 41.53 H new ATOM 0 HD12 LEU A 30 2.295 13.508 -6.639 1.00 41.53 H new ATOM 0 HD13 LEU A 30 0.518 13.574 -6.562 1.00 41.53 H new ATOM 0 HD21 LEU A 30 0.412 13.812 -3.440 1.00 72.12 H new ATOM 0 HD22 LEU A 30 -0.650 12.697 -4.332 1.00 72.12 H new ATOM 0 HD23 LEU A 30 0.404 12.078 -3.039 1.00 72.12 H new ATOM 454 N PHE A 31 0.597 8.645 -7.343 1.00 71.13 N ATOM 455 CA PHE A 31 0.949 7.693 -8.427 1.00 61.42 C ATOM 456 C PHE A 31 -0.255 7.392 -9.335 1.00 64.20 C ATOM 457 O PHE A 31 -0.080 7.079 -10.520 1.00 21.11 O ATOM 458 CB PHE A 31 1.574 6.406 -7.842 1.00 61.01 C ATOM 459 CG PHE A 31 2.873 6.690 -7.074 1.00 34.42 C ATOM 460 CD1 PHE A 31 3.994 7.201 -7.735 1.00 2.30 C ATOM 461 CD2 PHE A 31 2.964 6.493 -5.700 1.00 71.13 C ATOM 462 CE1 PHE A 31 5.155 7.492 -7.044 1.00 74.31 C ATOM 463 CE2 PHE A 31 4.120 6.790 -5.011 1.00 40.12 C ATOM 464 CZ PHE A 31 5.218 7.286 -5.681 1.00 65.55 C ATOM 0 H PHE A 31 0.529 8.216 -6.420 1.00 71.13 H new ATOM 0 HA PHE A 31 1.701 8.166 -9.059 1.00 61.42 H new ATOM 0 HB2 PHE A 31 0.857 5.926 -7.175 1.00 61.01 H new ATOM 0 HB3 PHE A 31 1.778 5.703 -8.650 1.00 61.01 H new ATOM 0 HD1 PHE A 31 3.952 7.371 -8.801 1.00 2.30 H new ATOM 0 HD2 PHE A 31 2.113 6.100 -5.163 1.00 71.13 H new ATOM 0 HE1 PHE A 31 6.014 7.881 -7.571 1.00 74.31 H new ATOM 0 HE2 PHE A 31 4.166 6.634 -3.943 1.00 40.12 H new ATOM 0 HZ PHE A 31 6.125 7.513 -5.141 1.00 65.55 H new ATOM 474 N ALA A 32 -1.469 7.501 -8.763 1.00 43.41 N ATOM 475 CA ALA A 32 -2.735 7.393 -9.515 1.00 31.43 C ATOM 476 C ALA A 32 -2.817 8.483 -10.602 1.00 13.41 C ATOM 477 O ALA A 32 -2.926 8.180 -11.794 1.00 1.30 O ATOM 478 CB ALA A 32 -3.934 7.523 -8.559 1.00 12.21 C ATOM 0 H ALA A 32 -1.600 7.667 -7.765 1.00 43.41 H new ATOM 0 HA ALA A 32 -2.763 6.415 -9.996 1.00 31.43 H new ATOM 0 HB1 ALA A 32 -4.862 7.442 -9.126 1.00 12.21 H new ATOM 0 HB2 ALA A 32 -3.893 6.728 -7.814 1.00 12.21 H new ATOM 0 HB3 ALA A 32 -3.898 8.491 -8.059 1.00 12.21 H new ATOM 484 N ARG A 33 -2.703 9.751 -10.158 1.00 44.42 N ATOM 485 CA ARG A 33 -2.845 10.951 -11.026 1.00 61.12 C ATOM 486 C ARG A 33 -1.585 11.191 -11.882 1.00 0.10 C ATOM 487 O ARG A 33 -1.571 12.092 -12.733 1.00 10.20 O ATOM 488 CB ARG A 33 -3.137 12.199 -10.145 1.00 50.04 C ATOM 489 CG ARG A 33 -1.957 12.648 -9.246 1.00 23.12 C ATOM 490 CD ARG A 33 -2.355 13.736 -8.238 1.00 42.52 C ATOM 491 NE ARG A 33 -2.879 14.946 -8.903 1.00 73.10 N ATOM 492 CZ ARG A 33 -3.841 15.749 -8.421 1.00 3.21 C ATOM 493 NH1 ARG A 33 -4.418 15.498 -7.250 1.00 44.11 N ATOM 494 NH2 ARG A 33 -4.212 16.812 -9.114 1.00 61.40 N ATOM 0 H ARG A 33 -2.509 9.979 -9.183 1.00 44.42 H new ATOM 0 HA ARG A 33 -3.677 10.777 -11.709 1.00 61.12 H new ATOM 0 HB2 ARG A 33 -3.417 13.028 -10.795 1.00 50.04 H new ATOM 0 HB3 ARG A 33 -3.998 11.986 -9.511 1.00 50.04 H new ATOM 0 HG2 ARG A 33 -1.569 11.784 -8.706 1.00 23.12 H new ATOM 0 HG3 ARG A 33 -1.149 13.021 -9.875 1.00 23.12 H new ATOM 0 HD2 ARG A 33 -3.110 13.341 -7.558 1.00 42.52 H new ATOM 0 HD3 ARG A 33 -1.489 14.002 -7.632 1.00 42.52 H new ATOM 0 HE ARG A 33 -2.475 15.193 -9.807 1.00 73.10 H new ATOM 0 HH11 ARG A 33 -4.131 14.686 -6.704 1.00 44.11 H new ATOM 0 HH12 ARG A 33 -5.147 16.118 -6.898 1.00 44.11 H new ATOM 0 HH21 ARG A 33 -3.768 17.018 -10.009 1.00 61.40 H new ATOM 0 HH22 ARG A 33 -4.942 17.426 -8.754 1.00 61.40 H new ATOM 508 N ARG A 34 -0.535 10.384 -11.642 1.00 24.40 N ATOM 509 CA ARG A 34 0.760 10.523 -12.299 1.00 33.15 C ATOM 510 C ARG A 34 0.638 10.128 -13.777 1.00 33.23 C ATOM 511 O ARG A 34 0.722 10.991 -14.658 1.00 64.13 O ATOM 512 CB ARG A 34 1.822 9.690 -11.513 1.00 22.34 C ATOM 513 CG ARG A 34 3.304 9.887 -11.924 1.00 11.33 C ATOM 514 CD ARG A 34 3.748 8.937 -13.041 1.00 72.12 C ATOM 515 NE ARG A 34 3.658 7.522 -12.627 1.00 52.30 N ATOM 516 CZ ARG A 34 4.209 6.492 -13.283 1.00 15.30 C ATOM 517 NH1 ARG A 34 4.885 6.681 -14.397 1.00 55.44 N ATOM 518 NH2 ARG A 34 4.061 5.273 -12.819 1.00 3.02 N ATOM 0 H ARG A 34 -0.571 9.611 -10.977 1.00 24.40 H new ATOM 0 HA ARG A 34 1.096 11.560 -12.288 1.00 33.15 H new ATOM 0 HB2 ARG A 34 1.728 9.931 -10.454 1.00 22.34 H new ATOM 0 HB3 ARG A 34 1.576 8.634 -11.623 1.00 22.34 H new ATOM 0 HG2 ARG A 34 3.451 10.916 -12.251 1.00 11.33 H new ATOM 0 HG3 ARG A 34 3.940 9.736 -11.052 1.00 11.33 H new ATOM 0 HD2 ARG A 34 3.128 9.098 -13.923 1.00 72.12 H new ATOM 0 HD3 ARG A 34 4.774 9.167 -13.327 1.00 72.12 H new ATOM 0 HE ARG A 34 3.136 7.313 -11.776 1.00 52.30 H new ATOM 0 HH11 ARG A 34 4.996 7.623 -14.773 1.00 55.44 H new ATOM 0 HH12 ARG A 34 5.298 5.886 -14.884 1.00 55.44 H new ATOM 0 HH21 ARG A 34 3.529 5.114 -11.963 1.00 3.02 H new ATOM 0 HH22 ARG A 34 4.478 4.485 -13.314 1.00 3.02 H new ATOM 532 N ALA A 35 0.397 8.827 -14.020 1.00 33.01 N ATOM 533 CA ALA A 35 0.283 8.252 -15.378 1.00 54.01 C ATOM 534 C ALA A 35 -0.003 6.756 -15.273 1.00 12.44 C ATOM 535 O ALA A 35 -1.002 6.257 -15.791 1.00 32.02 O ATOM 536 CB ALA A 35 1.566 8.496 -16.206 1.00 31.22 C ATOM 0 H ALA A 35 0.275 8.139 -13.277 1.00 33.01 H new ATOM 0 HA ALA A 35 -0.539 8.747 -15.894 1.00 54.01 H new ATOM 0 HB1 ALA A 35 1.447 8.060 -17.198 1.00 31.22 H new ATOM 0 HB2 ALA A 35 1.741 9.568 -16.299 1.00 31.22 H new ATOM 0 HB3 ALA A 35 2.416 8.032 -15.705 1.00 31.22 H new ATOM 542 N PHE A 36 0.894 6.061 -14.570 1.00 73.33 N ATOM 543 CA PHE A 36 0.848 4.607 -14.377 1.00 10.12 C ATOM 544 C PHE A 36 0.812 4.324 -12.863 1.00 54.14 C ATOM 545 O PHE A 36 1.385 5.090 -12.068 1.00 33.21 O ATOM 546 CB PHE A 36 2.089 3.971 -15.070 1.00 72.43 C ATOM 547 CG PHE A 36 2.184 2.442 -15.006 1.00 13.53 C ATOM 548 CD1 PHE A 36 1.465 1.644 -15.893 1.00 40.35 C ATOM 549 CD2 PHE A 36 3.000 1.806 -14.072 1.00 70.01 C ATOM 550 CE1 PHE A 36 1.559 0.265 -15.847 1.00 72.34 C ATOM 551 CE2 PHE A 36 3.094 0.432 -14.022 1.00 10.01 C ATOM 552 CZ PHE A 36 2.374 -0.342 -14.911 1.00 40.23 C ATOM 0 H PHE A 36 1.690 6.501 -14.109 1.00 73.33 H new ATOM 0 HA PHE A 36 -0.042 4.166 -14.826 1.00 10.12 H new ATOM 0 HB2 PHE A 36 2.089 4.272 -16.118 1.00 72.43 H new ATOM 0 HB3 PHE A 36 2.988 4.390 -14.618 1.00 72.43 H new ATOM 0 HD1 PHE A 36 0.825 2.109 -16.628 1.00 40.35 H new ATOM 0 HD2 PHE A 36 3.570 2.402 -13.374 1.00 70.01 H new ATOM 0 HE1 PHE A 36 0.995 -0.338 -16.543 1.00 72.34 H new ATOM 0 HE2 PHE A 36 3.731 -0.039 -13.288 1.00 10.01 H new ATOM 0 HZ PHE A 36 2.448 -1.419 -14.875 1.00 40.23 H new ATOM 562 N ASN A 37 0.143 3.229 -12.479 1.00 34.03 N ATOM 563 CA ASN A 37 -0.082 2.860 -11.060 1.00 4.14 C ATOM 564 C ASN A 37 1.198 2.307 -10.407 1.00 65.02 C ATOM 565 O ASN A 37 2.244 2.188 -11.056 1.00 33.40 O ATOM 566 CB ASN A 37 -1.219 1.808 -10.990 1.00 63.34 C ATOM 567 CG ASN A 37 -2.548 2.328 -11.537 1.00 42.31 C ATOM 568 OD1 ASN A 37 -2.935 3.472 -11.293 1.00 63.11 O ATOM 569 ND2 ASN A 37 -3.223 1.514 -12.330 1.00 14.34 N ATOM 0 H ASN A 37 -0.262 2.566 -13.140 1.00 34.03 H new ATOM 0 HA ASN A 37 -0.365 3.755 -10.507 1.00 4.14 H new ATOM 0 HB2 ASN A 37 -0.922 0.923 -11.552 1.00 63.34 H new ATOM 0 HB3 ASN A 37 -1.355 1.497 -9.954 1.00 63.34 H new ATOM 0 HD21 ASN A 37 -4.093 1.827 -12.761 1.00 14.34 H new ATOM 0 HD22 ASN A 37 -2.874 0.573 -12.511 1.00 14.34 H new ATOM 576 N VAL A 38 1.104 1.971 -9.107 1.00 73.11 N ATOM 577 CA VAL A 38 2.208 1.335 -8.380 1.00 22.51 C ATOM 578 C VAL A 38 2.234 -0.161 -8.733 1.00 23.31 C ATOM 579 O VAL A 38 1.182 -0.805 -8.823 1.00 42.54 O ATOM 580 CB VAL A 38 2.093 1.508 -6.816 1.00 4.04 C ATOM 581 CG1 VAL A 38 3.364 0.982 -6.108 1.00 44.10 C ATOM 582 CG2 VAL A 38 1.823 2.977 -6.437 1.00 21.25 C ATOM 0 H VAL A 38 0.271 2.132 -8.541 1.00 73.11 H new ATOM 0 HA VAL A 38 3.132 1.826 -8.684 1.00 22.51 H new ATOM 0 HB VAL A 38 1.245 0.914 -6.477 1.00 4.04 H new ATOM 0 HG11 VAL A 38 3.261 1.112 -5.031 1.00 44.10 H new ATOM 0 HG12 VAL A 38 3.495 -0.076 -6.335 1.00 44.10 H new ATOM 0 HG13 VAL A 38 4.233 1.539 -6.459 1.00 44.10 H new ATOM 0 HG21 VAL A 38 1.749 3.065 -5.353 1.00 21.25 H new ATOM 0 HG22 VAL A 38 2.641 3.602 -6.797 1.00 21.25 H new ATOM 0 HG23 VAL A 38 0.889 3.304 -6.893 1.00 21.25 H new ATOM 592 N GLU A 39 3.437 -0.684 -8.961 1.00 71.50 N ATOM 593 CA GLU A 39 3.672 -2.104 -9.214 1.00 32.23 C ATOM 594 C GLU A 39 3.537 -2.891 -7.892 1.00 51.12 C ATOM 595 O GLU A 39 2.717 -3.815 -7.777 1.00 24.54 O ATOM 596 CB GLU A 39 5.089 -2.261 -9.813 1.00 55.52 C ATOM 597 CG GLU A 39 5.509 -3.705 -10.116 1.00 70.10 C ATOM 598 CD GLU A 39 7.015 -3.833 -10.352 1.00 50.23 C ATOM 599 OE1 GLU A 39 7.482 -3.492 -11.456 1.00 22.43 O ATOM 600 OE2 GLU A 39 7.738 -4.263 -9.426 1.00 74.34 O ATOM 0 H GLU A 39 4.289 -0.124 -8.975 1.00 71.50 H new ATOM 0 HA GLU A 39 2.939 -2.499 -9.918 1.00 32.23 H new ATOM 0 HB2 GLU A 39 5.144 -1.682 -10.735 1.00 55.52 H new ATOM 0 HB3 GLU A 39 5.810 -1.827 -9.120 1.00 55.52 H new ATOM 0 HG2 GLU A 39 5.217 -4.348 -9.285 1.00 70.10 H new ATOM 0 HG3 GLU A 39 4.974 -4.060 -10.997 1.00 70.10 H new ATOM 607 N GLY A 40 4.327 -2.468 -6.886 1.00 43.35 N ATOM 608 CA GLY A 40 4.378 -3.146 -5.587 1.00 41.41 C ATOM 609 C GLY A 40 4.524 -2.169 -4.428 1.00 2.14 C ATOM 610 O GLY A 40 5.244 -1.183 -4.535 1.00 73.02 O ATOM 0 H GLY A 40 4.939 -1.655 -6.954 1.00 43.35 H new ATOM 0 HA2 GLY A 40 3.470 -3.734 -5.451 1.00 41.41 H new ATOM 0 HA3 GLY A 40 5.215 -3.845 -5.577 1.00 41.41 H new ATOM 614 N ILE A 41 3.831 -2.441 -3.312 1.00 71.22 N ATOM 615 CA ILE A 41 3.839 -1.580 -2.105 1.00 45.53 C ATOM 616 C ILE A 41 4.288 -2.422 -0.907 1.00 45.31 C ATOM 617 O ILE A 41 3.837 -3.566 -0.745 1.00 4.11 O ATOM 618 CB ILE A 41 2.409 -0.960 -1.797 1.00 32.04 C ATOM 619 CG1 ILE A 41 1.871 -0.145 -3.019 1.00 63.43 C ATOM 620 CG2 ILE A 41 2.419 -0.087 -0.513 1.00 52.11 C ATOM 621 CD1 ILE A 41 0.462 0.405 -2.855 1.00 60.13 C ATOM 0 H ILE A 41 3.243 -3.269 -3.214 1.00 71.22 H new ATOM 0 HA ILE A 41 4.524 -0.752 -2.286 1.00 45.53 H new ATOM 0 HB ILE A 41 1.731 -1.795 -1.619 1.00 32.04 H new ATOM 0 HG12 ILE A 41 2.550 0.687 -3.209 1.00 63.43 H new ATOM 0 HG13 ILE A 41 1.895 -0.784 -3.902 1.00 63.43 H new ATOM 0 HG21 ILE A 41 1.422 0.317 -0.340 1.00 52.11 H new ATOM 0 HG22 ILE A 41 2.716 -0.697 0.340 1.00 52.11 H new ATOM 0 HG23 ILE A 41 3.126 0.733 -0.636 1.00 52.11 H new ATOM 0 HD11 ILE A 41 0.179 0.954 -3.753 1.00 60.13 H new ATOM 0 HD12 ILE A 41 -0.234 -0.419 -2.699 1.00 60.13 H new ATOM 0 HD13 ILE A 41 0.431 1.075 -1.995 1.00 60.13 H new ATOM 633 N LEU A 42 5.159 -1.852 -0.071 1.00 30.31 N ATOM 634 CA LEU A 42 5.624 -2.494 1.155 1.00 50.32 C ATOM 635 C LEU A 42 5.545 -1.500 2.313 1.00 55.14 C ATOM 636 O LEU A 42 6.487 -0.758 2.571 1.00 5.55 O ATOM 637 CB LEU A 42 7.064 -3.030 0.977 1.00 54.01 C ATOM 638 CG LEU A 42 7.647 -3.797 2.202 1.00 0.43 C ATOM 639 CD1 LEU A 42 6.798 -5.034 2.554 1.00 65.34 C ATOM 640 CD2 LEU A 42 9.114 -4.180 1.963 1.00 73.24 C ATOM 0 H LEU A 42 5.562 -0.928 -0.229 1.00 30.31 H new ATOM 0 HA LEU A 42 4.982 -3.345 1.381 1.00 50.32 H new ATOM 0 HB2 LEU A 42 7.083 -3.693 0.112 1.00 54.01 H new ATOM 0 HB3 LEU A 42 7.721 -2.190 0.749 1.00 54.01 H new ATOM 0 HG LEU A 42 7.610 -3.124 3.059 1.00 0.43 H new ATOM 0 HD11 LEU A 42 7.235 -5.543 3.413 1.00 65.34 H new ATOM 0 HD12 LEU A 42 5.782 -4.721 2.796 1.00 65.34 H new ATOM 0 HD13 LEU A 42 6.775 -5.714 1.702 1.00 65.34 H new ATOM 0 HD21 LEU A 42 9.497 -4.714 2.833 1.00 73.24 H new ATOM 0 HD22 LEU A 42 9.184 -4.821 1.084 1.00 73.24 H new ATOM 0 HD23 LEU A 42 9.704 -3.278 1.803 1.00 73.24 H new ATOM 652 N CYS A 43 4.393 -1.473 2.982 1.00 12.14 N ATOM 653 CA CYS A 43 4.177 -0.660 4.179 1.00 14.02 C ATOM 654 C CYS A 43 4.587 -1.500 5.397 1.00 13.41 C ATOM 655 O CYS A 43 3.822 -2.348 5.861 1.00 2.31 O ATOM 656 CB CYS A 43 2.703 -0.211 4.243 1.00 13.33 C ATOM 657 SG CYS A 43 2.267 0.866 5.621 1.00 62.15 S ATOM 0 H CYS A 43 3.577 -2.019 2.707 1.00 12.14 H new ATOM 0 HA CYS A 43 4.782 0.247 4.160 1.00 14.02 H new ATOM 0 HB2 CYS A 43 2.460 0.304 3.314 1.00 13.33 H new ATOM 0 HB3 CYS A 43 2.074 -1.100 4.289 1.00 13.33 H new ATOM 0 HG CYS A 43 2.789 0.401 6.717 1.00 62.15 H new ATOM 663 N LEU A 44 5.845 -1.317 5.829 1.00 4.34 N ATOM 664 CA LEU A 44 6.453 -2.070 6.937 1.00 30.30 C ATOM 665 C LEU A 44 6.198 -1.308 8.257 1.00 31.34 C ATOM 666 O LEU A 44 6.788 -0.233 8.454 1.00 3.42 O ATOM 667 CB LEU A 44 7.979 -2.221 6.687 1.00 41.20 C ATOM 668 CG LEU A 44 8.735 -3.319 7.506 1.00 22.31 C ATOM 669 CD1 LEU A 44 8.483 -4.732 6.923 1.00 1.45 C ATOM 670 CD2 LEU A 44 10.249 -3.016 7.594 1.00 24.11 C ATOM 0 H LEU A 44 6.477 -0.633 5.413 1.00 4.34 H new ATOM 0 HA LEU A 44 6.011 -3.064 7.003 1.00 30.30 H new ATOM 0 HB2 LEU A 44 8.128 -2.428 5.627 1.00 41.20 H new ATOM 0 HB3 LEU A 44 8.451 -1.261 6.894 1.00 41.20 H new ATOM 0 HG LEU A 44 8.334 -3.302 8.520 1.00 22.31 H new ATOM 0 HD11 LEU A 44 9.022 -5.471 7.515 1.00 1.45 H new ATOM 0 HD12 LEU A 44 7.416 -4.952 6.952 1.00 1.45 H new ATOM 0 HD13 LEU A 44 8.833 -4.768 5.891 1.00 1.45 H new ATOM 0 HD21 LEU A 44 10.744 -3.798 8.170 1.00 24.11 H new ATOM 0 HD22 LEU A 44 10.672 -2.981 6.590 1.00 24.11 H new ATOM 0 HD23 LEU A 44 10.400 -2.054 8.085 1.00 24.11 H new ATOM 682 N PRO A 45 5.301 -1.816 9.163 1.00 30.12 N ATOM 683 CA PRO A 45 4.939 -1.102 10.408 1.00 43.44 C ATOM 684 C PRO A 45 6.146 -0.953 11.361 1.00 63.34 C ATOM 685 O PRO A 45 6.724 -1.953 11.816 1.00 42.14 O ATOM 686 CB PRO A 45 3.816 -1.984 11.020 1.00 21.45 C ATOM 687 CG PRO A 45 4.014 -3.345 10.425 1.00 32.11 C ATOM 688 CD PRO A 45 4.565 -3.108 9.038 1.00 62.22 C ATOM 0 HA PRO A 45 4.614 -0.078 10.226 1.00 43.44 H new ATOM 0 HB2 PRO A 45 3.889 -2.016 12.107 1.00 21.45 H new ATOM 0 HB3 PRO A 45 2.829 -1.589 10.778 1.00 21.45 H new ATOM 0 HG2 PRO A 45 4.705 -3.938 11.025 1.00 32.11 H new ATOM 0 HG3 PRO A 45 3.074 -3.895 10.384 1.00 32.11 H new ATOM 0 HD2 PRO A 45 5.226 -3.917 8.727 1.00 62.22 H new ATOM 0 HD3 PRO A 45 3.768 -3.044 8.297 1.00 62.22 H new ATOM 696 N ILE A 46 6.549 0.304 11.611 1.00 41.45 N ATOM 697 CA ILE A 46 7.625 0.619 12.553 1.00 74.13 C ATOM 698 C ILE A 46 7.089 0.431 13.987 1.00 51.42 C ATOM 699 O ILE A 46 6.376 1.289 14.509 1.00 73.32 O ATOM 700 CB ILE A 46 8.174 2.082 12.331 1.00 0.04 C ATOM 701 CG1 ILE A 46 8.660 2.288 10.851 1.00 13.44 C ATOM 702 CG2 ILE A 46 9.301 2.425 13.334 1.00 34.13 C ATOM 703 CD1 ILE A 46 9.791 1.362 10.396 1.00 34.14 C ATOM 0 H ILE A 46 6.137 1.124 11.166 1.00 41.45 H new ATOM 0 HA ILE A 46 8.465 -0.056 12.386 1.00 74.13 H new ATOM 0 HB ILE A 46 7.348 2.769 12.514 1.00 0.04 H new ATOM 0 HG12 ILE A 46 7.809 2.149 10.184 1.00 13.44 H new ATOM 0 HG13 ILE A 46 8.990 3.320 10.735 1.00 13.44 H new ATOM 0 HG21 ILE A 46 9.654 3.440 13.151 1.00 34.13 H new ATOM 0 HG22 ILE A 46 8.917 2.352 14.352 1.00 34.13 H new ATOM 0 HG23 ILE A 46 10.127 1.725 13.207 1.00 34.13 H new ATOM 0 HD11 ILE A 46 10.051 1.586 9.361 1.00 34.14 H new ATOM 0 HD12 ILE A 46 10.664 1.515 11.031 1.00 34.14 H new ATOM 0 HD13 ILE A 46 9.465 0.325 10.471 1.00 34.14 H new ATOM 715 N GLN A 47 7.429 -0.722 14.587 1.00 40.21 N ATOM 716 CA GLN A 47 6.884 -1.175 15.891 1.00 32.35 C ATOM 717 C GLN A 47 7.245 -0.240 17.066 1.00 42.23 C ATOM 718 O GLN A 47 6.602 -0.289 18.123 1.00 34.31 O ATOM 719 CB GLN A 47 7.397 -2.605 16.199 1.00 2.53 C ATOM 720 CG GLN A 47 8.920 -2.702 16.446 1.00 1.31 C ATOM 721 CD GLN A 47 9.414 -4.103 16.829 1.00 30.53 C ATOM 722 OE1 GLN A 47 8.681 -4.906 17.411 1.00 40.44 O ATOM 723 NE2 GLN A 47 10.675 -4.388 16.540 1.00 61.51 N ATOM 0 H GLN A 47 8.097 -1.377 14.181 1.00 40.21 H new ATOM 0 HA GLN A 47 5.798 -1.161 15.797 1.00 32.35 H new ATOM 0 HB2 GLN A 47 6.875 -2.983 17.078 1.00 2.53 H new ATOM 0 HB3 GLN A 47 7.135 -3.258 15.367 1.00 2.53 H new ATOM 0 HG2 GLN A 47 9.443 -2.380 15.545 1.00 1.31 H new ATOM 0 HG3 GLN A 47 9.192 -2.005 17.239 1.00 1.31 H new ATOM 0 HE21 GLN A 47 11.255 -3.702 16.058 1.00 61.51 H new ATOM 0 HE22 GLN A 47 11.066 -5.294 16.800 1.00 61.51 H new ATOM 732 N ASP A 48 8.280 0.601 16.870 1.00 65.51 N ATOM 733 CA ASP A 48 8.836 1.453 17.938 1.00 72.22 C ATOM 734 C ASP A 48 7.836 2.569 18.334 1.00 52.33 C ATOM 735 O ASP A 48 7.739 2.942 19.509 1.00 71.32 O ATOM 736 CB ASP A 48 10.244 2.031 17.507 1.00 22.10 C ATOM 737 CG ASP A 48 10.275 3.553 17.237 1.00 21.43 C ATOM 738 OD1 ASP A 48 9.985 3.982 16.105 1.00 33.24 O ATOM 739 OD2 ASP A 48 10.548 4.326 18.173 1.00 2.34 O ATOM 0 H ASP A 48 8.751 0.708 15.972 1.00 65.51 H new ATOM 0 HA ASP A 48 8.995 0.843 18.828 1.00 72.22 H new ATOM 0 HB2 ASP A 48 10.968 1.802 18.289 1.00 22.10 H new ATOM 0 HB3 ASP A 48 10.572 1.512 16.607 1.00 22.10 H new ATOM 744 N SER A 49 7.104 3.078 17.333 1.00 10.35 N ATOM 745 CA SER A 49 6.173 4.211 17.480 1.00 11.45 C ATOM 746 C SER A 49 4.967 4.030 16.537 1.00 3.40 C ATOM 747 O SER A 49 4.799 2.974 15.921 1.00 15.04 O ATOM 748 CB SER A 49 6.920 5.538 17.171 1.00 75.35 C ATOM 749 OG SER A 49 7.926 5.816 18.137 1.00 23.33 O ATOM 0 H SER A 49 7.141 2.710 16.383 1.00 10.35 H new ATOM 0 HA SER A 49 5.802 4.247 18.504 1.00 11.45 H new ATOM 0 HB2 SER A 49 7.373 5.478 16.182 1.00 75.35 H new ATOM 0 HB3 SER A 49 6.205 6.360 17.145 1.00 75.35 H new ATOM 0 HG SER A 49 8.375 6.657 17.909 1.00 23.33 H new ATOM 755 N ASP A 50 4.122 5.065 16.453 1.00 1.12 N ATOM 756 CA ASP A 50 3.007 5.129 15.489 1.00 11.22 C ATOM 757 C ASP A 50 3.535 5.637 14.134 1.00 32.04 C ATOM 758 O ASP A 50 3.309 6.783 13.733 1.00 55.35 O ATOM 759 CB ASP A 50 1.848 6.024 16.049 1.00 73.00 C ATOM 760 CG ASP A 50 2.282 7.454 16.494 1.00 21.54 C ATOM 761 OD1 ASP A 50 3.212 7.580 17.323 1.00 53.40 O ATOM 762 OD2 ASP A 50 1.681 8.452 16.044 1.00 33.01 O ATOM 0 H ASP A 50 4.189 5.887 17.053 1.00 1.12 H new ATOM 0 HA ASP A 50 2.590 4.134 15.337 1.00 11.22 H new ATOM 0 HB2 ASP A 50 1.077 6.115 15.284 1.00 73.00 H new ATOM 0 HB3 ASP A 50 1.395 5.516 16.900 1.00 73.00 H new ATOM 767 N LYS A 51 4.257 4.740 13.436 1.00 31.14 N ATOM 768 CA LYS A 51 4.878 5.005 12.122 1.00 30.24 C ATOM 769 C LYS A 51 4.851 3.730 11.264 1.00 23.32 C ATOM 770 O LYS A 51 4.622 2.623 11.772 1.00 50.00 O ATOM 771 CB LYS A 51 6.365 5.486 12.246 1.00 33.41 C ATOM 772 CG LYS A 51 6.605 6.805 13.020 1.00 3.05 C ATOM 773 CD LYS A 51 8.001 7.420 12.731 1.00 64.31 C ATOM 774 CE LYS A 51 9.173 6.488 13.080 1.00 10.14 C ATOM 775 NZ LYS A 51 9.233 6.175 14.527 1.00 41.12 N ATOM 0 H LYS A 51 4.429 3.793 13.775 1.00 31.14 H new ATOM 0 HA LYS A 51 4.298 5.802 11.656 1.00 30.24 H new ATOM 0 HB2 LYS A 51 6.939 4.697 12.732 1.00 33.41 H new ATOM 0 HB3 LYS A 51 6.770 5.602 11.241 1.00 33.41 H new ATOM 0 HG2 LYS A 51 5.832 7.525 12.752 1.00 3.05 H new ATOM 0 HG3 LYS A 51 6.509 6.617 14.089 1.00 3.05 H new ATOM 0 HD2 LYS A 51 8.060 7.683 11.675 1.00 64.31 H new ATOM 0 HD3 LYS A 51 8.104 8.346 13.297 1.00 64.31 H new ATOM 0 HE2 LYS A 51 9.078 5.561 12.514 1.00 10.14 H new ATOM 0 HE3 LYS A 51 10.109 6.955 12.773 1.00 10.14 H new ATOM 0 HZ1 LYS A 51 10.174 6.421 14.897 1.00 41.12 H new ATOM 0 HZ2 LYS A 51 8.508 6.725 15.031 1.00 41.12 H new ATOM 0 HZ3 LYS A 51 9.059 5.160 14.670 1.00 41.12 H new ATOM 789 N SER A 52 5.121 3.915 9.970 1.00 63.44 N ATOM 790 CA SER A 52 5.296 2.842 9.001 1.00 15.12 C ATOM 791 C SER A 52 6.155 3.371 7.840 1.00 61.30 C ATOM 792 O SER A 52 5.966 4.504 7.379 1.00 52.11 O ATOM 793 CB SER A 52 3.929 2.323 8.506 1.00 65.23 C ATOM 794 OG SER A 52 4.085 1.150 7.724 1.00 35.34 O ATOM 0 H SER A 52 5.226 4.843 9.560 1.00 63.44 H new ATOM 0 HA SER A 52 5.804 1.997 9.466 1.00 15.12 H new ATOM 0 HB2 SER A 52 3.285 2.113 9.360 1.00 65.23 H new ATOM 0 HB3 SER A 52 3.435 3.095 7.916 1.00 65.23 H new ATOM 0 HG SER A 52 3.915 1.360 6.782 1.00 35.34 H new ATOM 800 N HIS A 53 7.125 2.565 7.394 1.00 71.20 N ATOM 801 CA HIS A 53 8.038 2.928 6.297 1.00 25.00 C ATOM 802 C HIS A 53 7.585 2.190 5.031 1.00 4.15 C ATOM 803 O HIS A 53 7.633 0.962 4.985 1.00 31.34 O ATOM 804 CB HIS A 53 9.487 2.543 6.699 1.00 14.14 C ATOM 805 CG HIS A 53 10.586 3.069 5.802 1.00 64.10 C ATOM 806 ND1 HIS A 53 11.914 2.787 6.018 1.00 12.54 N ATOM 807 CD2 HIS A 53 10.564 3.914 4.739 1.00 61.35 C ATOM 808 CE1 HIS A 53 12.651 3.435 5.142 1.00 1.20 C ATOM 809 NE2 HIS A 53 11.859 4.129 4.357 1.00 41.35 N ATOM 0 H HIS A 53 7.302 1.639 7.783 1.00 71.20 H new ATOM 0 HA HIS A 53 8.018 4.000 6.101 1.00 25.00 H new ATOM 0 HB2 HIS A 53 9.669 2.902 7.712 1.00 14.14 H new ATOM 0 HB3 HIS A 53 9.558 1.456 6.728 1.00 14.14 H new ATOM 0 HD1 HIS A 53 12.273 2.170 6.746 1.00 12.54 H new ATOM 0 HD2 HIS A 53 9.684 4.339 4.279 1.00 61.35 H new ATOM 0 HE1 HIS A 53 13.729 3.402 5.079 1.00 1.20 H new ATOM 818 N ILE A 54 7.113 2.938 4.019 1.00 2.02 N ATOM 819 CA ILE A 54 6.545 2.357 2.790 1.00 64.10 C ATOM 820 C ILE A 54 7.554 2.468 1.639 1.00 74.03 C ATOM 821 O ILE A 54 8.103 3.546 1.406 1.00 70.30 O ATOM 822 CB ILE A 54 5.183 3.038 2.341 1.00 62.34 C ATOM 823 CG1 ILE A 54 4.123 3.124 3.498 1.00 11.10 C ATOM 824 CG2 ILE A 54 4.577 2.280 1.135 1.00 2.52 C ATOM 825 CD1 ILE A 54 4.373 4.201 4.534 1.00 72.11 C ATOM 0 H ILE A 54 7.114 3.958 4.029 1.00 2.02 H new ATOM 0 HA ILE A 54 6.329 1.314 3.021 1.00 64.10 H new ATOM 0 HB ILE A 54 5.429 4.061 2.057 1.00 62.34 H new ATOM 0 HG12 ILE A 54 3.141 3.291 3.056 1.00 11.10 H new ATOM 0 HG13 ILE A 54 4.085 2.159 4.004 1.00 11.10 H new ATOM 0 HG21 ILE A 54 3.643 2.757 0.837 1.00 2.52 H new ATOM 0 HG22 ILE A 54 5.278 2.303 0.301 1.00 2.52 H new ATOM 0 HG23 ILE A 54 4.382 1.245 1.416 1.00 2.52 H new ATOM 0 HD11 ILE A 54 3.584 4.173 5.286 1.00 72.11 H new ATOM 0 HD12 ILE A 54 5.337 4.028 5.013 1.00 72.11 H new ATOM 0 HD13 ILE A 54 4.378 5.177 4.050 1.00 72.11 H new ATOM 837 N TRP A 55 7.804 1.346 0.936 1.00 0.23 N ATOM 838 CA TRP A 55 8.585 1.329 -0.315 1.00 23.42 C ATOM 839 C TRP A 55 7.624 1.169 -1.501 1.00 33.15 C ATOM 840 O TRP A 55 6.896 0.173 -1.590 1.00 34.52 O ATOM 841 CB TRP A 55 9.624 0.185 -0.300 1.00 33.11 C ATOM 842 CG TRP A 55 10.713 0.370 0.739 1.00 61.13 C ATOM 843 CD1 TRP A 55 11.934 0.956 0.564 1.00 64.41 C ATOM 844 CD2 TRP A 55 10.675 -0.038 2.109 1.00 12.53 C ATOM 845 NE1 TRP A 55 12.637 0.958 1.743 1.00 65.43 N ATOM 846 CE2 TRP A 55 11.889 0.347 2.704 1.00 52.45 C ATOM 847 CE3 TRP A 55 9.729 -0.684 2.888 1.00 31.25 C ATOM 848 CZ2 TRP A 55 12.181 0.081 4.040 1.00 22.32 C ATOM 849 CZ3 TRP A 55 10.021 -0.941 4.205 1.00 60.13 C ATOM 850 CH2 TRP A 55 11.232 -0.553 4.777 1.00 3.43 C ATOM 0 H TRP A 55 7.469 0.425 1.220 1.00 0.23 H new ATOM 0 HA TRP A 55 9.130 2.268 -0.411 1.00 23.42 H new ATOM 0 HB2 TRP A 55 9.111 -0.758 -0.113 1.00 33.11 H new ATOM 0 HB3 TRP A 55 10.083 0.109 -1.286 1.00 33.11 H new ATOM 0 HD1 TRP A 55 12.295 1.361 -0.370 1.00 64.41 H new ATOM 0 HE1 TRP A 55 13.568 1.353 1.878 1.00 65.43 H new ATOM 0 HE3 TRP A 55 8.779 -0.980 2.467 1.00 31.25 H new ATOM 0 HZ2 TRP A 55 13.127 0.368 4.474 1.00 22.32 H new ATOM 0 HZ3 TRP A 55 9.293 -1.457 4.814 1.00 60.13 H new ATOM 0 HH2 TRP A 55 11.418 -0.759 5.821 1.00 3.43 H new ATOM 861 N LEU A 56 7.608 2.184 -2.378 1.00 42.42 N ATOM 862 CA LEU A 56 6.775 2.223 -3.583 1.00 73.33 C ATOM 863 C LEU A 56 7.627 1.818 -4.795 1.00 31.14 C ATOM 864 O LEU A 56 8.543 2.543 -5.191 1.00 54.03 O ATOM 865 CB LEU A 56 6.154 3.640 -3.815 1.00 74.34 C ATOM 866 CG LEU A 56 5.117 4.153 -2.755 1.00 1.52 C ATOM 867 CD1 LEU A 56 3.986 3.121 -2.509 1.00 54.23 C ATOM 868 CD2 LEU A 56 5.801 4.595 -1.436 1.00 4.45 C ATOM 0 H LEU A 56 8.187 3.016 -2.264 1.00 42.42 H new ATOM 0 HA LEU A 56 5.949 1.523 -3.452 1.00 73.33 H new ATOM 0 HB2 LEU A 56 6.969 4.362 -3.866 1.00 74.34 H new ATOM 0 HB3 LEU A 56 5.667 3.640 -4.790 1.00 74.34 H new ATOM 0 HG LEU A 56 4.648 5.043 -3.175 1.00 1.52 H new ATOM 0 HD11 LEU A 56 3.289 3.514 -1.769 1.00 54.23 H new ATOM 0 HD12 LEU A 56 3.456 2.933 -3.443 1.00 54.23 H new ATOM 0 HD13 LEU A 56 4.417 2.189 -2.142 1.00 54.23 H new ATOM 0 HD21 LEU A 56 5.044 4.942 -0.732 1.00 4.45 H new ATOM 0 HD22 LEU A 56 6.338 3.751 -1.004 1.00 4.45 H new ATOM 0 HD23 LEU A 56 6.502 5.403 -1.643 1.00 4.45 H new ATOM 880 N LEU A 57 7.317 0.645 -5.348 1.00 45.33 N ATOM 881 CA LEU A 57 7.911 0.127 -6.588 1.00 1.43 C ATOM 882 C LEU A 57 7.069 0.663 -7.736 1.00 55.41 C ATOM 883 O LEU A 57 5.945 0.206 -7.940 1.00 52.44 O ATOM 884 CB LEU A 57 7.896 -1.435 -6.602 1.00 64.03 C ATOM 885 CG LEU A 57 9.002 -2.181 -5.788 1.00 20.21 C ATOM 886 CD1 LEU A 57 9.148 -1.655 -4.335 1.00 32.41 C ATOM 887 CD2 LEU A 57 8.728 -3.706 -5.814 1.00 75.25 C ATOM 0 H LEU A 57 6.630 0.011 -4.939 1.00 45.33 H new ATOM 0 HA LEU A 57 8.950 0.444 -6.674 1.00 1.43 H new ATOM 0 HB2 LEU A 57 6.926 -1.764 -6.229 1.00 64.03 H new ATOM 0 HB3 LEU A 57 7.966 -1.761 -7.640 1.00 64.03 H new ATOM 0 HG LEU A 57 9.958 -1.978 -6.270 1.00 20.21 H new ATOM 0 HD11 LEU A 57 9.932 -2.213 -3.823 1.00 32.41 H new ATOM 0 HD12 LEU A 57 9.411 -0.597 -4.356 1.00 32.41 H new ATOM 0 HD13 LEU A 57 8.205 -1.784 -3.805 1.00 32.41 H new ATOM 0 HD21 LEU A 57 9.500 -4.224 -5.246 1.00 75.25 H new ATOM 0 HD22 LEU A 57 7.753 -3.908 -5.370 1.00 75.25 H new ATOM 0 HD23 LEU A 57 8.737 -4.060 -6.845 1.00 75.25 H new ATOM 899 N VAL A 58 7.590 1.664 -8.433 1.00 61.31 N ATOM 900 CA VAL A 58 6.880 2.309 -9.544 1.00 11.45 C ATOM 901 C VAL A 58 7.898 2.648 -10.625 1.00 41.45 C ATOM 902 O VAL A 58 9.040 2.920 -10.310 1.00 45.40 O ATOM 903 CB VAL A 58 6.116 3.603 -9.053 1.00 31.12 C ATOM 904 CG1 VAL A 58 7.086 4.739 -8.649 1.00 60.21 C ATOM 905 CG2 VAL A 58 5.076 4.081 -10.094 1.00 15.00 C ATOM 0 H VAL A 58 8.514 2.055 -8.250 1.00 61.31 H new ATOM 0 HA VAL A 58 6.127 1.632 -9.947 1.00 11.45 H new ATOM 0 HB VAL A 58 5.570 3.323 -8.152 1.00 31.12 H new ATOM 0 HG11 VAL A 58 6.514 5.606 -8.319 1.00 60.21 H new ATOM 0 HG12 VAL A 58 7.728 4.398 -7.837 1.00 60.21 H new ATOM 0 HG13 VAL A 58 7.701 5.015 -9.506 1.00 60.21 H new ATOM 0 HG21 VAL A 58 4.571 4.972 -9.721 1.00 15.00 H new ATOM 0 HG22 VAL A 58 5.581 4.315 -11.031 1.00 15.00 H new ATOM 0 HG23 VAL A 58 4.342 3.293 -10.264 1.00 15.00 H new ATOM 915 N ASN A 59 7.507 2.606 -11.893 1.00 34.53 N ATOM 916 CA ASN A 59 8.428 2.925 -12.998 1.00 61.41 C ATOM 917 C ASN A 59 8.648 4.451 -13.080 1.00 51.22 C ATOM 918 O ASN A 59 7.706 5.233 -12.867 1.00 43.00 O ATOM 919 CB ASN A 59 7.912 2.340 -14.336 1.00 62.41 C ATOM 920 CG ASN A 59 6.565 2.896 -14.812 1.00 43.22 C ATOM 921 OD1 ASN A 59 5.735 3.331 -14.019 1.00 61.01 O ATOM 922 ND2 ASN A 59 6.335 2.857 -16.112 1.00 43.14 N ATOM 0 H ASN A 59 6.564 2.356 -12.190 1.00 34.53 H new ATOM 0 HA ASN A 59 9.393 2.459 -12.800 1.00 61.41 H new ATOM 0 HB2 ASN A 59 8.658 2.527 -15.108 1.00 62.41 H new ATOM 0 HB3 ASN A 59 7.825 1.258 -14.232 1.00 62.41 H new ATOM 0 HD21 ASN A 59 5.447 3.194 -16.483 1.00 43.14 H new ATOM 0 HD22 ASN A 59 7.046 2.489 -16.745 1.00 43.14 H new ATOM 929 N ASP A 60 9.907 4.854 -13.350 1.00 31.33 N ATOM 930 CA ASP A 60 10.312 6.276 -13.428 1.00 33.12 C ATOM 931 C ASP A 60 9.580 7.003 -14.575 1.00 44.22 C ATOM 932 O ASP A 60 9.289 6.407 -15.617 1.00 25.23 O ATOM 933 CB ASP A 60 11.851 6.388 -13.594 1.00 53.22 C ATOM 934 CG ASP A 60 12.335 7.825 -13.879 1.00 25.00 C ATOM 935 OD1 ASP A 60 12.120 8.714 -13.020 1.00 2.30 O ATOM 936 OD2 ASP A 60 12.903 8.076 -14.969 1.00 41.22 O ATOM 0 H ASP A 60 10.673 4.203 -13.521 1.00 31.33 H new ATOM 0 HA ASP A 60 10.027 6.763 -12.496 1.00 33.12 H new ATOM 0 HB2 ASP A 60 12.334 6.023 -12.687 1.00 53.22 H new ATOM 0 HB3 ASP A 60 12.169 5.737 -14.409 1.00 53.22 H new ATOM 941 N ASP A 61 9.291 8.289 -14.356 1.00 74.23 N ATOM 942 CA ASP A 61 8.497 9.121 -15.258 1.00 24.23 C ATOM 943 C ASP A 61 9.061 10.555 -15.252 1.00 13.22 C ATOM 944 O ASP A 61 9.875 10.905 -14.387 1.00 53.44 O ATOM 945 CB ASP A 61 7.034 9.068 -14.770 1.00 73.04 C ATOM 946 CG ASP A 61 6.030 9.794 -15.665 1.00 54.00 C ATOM 947 OD1 ASP A 61 5.716 9.303 -16.757 1.00 4.25 O ATOM 948 OD2 ASP A 61 5.535 10.862 -15.263 1.00 52.13 O ATOM 0 H ASP A 61 9.611 8.790 -13.527 1.00 74.23 H new ATOM 0 HA ASP A 61 8.540 8.762 -16.286 1.00 24.23 H new ATOM 0 HB2 ASP A 61 6.733 8.024 -14.683 1.00 73.04 H new ATOM 0 HB3 ASP A 61 6.984 9.498 -13.770 1.00 73.04 H new ATOM 953 N GLN A 62 8.616 11.377 -16.209 1.00 62.11 N ATOM 954 CA GLN A 62 9.008 12.799 -16.317 1.00 62.54 C ATOM 955 C GLN A 62 8.445 13.634 -15.149 1.00 73.01 C ATOM 956 O GLN A 62 9.109 14.538 -14.644 1.00 65.11 O ATOM 957 CB GLN A 62 8.519 13.373 -17.669 1.00 21.15 C ATOM 958 CG GLN A 62 9.075 12.630 -18.905 1.00 10.13 C ATOM 959 CD GLN A 62 8.539 13.136 -20.253 1.00 32.13 C ATOM 960 OE1 GLN A 62 9.241 13.096 -21.263 1.00 50.30 O ATOM 961 NE2 GLN A 62 7.292 13.585 -20.292 1.00 62.24 N ATOM 0 H GLN A 62 7.969 11.078 -16.939 1.00 62.11 H new ATOM 0 HA GLN A 62 10.095 12.856 -16.268 1.00 62.54 H new ATOM 0 HB2 GLN A 62 7.430 13.336 -17.695 1.00 21.15 H new ATOM 0 HB3 GLN A 62 8.804 14.423 -17.731 1.00 21.15 H new ATOM 0 HG2 GLN A 62 10.162 12.717 -18.906 1.00 10.13 H new ATOM 0 HG3 GLN A 62 8.840 11.570 -18.811 1.00 10.13 H new ATOM 0 HE21 GLN A 62 6.731 13.608 -19.440 1.00 62.24 H new ATOM 0 HE22 GLN A 62 6.893 13.908 -21.174 1.00 62.24 H new ATOM 970 N ARG A 63 7.212 13.313 -14.740 1.00 50.10 N ATOM 971 CA ARG A 63 6.496 13.980 -13.617 1.00 40.22 C ATOM 972 C ARG A 63 6.919 13.391 -12.265 1.00 72.11 C ATOM 973 O ARG A 63 6.760 14.054 -11.243 1.00 1.25 O ATOM 974 CB ARG A 63 4.944 13.890 -13.778 1.00 75.54 C ATOM 975 CG ARG A 63 4.312 14.839 -14.834 1.00 33.31 C ATOM 976 CD ARG A 63 4.782 14.570 -16.273 1.00 3.00 C ATOM 977 NE ARG A 63 4.551 13.170 -16.671 1.00 23.54 N ATOM 978 CZ ARG A 63 4.493 12.700 -17.921 1.00 22.44 C ATOM 979 NH1 ARG A 63 4.626 13.505 -18.966 1.00 45.03 N ATOM 980 NH2 ARG A 63 4.325 11.405 -18.112 1.00 20.42 N ATOM 0 H ARG A 63 6.665 12.573 -15.179 1.00 50.10 H new ATOM 0 HA ARG A 63 6.776 15.033 -13.646 1.00 40.22 H new ATOM 0 HB2 ARG A 63 4.685 12.864 -14.039 1.00 75.54 H new ATOM 0 HB3 ARG A 63 4.486 14.098 -12.811 1.00 75.54 H new ATOM 0 HG2 ARG A 63 3.227 14.742 -14.792 1.00 33.31 H new ATOM 0 HG3 ARG A 63 4.550 15.870 -14.571 1.00 33.31 H new ATOM 0 HD2 ARG A 63 4.255 15.234 -16.958 1.00 3.00 H new ATOM 0 HD3 ARG A 63 5.844 14.802 -16.358 1.00 3.00 H new ATOM 0 HE ARG A 63 4.423 12.493 -15.919 1.00 23.54 H new ATOM 0 HH11 ARG A 63 4.776 14.504 -18.824 1.00 45.03 H new ATOM 0 HH12 ARG A 63 4.578 13.125 -19.912 1.00 45.03 H new ATOM 0 HH21 ARG A 63 4.241 10.778 -17.312 1.00 20.42 H new ATOM 0 HH22 ARG A 63 4.279 11.031 -19.060 1.00 20.42 H new ATOM 994 N LEU A 64 7.393 12.128 -12.295 1.00 41.32 N ATOM 995 CA LEU A 64 7.634 11.263 -11.107 1.00 14.13 C ATOM 996 C LEU A 64 8.254 12.033 -9.911 1.00 0.34 C ATOM 997 O LEU A 64 7.623 12.153 -8.863 1.00 52.02 O ATOM 998 CB LEU A 64 8.542 10.056 -11.534 1.00 53.13 C ATOM 999 CG LEU A 64 8.286 8.666 -10.862 1.00 1.54 C ATOM 1000 CD1 LEU A 64 8.613 8.676 -9.372 1.00 41.44 C ATOM 1001 CD2 LEU A 64 6.847 8.153 -11.114 1.00 51.54 C ATOM 0 H LEU A 64 7.628 11.662 -13.171 1.00 41.32 H new ATOM 0 HA LEU A 64 6.669 10.899 -10.754 1.00 14.13 H new ATOM 0 HB2 LEU A 64 8.442 9.929 -12.612 1.00 53.13 H new ATOM 0 HB3 LEU A 64 9.578 10.334 -11.341 1.00 53.13 H new ATOM 0 HG LEU A 64 8.971 7.966 -11.340 1.00 1.54 H new ATOM 0 HD11 LEU A 64 8.419 7.690 -8.950 1.00 41.44 H new ATOM 0 HD12 LEU A 64 9.664 8.931 -9.232 1.00 41.44 H new ATOM 0 HD13 LEU A 64 7.990 9.415 -8.868 1.00 41.44 H new ATOM 0 HD21 LEU A 64 6.715 7.186 -10.629 1.00 51.54 H new ATOM 0 HD22 LEU A 64 6.130 8.865 -10.705 1.00 51.54 H new ATOM 0 HD23 LEU A 64 6.681 8.047 -12.186 1.00 51.54 H new ATOM 1013 N GLU A 65 9.467 12.579 -10.111 1.00 63.15 N ATOM 1014 CA GLU A 65 10.253 13.235 -9.034 1.00 44.34 C ATOM 1015 C GLU A 65 9.632 14.569 -8.577 1.00 35.41 C ATOM 1016 O GLU A 65 9.814 14.974 -7.426 1.00 32.12 O ATOM 1017 CB GLU A 65 11.722 13.436 -9.466 1.00 51.24 C ATOM 1018 CG GLU A 65 12.492 12.119 -9.708 1.00 52.42 C ATOM 1019 CD GLU A 65 14.015 12.332 -9.808 1.00 22.34 C ATOM 1020 OE1 GLU A 65 14.706 12.286 -8.763 1.00 34.01 O ATOM 1021 OE2 GLU A 65 14.527 12.594 -10.915 1.00 44.21 O ATOM 0 H GLU A 65 9.934 12.582 -11.018 1.00 63.15 H new ATOM 0 HA GLU A 65 10.230 12.563 -8.176 1.00 44.34 H new ATOM 0 HB2 GLU A 65 11.743 14.030 -10.380 1.00 51.24 H new ATOM 0 HB3 GLU A 65 12.240 14.012 -8.699 1.00 51.24 H new ATOM 0 HG2 GLU A 65 12.279 11.424 -8.896 1.00 52.42 H new ATOM 0 HG3 GLU A 65 12.133 11.656 -10.627 1.00 52.42 H new ATOM 1028 N GLN A 66 8.932 15.251 -9.496 1.00 61.31 N ATOM 1029 CA GLN A 66 8.154 16.470 -9.179 1.00 12.24 C ATOM 1030 C GLN A 66 7.019 16.129 -8.185 1.00 45.20 C ATOM 1031 O GLN A 66 6.742 16.888 -7.249 1.00 64.45 O ATOM 1032 CB GLN A 66 7.585 17.083 -10.487 1.00 51.00 C ATOM 1033 CG GLN A 66 6.722 18.351 -10.326 1.00 24.03 C ATOM 1034 CD GLN A 66 7.501 19.555 -9.792 1.00 62.33 C ATOM 1035 OE1 GLN A 66 8.062 20.336 -10.558 1.00 13.31 O ATOM 1036 NE2 GLN A 66 7.537 19.715 -8.484 1.00 55.04 N ATOM 0 H GLN A 66 8.886 14.979 -10.478 1.00 61.31 H new ATOM 0 HA GLN A 66 8.806 17.206 -8.709 1.00 12.24 H new ATOM 0 HB2 GLN A 66 8.420 17.319 -11.146 1.00 51.00 H new ATOM 0 HB3 GLN A 66 6.987 16.323 -10.989 1.00 51.00 H new ATOM 0 HG2 GLN A 66 6.286 18.609 -11.291 1.00 24.03 H new ATOM 0 HG3 GLN A 66 5.895 18.135 -9.650 1.00 24.03 H new ATOM 0 HE21 GLN A 66 7.061 19.049 -7.875 1.00 55.04 H new ATOM 0 HE22 GLN A 66 8.041 20.505 -8.080 1.00 55.04 H new ATOM 1045 N MET A 67 6.397 14.961 -8.399 1.00 71.15 N ATOM 1046 CA MET A 67 5.290 14.465 -7.565 1.00 62.23 C ATOM 1047 C MET A 67 5.803 13.891 -6.233 1.00 61.22 C ATOM 1048 O MET A 67 5.083 13.927 -5.227 1.00 34.24 O ATOM 1049 CB MET A 67 4.456 13.422 -8.349 1.00 55.12 C ATOM 1050 CG MET A 67 3.756 14.006 -9.582 1.00 22.53 C ATOM 1051 SD MET A 67 2.594 12.860 -10.345 1.00 60.32 S ATOM 1052 CE MET A 67 1.846 13.907 -11.590 1.00 40.32 C ATOM 0 H MET A 67 6.648 14.329 -9.159 1.00 71.15 H new ATOM 0 HA MET A 67 4.642 15.306 -7.320 1.00 62.23 H new ATOM 0 HB2 MET A 67 5.109 12.607 -8.662 1.00 55.12 H new ATOM 0 HB3 MET A 67 3.707 12.993 -7.684 1.00 55.12 H new ATOM 0 HG2 MET A 67 3.226 14.914 -9.295 1.00 22.53 H new ATOM 0 HG3 MET A 67 4.508 14.294 -10.317 1.00 22.53 H new ATOM 0 HE1 MET A 67 0.762 13.793 -11.558 1.00 40.32 H new ATOM 0 HE2 MET A 67 2.108 14.947 -11.396 1.00 40.32 H new ATOM 0 HE3 MET A 67 2.212 13.619 -12.575 1.00 40.32 H new ATOM 1062 N ILE A 68 7.044 13.359 -6.240 1.00 73.34 N ATOM 1063 CA ILE A 68 7.747 12.964 -5.005 1.00 44.44 C ATOM 1064 C ILE A 68 7.979 14.208 -4.144 1.00 20.41 C ATOM 1065 O ILE A 68 7.741 14.188 -2.946 1.00 55.43 O ATOM 1066 CB ILE A 68 9.135 12.276 -5.282 1.00 21.03 C ATOM 1067 CG1 ILE A 68 8.976 10.993 -6.151 1.00 4.12 C ATOM 1068 CG2 ILE A 68 9.875 11.945 -3.956 1.00 13.41 C ATOM 1069 CD1 ILE A 68 10.298 10.388 -6.592 1.00 35.31 C ATOM 0 H ILE A 68 7.580 13.194 -7.092 1.00 73.34 H new ATOM 0 HA ILE A 68 7.117 12.236 -4.495 1.00 44.44 H new ATOM 0 HB ILE A 68 9.739 12.989 -5.843 1.00 21.03 H new ATOM 0 HG12 ILE A 68 8.416 10.248 -5.585 1.00 4.12 H new ATOM 0 HG13 ILE A 68 8.384 11.234 -7.034 1.00 4.12 H new ATOM 0 HG21 ILE A 68 10.830 11.471 -4.181 1.00 13.41 H new ATOM 0 HG22 ILE A 68 10.049 12.865 -3.397 1.00 13.41 H new ATOM 0 HG23 ILE A 68 9.265 11.267 -3.358 1.00 13.41 H new ATOM 0 HD11 ILE A 68 10.109 9.498 -7.193 1.00 35.31 H new ATOM 0 HD12 ILE A 68 10.851 11.116 -7.186 1.00 35.31 H new ATOM 0 HD13 ILE A 68 10.884 10.115 -5.714 1.00 35.31 H new ATOM 1081 N SER A 69 8.423 15.292 -4.801 1.00 44.12 N ATOM 1082 CA SER A 69 8.717 16.573 -4.142 1.00 1.34 C ATOM 1083 C SER A 69 7.438 17.171 -3.517 1.00 73.44 C ATOM 1084 O SER A 69 7.499 17.827 -2.481 1.00 62.13 O ATOM 1085 CB SER A 69 9.357 17.556 -5.152 1.00 33.51 C ATOM 1086 OG SER A 69 9.869 18.710 -4.499 1.00 3.42 O ATOM 0 H SER A 69 8.588 15.303 -5.807 1.00 44.12 H new ATOM 0 HA SER A 69 9.429 16.398 -3.336 1.00 1.34 H new ATOM 0 HB2 SER A 69 10.161 17.054 -5.691 1.00 33.51 H new ATOM 0 HB3 SER A 69 8.615 17.854 -5.892 1.00 33.51 H new ATOM 0 HG SER A 69 10.268 19.311 -5.162 1.00 3.42 H new ATOM 1092 N GLN A 70 6.284 16.914 -4.163 1.00 42.33 N ATOM 1093 CA GLN A 70 4.964 17.361 -3.671 1.00 41.24 C ATOM 1094 C GLN A 70 4.566 16.573 -2.409 1.00 24.41 C ATOM 1095 O GLN A 70 4.247 17.169 -1.374 1.00 44.23 O ATOM 1096 CB GLN A 70 3.896 17.202 -4.805 1.00 11.44 C ATOM 1097 CG GLN A 70 2.532 17.921 -4.578 1.00 33.21 C ATOM 1098 CD GLN A 70 1.586 17.278 -3.548 1.00 44.14 C ATOM 1099 OE1 GLN A 70 0.822 17.970 -2.869 1.00 0.43 O ATOM 1100 NE2 GLN A 70 1.608 15.956 -3.433 1.00 53.24 N ATOM 0 H GLN A 70 6.239 16.392 -5.038 1.00 42.33 H new ATOM 0 HA GLN A 70 5.018 18.415 -3.397 1.00 41.24 H new ATOM 0 HB2 GLN A 70 4.327 17.573 -5.735 1.00 11.44 H new ATOM 0 HB3 GLN A 70 3.702 16.139 -4.945 1.00 11.44 H new ATOM 0 HG2 GLN A 70 2.733 18.946 -4.265 1.00 33.21 H new ATOM 0 HG3 GLN A 70 2.011 17.976 -5.534 1.00 33.21 H new ATOM 0 HE21 GLN A 70 2.248 15.405 -4.005 1.00 53.24 H new ATOM 0 HE22 GLN A 70 0.985 15.491 -2.773 1.00 53.24 H new ATOM 1109 N ILE A 71 4.602 15.231 -2.517 1.00 72.04 N ATOM 1110 CA ILE A 71 4.124 14.314 -1.453 1.00 1.34 C ATOM 1111 C ILE A 71 5.054 14.392 -0.211 1.00 10.24 C ATOM 1112 O ILE A 71 4.618 14.211 0.922 1.00 3.23 O ATOM 1113 CB ILE A 71 3.966 12.841 -2.026 1.00 51.02 C ATOM 1114 CG1 ILE A 71 2.958 11.966 -1.190 1.00 15.53 C ATOM 1115 CG2 ILE A 71 5.321 12.118 -2.204 1.00 34.53 C ATOM 1116 CD1 ILE A 71 3.495 11.347 0.092 1.00 70.03 C ATOM 0 H ILE A 71 4.962 14.748 -3.341 1.00 72.04 H new ATOM 0 HA ILE A 71 3.135 14.626 -1.118 1.00 1.34 H new ATOM 0 HB ILE A 71 3.536 12.964 -3.020 1.00 51.02 H new ATOM 0 HG12 ILE A 71 2.099 12.586 -0.935 1.00 15.53 H new ATOM 0 HG13 ILE A 71 2.593 11.162 -1.829 1.00 15.53 H new ATOM 0 HG21 ILE A 71 5.150 11.116 -2.598 1.00 34.53 H new ATOM 0 HG22 ILE A 71 5.945 12.680 -2.899 1.00 34.53 H new ATOM 0 HG23 ILE A 71 5.825 12.047 -1.240 1.00 34.53 H new ATOM 0 HD11 ILE A 71 2.707 10.770 0.575 1.00 70.03 H new ATOM 0 HD12 ILE A 71 4.333 10.691 -0.144 1.00 70.03 H new ATOM 0 HD13 ILE A 71 3.831 12.136 0.764 1.00 70.03 H new ATOM 1128 N ASP A 72 6.328 14.720 -0.473 1.00 33.13 N ATOM 1129 CA ASP A 72 7.375 14.938 0.552 1.00 24.51 C ATOM 1130 C ASP A 72 7.007 16.096 1.511 1.00 3.53 C ATOM 1131 O ASP A 72 7.360 16.055 2.695 1.00 50.51 O ATOM 1132 CB ASP A 72 8.757 15.162 -0.169 1.00 34.21 C ATOM 1133 CG ASP A 72 9.721 16.178 0.482 1.00 50.35 C ATOM 1134 OD1 ASP A 72 10.201 15.944 1.610 1.00 53.31 O ATOM 1135 OD2 ASP A 72 10.003 17.225 -0.135 1.00 74.14 O ATOM 0 H ASP A 72 6.673 14.845 -1.425 1.00 33.13 H new ATOM 0 HA ASP A 72 7.455 14.053 1.183 1.00 24.51 H new ATOM 0 HB2 ASP A 72 9.267 14.201 -0.233 1.00 34.21 H new ATOM 0 HB3 ASP A 72 8.559 15.486 -1.191 1.00 34.21 H new ATOM 1140 N LYS A 73 6.278 17.099 1.001 1.00 1.42 N ATOM 1141 CA LYS A 73 5.919 18.305 1.788 1.00 63.21 C ATOM 1142 C LYS A 73 4.808 18.020 2.813 1.00 10.13 C ATOM 1143 O LYS A 73 4.578 18.831 3.719 1.00 23.00 O ATOM 1144 CB LYS A 73 5.503 19.473 0.854 1.00 14.21 C ATOM 1145 CG LYS A 73 6.539 19.833 -0.228 1.00 50.13 C ATOM 1146 CD LYS A 73 7.960 20.033 0.348 1.00 65.12 C ATOM 1147 CE LYS A 73 9.011 20.301 -0.743 1.00 23.12 C ATOM 1148 NZ LYS A 73 10.394 20.225 -0.204 1.00 73.21 N ATOM 0 H LYS A 73 5.921 17.106 0.046 1.00 1.42 H new ATOM 0 HA LYS A 73 6.811 18.597 2.343 1.00 63.21 H new ATOM 0 HB2 LYS A 73 4.564 19.213 0.366 1.00 14.21 H new ATOM 0 HB3 LYS A 73 5.312 20.357 1.463 1.00 14.21 H new ATOM 0 HG2 LYS A 73 6.564 19.043 -0.978 1.00 50.13 H new ATOM 0 HG3 LYS A 73 6.226 20.745 -0.736 1.00 50.13 H new ATOM 0 HD2 LYS A 73 7.949 20.868 1.049 1.00 65.12 H new ATOM 0 HD3 LYS A 73 8.247 19.146 0.913 1.00 65.12 H new ATOM 0 HE2 LYS A 73 8.894 19.575 -1.548 1.00 23.12 H new ATOM 0 HE3 LYS A 73 8.843 21.287 -1.176 1.00 23.12 H new ATOM 0 HZ1 LYS A 73 11.055 20.652 -0.884 1.00 73.21 H new ATOM 0 HZ2 LYS A 73 10.444 20.740 0.698 1.00 73.21 H new ATOM 0 HZ3 LYS A 73 10.652 19.230 -0.049 1.00 73.21 H new ATOM 1162 N LEU A 74 4.119 16.876 2.661 1.00 21.21 N ATOM 1163 CA LEU A 74 3.101 16.431 3.623 1.00 21.52 C ATOM 1164 C LEU A 74 3.789 16.019 4.932 1.00 34.12 C ATOM 1165 O LEU A 74 4.771 15.274 4.917 1.00 3.30 O ATOM 1166 CB LEU A 74 2.236 15.278 3.037 1.00 54.23 C ATOM 1167 CG LEU A 74 1.131 15.694 2.006 1.00 22.12 C ATOM 1168 CD1 LEU A 74 0.131 16.699 2.633 1.00 62.24 C ATOM 1169 CD2 LEU A 74 1.742 16.251 0.694 1.00 35.22 C ATOM 0 H LEU A 74 4.252 16.240 1.875 1.00 21.21 H new ATOM 0 HA LEU A 74 2.419 17.255 3.831 1.00 21.52 H new ATOM 0 HB2 LEU A 74 2.902 14.562 2.555 1.00 54.23 H new ATOM 0 HB3 LEU A 74 1.754 14.758 3.864 1.00 54.23 H new ATOM 0 HG LEU A 74 0.579 14.792 1.743 1.00 22.12 H new ATOM 0 HD11 LEU A 74 -0.624 16.970 1.895 1.00 62.24 H new ATOM 0 HD12 LEU A 74 -0.353 16.241 3.496 1.00 62.24 H new ATOM 0 HD13 LEU A 74 0.666 17.594 2.950 1.00 62.24 H new ATOM 0 HD21 LEU A 74 0.941 16.527 0.008 1.00 35.22 H new ATOM 0 HD22 LEU A 74 2.346 17.130 0.919 1.00 35.22 H new ATOM 0 HD23 LEU A 74 2.369 15.488 0.232 1.00 35.22 H new ATOM 1181 N GLU A 75 3.252 16.519 6.053 1.00 5.11 N ATOM 1182 CA GLU A 75 3.908 16.467 7.387 1.00 3.43 C ATOM 1183 C GLU A 75 3.838 15.068 8.030 1.00 3.24 C ATOM 1184 O GLU A 75 4.474 14.814 9.062 1.00 13.32 O ATOM 1185 CB GLU A 75 3.259 17.525 8.305 1.00 1.42 C ATOM 1186 CG GLU A 75 3.383 18.971 7.786 1.00 23.53 C ATOM 1187 CD GLU A 75 2.556 19.977 8.606 1.00 12.10 C ATOM 1188 OE1 GLU A 75 1.360 20.168 8.299 1.00 60.41 O ATOM 1189 OE2 GLU A 75 3.088 20.571 9.566 1.00 73.42 O ATOM 0 H GLU A 75 2.341 16.978 6.070 1.00 5.11 H new ATOM 0 HA GLU A 75 4.967 16.686 7.253 1.00 3.43 H new ATOM 0 HB2 GLU A 75 2.203 17.284 8.429 1.00 1.42 H new ATOM 0 HB3 GLU A 75 3.718 17.464 9.292 1.00 1.42 H new ATOM 0 HG2 GLU A 75 4.431 19.269 7.805 1.00 23.53 H new ATOM 0 HG3 GLU A 75 3.061 19.007 6.745 1.00 23.53 H new ATOM 1196 N ASP A 76 3.027 14.182 7.434 1.00 51.55 N ATOM 1197 CA ASP A 76 3.003 12.750 7.781 1.00 42.30 C ATOM 1198 C ASP A 76 4.304 12.085 7.336 1.00 32.12 C ATOM 1199 O ASP A 76 4.864 11.278 8.078 1.00 62.21 O ATOM 1200 CB ASP A 76 1.778 12.040 7.174 1.00 74.32 C ATOM 1201 CG ASP A 76 1.548 12.340 5.682 1.00 32.13 C ATOM 1202 OD1 ASP A 76 0.985 13.409 5.379 1.00 73.50 O ATOM 1203 OD2 ASP A 76 1.893 11.506 4.814 1.00 23.43 O ATOM 0 H ASP A 76 2.369 14.436 6.698 1.00 51.55 H new ATOM 0 HA ASP A 76 2.917 12.661 8.864 1.00 42.30 H new ATOM 0 HB2 ASP A 76 1.896 10.964 7.302 1.00 74.32 H new ATOM 0 HB3 ASP A 76 0.889 12.333 7.733 1.00 74.32 H new ATOM 1208 N VAL A 77 4.783 12.452 6.133 1.00 34.14 N ATOM 1209 CA VAL A 77 6.103 12.039 5.640 1.00 30.25 C ATOM 1210 C VAL A 77 7.196 12.609 6.575 1.00 45.13 C ATOM 1211 O VAL A 77 7.563 13.789 6.502 1.00 75.20 O ATOM 1212 CB VAL A 77 6.317 12.475 4.132 1.00 23.22 C ATOM 1213 CG1 VAL A 77 7.783 12.311 3.672 1.00 43.04 C ATOM 1214 CG2 VAL A 77 5.385 11.669 3.204 1.00 61.34 C ATOM 0 H VAL A 77 4.266 13.041 5.480 1.00 34.14 H new ATOM 0 HA VAL A 77 6.171 10.951 5.654 1.00 30.25 H new ATOM 0 HB VAL A 77 6.071 13.535 4.070 1.00 23.22 H new ATOM 0 HG11 VAL A 77 7.875 12.623 2.632 1.00 43.04 H new ATOM 0 HG12 VAL A 77 8.431 12.928 4.295 1.00 43.04 H new ATOM 0 HG13 VAL A 77 8.079 11.266 3.764 1.00 43.04 H new ATOM 0 HG21 VAL A 77 5.543 11.979 2.171 1.00 61.34 H new ATOM 0 HG22 VAL A 77 5.605 10.606 3.301 1.00 61.34 H new ATOM 0 HG23 VAL A 77 4.347 11.852 3.483 1.00 61.34 H new ATOM 1224 N VAL A 78 7.619 11.759 7.523 1.00 2.32 N ATOM 1225 CA VAL A 78 8.697 12.056 8.474 1.00 33.44 C ATOM 1226 C VAL A 78 10.041 12.053 7.715 1.00 34.42 C ATOM 1227 O VAL A 78 10.916 12.883 7.971 1.00 73.42 O ATOM 1228 CB VAL A 78 8.739 10.994 9.653 1.00 23.22 C ATOM 1229 CG1 VAL A 78 9.674 11.441 10.797 1.00 62.13 C ATOM 1230 CG2 VAL A 78 7.322 10.673 10.191 1.00 54.12 C ATOM 0 H VAL A 78 7.214 10.832 7.651 1.00 2.32 H new ATOM 0 HA VAL A 78 8.515 13.034 8.919 1.00 33.44 H new ATOM 0 HB VAL A 78 9.149 10.076 9.231 1.00 23.22 H new ATOM 0 HG11 VAL A 78 9.674 10.686 11.583 1.00 62.13 H new ATOM 0 HG12 VAL A 78 10.686 11.564 10.412 1.00 62.13 H new ATOM 0 HG13 VAL A 78 9.323 12.389 11.204 1.00 62.13 H new ATOM 0 HG21 VAL A 78 7.396 9.942 10.996 1.00 54.12 H new ATOM 0 HG22 VAL A 78 6.861 11.585 10.570 1.00 54.12 H new ATOM 0 HG23 VAL A 78 6.711 10.265 9.386 1.00 54.12 H new ATOM 1240 N LYS A 79 10.170 11.091 6.768 1.00 21.44 N ATOM 1241 CA LYS A 79 11.369 10.903 5.909 1.00 3.43 C ATOM 1242 C LYS A 79 10.943 10.485 4.491 1.00 21.22 C ATOM 1243 O LYS A 79 9.888 9.873 4.324 1.00 35.11 O ATOM 1244 CB LYS A 79 12.326 9.823 6.489 1.00 54.13 C ATOM 1245 CG LYS A 79 12.931 10.168 7.863 1.00 24.11 C ATOM 1246 CD LYS A 79 13.882 9.074 8.391 1.00 13.22 C ATOM 1247 CE LYS A 79 14.460 9.424 9.774 1.00 75.21 C ATOM 1248 NZ LYS A 79 15.469 8.438 10.228 1.00 60.34 N ATOM 0 H LYS A 79 9.433 10.413 6.576 1.00 21.44 H new ATOM 0 HA LYS A 79 11.899 11.855 5.876 1.00 3.43 H new ATOM 0 HB2 LYS A 79 11.782 8.882 6.573 1.00 54.13 H new ATOM 0 HB3 LYS A 79 13.138 9.659 5.781 1.00 54.13 H new ATOM 0 HG2 LYS A 79 13.474 11.110 7.789 1.00 24.11 H new ATOM 0 HG3 LYS A 79 12.125 10.320 8.581 1.00 24.11 H new ATOM 0 HD2 LYS A 79 13.345 8.127 8.452 1.00 13.22 H new ATOM 0 HD3 LYS A 79 14.699 8.932 7.683 1.00 13.22 H new ATOM 0 HE2 LYS A 79 14.914 10.414 9.735 1.00 75.21 H new ATOM 0 HE3 LYS A 79 13.650 9.473 10.502 1.00 75.21 H new ATOM 0 HZ1 LYS A 79 15.829 8.716 11.163 1.00 60.34 H new ATOM 0 HZ2 LYS A 79 15.031 7.497 10.291 1.00 60.34 H new ATOM 0 HZ3 LYS A 79 16.256 8.409 9.549 1.00 60.34 H new ATOM 1262 N VAL A 80 11.772 10.822 3.488 1.00 75.01 N ATOM 1263 CA VAL A 80 11.562 10.433 2.073 1.00 65.20 C ATOM 1264 C VAL A 80 12.936 10.300 1.372 1.00 32.14 C ATOM 1265 O VAL A 80 13.799 11.173 1.527 1.00 52.20 O ATOM 1266 CB VAL A 80 10.652 11.477 1.306 1.00 33.22 C ATOM 1267 CG1 VAL A 80 11.296 12.882 1.286 1.00 23.12 C ATOM 1268 CG2 VAL A 80 10.299 10.975 -0.124 1.00 34.10 C ATOM 0 H VAL A 80 12.616 11.377 3.633 1.00 75.01 H new ATOM 0 HA VAL A 80 11.042 9.475 2.053 1.00 65.20 H new ATOM 0 HB VAL A 80 9.714 11.567 1.855 1.00 33.22 H new ATOM 0 HG11 VAL A 80 10.644 13.573 0.752 1.00 23.12 H new ATOM 0 HG12 VAL A 80 11.436 13.233 2.309 1.00 23.12 H new ATOM 0 HG13 VAL A 80 12.262 12.832 0.784 1.00 23.12 H new ATOM 0 HG21 VAL A 80 9.673 11.714 -0.625 1.00 34.10 H new ATOM 0 HG22 VAL A 80 11.216 10.829 -0.695 1.00 34.10 H new ATOM 0 HG23 VAL A 80 9.760 10.030 -0.055 1.00 34.10 H new ATOM 1278 N GLN A 81 13.160 9.191 0.639 1.00 73.41 N ATOM 1279 CA GLN A 81 14.404 8.955 -0.133 1.00 22.35 C ATOM 1280 C GLN A 81 14.067 8.274 -1.476 1.00 73.11 C ATOM 1281 O GLN A 81 13.166 7.421 -1.552 1.00 53.24 O ATOM 1282 CB GLN A 81 15.421 8.082 0.666 1.00 54.44 C ATOM 1283 CG GLN A 81 15.843 8.662 2.035 1.00 30.35 C ATOM 1284 CD GLN A 81 16.832 7.789 2.814 1.00 43.14 C ATOM 1285 OE1 GLN A 81 17.659 7.086 2.235 1.00 35.50 O ATOM 1286 NE2 GLN A 81 16.746 7.826 4.136 1.00 51.44 N ATOM 0 H GLN A 81 12.484 8.431 0.563 1.00 73.41 H new ATOM 0 HA GLN A 81 14.870 9.922 -0.320 1.00 22.35 H new ATOM 0 HB2 GLN A 81 14.985 7.096 0.825 1.00 54.44 H new ATOM 0 HB3 GLN A 81 16.314 7.941 0.057 1.00 54.44 H new ATOM 0 HG2 GLN A 81 16.289 9.644 1.878 1.00 30.35 H new ATOM 0 HG3 GLN A 81 14.951 8.811 2.643 1.00 30.35 H new ATOM 0 HE21 GLN A 81 16.049 8.420 4.585 1.00 51.44 H new ATOM 0 HE22 GLN A 81 17.377 7.261 4.704 1.00 51.44 H new ATOM 1295 N ARG A 82 14.797 8.674 -2.532 1.00 30.00 N ATOM 1296 CA ARG A 82 14.630 8.149 -3.903 1.00 2.43 C ATOM 1297 C ARG A 82 15.819 7.231 -4.225 1.00 52.14 C ATOM 1298 O ARG A 82 16.961 7.702 -4.278 1.00 22.01 O ATOM 1299 CB ARG A 82 14.581 9.325 -4.917 1.00 34.32 C ATOM 1300 CG ARG A 82 13.616 10.466 -4.531 1.00 51.43 C ATOM 1301 CD ARG A 82 13.708 11.657 -5.495 1.00 13.33 C ATOM 1302 NE ARG A 82 12.939 12.823 -5.025 1.00 63.41 N ATOM 1303 CZ ARG A 82 12.854 13.997 -5.671 1.00 42.13 C ATOM 1304 NH1 ARG A 82 13.492 14.184 -6.820 1.00 32.23 N ATOM 1305 NH2 ARG A 82 12.142 14.986 -5.148 1.00 12.11 N ATOM 0 H ARG A 82 15.530 9.380 -2.459 1.00 30.00 H new ATOM 0 HA ARG A 82 13.698 7.588 -3.974 1.00 2.43 H new ATOM 0 HB2 ARG A 82 15.585 9.736 -5.025 1.00 34.32 H new ATOM 0 HB3 ARG A 82 14.290 8.935 -5.892 1.00 34.32 H new ATOM 0 HG2 ARG A 82 12.594 10.087 -4.521 1.00 51.43 H new ATOM 0 HG3 ARG A 82 13.841 10.802 -3.519 1.00 51.43 H new ATOM 0 HD2 ARG A 82 14.753 11.941 -5.618 1.00 13.33 H new ATOM 0 HD3 ARG A 82 13.342 11.355 -6.476 1.00 13.33 H new ATOM 0 HE ARG A 82 12.434 12.731 -4.144 1.00 63.41 H new ATOM 0 HH11 ARG A 82 14.053 13.432 -7.220 1.00 32.23 H new ATOM 0 HH12 ARG A 82 13.421 15.080 -7.303 1.00 32.23 H new ATOM 0 HH21 ARG A 82 11.661 14.853 -4.258 1.00 12.11 H new ATOM 0 HH22 ARG A 82 12.075 15.879 -5.636 1.00 12.11 H new ATOM 1319 N ASN A 83 15.562 5.934 -4.423 1.00 42.00 N ATOM 1320 CA ASN A 83 16.620 4.935 -4.665 1.00 34.30 C ATOM 1321 C ASN A 83 16.340 4.198 -5.975 1.00 73.04 C ATOM 1322 O ASN A 83 15.294 3.578 -6.119 1.00 31.42 O ATOM 1323 CB ASN A 83 16.696 3.944 -3.469 1.00 53.42 C ATOM 1324 CG ASN A 83 17.170 4.610 -2.161 1.00 43.33 C ATOM 1325 OD1 ASN A 83 16.676 4.306 -1.086 1.00 13.44 O ATOM 1326 ND2 ASN A 83 18.156 5.500 -2.243 1.00 4.32 N ATOM 0 H ASN A 83 14.620 5.543 -4.421 1.00 42.00 H new ATOM 0 HA ASN A 83 17.584 5.436 -4.751 1.00 34.30 H new ATOM 0 HB2 ASN A 83 15.713 3.501 -3.309 1.00 53.42 H new ATOM 0 HB3 ASN A 83 17.375 3.130 -3.722 1.00 53.42 H new ATOM 0 HD21 ASN A 83 18.514 5.944 -1.397 1.00 4.32 H new ATOM 0 HD22 ASN A 83 18.553 5.739 -3.152 1.00 4.32 H new ATOM 1333 N GLN A 84 17.281 4.269 -6.932 1.00 22.24 N ATOM 1334 CA GLN A 84 17.143 3.581 -8.226 1.00 24.00 C ATOM 1335 C GLN A 84 17.716 2.171 -8.065 1.00 11.05 C ATOM 1336 O GLN A 84 18.920 1.946 -8.260 1.00 1.34 O ATOM 1337 CB GLN A 84 17.879 4.358 -9.368 1.00 23.13 C ATOM 1338 CG GLN A 84 17.736 5.900 -9.366 1.00 12.14 C ATOM 1339 CD GLN A 84 16.305 6.463 -9.434 1.00 50.41 C ATOM 1340 OE1 GLN A 84 15.352 5.907 -8.903 1.00 52.10 O ATOM 1341 NE2 GLN A 84 16.156 7.590 -10.095 1.00 64.22 N ATOM 0 H GLN A 84 18.148 4.798 -6.833 1.00 22.24 H new ATOM 0 HA GLN A 84 16.092 3.533 -8.511 1.00 24.00 H new ATOM 0 HB2 GLN A 84 18.940 4.115 -9.315 1.00 23.13 H new ATOM 0 HB3 GLN A 84 17.513 3.984 -10.324 1.00 23.13 H new ATOM 0 HG2 GLN A 84 18.210 6.284 -8.463 1.00 12.14 H new ATOM 0 HG3 GLN A 84 18.297 6.295 -10.213 1.00 12.14 H new ATOM 0 HE21 GLN A 84 16.963 8.037 -10.530 1.00 64.22 H new ATOM 0 HE22 GLN A 84 15.233 8.017 -10.173 1.00 64.22 H new ATOM 1350 N SER A 85 16.852 1.228 -7.663 1.00 65.23 N ATOM 1351 CA SER A 85 17.274 -0.124 -7.285 1.00 60.13 C ATOM 1352 C SER A 85 16.211 -1.157 -7.718 1.00 41.41 C ATOM 1353 O SER A 85 15.181 -0.795 -8.305 1.00 61.03 O ATOM 1354 CB SER A 85 17.562 -0.166 -5.761 1.00 21.12 C ATOM 1355 OG SER A 85 18.232 -1.358 -5.386 1.00 35.22 O ATOM 0 H SER A 85 15.846 1.382 -7.592 1.00 65.23 H new ATOM 0 HA SER A 85 18.196 -0.388 -7.803 1.00 60.13 H new ATOM 0 HB2 SER A 85 18.168 0.696 -5.482 1.00 21.12 H new ATOM 0 HB3 SER A 85 16.624 -0.087 -5.211 1.00 21.12 H new ATOM 0 HG SER A 85 18.804 -1.181 -4.610 1.00 35.22 H new ATOM 1361 N ASP A 86 16.485 -2.440 -7.431 1.00 31.13 N ATOM 1362 CA ASP A 86 15.676 -3.577 -7.916 1.00 61.30 C ATOM 1363 C ASP A 86 14.579 -3.983 -6.899 1.00 3.02 C ATOM 1364 O ASP A 86 14.720 -3.715 -5.704 1.00 22.12 O ATOM 1365 CB ASP A 86 16.604 -4.785 -8.211 1.00 45.22 C ATOM 1366 CG ASP A 86 17.617 -4.492 -9.326 1.00 22.20 C ATOM 1367 OD1 ASP A 86 17.280 -4.672 -10.518 1.00 60.15 O ATOM 1368 OD2 ASP A 86 18.745 -4.043 -9.018 1.00 41.10 O ATOM 0 H ASP A 86 17.277 -2.722 -6.854 1.00 31.13 H new ATOM 0 HA ASP A 86 15.172 -3.265 -8.831 1.00 61.30 H new ATOM 0 HB2 ASP A 86 17.139 -5.058 -7.301 1.00 45.22 H new ATOM 0 HB3 ASP A 86 15.996 -5.645 -8.494 1.00 45.22 H new ATOM 1373 N PRO A 87 13.468 -4.662 -7.371 1.00 34.23 N ATOM 1374 CA PRO A 87 12.372 -5.167 -6.494 1.00 63.51 C ATOM 1375 C PRO A 87 12.810 -6.314 -5.549 1.00 52.31 C ATOM 1376 O PRO A 87 12.028 -6.766 -4.712 1.00 12.12 O ATOM 1377 CB PRO A 87 11.306 -5.656 -7.511 1.00 2.41 C ATOM 1378 CG PRO A 87 12.076 -5.996 -8.740 1.00 62.30 C ATOM 1379 CD PRO A 87 13.179 -4.969 -8.805 1.00 10.33 C ATOM 0 HA PRO A 87 12.016 -4.395 -5.812 1.00 63.51 H new ATOM 0 HB2 PRO A 87 10.766 -6.523 -7.131 1.00 2.41 H new ATOM 0 HB3 PRO A 87 10.566 -4.881 -7.710 1.00 2.41 H new ATOM 0 HG2 PRO A 87 12.480 -7.007 -8.686 1.00 62.30 H new ATOM 0 HG3 PRO A 87 11.444 -5.953 -9.627 1.00 62.30 H new ATOM 0 HD2 PRO A 87 14.059 -5.360 -9.315 1.00 10.33 H new ATOM 0 HD3 PRO A 87 12.864 -4.078 -9.349 1.00 10.33 H new ATOM 1387 N THR A 88 14.054 -6.793 -5.705 1.00 54.50 N ATOM 1388 CA THR A 88 14.658 -7.768 -4.779 1.00 45.11 C ATOM 1389 C THR A 88 14.928 -7.128 -3.408 1.00 41.34 C ATOM 1390 O THR A 88 14.930 -7.818 -2.389 1.00 11.22 O ATOM 1391 CB THR A 88 15.982 -8.331 -5.359 1.00 24.12 C ATOM 1392 OG1 THR A 88 16.869 -7.241 -5.659 1.00 71.44 O ATOM 1393 CG2 THR A 88 15.746 -9.163 -6.630 1.00 4.43 C ATOM 0 H THR A 88 14.668 -6.518 -6.472 1.00 54.50 H new ATOM 0 HA THR A 88 13.949 -8.586 -4.653 1.00 45.11 H new ATOM 0 HB THR A 88 16.423 -8.988 -4.610 1.00 24.12 H new ATOM 0 HG1 THR A 88 17.708 -7.593 -6.024 1.00 71.44 H new ATOM 0 HG21 THR A 88 16.700 -9.537 -7.002 1.00 4.43 H new ATOM 0 HG22 THR A 88 15.092 -10.003 -6.398 1.00 4.43 H new ATOM 0 HG23 THR A 88 15.279 -8.539 -7.392 1.00 4.43 H new ATOM 1401 N MET A 89 15.160 -5.802 -3.420 1.00 50.43 N ATOM 1402 CA MET A 89 15.338 -5.002 -2.193 1.00 62.12 C ATOM 1403 C MET A 89 14.059 -5.030 -1.353 1.00 72.12 C ATOM 1404 O MET A 89 14.123 -5.189 -0.138 1.00 62.44 O ATOM 1405 CB MET A 89 15.735 -3.550 -2.545 1.00 40.25 C ATOM 1406 CG MET A 89 17.045 -3.451 -3.326 1.00 11.43 C ATOM 1407 SD MET A 89 18.427 -4.230 -2.459 1.00 73.04 S ATOM 1408 CE MET A 89 19.753 -4.043 -3.653 1.00 24.22 C ATOM 0 H MET A 89 15.229 -5.256 -4.279 1.00 50.43 H new ATOM 0 HA MET A 89 16.145 -5.439 -1.604 1.00 62.12 H new ATOM 0 HB2 MET A 89 14.936 -3.095 -3.131 1.00 40.25 H new ATOM 0 HB3 MET A 89 15.825 -2.973 -1.625 1.00 40.25 H new ATOM 0 HG2 MET A 89 16.920 -3.922 -4.301 1.00 11.43 H new ATOM 0 HG3 MET A 89 17.278 -2.402 -3.507 1.00 11.43 H new ATOM 0 HE1 MET A 89 20.668 -4.479 -3.252 1.00 24.22 H new ATOM 0 HE2 MET A 89 19.484 -4.552 -4.578 1.00 24.22 H new ATOM 0 HE3 MET A 89 19.914 -2.984 -3.855 1.00 24.22 H new ATOM 1418 N PHE A 90 12.909 -4.901 -2.047 1.00 33.51 N ATOM 1419 CA PHE A 90 11.550 -5.045 -1.465 1.00 35.42 C ATOM 1420 C PHE A 90 11.435 -6.356 -0.650 1.00 72.02 C ATOM 1421 O PHE A 90 10.952 -6.350 0.485 1.00 12.10 O ATOM 1422 CB PHE A 90 10.491 -4.955 -2.624 1.00 44.54 C ATOM 1423 CG PHE A 90 9.196 -5.770 -2.449 1.00 0.43 C ATOM 1424 CD1 PHE A 90 8.148 -5.299 -1.665 1.00 34.33 C ATOM 1425 CD2 PHE A 90 9.041 -7.012 -3.076 1.00 54.43 C ATOM 1426 CE1 PHE A 90 6.990 -6.035 -1.510 1.00 64.44 C ATOM 1427 CE2 PHE A 90 7.885 -7.746 -2.920 1.00 34.33 C ATOM 1428 CZ PHE A 90 6.859 -7.260 -2.136 1.00 34.31 C ATOM 0 H PHE A 90 12.894 -4.690 -3.045 1.00 33.51 H new ATOM 0 HA PHE A 90 11.355 -4.236 -0.761 1.00 35.42 H new ATOM 0 HB2 PHE A 90 10.218 -3.908 -2.753 1.00 44.54 H new ATOM 0 HB3 PHE A 90 10.971 -5.276 -3.548 1.00 44.54 H new ATOM 0 HD1 PHE A 90 8.241 -4.344 -1.170 1.00 34.33 H new ATOM 0 HD2 PHE A 90 9.839 -7.401 -3.691 1.00 54.43 H new ATOM 0 HE1 PHE A 90 6.186 -5.653 -0.899 1.00 64.44 H new ATOM 0 HE2 PHE A 90 7.782 -8.702 -3.412 1.00 34.33 H new ATOM 0 HZ PHE A 90 5.954 -7.836 -2.012 1.00 34.31 H new ATOM 1438 N ASN A 91 11.923 -7.461 -1.233 1.00 24.53 N ATOM 1439 CA ASN A 91 11.906 -8.788 -0.586 1.00 62.22 C ATOM 1440 C ASN A 91 12.839 -8.807 0.641 1.00 24.32 C ATOM 1441 O ASN A 91 12.446 -9.255 1.722 1.00 5.52 O ATOM 1442 CB ASN A 91 12.334 -9.871 -1.600 1.00 33.33 C ATOM 1443 CG ASN A 91 12.445 -11.265 -0.980 1.00 21.34 C ATOM 1444 OD1 ASN A 91 13.512 -11.679 -0.527 1.00 51.15 O ATOM 1445 ND2 ASN A 91 11.341 -11.986 -0.922 1.00 23.42 N ATOM 0 H ASN A 91 12.340 -7.464 -2.164 1.00 24.53 H new ATOM 0 HA ASN A 91 10.892 -8.998 -0.247 1.00 62.22 H new ATOM 0 HB2 ASN A 91 11.613 -9.900 -2.417 1.00 33.33 H new ATOM 0 HB3 ASN A 91 13.296 -9.595 -2.033 1.00 33.33 H new ATOM 0 HD21 ASN A 91 11.358 -12.912 -0.494 1.00 23.42 H new ATOM 0 HD22 ASN A 91 10.471 -11.618 -1.306 1.00 23.42 H new ATOM 1452 N LYS A 92 14.062 -8.297 0.429 1.00 73.01 N ATOM 1453 CA LYS A 92 15.152 -8.282 1.424 1.00 22.20 C ATOM 1454 C LYS A 92 14.717 -7.638 2.758 1.00 61.22 C ATOM 1455 O LYS A 92 14.901 -8.216 3.825 1.00 74.32 O ATOM 1456 CB LYS A 92 16.370 -7.518 0.838 1.00 3.21 C ATOM 1457 CG LYS A 92 17.586 -7.421 1.782 1.00 51.22 C ATOM 1458 CD LYS A 92 18.754 -6.616 1.167 1.00 61.25 C ATOM 1459 CE LYS A 92 19.982 -6.585 2.087 1.00 21.14 C ATOM 1460 NZ LYS A 92 20.497 -7.948 2.374 1.00 11.34 N ATOM 0 H LYS A 92 14.329 -7.873 -0.459 1.00 73.01 H new ATOM 0 HA LYS A 92 15.423 -9.316 1.640 1.00 22.20 H new ATOM 0 HB2 LYS A 92 16.681 -8.010 -0.083 1.00 3.21 H new ATOM 0 HB3 LYS A 92 16.054 -6.510 0.570 1.00 3.21 H new ATOM 0 HG2 LYS A 92 17.279 -6.952 2.717 1.00 51.22 H new ATOM 0 HG3 LYS A 92 17.931 -8.425 2.028 1.00 51.22 H new ATOM 0 HD2 LYS A 92 19.031 -7.055 0.208 1.00 61.25 H new ATOM 0 HD3 LYS A 92 18.425 -5.596 0.968 1.00 61.25 H new ATOM 0 HE2 LYS A 92 20.769 -5.991 1.622 1.00 21.14 H new ATOM 0 HE3 LYS A 92 19.721 -6.091 3.023 1.00 21.14 H new ATOM 0 HZ1 LYS A 92 21.440 -7.879 2.808 1.00 11.34 H new ATOM 0 HZ2 LYS A 92 19.850 -8.433 3.028 1.00 11.34 H new ATOM 0 HZ3 LYS A 92 20.563 -8.488 1.488 1.00 11.34 H new ATOM 1474 N ILE A 93 14.121 -6.455 2.664 1.00 23.45 N ATOM 1475 CA ILE A 93 13.722 -5.644 3.835 1.00 31.34 C ATOM 1476 C ILE A 93 12.392 -6.144 4.445 1.00 31.22 C ATOM 1477 O ILE A 93 12.139 -5.933 5.635 1.00 35.20 O ATOM 1478 CB ILE A 93 13.662 -4.128 3.436 1.00 70.01 C ATOM 1479 CG1 ILE A 93 12.599 -3.897 2.306 1.00 45.20 C ATOM 1480 CG2 ILE A 93 15.069 -3.643 3.014 1.00 4.30 C ATOM 1481 CD1 ILE A 93 12.830 -2.702 1.395 1.00 72.34 C ATOM 0 H ILE A 93 13.894 -6.018 1.771 1.00 23.45 H new ATOM 0 HA ILE A 93 14.475 -5.757 4.615 1.00 31.34 H new ATOM 0 HB ILE A 93 13.347 -3.539 4.297 1.00 70.01 H new ATOM 0 HG12 ILE A 93 12.556 -4.794 1.688 1.00 45.20 H new ATOM 0 HG13 ILE A 93 11.621 -3.786 2.774 1.00 45.20 H new ATOM 0 HG21 ILE A 93 15.023 -2.590 2.738 1.00 4.30 H new ATOM 0 HG22 ILE A 93 15.762 -3.770 3.846 1.00 4.30 H new ATOM 0 HG23 ILE A 93 15.415 -4.227 2.161 1.00 4.30 H new ATOM 0 HD11 ILE A 93 12.030 -2.648 0.656 1.00 72.34 H new ATOM 0 HD12 ILE A 93 12.838 -1.788 1.989 1.00 72.34 H new ATOM 0 HD13 ILE A 93 13.788 -2.812 0.886 1.00 72.34 H new ATOM 1493 N ALA A 94 11.547 -6.782 3.607 1.00 61.14 N ATOM 1494 CA ALA A 94 10.315 -7.458 4.068 1.00 14.43 C ATOM 1495 C ALA A 94 10.644 -8.652 4.988 1.00 54.34 C ATOM 1496 O ALA A 94 9.983 -8.860 6.015 1.00 70.03 O ATOM 1497 CB ALA A 94 9.482 -7.924 2.863 1.00 33.44 C ATOM 0 H ALA A 94 11.698 -6.843 2.600 1.00 61.14 H new ATOM 0 HA ALA A 94 9.732 -6.741 4.645 1.00 14.43 H new ATOM 0 HB1 ALA A 94 8.578 -8.420 3.216 1.00 33.44 H new ATOM 0 HB2 ALA A 94 9.209 -7.062 2.254 1.00 33.44 H new ATOM 0 HB3 ALA A 94 10.068 -8.621 2.263 1.00 33.44 H new ATOM 1503 N VAL A 95 11.678 -9.428 4.602 1.00 12.02 N ATOM 1504 CA VAL A 95 12.068 -10.662 5.320 1.00 44.42 C ATOM 1505 C VAL A 95 13.013 -10.356 6.501 1.00 11.42 C ATOM 1506 O VAL A 95 12.978 -11.048 7.527 1.00 42.22 O ATOM 1507 CB VAL A 95 12.688 -11.743 4.346 1.00 3.15 C ATOM 1508 CG1 VAL A 95 14.037 -11.286 3.743 1.00 61.55 C ATOM 1509 CG2 VAL A 95 12.806 -13.132 5.030 1.00 43.54 C ATOM 0 H VAL A 95 12.262 -9.221 3.792 1.00 12.02 H new ATOM 0 HA VAL A 95 11.155 -11.091 5.733 1.00 44.42 H new ATOM 0 HB VAL A 95 11.993 -11.848 3.513 1.00 3.15 H new ATOM 0 HG11 VAL A 95 14.422 -12.062 3.082 1.00 61.55 H new ATOM 0 HG12 VAL A 95 13.889 -10.367 3.176 1.00 61.55 H new ATOM 0 HG13 VAL A 95 14.752 -11.106 4.546 1.00 61.55 H new ATOM 0 HG21 VAL A 95 13.236 -13.847 4.329 1.00 43.54 H new ATOM 0 HG22 VAL A 95 13.448 -13.052 5.907 1.00 43.54 H new ATOM 0 HG23 VAL A 95 11.816 -13.473 5.335 1.00 43.54 H new ATOM 1519 N PHE A 96 13.827 -9.289 6.364 1.00 12.22 N ATOM 1520 CA PHE A 96 14.793 -8.874 7.403 1.00 3.24 C ATOM 1521 C PHE A 96 14.086 -8.028 8.479 1.00 52.45 C ATOM 1522 O PHE A 96 14.492 -8.060 9.639 1.00 61.14 O ATOM 1523 CB PHE A 96 15.974 -8.087 6.763 1.00 72.03 C ATOM 1524 CG PHE A 96 17.138 -7.773 7.721 1.00 1.42 C ATOM 1525 CD1 PHE A 96 18.078 -8.750 8.051 1.00 70.25 C ATOM 1526 CD2 PHE A 96 17.290 -6.510 8.291 1.00 65.04 C ATOM 1527 CE1 PHE A 96 19.125 -8.475 8.910 1.00 61.53 C ATOM 1528 CE2 PHE A 96 18.338 -6.235 9.152 1.00 32.44 C ATOM 1529 CZ PHE A 96 19.257 -7.220 9.461 1.00 24.10 C ATOM 0 H PHE A 96 13.834 -8.694 5.536 1.00 12.22 H new ATOM 0 HA PHE A 96 15.200 -9.765 7.881 1.00 3.24 H new ATOM 0 HB2 PHE A 96 16.360 -8.661 5.921 1.00 72.03 H new ATOM 0 HB3 PHE A 96 15.591 -7.149 6.360 1.00 72.03 H new ATOM 0 HD1 PHE A 96 17.986 -9.739 7.627 1.00 70.25 H new ATOM 0 HD2 PHE A 96 16.578 -5.733 8.057 1.00 65.04 H new ATOM 0 HE1 PHE A 96 19.842 -9.247 9.150 1.00 61.53 H new ATOM 0 HE2 PHE A 96 18.438 -5.250 9.583 1.00 32.44 H new ATOM 0 HZ PHE A 96 20.076 -7.006 10.132 1.00 24.10 H new ATOM 1692 N ASP B 9 -4.124 -9.030 16.750 1.00 71.40 N ATOM 1693 CA ASP B 9 -5.151 -7.974 16.884 1.00 10.43 C ATOM 1694 C ASP B 9 -5.555 -7.483 15.484 1.00 44.11 C ATOM 1695 O ASP B 9 -6.675 -7.000 15.270 1.00 63.01 O ATOM 1696 CB ASP B 9 -4.603 -6.813 17.734 1.00 31.54 C ATOM 1697 CG ASP B 9 -5.675 -5.816 18.189 1.00 22.00 C ATOM 1698 OD1 ASP B 9 -6.335 -6.073 19.221 1.00 73.45 O ATOM 1699 OD2 ASP B 9 -5.875 -4.778 17.526 1.00 13.24 O ATOM 0 HA ASP B 9 -6.031 -8.376 17.386 1.00 10.43 H new ATOM 0 HB2 ASP B 9 -4.105 -7.223 18.613 1.00 31.54 H new ATOM 0 HB3 ASP B 9 -3.846 -6.280 17.159 1.00 31.54 H new ATOM 1704 N ASN B 10 -4.601 -7.620 14.535 1.00 3.12 N ATOM 1705 CA ASN B 10 -4.834 -7.348 13.117 1.00 15.52 C ATOM 1706 C ASN B 10 -5.534 -8.538 12.431 1.00 53.34 C ATOM 1707 O ASN B 10 -5.644 -9.641 12.991 1.00 53.25 O ATOM 1708 CB ASN B 10 -3.507 -6.978 12.383 1.00 1.51 C ATOM 1709 CG ASN B 10 -2.397 -8.053 12.421 1.00 54.23 C ATOM 1710 OD1 ASN B 10 -2.634 -9.251 12.569 1.00 63.42 O ATOM 1711 ND2 ASN B 10 -1.166 -7.622 12.247 1.00 15.24 N ATOM 0 H ASN B 10 -3.649 -7.923 14.742 1.00 3.12 H new ATOM 0 HA ASN B 10 -5.498 -6.486 13.052 1.00 15.52 H new ATOM 0 HB2 ASN B 10 -3.739 -6.759 11.341 1.00 1.51 H new ATOM 0 HB3 ASN B 10 -3.114 -6.061 12.822 1.00 1.51 H new ATOM 0 HD21 ASN B 10 -0.391 -8.285 12.233 1.00 15.24 H new ATOM 0 HD22 ASN B 10 -0.987 -6.625 12.126 1.00 15.24 H new ATOM 1718 N VAL B 11 -6.001 -8.289 11.207 1.00 3.33 N ATOM 1719 CA VAL B 11 -6.661 -9.271 10.348 1.00 12.01 C ATOM 1720 C VAL B 11 -6.056 -9.146 8.939 1.00 61.45 C ATOM 1721 O VAL B 11 -5.727 -8.035 8.490 1.00 65.52 O ATOM 1722 CB VAL B 11 -8.240 -9.090 10.312 1.00 21.50 C ATOM 1723 CG1 VAL B 11 -8.868 -9.343 11.709 1.00 43.22 C ATOM 1724 CG2 VAL B 11 -8.670 -7.697 9.769 1.00 13.53 C ATOM 0 H VAL B 11 -5.928 -7.369 10.773 1.00 3.33 H new ATOM 0 HA VAL B 11 -6.490 -10.269 10.752 1.00 12.01 H new ATOM 0 HB VAL B 11 -8.618 -9.840 9.617 1.00 21.50 H new ATOM 0 HG11 VAL B 11 -9.949 -9.212 11.651 1.00 43.22 H new ATOM 0 HG12 VAL B 11 -8.643 -10.360 12.030 1.00 43.22 H new ATOM 0 HG13 VAL B 11 -8.454 -8.635 12.427 1.00 43.22 H new ATOM 0 HG21 VAL B 11 -9.758 -7.628 9.766 1.00 13.53 H new ATOM 0 HG22 VAL B 11 -8.258 -6.915 10.407 1.00 13.53 H new ATOM 0 HG23 VAL B 11 -8.296 -7.571 8.753 1.00 13.53 H new ATOM 1734 N ILE B 12 -5.878 -10.289 8.264 1.00 31.22 N ATOM 1735 CA ILE B 12 -5.231 -10.359 6.945 1.00 22.21 C ATOM 1736 C ILE B 12 -6.318 -10.303 5.856 1.00 0.13 C ATOM 1737 O ILE B 12 -6.967 -11.313 5.547 1.00 62.31 O ATOM 1738 CB ILE B 12 -4.367 -11.673 6.796 1.00 31.04 C ATOM 1739 CG1 ILE B 12 -3.386 -11.849 8.002 1.00 42.15 C ATOM 1740 CG2 ILE B 12 -3.599 -11.698 5.452 1.00 24.32 C ATOM 1741 CD1 ILE B 12 -2.334 -10.764 8.167 1.00 72.23 C ATOM 0 H ILE B 12 -6.180 -11.197 8.618 1.00 31.22 H new ATOM 0 HA ILE B 12 -4.553 -9.512 6.837 1.00 22.21 H new ATOM 0 HB ILE B 12 -5.058 -12.516 6.800 1.00 31.04 H new ATOM 0 HG12 ILE B 12 -3.974 -11.900 8.919 1.00 42.15 H new ATOM 0 HG13 ILE B 12 -2.878 -12.807 7.895 1.00 42.15 H new ATOM 0 HG21 ILE B 12 -3.015 -12.616 5.384 1.00 24.32 H new ATOM 0 HG22 ILE B 12 -4.309 -11.657 4.626 1.00 24.32 H new ATOM 0 HG23 ILE B 12 -2.931 -10.838 5.399 1.00 24.32 H new ATOM 0 HD11 ILE B 12 -1.712 -10.989 9.033 1.00 72.23 H new ATOM 0 HD12 ILE B 12 -1.711 -10.722 7.273 1.00 72.23 H new ATOM 0 HD13 ILE B 12 -2.824 -9.801 8.313 1.00 72.23 H new ATOM 1753 N LEU B 13 -6.548 -9.101 5.324 1.00 21.11 N ATOM 1754 CA LEU B 13 -7.566 -8.859 4.294 1.00 34.31 C ATOM 1755 C LEU B 13 -6.916 -8.821 2.923 1.00 71.31 C ATOM 1756 O LEU B 13 -6.352 -7.801 2.526 1.00 51.32 O ATOM 1757 CB LEU B 13 -8.296 -7.530 4.566 1.00 11.12 C ATOM 1758 CG LEU B 13 -8.933 -7.395 5.969 1.00 11.33 C ATOM 1759 CD1 LEU B 13 -9.623 -6.034 6.115 1.00 65.44 C ATOM 1760 CD2 LEU B 13 -9.898 -8.570 6.272 1.00 23.21 C ATOM 0 H LEU B 13 -6.033 -8.263 5.595 1.00 21.11 H new ATOM 0 HA LEU B 13 -8.293 -9.671 4.322 1.00 34.31 H new ATOM 0 HB2 LEU B 13 -7.589 -6.712 4.427 1.00 11.12 H new ATOM 0 HB3 LEU B 13 -9.078 -7.406 3.817 1.00 11.12 H new ATOM 0 HG LEU B 13 -8.137 -7.446 6.712 1.00 11.33 H new ATOM 0 HD11 LEU B 13 -10.066 -5.955 7.108 1.00 65.44 H new ATOM 0 HD12 LEU B 13 -8.890 -5.238 5.980 1.00 65.44 H new ATOM 0 HD13 LEU B 13 -10.404 -5.939 5.361 1.00 65.44 H new ATOM 0 HD21 LEU B 13 -10.327 -8.442 7.266 1.00 23.21 H new ATOM 0 HD22 LEU B 13 -10.697 -8.585 5.531 1.00 23.21 H new ATOM 0 HD23 LEU B 13 -9.349 -9.511 6.232 1.00 23.21 H new ATOM 1772 N GLU B 14 -6.970 -9.937 2.205 1.00 14.04 N ATOM 1773 CA GLU B 14 -6.412 -10.016 0.861 1.00 74.45 C ATOM 1774 C GLU B 14 -7.462 -9.633 -0.181 1.00 55.10 C ATOM 1775 O GLU B 14 -8.654 -9.898 -0.012 1.00 53.52 O ATOM 1776 CB GLU B 14 -5.849 -11.418 0.579 1.00 74.13 C ATOM 1777 CG GLU B 14 -6.832 -12.587 0.756 1.00 43.54 C ATOM 1778 CD GLU B 14 -6.334 -13.879 0.097 1.00 10.24 C ATOM 1779 OE1 GLU B 14 -5.459 -14.564 0.667 1.00 30.34 O ATOM 1780 OE2 GLU B 14 -6.785 -14.180 -1.030 1.00 12.30 O ATOM 0 H GLU B 14 -7.397 -10.803 2.534 1.00 14.04 H new ATOM 0 HA GLU B 14 -5.588 -9.305 0.795 1.00 74.45 H new ATOM 0 HB2 GLU B 14 -5.472 -11.438 -0.444 1.00 74.13 H new ATOM 0 HB3 GLU B 14 -4.996 -11.584 1.236 1.00 74.13 H new ATOM 0 HG2 GLU B 14 -6.993 -12.764 1.819 1.00 43.54 H new ATOM 0 HG3 GLU B 14 -7.797 -12.314 0.329 1.00 43.54 H new ATOM 1787 N LEU B 15 -7.006 -8.964 -1.239 1.00 63.42 N ATOM 1788 CA LEU B 15 -7.814 -8.656 -2.412 1.00 24.34 C ATOM 1789 C LEU B 15 -6.905 -8.565 -3.641 1.00 55.20 C ATOM 1790 O LEU B 15 -5.911 -7.826 -3.645 1.00 55.51 O ATOM 1791 CB LEU B 15 -8.702 -7.373 -2.194 1.00 74.31 C ATOM 1792 CG LEU B 15 -8.101 -6.215 -1.325 1.00 24.11 C ATOM 1793 CD1 LEU B 15 -7.029 -5.395 -2.072 1.00 50.22 C ATOM 1794 CD2 LEU B 15 -9.212 -5.302 -0.753 1.00 41.31 C ATOM 0 H LEU B 15 -6.049 -8.616 -1.304 1.00 63.42 H new ATOM 0 HA LEU B 15 -8.526 -9.463 -2.583 1.00 24.34 H new ATOM 0 HB2 LEU B 15 -8.949 -6.965 -3.174 1.00 74.31 H new ATOM 0 HB3 LEU B 15 -9.639 -7.687 -1.734 1.00 74.31 H new ATOM 0 HG LEU B 15 -7.593 -6.694 -0.488 1.00 24.11 H new ATOM 0 HD11 LEU B 15 -6.651 -4.609 -1.418 1.00 50.22 H new ATOM 0 HD12 LEU B 15 -6.208 -6.050 -2.364 1.00 50.22 H new ATOM 0 HD13 LEU B 15 -7.469 -4.946 -2.962 1.00 50.22 H new ATOM 0 HD21 LEU B 15 -8.760 -4.510 -0.156 1.00 41.31 H new ATOM 0 HD22 LEU B 15 -9.778 -4.860 -1.573 1.00 41.31 H new ATOM 0 HD23 LEU B 15 -9.881 -5.892 -0.127 1.00 41.31 H new ATOM 1806 N THR B 16 -7.207 -9.376 -4.655 1.00 21.50 N ATOM 1807 CA THR B 16 -6.493 -9.352 -5.931 1.00 32.15 C ATOM 1808 C THR B 16 -7.179 -8.334 -6.818 1.00 73.35 C ATOM 1809 O THR B 16 -8.268 -8.587 -7.311 1.00 23.12 O ATOM 1810 CB THR B 16 -6.482 -10.750 -6.637 1.00 54.40 C ATOM 1811 OG1 THR B 16 -5.877 -11.727 -5.770 1.00 21.11 O ATOM 1812 CG2 THR B 16 -5.702 -10.712 -7.969 1.00 3.41 C ATOM 0 H THR B 16 -7.955 -10.069 -4.614 1.00 21.50 H new ATOM 0 HA THR B 16 -5.451 -9.088 -5.748 1.00 32.15 H new ATOM 0 HB THR B 16 -7.516 -11.019 -6.851 1.00 54.40 H new ATOM 0 HG1 THR B 16 -5.873 -12.601 -6.214 1.00 21.11 H new ATOM 0 HG21 THR B 16 -5.717 -11.701 -8.428 1.00 3.41 H new ATOM 0 HG22 THR B 16 -6.167 -9.992 -8.642 1.00 3.41 H new ATOM 0 HG23 THR B 16 -4.670 -10.417 -7.778 1.00 3.41 H new ATOM 1820 N VAL B 17 -6.577 -7.157 -6.942 1.00 23.14 N ATOM 1821 CA VAL B 17 -7.076 -6.102 -7.826 1.00 33.10 C ATOM 1822 C VAL B 17 -6.254 -6.105 -9.114 1.00 3.41 C ATOM 1823 O VAL B 17 -5.111 -6.564 -9.117 1.00 4.22 O ATOM 1824 CB VAL B 17 -7.044 -4.676 -7.148 1.00 11.13 C ATOM 1825 CG1 VAL B 17 -7.643 -4.732 -5.721 1.00 44.14 C ATOM 1826 CG2 VAL B 17 -5.628 -4.042 -7.145 1.00 10.42 C ATOM 0 H VAL B 17 -5.729 -6.904 -6.434 1.00 23.14 H new ATOM 0 HA VAL B 17 -8.122 -6.312 -8.047 1.00 33.10 H new ATOM 0 HB VAL B 17 -7.668 -4.022 -7.757 1.00 11.13 H new ATOM 0 HG11 VAL B 17 -7.610 -3.739 -5.274 1.00 44.14 H new ATOM 0 HG12 VAL B 17 -8.677 -5.073 -5.774 1.00 44.14 H new ATOM 0 HG13 VAL B 17 -7.064 -5.424 -5.110 1.00 44.14 H new ATOM 0 HG21 VAL B 17 -5.668 -3.063 -6.666 1.00 10.42 H new ATOM 0 HG22 VAL B 17 -4.942 -4.687 -6.595 1.00 10.42 H new ATOM 0 HG23 VAL B 17 -5.277 -3.930 -8.171 1.00 10.42 H new ATOM 1836 N ARG B 18 -6.848 -5.655 -10.220 1.00 3.11 N ATOM 1837 CA ARG B 18 -6.103 -5.382 -11.449 1.00 64.34 C ATOM 1838 C ARG B 18 -5.911 -3.870 -11.586 1.00 21.04 C ATOM 1839 O ARG B 18 -6.783 -3.088 -11.178 1.00 4.04 O ATOM 1840 CB ARG B 18 -6.784 -6.018 -12.676 1.00 20.11 C ATOM 1841 CG ARG B 18 -8.242 -5.597 -12.955 1.00 60.43 C ATOM 1842 CD ARG B 18 -8.806 -6.331 -14.188 1.00 42.04 C ATOM 1843 NE ARG B 18 -7.900 -6.200 -15.357 1.00 51.54 N ATOM 1844 CZ ARG B 18 -7.971 -6.926 -16.486 1.00 1.24 C ATOM 1845 NH1 ARG B 18 -8.924 -7.849 -16.653 1.00 22.30 N ATOM 1846 NH2 ARG B 18 -7.042 -6.774 -17.418 1.00 54.03 N ATOM 0 H ARG B 18 -7.849 -5.471 -10.289 1.00 3.11 H new ATOM 0 HA ARG B 18 -5.118 -5.846 -11.394 1.00 64.34 H new ATOM 0 HB2 ARG B 18 -6.187 -5.782 -13.557 1.00 20.11 H new ATOM 0 HB3 ARG B 18 -6.760 -7.101 -12.555 1.00 20.11 H new ATOM 0 HG2 ARG B 18 -8.860 -5.815 -12.084 1.00 60.43 H new ATOM 0 HG3 ARG B 18 -8.288 -4.520 -13.117 1.00 60.43 H new ATOM 0 HD2 ARG B 18 -8.948 -7.386 -13.952 1.00 42.04 H new ATOM 0 HD3 ARG B 18 -9.786 -5.925 -14.438 1.00 42.04 H new ATOM 0 HE ARG B 18 -7.161 -5.500 -15.298 1.00 51.54 H new ATOM 0 HH11 ARG B 18 -9.612 -8.011 -15.917 1.00 22.30 H new ATOM 0 HH12 ARG B 18 -8.963 -8.391 -17.516 1.00 22.30 H new ATOM 0 HH21 ARG B 18 -6.281 -6.110 -17.276 1.00 54.03 H new ATOM 0 HH22 ARG B 18 -7.088 -7.321 -18.278 1.00 54.03 H new ATOM 1860 N ASN B 19 -4.762 -3.477 -12.152 1.00 61.44 N ATOM 1861 CA ASN B 19 -4.255 -2.094 -12.097 1.00 22.33 C ATOM 1862 C ASN B 19 -5.035 -1.141 -13.031 1.00 60.50 C ATOM 1863 O ASN B 19 -4.606 -0.846 -14.150 1.00 4.14 O ATOM 1864 CB ASN B 19 -2.725 -2.061 -12.404 1.00 21.33 C ATOM 1865 CG ASN B 19 -1.857 -2.731 -11.323 1.00 21.11 C ATOM 1866 OD1 ASN B 19 -2.272 -3.694 -10.671 1.00 23.23 O ATOM 1867 ND2 ASN B 19 -0.643 -2.218 -11.122 1.00 55.51 N ATOM 0 H ASN B 19 -4.152 -4.113 -12.665 1.00 61.44 H new ATOM 0 HA ASN B 19 -4.414 -1.730 -11.082 1.00 22.33 H new ATOM 0 HB2 ASN B 19 -2.545 -2.556 -13.359 1.00 21.33 H new ATOM 0 HB3 ASN B 19 -2.410 -1.024 -12.518 1.00 21.33 H new ATOM 0 HD21 ASN B 19 -0.030 -2.622 -10.414 1.00 55.51 H new ATOM 0 HD22 ASN B 19 -0.328 -1.422 -11.676 1.00 55.51 H new ATOM 1874 N HIS B 20 -6.219 -0.703 -12.560 1.00 23.13 N ATOM 1875 CA HIS B 20 -6.962 0.427 -13.143 1.00 52.32 C ATOM 1876 C HIS B 20 -6.443 1.719 -12.460 1.00 11.13 C ATOM 1877 O HIS B 20 -5.912 1.632 -11.340 1.00 50.32 O ATOM 1878 CB HIS B 20 -8.502 0.271 -12.920 1.00 43.41 C ATOM 1879 CG HIS B 20 -9.115 -1.012 -13.438 1.00 44.35 C ATOM 1880 ND1 HIS B 20 -10.264 -1.562 -12.908 1.00 30.23 N ATOM 1881 CD2 HIS B 20 -8.754 -1.828 -14.454 1.00 42.25 C ATOM 1882 CE1 HIS B 20 -10.573 -2.658 -13.568 1.00 55.31 C ATOM 1883 NE2 HIS B 20 -9.674 -2.842 -14.514 1.00 71.13 N ATOM 0 H HIS B 20 -6.688 -1.127 -11.760 1.00 23.13 H new ATOM 0 HA HIS B 20 -6.802 0.464 -14.221 1.00 52.32 H new ATOM 0 HB2 HIS B 20 -8.705 0.343 -11.851 1.00 43.41 H new ATOM 0 HB3 HIS B 20 -9.006 1.111 -13.397 1.00 43.41 H new ATOM 0 HD2 HIS B 20 -7.897 -1.703 -15.100 1.00 42.25 H new ATOM 0 HE1 HIS B 20 -11.420 -3.298 -13.368 1.00 55.31 H new ATOM 0 HE2 HIS B 20 -9.665 -3.613 -15.182 1.00 71.13 H new ATOM 1892 N PRO B 21 -6.526 2.916 -13.116 1.00 11.34 N ATOM 1893 CA PRO B 21 -6.030 4.193 -12.534 1.00 30.15 C ATOM 1894 C PRO B 21 -6.524 4.476 -11.081 1.00 24.14 C ATOM 1895 O PRO B 21 -7.693 4.821 -10.863 1.00 4.45 O ATOM 1896 CB PRO B 21 -6.549 5.257 -13.532 1.00 73.01 C ATOM 1897 CG PRO B 21 -6.643 4.535 -14.840 1.00 64.42 C ATOM 1898 CD PRO B 21 -7.059 3.122 -14.496 1.00 32.25 C ATOM 0 HA PRO B 21 -4.946 4.181 -12.419 1.00 30.15 H new ATOM 0 HB2 PRO B 21 -7.519 5.649 -13.225 1.00 73.01 H new ATOM 0 HB3 PRO B 21 -5.868 6.106 -13.596 1.00 73.01 H new ATOM 0 HG2 PRO B 21 -7.372 5.009 -15.498 1.00 64.42 H new ATOM 0 HG3 PRO B 21 -5.687 4.546 -15.363 1.00 64.42 H new ATOM 0 HD2 PRO B 21 -8.142 3.006 -14.527 1.00 32.25 H new ATOM 0 HD3 PRO B 21 -6.641 2.400 -15.198 1.00 32.25 H new ATOM 1906 N GLY B 22 -5.620 4.264 -10.096 1.00 52.34 N ATOM 1907 CA GLY B 22 -5.850 4.645 -8.693 1.00 43.21 C ATOM 1908 C GLY B 22 -6.740 3.697 -7.910 1.00 52.40 C ATOM 1909 O GLY B 22 -7.651 4.132 -7.196 1.00 44.21 O ATOM 0 H GLY B 22 -4.714 3.824 -10.257 1.00 52.34 H new ATOM 0 HA2 GLY B 22 -4.886 4.715 -8.188 1.00 43.21 H new ATOM 0 HA3 GLY B 22 -6.295 5.640 -8.670 1.00 43.21 H new ATOM 1913 N VAL B 23 -6.463 2.395 -8.032 1.00 3.04 N ATOM 1914 CA VAL B 23 -7.188 1.340 -7.289 1.00 23.44 C ATOM 1915 C VAL B 23 -6.602 1.115 -5.889 1.00 54.00 C ATOM 1916 O VAL B 23 -7.314 0.695 -4.972 1.00 41.24 O ATOM 1917 CB VAL B 23 -7.265 0.019 -8.116 1.00 20.41 C ATOM 1918 CG1 VAL B 23 -8.033 0.288 -9.422 1.00 10.41 C ATOM 1919 CG2 VAL B 23 -5.871 -0.586 -8.404 1.00 61.33 C ATOM 0 H VAL B 23 -5.732 2.035 -8.646 1.00 3.04 H new ATOM 0 HA VAL B 23 -8.210 1.688 -7.140 1.00 23.44 H new ATOM 0 HB VAL B 23 -7.797 -0.723 -7.521 1.00 20.41 H new ATOM 0 HG11 VAL B 23 -8.091 -0.631 -10.006 1.00 10.41 H new ATOM 0 HG12 VAL B 23 -9.040 0.633 -9.187 1.00 10.41 H new ATOM 0 HG13 VAL B 23 -7.513 1.052 -9.999 1.00 10.41 H new ATOM 0 HG21 VAL B 23 -5.985 -1.503 -8.982 1.00 61.33 H new ATOM 0 HG22 VAL B 23 -5.274 0.129 -8.971 1.00 61.33 H new ATOM 0 HG23 VAL B 23 -5.370 -0.810 -7.462 1.00 61.33 H new ATOM 1929 N MET B 24 -5.302 1.411 -5.737 1.00 22.04 N ATOM 1930 CA MET B 24 -4.619 1.405 -4.427 1.00 43.23 C ATOM 1931 C MET B 24 -5.244 2.473 -3.501 1.00 63.24 C ATOM 1932 O MET B 24 -5.295 2.312 -2.279 1.00 32.34 O ATOM 1933 CB MET B 24 -3.096 1.676 -4.600 1.00 53.11 C ATOM 1934 CG MET B 24 -2.358 0.689 -5.521 1.00 23.14 C ATOM 1935 SD MET B 24 -2.840 0.850 -7.258 1.00 21.41 S ATOM 1936 CE MET B 24 -1.983 -0.541 -8.000 1.00 51.15 C ATOM 0 H MET B 24 -4.692 1.661 -6.515 1.00 22.04 H new ATOM 0 HA MET B 24 -4.746 0.421 -3.976 1.00 43.23 H new ATOM 0 HB2 MET B 24 -2.965 2.684 -4.994 1.00 53.11 H new ATOM 0 HB3 MET B 24 -2.625 1.654 -3.617 1.00 53.11 H new ATOM 0 HG2 MET B 24 -1.284 0.850 -5.431 1.00 23.14 H new ATOM 0 HG3 MET B 24 -2.557 -0.329 -5.187 1.00 23.14 H new ATOM 0 HE1 MET B 24 -2.026 -0.457 -9.086 1.00 51.15 H new ATOM 0 HE2 MET B 24 -0.942 -0.541 -7.677 1.00 51.15 H new ATOM 0 HE3 MET B 24 -2.460 -1.470 -7.689 1.00 51.15 H new ATOM 1946 N THR B 25 -5.733 3.559 -4.125 1.00 73.03 N ATOM 1947 CA THR B 25 -6.403 4.676 -3.436 1.00 60.42 C ATOM 1948 C THR B 25 -7.745 4.228 -2.815 1.00 30.52 C ATOM 1949 O THR B 25 -8.174 4.780 -1.798 1.00 23.30 O ATOM 1950 CB THR B 25 -6.626 5.861 -4.437 1.00 5.21 C ATOM 1951 OG1 THR B 25 -5.442 6.033 -5.233 1.00 24.44 O ATOM 1952 CG2 THR B 25 -6.944 7.191 -3.722 1.00 0.40 C ATOM 0 H THR B 25 -5.673 3.687 -5.135 1.00 73.03 H new ATOM 0 HA THR B 25 -5.761 5.013 -2.622 1.00 60.42 H new ATOM 0 HB THR B 25 -7.486 5.606 -5.057 1.00 5.21 H new ATOM 0 HG1 THR B 25 -5.576 6.772 -5.863 1.00 24.44 H new ATOM 0 HG21 THR B 25 -7.089 7.977 -4.463 1.00 0.40 H new ATOM 0 HG22 THR B 25 -7.853 7.078 -3.130 1.00 0.40 H new ATOM 0 HG23 THR B 25 -6.115 7.459 -3.067 1.00 0.40 H new ATOM 1960 N HIS B 26 -8.388 3.209 -3.438 1.00 74.43 N ATOM 1961 CA HIS B 26 -9.688 2.670 -2.974 1.00 71.34 C ATOM 1962 C HIS B 26 -9.543 2.039 -1.583 1.00 72.54 C ATOM 1963 O HIS B 26 -10.231 2.440 -0.646 1.00 5.44 O ATOM 1964 CB HIS B 26 -10.264 1.617 -3.968 1.00 75.02 C ATOM 1965 CG HIS B 26 -10.495 2.132 -5.373 1.00 54.32 C ATOM 1966 ND1 HIS B 26 -10.550 1.314 -6.483 1.00 33.25 N ATOM 1967 CD2 HIS B 26 -10.681 3.393 -5.839 1.00 32.00 C ATOM 1968 CE1 HIS B 26 -10.746 2.051 -7.559 1.00 41.34 C ATOM 1969 NE2 HIS B 26 -10.830 3.315 -7.198 1.00 5.23 N ATOM 0 H HIS B 26 -8.023 2.742 -4.268 1.00 74.43 H new ATOM 0 HA HIS B 26 -10.385 3.507 -2.923 1.00 71.34 H new ATOM 0 HB2 HIS B 26 -9.580 0.769 -4.014 1.00 75.02 H new ATOM 0 HB3 HIS B 26 -11.209 1.243 -3.573 1.00 75.02 H new ATOM 0 HD1 HIS B 26 -10.454 0.299 -6.473 1.00 33.25 H new ATOM 0 HD2 HIS B 26 -10.707 4.295 -5.245 1.00 32.00 H new ATOM 0 HE1 HIS B 26 -10.825 1.679 -8.570 1.00 41.34 H new ATOM 1978 N VAL B 27 -8.613 1.068 -1.463 1.00 4.12 N ATOM 1979 CA VAL B 27 -8.390 0.327 -0.198 1.00 14.44 C ATOM 1980 C VAL B 27 -7.933 1.282 0.929 1.00 53.50 C ATOM 1981 O VAL B 27 -8.465 1.236 2.044 1.00 64.33 O ATOM 1982 CB VAL B 27 -7.374 -0.876 -0.379 1.00 1.54 C ATOM 1983 CG1 VAL B 27 -7.870 -1.849 -1.470 1.00 53.24 C ATOM 1984 CG2 VAL B 27 -5.926 -0.405 -0.685 1.00 71.54 C ATOM 0 H VAL B 27 -8.003 0.777 -2.226 1.00 4.12 H new ATOM 0 HA VAL B 27 -9.346 -0.109 0.092 1.00 14.44 H new ATOM 0 HB VAL B 27 -7.338 -1.399 0.577 1.00 1.54 H new ATOM 0 HG11 VAL B 27 -7.158 -2.667 -1.578 1.00 53.24 H new ATOM 0 HG12 VAL B 27 -8.843 -2.250 -1.185 1.00 53.24 H new ATOM 0 HG13 VAL B 27 -7.959 -1.318 -2.418 1.00 53.24 H new ATOM 0 HG21 VAL B 27 -5.277 -1.274 -0.798 1.00 71.54 H new ATOM 0 HG22 VAL B 27 -5.920 0.176 -1.607 1.00 71.54 H new ATOM 0 HG23 VAL B 27 -5.564 0.214 0.136 1.00 71.54 H new ATOM 1994 N CYS B 28 -7.008 2.195 0.586 1.00 60.01 N ATOM 1995 CA CYS B 28 -6.469 3.200 1.513 1.00 1.02 C ATOM 1996 C CYS B 28 -7.574 4.165 1.985 1.00 60.33 C ATOM 1997 O CYS B 28 -7.564 4.603 3.136 1.00 64.12 O ATOM 1998 CB CYS B 28 -5.327 3.969 0.823 1.00 52.35 C ATOM 1999 SG CYS B 28 -3.919 2.935 0.369 1.00 31.50 S ATOM 0 H CYS B 28 -6.611 2.255 -0.352 1.00 60.01 H new ATOM 0 HA CYS B 28 -6.078 2.695 2.396 1.00 1.02 H new ATOM 0 HB2 CYS B 28 -5.716 4.450 -0.074 1.00 52.35 H new ATOM 0 HB3 CYS B 28 -4.984 4.763 1.487 1.00 52.35 H new ATOM 0 HG CYS B 28 -2.962 3.684 -0.094 1.00 31.50 H new ATOM 2005 N GLY B 29 -8.527 4.460 1.076 1.00 10.43 N ATOM 2006 CA GLY B 29 -9.659 5.351 1.364 1.00 34.31 C ATOM 2007 C GLY B 29 -10.648 4.746 2.363 1.00 70.11 C ATOM 2008 O GLY B 29 -11.145 5.449 3.251 1.00 62.31 O ATOM 0 H GLY B 29 -8.529 4.086 0.127 1.00 10.43 H new ATOM 0 HA2 GLY B 29 -9.282 6.295 1.758 1.00 34.31 H new ATOM 0 HA3 GLY B 29 -10.181 5.580 0.435 1.00 34.31 H new ATOM 2012 N LEU B 30 -10.915 3.429 2.218 1.00 44.43 N ATOM 2013 CA LEU B 30 -11.872 2.690 3.084 1.00 74.40 C ATOM 2014 C LEU B 30 -11.382 2.627 4.541 1.00 13.15 C ATOM 2015 O LEU B 30 -12.138 2.940 5.464 1.00 31.31 O ATOM 2016 CB LEU B 30 -12.169 1.256 2.517 1.00 20.33 C ATOM 2017 CG LEU B 30 -13.403 1.151 1.557 1.00 54.32 C ATOM 2018 CD1 LEU B 30 -14.711 1.561 2.276 1.00 5.32 C ATOM 2019 CD2 LEU B 30 -13.193 1.969 0.264 1.00 60.44 C ATOM 0 H LEU B 30 -10.478 2.848 1.503 1.00 44.43 H new ATOM 0 HA LEU B 30 -12.810 3.245 3.080 1.00 74.40 H new ATOM 0 HB2 LEU B 30 -11.285 0.905 1.984 1.00 20.33 H new ATOM 0 HB3 LEU B 30 -12.325 0.578 3.356 1.00 20.33 H new ATOM 0 HG LEU B 30 -13.498 0.105 1.266 1.00 54.32 H new ATOM 0 HD11 LEU B 30 -15.548 1.477 1.583 1.00 5.32 H new ATOM 0 HD12 LEU B 30 -14.879 0.904 3.129 1.00 5.32 H new ATOM 0 HD13 LEU B 30 -14.628 2.591 2.623 1.00 5.32 H new ATOM 0 HD21 LEU B 30 -14.070 1.871 -0.375 1.00 60.44 H new ATOM 0 HD22 LEU B 30 -13.045 3.019 0.518 1.00 60.44 H new ATOM 0 HD23 LEU B 30 -12.316 1.596 -0.264 1.00 60.44 H new ATOM 2031 N PHE B 31 -10.113 2.239 4.727 1.00 34.31 N ATOM 2032 CA PHE B 31 -9.510 2.090 6.075 1.00 52.12 C ATOM 2033 C PHE B 31 -9.232 3.453 6.727 1.00 43.42 C ATOM 2034 O PHE B 31 -9.234 3.564 7.960 1.00 61.43 O ATOM 2035 CB PHE B 31 -8.242 1.207 6.013 1.00 70.03 C ATOM 2036 CG PHE B 31 -8.550 -0.212 5.513 1.00 71.03 C ATOM 2037 CD1 PHE B 31 -9.380 -1.063 6.251 1.00 11.21 C ATOM 2038 CD2 PHE B 31 -8.051 -0.682 4.304 1.00 53.55 C ATOM 2039 CE1 PHE B 31 -9.689 -2.327 5.789 1.00 34.41 C ATOM 2040 CE2 PHE B 31 -8.366 -1.941 3.841 1.00 23.33 C ATOM 2041 CZ PHE B 31 -9.180 -2.767 4.585 1.00 22.52 C ATOM 0 H PHE B 31 -9.475 2.020 3.962 1.00 34.31 H new ATOM 0 HA PHE B 31 -10.234 1.583 6.713 1.00 52.12 H new ATOM 0 HB2 PHE B 31 -7.509 1.672 5.354 1.00 70.03 H new ATOM 0 HB3 PHE B 31 -7.790 1.152 7.004 1.00 70.03 H new ATOM 0 HD1 PHE B 31 -9.784 -0.727 7.194 1.00 11.21 H new ATOM 0 HD2 PHE B 31 -7.404 -0.048 3.716 1.00 53.55 H new ATOM 0 HE1 PHE B 31 -10.330 -2.972 6.371 1.00 34.41 H new ATOM 0 HE2 PHE B 31 -7.974 -2.281 2.894 1.00 23.33 H new ATOM 0 HZ PHE B 31 -9.419 -3.757 4.226 1.00 22.52 H new ATOM 2051 N ALA B 32 -9.001 4.478 5.885 1.00 63.41 N ATOM 2052 CA ALA B 32 -8.874 5.880 6.332 1.00 73.44 C ATOM 2053 C ALA B 32 -10.167 6.337 7.033 1.00 11.22 C ATOM 2054 O ALA B 32 -10.156 6.693 8.216 1.00 4.23 O ATOM 2055 CB ALA B 32 -8.574 6.803 5.137 1.00 54.42 C ATOM 0 H ALA B 32 -8.897 4.359 4.877 1.00 63.41 H new ATOM 0 HA ALA B 32 -8.046 5.940 7.039 1.00 73.44 H new ATOM 0 HB1 ALA B 32 -8.484 7.832 5.486 1.00 54.42 H new ATOM 0 HB2 ALA B 32 -7.640 6.496 4.666 1.00 54.42 H new ATOM 0 HB3 ALA B 32 -9.385 6.735 4.412 1.00 54.42 H new ATOM 2061 N ARG B 33 -11.288 6.254 6.290 1.00 60.12 N ATOM 2062 CA ARG B 33 -12.618 6.733 6.745 1.00 21.44 C ATOM 2063 C ARG B 33 -13.252 5.780 7.782 1.00 14.40 C ATOM 2064 O ARG B 33 -14.306 6.093 8.352 1.00 61.00 O ATOM 2065 CB ARG B 33 -13.557 6.903 5.518 1.00 5.13 C ATOM 2066 CG ARG B 33 -13.985 5.584 4.827 1.00 52.13 C ATOM 2067 CD ARG B 33 -14.740 5.829 3.508 1.00 31.24 C ATOM 2068 NE ARG B 33 -15.974 6.626 3.706 1.00 60.24 N ATOM 2069 CZ ARG B 33 -16.466 7.529 2.841 1.00 51.42 C ATOM 2070 NH1 ARG B 33 -15.835 7.784 1.697 1.00 54.01 N ATOM 2071 NH2 ARG B 33 -17.590 8.170 3.120 1.00 53.01 N ATOM 0 H ARG B 33 -11.302 5.852 5.353 1.00 60.12 H new ATOM 0 HA ARG B 33 -12.480 7.696 7.237 1.00 21.44 H new ATOM 0 HB2 ARG B 33 -14.453 7.434 5.838 1.00 5.13 H new ATOM 0 HB3 ARG B 33 -13.057 7.534 4.783 1.00 5.13 H new ATOM 0 HG2 ARG B 33 -13.101 4.978 4.629 1.00 52.13 H new ATOM 0 HG3 ARG B 33 -14.619 5.012 5.504 1.00 52.13 H new ATOM 0 HD2 ARG B 33 -14.085 6.346 2.807 1.00 31.24 H new ATOM 0 HD3 ARG B 33 -14.997 4.871 3.056 1.00 31.24 H new ATOM 0 HE ARG B 33 -16.493 6.476 4.571 1.00 60.24 H new ATOM 0 HH11 ARG B 33 -14.970 7.292 1.471 1.00 54.01 H new ATOM 0 HH12 ARG B 33 -16.216 8.471 1.047 1.00 54.01 H new ATOM 0 HH21 ARG B 33 -18.083 7.979 3.992 1.00 53.01 H new ATOM 0 HH22 ARG B 33 -17.963 8.855 2.463 1.00 53.01 H new ATOM 2085 N ARG B 34 -12.601 4.623 8.010 1.00 60.14 N ATOM 2086 CA ARG B 34 -13.102 3.568 8.890 1.00 73.03 C ATOM 2087 C ARG B 34 -13.056 4.034 10.355 1.00 75.34 C ATOM 2088 O ARG B 34 -14.110 4.253 10.972 1.00 74.33 O ATOM 2089 CB ARG B 34 -12.291 2.259 8.629 1.00 53.24 C ATOM 2090 CG ARG B 34 -12.823 0.969 9.308 1.00 75.02 C ATOM 2091 CD ARG B 34 -12.248 0.750 10.712 1.00 0.22 C ATOM 2092 NE ARG B 34 -10.783 0.577 10.682 1.00 11.44 N ATOM 2093 CZ ARG B 34 -10.038 0.133 11.703 1.00 72.53 C ATOM 2094 NH1 ARG B 34 -10.589 -0.182 12.862 1.00 44.32 N ATOM 2095 NH2 ARG B 34 -8.740 0.021 11.548 1.00 31.32 N ATOM 0 H ARG B 34 -11.703 4.399 7.580 1.00 60.14 H new ATOM 0 HA ARG B 34 -14.148 3.349 8.675 1.00 73.03 H new ATOM 0 HB2 ARG B 34 -12.255 2.088 7.553 1.00 53.24 H new ATOM 0 HB3 ARG B 34 -11.265 2.421 8.960 1.00 53.24 H new ATOM 0 HG2 ARG B 34 -13.910 1.020 9.370 1.00 75.02 H new ATOM 0 HG3 ARG B 34 -12.579 0.109 8.684 1.00 75.02 H new ATOM 0 HD2 ARG B 34 -12.501 1.600 11.345 1.00 0.22 H new ATOM 0 HD3 ARG B 34 -12.709 -0.130 11.161 1.00 0.22 H new ATOM 0 HE ARG B 34 -10.299 0.814 9.816 1.00 11.44 H new ATOM 0 HH11 ARG B 34 -11.597 -0.089 12.990 1.00 44.32 H new ATOM 0 HH12 ARG B 34 -10.007 -0.519 13.629 1.00 44.32 H new ATOM 0 HH21 ARG B 34 -8.309 0.271 10.658 1.00 31.32 H new ATOM 0 HH22 ARG B 34 -8.162 -0.316 12.318 1.00 31.32 H new ATOM 2109 N ALA B 35 -11.826 4.211 10.875 1.00 72.25 N ATOM 2110 CA ALA B 35 -11.571 4.626 12.274 1.00 14.24 C ATOM 2111 C ALA B 35 -10.060 4.714 12.516 1.00 22.13 C ATOM 2112 O ALA B 35 -9.532 5.753 12.926 1.00 71.21 O ATOM 2113 CB ALA B 35 -12.219 3.649 13.283 1.00 60.05 C ATOM 0 H ALA B 35 -10.973 4.070 10.334 1.00 72.25 H new ATOM 0 HA ALA B 35 -12.024 5.606 12.428 1.00 14.24 H new ATOM 0 HB1 ALA B 35 -12.011 3.985 14.299 1.00 60.05 H new ATOM 0 HB2 ALA B 35 -13.297 3.622 13.123 1.00 60.05 H new ATOM 0 HB3 ALA B 35 -11.806 2.651 13.139 1.00 60.05 H new ATOM 2119 N PHE B 36 -9.380 3.593 12.241 1.00 44.44 N ATOM 2120 CA PHE B 36 -7.931 3.434 12.430 1.00 14.34 C ATOM 2121 C PHE B 36 -7.300 3.045 11.084 1.00 62.42 C ATOM 2122 O PHE B 36 -7.935 2.357 10.267 1.00 13.14 O ATOM 2123 CB PHE B 36 -7.674 2.360 13.528 1.00 52.00 C ATOM 2124 CG PHE B 36 -6.206 2.112 13.901 1.00 50.24 C ATOM 2125 CD1 PHE B 36 -5.530 2.974 14.766 1.00 42.24 C ATOM 2126 CD2 PHE B 36 -5.511 1.011 13.404 1.00 15.43 C ATOM 2127 CE1 PHE B 36 -4.212 2.740 15.116 1.00 2.42 C ATOM 2128 CE2 PHE B 36 -4.197 0.778 13.750 1.00 23.01 C ATOM 2129 CZ PHE B 36 -3.545 1.642 14.608 1.00 41.20 C ATOM 0 H PHE B 36 -9.830 2.755 11.874 1.00 44.44 H new ATOM 0 HA PHE B 36 -7.473 4.365 12.764 1.00 14.34 H new ATOM 0 HB2 PHE B 36 -8.211 2.655 14.429 1.00 52.00 H new ATOM 0 HB3 PHE B 36 -8.107 1.417 13.193 1.00 52.00 H new ATOM 0 HD1 PHE B 36 -6.043 3.835 15.168 1.00 42.24 H new ATOM 0 HD2 PHE B 36 -6.012 0.327 12.735 1.00 15.43 H new ATOM 0 HE1 PHE B 36 -3.704 3.417 15.787 1.00 2.42 H new ATOM 0 HE2 PHE B 36 -3.677 -0.080 13.350 1.00 23.01 H new ATOM 0 HZ PHE B 36 -2.516 1.460 14.881 1.00 41.20 H new ATOM 2139 N ASN B 37 -6.051 3.483 10.871 1.00 62.42 N ATOM 2140 CA ASN B 37 -5.319 3.292 9.597 1.00 34.51 C ATOM 2141 C ASN B 37 -4.844 1.837 9.428 1.00 3.30 C ATOM 2142 O ASN B 37 -5.048 0.994 10.309 1.00 21.11 O ATOM 2143 CB ASN B 37 -4.108 4.261 9.566 1.00 41.02 C ATOM 2144 CG ASN B 37 -4.517 5.734 9.651 1.00 3.42 C ATOM 2145 OD1 ASN B 37 -5.496 6.160 9.036 1.00 70.30 O ATOM 2146 ND2 ASN B 37 -3.803 6.506 10.456 1.00 74.21 N ATOM 0 H ASN B 37 -5.512 3.983 11.578 1.00 62.42 H new ATOM 0 HA ASN B 37 -5.994 3.509 8.769 1.00 34.51 H new ATOM 0 HB2 ASN B 37 -3.441 4.027 10.396 1.00 41.02 H new ATOM 0 HB3 ASN B 37 -3.544 4.099 8.648 1.00 41.02 H new ATOM 0 HD21 ASN B 37 -4.058 7.486 10.582 1.00 74.21 H new ATOM 0 HD22 ASN B 37 -2.998 6.121 10.950 1.00 74.21 H new ATOM 2153 N VAL B 38 -4.204 1.551 8.280 1.00 4.35 N ATOM 2154 CA VAL B 38 -3.605 0.237 8.024 1.00 1.02 C ATOM 2155 C VAL B 38 -2.257 0.154 8.762 1.00 3.11 C ATOM 2156 O VAL B 38 -1.489 1.124 8.778 1.00 62.12 O ATOM 2157 CB VAL B 38 -3.387 -0.046 6.488 1.00 33.12 C ATOM 2158 CG1 VAL B 38 -2.924 -1.503 6.257 1.00 12.43 C ATOM 2159 CG2 VAL B 38 -4.664 0.258 5.679 1.00 63.15 C ATOM 0 H VAL B 38 -4.090 2.217 7.516 1.00 4.35 H new ATOM 0 HA VAL B 38 -4.298 -0.521 8.390 1.00 1.02 H new ATOM 0 HB VAL B 38 -2.601 0.621 6.134 1.00 33.12 H new ATOM 0 HG11 VAL B 38 -2.780 -1.674 5.190 1.00 12.43 H new ATOM 0 HG12 VAL B 38 -1.984 -1.674 6.782 1.00 12.43 H new ATOM 0 HG13 VAL B 38 -3.681 -2.190 6.636 1.00 12.43 H new ATOM 0 HG21 VAL B 38 -4.483 0.054 4.624 1.00 63.15 H new ATOM 0 HG22 VAL B 38 -5.479 -0.371 6.036 1.00 63.15 H new ATOM 0 HG23 VAL B 38 -4.933 1.307 5.805 1.00 63.15 H new ATOM 2169 N GLU B 39 -2.008 -0.993 9.393 1.00 74.41 N ATOM 2170 CA GLU B 39 -0.745 -1.298 10.066 1.00 3.21 C ATOM 2171 C GLU B 39 0.346 -1.590 9.009 1.00 40.12 C ATOM 2172 O GLU B 39 1.393 -0.928 8.969 1.00 75.11 O ATOM 2173 CB GLU B 39 -0.970 -2.522 10.989 1.00 44.23 C ATOM 2174 CG GLU B 39 0.277 -3.006 11.750 1.00 41.13 C ATOM 2175 CD GLU B 39 0.117 -4.433 12.282 1.00 65.23 C ATOM 2176 OE1 GLU B 39 -0.477 -4.619 13.361 1.00 24.33 O ATOM 2177 OE2 GLU B 39 0.551 -5.383 11.594 1.00 64.12 O ATOM 0 H GLU B 39 -2.690 -1.749 9.452 1.00 74.41 H new ATOM 0 HA GLU B 39 -0.412 -0.452 10.667 1.00 3.21 H new ATOM 0 HB2 GLU B 39 -1.745 -2.273 11.714 1.00 44.23 H new ATOM 0 HB3 GLU B 39 -1.351 -3.346 10.386 1.00 44.23 H new ATOM 0 HG2 GLU B 39 1.143 -2.962 11.089 1.00 41.13 H new ATOM 0 HG3 GLU B 39 0.477 -2.331 12.582 1.00 41.13 H new ATOM 2184 N GLY B 40 0.049 -2.566 8.131 1.00 64.42 N ATOM 2185 CA GLY B 40 0.993 -3.024 7.110 1.00 72.52 C ATOM 2186 C GLY B 40 0.303 -3.374 5.797 1.00 13.20 C ATOM 2187 O GLY B 40 -0.784 -3.942 5.801 1.00 31.33 O ATOM 0 H GLY B 40 -0.847 -3.053 8.114 1.00 64.42 H new ATOM 0 HA2 GLY B 40 1.736 -2.247 6.931 1.00 72.52 H new ATOM 0 HA3 GLY B 40 1.529 -3.898 7.480 1.00 72.52 H new ATOM 2191 N ILE B 41 0.936 -3.029 4.666 1.00 62.01 N ATOM 2192 CA ILE B 41 0.388 -3.269 3.309 1.00 71.24 C ATOM 2193 C ILE B 41 1.399 -4.099 2.513 1.00 31.30 C ATOM 2194 O ILE B 41 2.607 -3.821 2.559 1.00 11.20 O ATOM 2195 CB ILE B 41 0.099 -1.917 2.526 1.00 15.53 C ATOM 2196 CG1 ILE B 41 -0.879 -0.997 3.326 1.00 15.22 C ATOM 2197 CG2 ILE B 41 -0.439 -2.178 1.093 1.00 75.52 C ATOM 2198 CD1 ILE B 41 -1.135 0.367 2.703 1.00 31.34 C ATOM 0 H ILE B 41 1.848 -2.573 4.660 1.00 62.01 H new ATOM 0 HA ILE B 41 -0.560 -3.795 3.418 1.00 71.24 H new ATOM 0 HB ILE B 41 1.052 -1.398 2.427 1.00 15.53 H new ATOM 0 HG12 ILE B 41 -1.832 -1.514 3.435 1.00 15.22 H new ATOM 0 HG13 ILE B 41 -0.478 -0.852 4.329 1.00 15.22 H new ATOM 0 HG21 ILE B 41 -0.623 -1.226 0.594 1.00 75.52 H new ATOM 0 HG22 ILE B 41 0.297 -2.748 0.526 1.00 75.52 H new ATOM 0 HG23 ILE B 41 -1.369 -2.743 1.151 1.00 75.52 H new ATOM 0 HD11 ILE B 41 -1.825 0.930 3.331 1.00 31.34 H new ATOM 0 HD12 ILE B 41 -0.194 0.911 2.619 1.00 31.34 H new ATOM 0 HD13 ILE B 41 -1.569 0.238 1.712 1.00 31.34 H new ATOM 2210 N LEU B 42 0.904 -5.101 1.782 1.00 34.54 N ATOM 2211 CA LEU B 42 1.729 -5.933 0.910 1.00 61.40 C ATOM 2212 C LEU B 42 1.060 -6.062 -0.458 1.00 74.34 C ATOM 2213 O LEU B 42 0.252 -6.958 -0.681 1.00 61.12 O ATOM 2214 CB LEU B 42 1.965 -7.321 1.548 1.00 51.54 C ATOM 2215 CG LEU B 42 2.890 -8.279 0.739 1.00 1.43 C ATOM 2216 CD1 LEU B 42 4.299 -7.681 0.550 1.00 12.23 C ATOM 2217 CD2 LEU B 42 2.959 -9.663 1.396 1.00 65.13 C ATOM 0 H LEU B 42 -0.083 -5.357 1.780 1.00 34.54 H new ATOM 0 HA LEU B 42 2.702 -5.460 0.779 1.00 61.40 H new ATOM 0 HB2 LEU B 42 2.396 -7.178 2.539 1.00 51.54 H new ATOM 0 HB3 LEU B 42 0.999 -7.807 1.687 1.00 51.54 H new ATOM 0 HG LEU B 42 2.452 -8.399 -0.252 1.00 1.43 H new ATOM 0 HD11 LEU B 42 4.916 -8.377 -0.018 1.00 12.23 H new ATOM 0 HD12 LEU B 42 4.224 -6.737 0.010 1.00 12.23 H new ATOM 0 HD13 LEU B 42 4.754 -7.506 1.525 1.00 12.23 H new ATOM 0 HD21 LEU B 42 3.611 -10.311 0.811 1.00 65.13 H new ATOM 0 HD22 LEU B 42 3.355 -9.567 2.407 1.00 65.13 H new ATOM 0 HD23 LEU B 42 1.960 -10.096 1.438 1.00 65.13 H new ATOM 2229 N CYS B 43 1.379 -5.131 -1.355 1.00 23.42 N ATOM 2230 CA CYS B 43 0.915 -5.160 -2.743 1.00 51.40 C ATOM 2231 C CYS B 43 1.936 -5.961 -3.563 1.00 11.34 C ATOM 2232 O CYS B 43 2.984 -5.437 -3.944 1.00 1.04 O ATOM 2233 CB CYS B 43 0.743 -3.720 -3.265 1.00 3.43 C ATOM 2234 SG CYS B 43 0.108 -3.558 -4.944 1.00 72.13 S ATOM 0 H CYS B 43 1.971 -4.329 -1.139 1.00 23.42 H new ATOM 0 HA CYS B 43 -0.058 -5.643 -2.827 1.00 51.40 H new ATOM 0 HB2 CYS B 43 0.071 -3.188 -2.591 1.00 3.43 H new ATOM 0 HB3 CYS B 43 1.709 -3.218 -3.213 1.00 3.43 H new ATOM 0 HG CYS B 43 0.861 -4.235 -5.760 1.00 72.13 H new ATOM 2240 N LEU B 44 1.654 -7.263 -3.730 1.00 73.12 N ATOM 2241 CA LEU B 44 2.535 -8.213 -4.427 1.00 34.30 C ATOM 2242 C LEU B 44 2.153 -8.240 -5.924 1.00 53.01 C ATOM 2243 O LEU B 44 1.075 -8.756 -6.260 1.00 32.31 O ATOM 2244 CB LEU B 44 2.372 -9.627 -3.803 1.00 44.45 C ATOM 2245 CG LEU B 44 3.493 -10.676 -4.101 1.00 42.53 C ATOM 2246 CD1 LEU B 44 4.750 -10.420 -3.233 1.00 24.35 C ATOM 2247 CD2 LEU B 44 2.974 -12.123 -3.919 1.00 75.54 C ATOM 0 H LEU B 44 0.797 -7.691 -3.380 1.00 73.12 H new ATOM 0 HA LEU B 44 3.576 -7.905 -4.325 1.00 34.30 H new ATOM 0 HB2 LEU B 44 2.297 -9.512 -2.722 1.00 44.45 H new ATOM 0 HB3 LEU B 44 1.424 -10.040 -4.147 1.00 44.45 H new ATOM 0 HG LEU B 44 3.782 -10.557 -5.145 1.00 42.53 H new ATOM 0 HD11 LEU B 44 5.510 -11.166 -3.464 1.00 24.35 H new ATOM 0 HD12 LEU B 44 5.142 -9.425 -3.445 1.00 24.35 H new ATOM 0 HD13 LEU B 44 4.484 -10.488 -2.178 1.00 24.35 H new ATOM 0 HD21 LEU B 44 3.778 -12.827 -4.134 1.00 75.54 H new ATOM 0 HD22 LEU B 44 2.635 -12.261 -2.892 1.00 75.54 H new ATOM 0 HD23 LEU B 44 2.144 -12.300 -4.603 1.00 75.54 H new ATOM 2259 N PRO B 45 2.995 -7.663 -6.841 1.00 4.01 N ATOM 2260 CA PRO B 45 2.661 -7.572 -8.281 1.00 71.31 C ATOM 2261 C PRO B 45 2.550 -8.965 -8.937 1.00 70.43 C ATOM 2262 O PRO B 45 3.524 -9.735 -8.964 1.00 75.53 O ATOM 2263 CB PRO B 45 3.830 -6.744 -8.874 1.00 20.12 C ATOM 2264 CG PRO B 45 4.958 -6.912 -7.908 1.00 13.34 C ATOM 2265 CD PRO B 45 4.321 -7.053 -6.547 1.00 11.31 C ATOM 0 HA PRO B 45 1.689 -7.112 -8.458 1.00 71.31 H new ATOM 0 HB2 PRO B 45 4.104 -7.104 -9.866 1.00 20.12 H new ATOM 0 HB3 PRO B 45 3.555 -5.695 -8.980 1.00 20.12 H new ATOM 0 HG2 PRO B 45 5.554 -7.791 -8.153 1.00 13.34 H new ATOM 0 HG3 PRO B 45 5.629 -6.053 -7.938 1.00 13.34 H new ATOM 0 HD2 PRO B 45 4.917 -7.686 -5.890 1.00 11.31 H new ATOM 0 HD3 PRO B 45 4.217 -6.088 -6.051 1.00 11.31 H new ATOM 2273 N ILE B 46 1.342 -9.294 -9.417 1.00 62.31 N ATOM 2274 CA ILE B 46 1.086 -10.543 -10.136 1.00 34.21 C ATOM 2275 C ILE B 46 1.693 -10.425 -11.548 1.00 33.11 C ATOM 2276 O ILE B 46 1.107 -9.801 -12.429 1.00 14.01 O ATOM 2277 CB ILE B 46 -0.459 -10.861 -10.198 1.00 53.22 C ATOM 2278 CG1 ILE B 46 -1.085 -10.915 -8.758 1.00 23.22 C ATOM 2279 CG2 ILE B 46 -0.741 -12.169 -10.974 1.00 43.03 C ATOM 2280 CD1 ILE B 46 -0.490 -11.969 -7.824 1.00 21.25 C ATOM 0 H ILE B 46 0.519 -8.701 -9.316 1.00 62.31 H new ATOM 0 HA ILE B 46 1.553 -11.373 -9.607 1.00 34.21 H new ATOM 0 HB ILE B 46 -0.937 -10.047 -10.743 1.00 53.22 H new ATOM 0 HG12 ILE B 46 -0.970 -9.936 -8.293 1.00 23.22 H new ATOM 0 HG13 ILE B 46 -2.155 -11.100 -8.852 1.00 23.22 H new ATOM 0 HG21 ILE B 46 -1.815 -12.355 -10.996 1.00 43.03 H new ATOM 0 HG22 ILE B 46 -0.368 -12.074 -11.994 1.00 43.03 H new ATOM 0 HG23 ILE B 46 -0.239 -13.001 -10.480 1.00 43.03 H new ATOM 0 HD11 ILE B 46 -0.991 -11.923 -6.857 1.00 21.25 H new ATOM 0 HD12 ILE B 46 -0.629 -12.959 -8.258 1.00 21.25 H new ATOM 0 HD13 ILE B 46 0.575 -11.777 -7.690 1.00 21.25 H new ATOM 2292 N GLN B 47 2.887 -11.020 -11.717 1.00 21.02 N ATOM 2293 CA GLN B 47 3.715 -10.896 -12.944 1.00 1.22 C ATOM 2294 C GLN B 47 3.033 -11.461 -14.210 1.00 12.04 C ATOM 2295 O GLN B 47 3.444 -11.143 -15.331 1.00 31.44 O ATOM 2296 CB GLN B 47 5.071 -11.621 -12.735 1.00 12.23 C ATOM 2297 CG GLN B 47 4.973 -13.162 -12.595 1.00 4.12 C ATOM 2298 CD GLN B 47 6.334 -13.870 -12.483 1.00 4.51 C ATOM 2299 OE1 GLN B 47 7.342 -13.403 -13.012 1.00 73.11 O ATOM 2300 NE2 GLN B 47 6.366 -15.014 -11.810 1.00 22.44 N ATOM 0 H GLN B 47 3.315 -11.608 -11.002 1.00 21.02 H new ATOM 0 HA GLN B 47 3.861 -9.828 -13.109 1.00 1.22 H new ATOM 0 HB2 GLN B 47 5.724 -11.388 -13.576 1.00 12.23 H new ATOM 0 HB3 GLN B 47 5.547 -11.219 -11.841 1.00 12.23 H new ATOM 0 HG2 GLN B 47 4.379 -13.399 -11.713 1.00 4.12 H new ATOM 0 HG3 GLN B 47 4.438 -13.561 -13.457 1.00 4.12 H new ATOM 0 HE21 GLN B 47 5.515 -15.378 -11.382 1.00 22.44 H new ATOM 0 HE22 GLN B 47 7.242 -15.529 -11.721 1.00 22.44 H new ATOM 2309 N ASP B 48 2.009 -12.313 -14.015 1.00 31.31 N ATOM 2310 CA ASP B 48 1.348 -13.043 -15.113 1.00 11.51 C ATOM 2311 C ASP B 48 0.539 -12.077 -16.012 1.00 21.11 C ATOM 2312 O ASP B 48 0.456 -12.264 -17.232 1.00 3.42 O ATOM 2313 CB ASP B 48 0.459 -14.218 -14.536 1.00 14.22 C ATOM 2314 CG ASP B 48 -1.072 -14.029 -14.687 1.00 23.10 C ATOM 2315 OD1 ASP B 48 -1.685 -13.331 -13.857 1.00 31.21 O ATOM 2316 OD2 ASP B 48 -1.657 -14.548 -15.660 1.00 4.23 O ATOM 0 H ASP B 48 1.618 -12.514 -13.095 1.00 31.31 H new ATOM 0 HA ASP B 48 2.111 -13.495 -15.747 1.00 11.51 H new ATOM 0 HB2 ASP B 48 0.744 -15.145 -15.034 1.00 14.22 H new ATOM 0 HB3 ASP B 48 0.690 -14.340 -13.478 1.00 14.22 H new ATOM 2321 N SER B 49 -0.043 -11.050 -15.383 1.00 62.22 N ATOM 2322 CA SER B 49 -0.946 -10.088 -16.036 1.00 13.23 C ATOM 2323 C SER B 49 -0.800 -8.703 -15.383 1.00 51.50 C ATOM 2324 O SER B 49 0.078 -8.484 -14.547 1.00 74.40 O ATOM 2325 CB SER B 49 -2.411 -10.595 -15.925 1.00 0.34 C ATOM 2326 OG SER B 49 -2.621 -11.793 -16.671 1.00 43.20 O ATOM 0 H SER B 49 0.100 -10.859 -14.391 1.00 62.22 H new ATOM 0 HA SER B 49 -0.683 -9.999 -17.090 1.00 13.23 H new ATOM 0 HB2 SER B 49 -2.654 -10.773 -14.878 1.00 0.34 H new ATOM 0 HB3 SER B 49 -3.090 -9.821 -16.283 1.00 0.34 H new ATOM 0 HG SER B 49 -3.553 -12.080 -16.574 1.00 43.20 H new ATOM 2332 N ASP B 50 -1.670 -7.772 -15.789 1.00 63.35 N ATOM 2333 CA ASP B 50 -1.784 -6.441 -15.166 1.00 14.25 C ATOM 2334 C ASP B 50 -2.675 -6.536 -13.911 1.00 0.33 C ATOM 2335 O ASP B 50 -3.829 -6.097 -13.891 1.00 15.03 O ATOM 2336 CB ASP B 50 -2.320 -5.405 -16.210 1.00 32.03 C ATOM 2337 CG ASP B 50 -3.672 -5.790 -16.886 1.00 73.54 C ATOM 2338 OD1 ASP B 50 -3.800 -6.911 -17.434 1.00 24.41 O ATOM 2339 OD2 ASP B 50 -4.610 -4.966 -16.885 1.00 41.33 O ATOM 0 H ASP B 50 -2.319 -7.917 -16.562 1.00 63.35 H new ATOM 0 HA ASP B 50 -0.804 -6.089 -14.845 1.00 14.25 H new ATOM 0 HB2 ASP B 50 -2.440 -4.442 -15.715 1.00 32.03 H new ATOM 0 HB3 ASP B 50 -1.567 -5.272 -16.987 1.00 32.03 H new ATOM 2344 N LYS B 51 -2.094 -7.130 -12.849 1.00 15.24 N ATOM 2345 CA LYS B 51 -2.759 -7.349 -11.547 1.00 72.01 C ATOM 2346 C LYS B 51 -1.737 -7.232 -10.404 1.00 4.50 C ATOM 2347 O LYS B 51 -0.519 -7.264 -10.629 1.00 75.23 O ATOM 2348 CB LYS B 51 -3.446 -8.755 -11.455 1.00 3.01 C ATOM 2349 CG LYS B 51 -4.559 -9.054 -12.490 1.00 33.41 C ATOM 2350 CD LYS B 51 -5.460 -10.249 -12.074 1.00 51.34 C ATOM 2351 CE LYS B 51 -4.682 -11.556 -11.860 1.00 22.44 C ATOM 2352 NZ LYS B 51 -4.035 -12.035 -13.103 1.00 5.54 N ATOM 0 H LYS B 51 -1.135 -7.477 -12.871 1.00 15.24 H new ATOM 0 HA LYS B 51 -3.529 -6.583 -11.457 1.00 72.01 H new ATOM 0 HB2 LYS B 51 -2.674 -9.518 -11.555 1.00 3.01 H new ATOM 0 HB3 LYS B 51 -3.872 -8.861 -10.457 1.00 3.01 H new ATOM 0 HG2 LYS B 51 -5.177 -8.166 -12.619 1.00 33.41 H new ATOM 0 HG3 LYS B 51 -4.103 -9.268 -13.457 1.00 33.41 H new ATOM 0 HD2 LYS B 51 -5.987 -9.994 -11.154 1.00 51.34 H new ATOM 0 HD3 LYS B 51 -6.217 -10.408 -12.842 1.00 51.34 H new ATOM 0 HE2 LYS B 51 -3.922 -11.403 -11.093 1.00 22.44 H new ATOM 0 HE3 LYS B 51 -5.361 -12.323 -11.487 1.00 22.44 H new ATOM 0 HZ1 LYS B 51 -4.387 -12.986 -13.333 1.00 5.54 H new ATOM 0 HZ2 LYS B 51 -4.258 -11.385 -13.883 1.00 5.54 H new ATOM 0 HZ3 LYS B 51 -3.005 -12.071 -12.966 1.00 5.54 H new ATOM 2366 N SER B 52 -2.266 -7.130 -9.183 1.00 41.50 N ATOM 2367 CA SER B 52 -1.496 -7.150 -7.946 1.00 10.33 C ATOM 2368 C SER B 52 -2.415 -7.613 -6.803 1.00 74.54 C ATOM 2369 O SER B 52 -3.577 -7.195 -6.717 1.00 54.03 O ATOM 2370 CB SER B 52 -0.888 -5.762 -7.657 1.00 73.33 C ATOM 2371 OG SER B 52 0.028 -5.830 -6.576 1.00 42.40 O ATOM 0 H SER B 52 -3.269 -7.029 -9.027 1.00 41.50 H new ATOM 0 HA SER B 52 -0.663 -7.847 -8.039 1.00 10.33 H new ATOM 0 HB2 SER B 52 -0.381 -5.389 -8.547 1.00 73.33 H new ATOM 0 HB3 SER B 52 -1.682 -5.053 -7.423 1.00 73.33 H new ATOM 0 HG SER B 52 -0.314 -5.304 -5.824 1.00 42.40 H new ATOM 2377 N HIS B 53 -1.906 -8.504 -5.948 1.00 43.24 N ATOM 2378 CA HIS B 53 -2.659 -9.055 -4.810 1.00 32.24 C ATOM 2379 C HIS B 53 -2.176 -8.363 -3.528 1.00 21.24 C ATOM 2380 O HIS B 53 -1.020 -8.525 -3.141 1.00 52.30 O ATOM 2381 CB HIS B 53 -2.435 -10.590 -4.753 1.00 12.13 C ATOM 2382 CG HIS B 53 -3.337 -11.356 -3.811 1.00 43.34 C ATOM 2383 ND1 HIS B 53 -3.254 -12.718 -3.653 1.00 23.20 N ATOM 2384 CD2 HIS B 53 -4.389 -10.964 -3.043 1.00 55.15 C ATOM 2385 CE1 HIS B 53 -4.210 -13.126 -2.845 1.00 32.01 C ATOM 2386 NE2 HIS B 53 -4.911 -12.085 -2.461 1.00 71.02 N ATOM 0 H HIS B 53 -0.956 -8.867 -6.023 1.00 43.24 H new ATOM 0 HA HIS B 53 -3.728 -8.875 -4.919 1.00 32.24 H new ATOM 0 HB2 HIS B 53 -2.564 -10.994 -5.757 1.00 12.13 H new ATOM 0 HB3 HIS B 53 -1.400 -10.776 -4.465 1.00 12.13 H new ATOM 0 HD1 HIS B 53 -2.559 -13.320 -4.094 1.00 23.20 H new ATOM 0 HD2 HIS B 53 -4.746 -9.953 -2.916 1.00 55.15 H new ATOM 0 HE1 HIS B 53 -4.388 -14.149 -2.547 1.00 32.01 H new ATOM 2395 N ILE B 54 -3.052 -7.566 -2.893 1.00 34.22 N ATOM 2396 CA ILE B 54 -2.690 -6.757 -1.716 1.00 40.34 C ATOM 2397 C ILE B 54 -3.230 -7.410 -0.437 1.00 64.21 C ATOM 2398 O ILE B 54 -4.409 -7.770 -0.382 1.00 32.21 O ATOM 2399 CB ILE B 54 -3.224 -5.263 -1.790 1.00 15.45 C ATOM 2400 CG1 ILE B 54 -2.859 -4.544 -3.139 1.00 45.31 C ATOM 2401 CG2 ILE B 54 -2.679 -4.442 -0.595 1.00 3.45 C ATOM 2402 CD1 ILE B 54 -3.687 -4.948 -4.342 1.00 31.14 C ATOM 0 H ILE B 54 -4.026 -7.464 -3.179 1.00 34.22 H new ATOM 0 HA ILE B 54 -1.601 -6.717 -1.702 1.00 40.34 H new ATOM 0 HB ILE B 54 -4.312 -5.318 -1.742 1.00 15.45 H new ATOM 0 HG12 ILE B 54 -2.961 -3.468 -2.995 1.00 45.31 H new ATOM 0 HG13 ILE B 54 -1.810 -4.738 -3.361 1.00 45.31 H new ATOM 0 HG21 ILE B 54 -3.052 -3.419 -0.656 1.00 3.45 H new ATOM 0 HG22 ILE B 54 -3.012 -4.894 0.339 1.00 3.45 H new ATOM 0 HG23 ILE B 54 -1.589 -4.434 -0.626 1.00 3.45 H new ATOM 0 HD11 ILE B 54 -3.352 -4.392 -5.218 1.00 31.14 H new ATOM 0 HD12 ILE B 54 -3.569 -6.016 -4.523 1.00 31.14 H new ATOM 0 HD13 ILE B 54 -4.737 -4.727 -4.152 1.00 31.14 H new ATOM 2414 N TRP B 55 -2.362 -7.573 0.581 1.00 64.41 N ATOM 2415 CA TRP B 55 -2.766 -7.995 1.935 1.00 54.42 C ATOM 2416 C TRP B 55 -2.735 -6.779 2.869 1.00 24.42 C ATOM 2417 O TRP B 55 -1.684 -6.154 3.053 1.00 53.42 O ATOM 2418 CB TRP B 55 -1.836 -9.108 2.465 1.00 74.02 C ATOM 2419 CG TRP B 55 -1.949 -10.405 1.692 1.00 44.23 C ATOM 2420 CD1 TRP B 55 -2.756 -11.467 1.975 1.00 10.44 C ATOM 2421 CD2 TRP B 55 -1.230 -10.772 0.511 1.00 61.35 C ATOM 2422 NE1 TRP B 55 -2.600 -12.451 1.033 1.00 31.44 N ATOM 2423 CE2 TRP B 55 -1.660 -12.056 0.132 1.00 3.24 C ATOM 2424 CE3 TRP B 55 -0.266 -10.142 -0.257 1.00 40.45 C ATOM 2425 CZ2 TRP B 55 -1.144 -12.717 -0.978 1.00 4.54 C ATOM 2426 CZ3 TRP B 55 0.239 -10.796 -1.351 1.00 75.12 C ATOM 2427 CH2 TRP B 55 -0.199 -12.071 -1.710 1.00 5.12 C ATOM 0 H TRP B 55 -1.359 -7.415 0.486 1.00 64.41 H new ATOM 0 HA TRP B 55 -3.778 -8.399 1.897 1.00 54.42 H new ATOM 0 HB2 TRP B 55 -0.804 -8.759 2.425 1.00 74.02 H new ATOM 0 HB3 TRP B 55 -2.068 -9.297 3.513 1.00 74.02 H new ATOM 0 HD1 TRP B 55 -3.424 -11.525 2.822 1.00 10.44 H new ATOM 0 HE1 TRP B 55 -3.107 -13.336 1.011 1.00 31.44 H new ATOM 0 HE3 TRP B 55 0.082 -9.153 0.001 1.00 40.45 H new ATOM 0 HZ2 TRP B 55 -1.482 -13.707 -1.248 1.00 4.54 H new ATOM 0 HZ3 TRP B 55 0.996 -10.312 -1.950 1.00 75.12 H new ATOM 0 HH2 TRP B 55 0.219 -12.551 -2.582 1.00 5.12 H new ATOM 2438 N LEU B 56 -3.910 -6.434 3.415 1.00 24.44 N ATOM 2439 CA LEU B 56 -4.094 -5.314 4.340 1.00 50.25 C ATOM 2440 C LEU B 56 -4.129 -5.852 5.778 1.00 32.01 C ATOM 2441 O LEU B 56 -5.066 -6.555 6.162 1.00 2.12 O ATOM 2442 CB LEU B 56 -5.404 -4.516 4.034 1.00 45.22 C ATOM 2443 CG LEU B 56 -5.474 -3.751 2.667 1.00 4.30 C ATOM 2444 CD1 LEU B 56 -4.241 -2.833 2.455 1.00 72.24 C ATOM 2445 CD2 LEU B 56 -5.700 -4.710 1.470 1.00 73.02 C ATOM 0 H LEU B 56 -4.775 -6.938 3.220 1.00 24.44 H new ATOM 0 HA LEU B 56 -3.258 -4.626 4.216 1.00 50.25 H new ATOM 0 HB2 LEU B 56 -6.241 -5.213 4.075 1.00 45.22 H new ATOM 0 HB3 LEU B 56 -5.553 -3.792 4.835 1.00 45.22 H new ATOM 0 HG LEU B 56 -6.348 -3.102 2.714 1.00 4.30 H new ATOM 0 HD11 LEU B 56 -4.329 -2.321 1.496 1.00 72.24 H new ATOM 0 HD12 LEU B 56 -4.194 -2.096 3.257 1.00 72.24 H new ATOM 0 HD13 LEU B 56 -3.333 -3.436 2.463 1.00 72.24 H new ATOM 0 HD21 LEU B 56 -5.741 -4.134 0.545 1.00 73.02 H new ATOM 0 HD22 LEU B 56 -4.879 -5.424 1.416 1.00 73.02 H new ATOM 0 HD23 LEU B 56 -6.639 -5.246 1.606 1.00 73.02 H new ATOM 2457 N LEU B 57 -3.083 -5.528 6.540 1.00 72.04 N ATOM 2458 CA LEU B 57 -2.979 -5.822 7.975 1.00 24.21 C ATOM 2459 C LEU B 57 -3.625 -4.657 8.714 1.00 2.52 C ATOM 2460 O LEU B 57 -3.054 -3.574 8.774 1.00 11.11 O ATOM 2461 CB LEU B 57 -1.483 -5.963 8.405 1.00 33.14 C ATOM 2462 CG LEU B 57 -0.760 -7.315 8.096 1.00 1.52 C ATOM 2463 CD1 LEU B 57 -0.949 -7.784 6.629 1.00 3.51 C ATOM 2464 CD2 LEU B 57 0.740 -7.200 8.466 1.00 11.24 C ATOM 0 H LEU B 57 -2.265 -5.043 6.171 1.00 72.04 H new ATOM 0 HA LEU B 57 -3.476 -6.763 8.208 1.00 24.21 H new ATOM 0 HB2 LEU B 57 -0.919 -5.164 7.923 1.00 33.14 H new ATOM 0 HB3 LEU B 57 -1.426 -5.790 9.480 1.00 33.14 H new ATOM 0 HG LEU B 57 -1.225 -8.085 8.712 1.00 1.52 H new ATOM 0 HD11 LEU B 57 -0.424 -8.727 6.478 1.00 3.51 H new ATOM 0 HD12 LEU B 57 -2.011 -7.923 6.425 1.00 3.51 H new ATOM 0 HD13 LEU B 57 -0.545 -7.031 5.952 1.00 3.51 H new ATOM 0 HD21 LEU B 57 1.241 -8.143 8.250 1.00 11.24 H new ATOM 0 HD22 LEU B 57 1.199 -6.403 7.881 1.00 11.24 H new ATOM 0 HD23 LEU B 57 0.836 -6.973 9.528 1.00 11.24 H new ATOM 2476 N VAL B 58 -4.835 -4.868 9.212 1.00 12.41 N ATOM 2477 CA VAL B 58 -5.596 -3.832 9.913 1.00 4.13 C ATOM 2478 C VAL B 58 -6.340 -4.489 11.068 1.00 22.11 C ATOM 2479 O VAL B 58 -6.720 -5.637 10.962 1.00 61.44 O ATOM 2480 CB VAL B 58 -6.596 -3.105 8.930 1.00 15.33 C ATOM 2481 CG1 VAL B 58 -7.751 -4.030 8.472 1.00 60.10 C ATOM 2482 CG2 VAL B 58 -7.128 -1.787 9.537 1.00 41.33 C ATOM 0 H VAL B 58 -5.321 -5.762 9.144 1.00 12.41 H new ATOM 0 HA VAL B 58 -4.919 -3.069 10.298 1.00 4.13 H new ATOM 0 HB VAL B 58 -6.028 -2.850 8.035 1.00 15.33 H new ATOM 0 HG11 VAL B 58 -8.410 -3.483 7.798 1.00 60.10 H new ATOM 0 HG12 VAL B 58 -7.340 -4.896 7.953 1.00 60.10 H new ATOM 0 HG13 VAL B 58 -8.317 -4.363 9.342 1.00 60.10 H new ATOM 0 HG21 VAL B 58 -7.813 -1.313 8.834 1.00 41.33 H new ATOM 0 HG22 VAL B 58 -7.654 -2.001 10.468 1.00 41.33 H new ATOM 0 HG23 VAL B 58 -6.293 -1.116 9.738 1.00 41.33 H new ATOM 2492 N ASN B 59 -6.525 -3.782 12.177 1.00 40.53 N ATOM 2493 CA ASN B 59 -7.240 -4.331 13.337 1.00 21.21 C ATOM 2494 C ASN B 59 -8.759 -4.375 13.058 1.00 32.25 C ATOM 2495 O ASN B 59 -9.310 -3.455 12.431 1.00 25.11 O ATOM 2496 CB ASN B 59 -6.907 -3.525 14.616 1.00 60.20 C ATOM 2497 CG ASN B 59 -7.342 -2.056 14.587 1.00 32.23 C ATOM 2498 OD1 ASN B 59 -7.451 -1.443 13.535 1.00 72.14 O ATOM 2499 ND2 ASN B 59 -7.552 -1.476 15.752 1.00 53.22 N ATOM 0 H ASN B 59 -6.192 -2.826 12.303 1.00 40.53 H new ATOM 0 HA ASN B 59 -6.907 -5.355 13.507 1.00 21.21 H new ATOM 0 HB2 ASN B 59 -7.381 -4.012 15.468 1.00 60.20 H new ATOM 0 HB3 ASN B 59 -5.831 -3.566 14.784 1.00 60.20 H new ATOM 0 HD21 ASN B 59 -7.813 -0.491 15.792 1.00 53.22 H new ATOM 0 HD22 ASN B 59 -7.454 -2.013 16.614 1.00 53.22 H new ATOM 2506 N ASP B 60 -9.409 -5.472 13.498 1.00 71.41 N ATOM 2507 CA ASP B 60 -10.857 -5.702 13.295 1.00 52.34 C ATOM 2508 C ASP B 60 -11.706 -4.625 14.008 1.00 11.12 C ATOM 2509 O ASP B 60 -11.339 -4.136 15.086 1.00 2.23 O ATOM 2510 CB ASP B 60 -11.246 -7.129 13.777 1.00 63.45 C ATOM 2511 CG ASP B 60 -12.769 -7.381 13.791 1.00 34.05 C ATOM 2512 OD1 ASP B 60 -13.406 -7.262 12.718 1.00 22.12 O ATOM 2513 OD2 ASP B 60 -13.340 -7.664 14.871 1.00 61.21 O ATOM 0 H ASP B 60 -8.945 -6.226 14.005 1.00 71.41 H new ATOM 0 HA ASP B 60 -11.067 -5.625 12.228 1.00 52.34 H new ATOM 0 HB2 ASP B 60 -10.770 -7.865 13.129 1.00 63.45 H new ATOM 0 HB3 ASP B 60 -10.851 -7.285 14.781 1.00 63.45 H new ATOM 2518 N ASP B 61 -12.837 -4.279 13.375 1.00 54.55 N ATOM 2519 CA ASP B 61 -13.730 -3.203 13.803 1.00 50.45 C ATOM 2520 C ASP B 61 -15.192 -3.607 13.531 1.00 14.31 C ATOM 2521 O ASP B 61 -15.453 -4.562 12.789 1.00 21.20 O ATOM 2522 CB ASP B 61 -13.352 -1.924 13.022 1.00 11.41 C ATOM 2523 CG ASP B 61 -14.123 -0.681 13.454 1.00 72.33 C ATOM 2524 OD1 ASP B 61 -13.995 -0.269 14.609 1.00 42.21 O ATOM 2525 OD2 ASP B 61 -14.880 -0.125 12.638 1.00 13.53 O ATOM 0 H ASP B 61 -13.160 -4.754 12.532 1.00 54.55 H new ATOM 0 HA ASP B 61 -13.627 -3.016 14.872 1.00 50.45 H new ATOM 0 HB2 ASP B 61 -12.285 -1.738 13.145 1.00 11.41 H new ATOM 0 HB3 ASP B 61 -13.525 -2.095 11.960 1.00 11.41 H new ATOM 2530 N GLN B 62 -16.136 -2.858 14.112 1.00 3.43 N ATOM 2531 CA GLN B 62 -17.586 -3.069 13.916 1.00 54.23 C ATOM 2532 C GLN B 62 -18.018 -2.740 12.475 1.00 11.52 C ATOM 2533 O GLN B 62 -18.892 -3.396 11.918 1.00 35.03 O ATOM 2534 CB GLN B 62 -18.368 -2.193 14.924 1.00 14.25 C ATOM 2535 CG GLN B 62 -18.000 -2.460 16.403 1.00 1.31 C ATOM 2536 CD GLN B 62 -18.698 -1.531 17.407 1.00 44.30 C ATOM 2537 OE1 GLN B 62 -18.976 -1.926 18.534 1.00 33.43 O ATOM 2538 NE2 GLN B 62 -18.959 -0.286 17.021 1.00 63.31 N ATOM 0 H GLN B 62 -15.920 -2.081 14.737 1.00 3.43 H new ATOM 0 HA GLN B 62 -17.809 -4.122 14.089 1.00 54.23 H new ATOM 0 HB2 GLN B 62 -18.183 -1.143 14.698 1.00 14.25 H new ATOM 0 HB3 GLN B 62 -19.436 -2.365 14.789 1.00 14.25 H new ATOM 0 HG2 GLN B 62 -18.251 -3.492 16.647 1.00 1.31 H new ATOM 0 HG3 GLN B 62 -16.921 -2.358 16.521 1.00 1.31 H new ATOM 0 HE21 GLN B 62 -18.717 0.017 16.077 1.00 63.31 H new ATOM 0 HE22 GLN B 62 -19.401 0.367 17.668 1.00 63.31 H new ATOM 2547 N ARG B 63 -17.406 -1.698 11.901 1.00 21.20 N ATOM 2548 CA ARG B 63 -17.666 -1.236 10.511 1.00 21.01 C ATOM 2549 C ARG B 63 -16.858 -2.053 9.500 1.00 5.15 C ATOM 2550 O ARG B 63 -17.232 -2.106 8.330 1.00 43.34 O ATOM 2551 CB ARG B 63 -17.368 0.286 10.334 1.00 33.50 C ATOM 2552 CG ARG B 63 -18.428 1.253 10.924 1.00 33.04 C ATOM 2553 CD ARG B 63 -18.563 1.176 12.454 1.00 32.45 C ATOM 2554 NE ARG B 63 -17.278 1.387 13.136 1.00 52.32 N ATOM 2555 CZ ARG B 63 -17.113 1.750 14.417 1.00 43.02 C ATOM 2556 NH1 ARG B 63 -18.153 1.972 15.209 1.00 45.24 N ATOM 2557 NH2 ARG B 63 -15.894 1.824 14.910 1.00 23.22 N ATOM 0 H ARG B 63 -16.705 -1.137 12.386 1.00 21.20 H new ATOM 0 HA ARG B 63 -18.728 -1.391 10.320 1.00 21.01 H new ATOM 0 HB2 ARG B 63 -16.406 0.505 10.797 1.00 33.50 H new ATOM 0 HB3 ARG B 63 -17.265 0.496 9.269 1.00 33.50 H new ATOM 0 HG2 ARG B 63 -18.169 2.274 10.643 1.00 33.04 H new ATOM 0 HG3 ARG B 63 -19.396 1.034 10.473 1.00 33.04 H new ATOM 0 HD2 ARG B 63 -19.279 1.925 12.792 1.00 32.45 H new ATOM 0 HD3 ARG B 63 -18.965 0.202 12.733 1.00 32.45 H new ATOM 0 HE ARG B 63 -16.433 1.244 12.584 1.00 52.32 H new ATOM 0 HH11 ARG B 63 -19.101 1.868 14.847 1.00 45.24 H new ATOM 0 HH12 ARG B 63 -18.005 2.247 16.180 1.00 45.24 H new ATOM 0 HH21 ARG B 63 -15.091 1.607 14.320 1.00 23.22 H new ATOM 0 HH22 ARG B 63 -15.753 2.099 15.882 1.00 23.22 H new ATOM 2571 N LEU B 64 -15.736 -2.628 9.976 1.00 54.33 N ATOM 2572 CA LEU B 64 -14.668 -3.259 9.153 1.00 74.32 C ATOM 2573 C LEU B 64 -15.227 -4.092 7.970 1.00 24.02 C ATOM 2574 O LEU B 64 -14.983 -3.754 6.813 1.00 44.14 O ATOM 2575 CB LEU B 64 -13.759 -4.134 10.088 1.00 1.32 C ATOM 2576 CG LEU B 64 -12.227 -4.205 9.771 1.00 20.43 C ATOM 2577 CD1 LEU B 64 -11.942 -4.909 8.448 1.00 71.14 C ATOM 2578 CD2 LEU B 64 -11.558 -2.808 9.816 1.00 4.24 C ATOM 0 H LEU B 64 -15.535 -2.671 10.975 1.00 54.33 H new ATOM 0 HA LEU B 64 -14.077 -2.465 8.696 1.00 74.32 H new ATOM 0 HB2 LEU B 64 -13.872 -3.762 11.106 1.00 1.32 H new ATOM 0 HB3 LEU B 64 -14.150 -5.152 10.076 1.00 1.32 H new ATOM 0 HG LEU B 64 -11.780 -4.808 10.561 1.00 20.43 H new ATOM 0 HD11 LEU B 64 -10.866 -4.933 8.273 1.00 71.14 H new ATOM 0 HD12 LEU B 64 -12.326 -5.928 8.488 1.00 71.14 H new ATOM 0 HD13 LEU B 64 -12.430 -4.369 7.636 1.00 71.14 H new ATOM 0 HD21 LEU B 64 -10.496 -2.906 9.590 1.00 4.24 H new ATOM 0 HD22 LEU B 64 -12.027 -2.156 9.079 1.00 4.24 H new ATOM 0 HD23 LEU B 64 -11.679 -2.378 10.810 1.00 4.24 H new ATOM 2590 N GLU B 65 -16.006 -5.143 8.285 1.00 25.52 N ATOM 2591 CA GLU B 65 -16.510 -6.113 7.274 1.00 32.21 C ATOM 2592 C GLU B 65 -17.573 -5.503 6.344 1.00 44.12 C ATOM 2593 O GLU B 65 -17.718 -5.940 5.199 1.00 4.02 O ATOM 2594 CB GLU B 65 -17.050 -7.390 7.954 1.00 23.43 C ATOM 2595 CG GLU B 65 -15.975 -8.187 8.712 1.00 62.01 C ATOM 2596 CD GLU B 65 -16.451 -9.593 9.121 1.00 20.22 C ATOM 2597 OE1 GLU B 65 -17.048 -9.747 10.207 1.00 10.52 O ATOM 2598 OE2 GLU B 65 -16.234 -10.557 8.349 1.00 70.34 O ATOM 0 H GLU B 65 -16.306 -5.350 9.238 1.00 25.52 H new ATOM 0 HA GLU B 65 -15.658 -6.381 6.649 1.00 32.21 H new ATOM 0 HB2 GLU B 65 -17.843 -7.114 8.649 1.00 23.43 H new ATOM 0 HB3 GLU B 65 -17.500 -8.032 7.197 1.00 23.43 H new ATOM 0 HG2 GLU B 65 -15.087 -8.277 8.086 1.00 62.01 H new ATOM 0 HG3 GLU B 65 -15.681 -7.634 9.604 1.00 62.01 H new ATOM 2605 N GLN B 66 -18.325 -4.523 6.860 1.00 63.32 N ATOM 2606 CA GLN B 66 -19.293 -3.741 6.063 1.00 74.32 C ATOM 2607 C GLN B 66 -18.550 -2.933 4.974 1.00 13.33 C ATOM 2608 O GLN B 66 -19.024 -2.807 3.838 1.00 73.25 O ATOM 2609 CB GLN B 66 -20.109 -2.803 6.996 1.00 21.11 C ATOM 2610 CG GLN B 66 -21.140 -1.893 6.294 1.00 24.20 C ATOM 2611 CD GLN B 66 -22.276 -2.653 5.606 1.00 75.12 C ATOM 2612 OE1 GLN B 66 -23.312 -2.932 6.211 1.00 74.43 O ATOM 2613 NE2 GLN B 66 -22.101 -2.979 4.335 1.00 23.11 N ATOM 0 H GLN B 66 -18.284 -4.246 7.841 1.00 63.32 H new ATOM 0 HA GLN B 66 -19.987 -4.420 5.568 1.00 74.32 H new ATOM 0 HB2 GLN B 66 -20.633 -3.416 7.729 1.00 21.11 H new ATOM 0 HB3 GLN B 66 -19.411 -2.173 7.547 1.00 21.11 H new ATOM 0 HG2 GLN B 66 -21.566 -1.210 7.029 1.00 24.20 H new ATOM 0 HG3 GLN B 66 -20.625 -1.282 5.553 1.00 24.20 H new ATOM 0 HE21 GLN B 66 -21.232 -2.734 3.861 1.00 23.11 H new ATOM 0 HE22 GLN B 66 -22.835 -3.475 3.830 1.00 23.11 H new ATOM 2622 N MET B 67 -17.371 -2.415 5.344 1.00 33.52 N ATOM 2623 CA MET B 67 -16.516 -1.618 4.448 1.00 5.10 C ATOM 2624 C MET B 67 -15.737 -2.518 3.471 1.00 61.52 C ATOM 2625 O MET B 67 -15.417 -2.086 2.357 1.00 14.33 O ATOM 2626 CB MET B 67 -15.564 -0.719 5.276 1.00 75.43 C ATOM 2627 CG MET B 67 -16.303 0.323 6.128 1.00 55.22 C ATOM 2628 SD MET B 67 -15.208 1.553 6.860 1.00 44.33 S ATOM 2629 CE MET B 67 -16.393 2.693 7.583 1.00 71.45 C ATOM 0 H MET B 67 -16.980 -2.537 6.278 1.00 33.52 H new ATOM 0 HA MET B 67 -17.155 -0.972 3.846 1.00 5.10 H new ATOM 0 HB2 MET B 67 -14.957 -1.347 5.928 1.00 75.43 H new ATOM 0 HB3 MET B 67 -14.880 -0.206 4.600 1.00 75.43 H new ATOM 0 HG2 MET B 67 -17.044 0.829 5.509 1.00 55.22 H new ATOM 0 HG3 MET B 67 -16.847 -0.188 6.923 1.00 55.22 H new ATOM 0 HE1 MET B 67 -16.120 3.716 7.323 1.00 71.45 H new ATOM 0 HE2 MET B 67 -17.389 2.475 7.198 1.00 71.45 H new ATOM 0 HE3 MET B 67 -16.390 2.581 8.667 1.00 71.45 H new ATOM 2639 N ILE B 68 -15.435 -3.763 3.900 1.00 24.14 N ATOM 2640 CA ILE B 68 -14.888 -4.803 3.006 1.00 73.40 C ATOM 2641 C ILE B 68 -15.924 -5.126 1.923 1.00 14.13 C ATOM 2642 O ILE B 68 -15.587 -5.227 0.751 1.00 34.33 O ATOM 2643 CB ILE B 68 -14.520 -6.131 3.767 1.00 10.23 C ATOM 2644 CG1 ILE B 68 -13.463 -5.879 4.885 1.00 12.53 C ATOM 2645 CG2 ILE B 68 -14.017 -7.225 2.781 1.00 64.24 C ATOM 2646 CD1 ILE B 68 -13.204 -7.090 5.766 1.00 62.02 C ATOM 0 H ILE B 68 -15.562 -4.071 4.864 1.00 24.14 H new ATOM 0 HA ILE B 68 -13.969 -4.407 2.573 1.00 73.40 H new ATOM 0 HB ILE B 68 -15.433 -6.490 4.243 1.00 10.23 H new ATOM 0 HG12 ILE B 68 -12.525 -5.570 4.423 1.00 12.53 H new ATOM 0 HG13 ILE B 68 -13.799 -5.051 5.510 1.00 12.53 H new ATOM 0 HG21 ILE B 68 -13.771 -8.130 3.336 1.00 64.24 H new ATOM 0 HG22 ILE B 68 -14.798 -7.447 2.054 1.00 64.24 H new ATOM 0 HG23 ILE B 68 -13.129 -6.866 2.261 1.00 64.24 H new ATOM 0 HD11 ILE B 68 -12.458 -6.839 6.520 1.00 62.02 H new ATOM 0 HD12 ILE B 68 -14.130 -7.387 6.257 1.00 62.02 H new ATOM 0 HD13 ILE B 68 -12.837 -7.914 5.154 1.00 62.02 H new ATOM 2658 N SER B 69 -17.189 -5.260 2.352 1.00 23.33 N ATOM 2659 CA SER B 69 -18.319 -5.573 1.463 1.00 64.22 C ATOM 2660 C SER B 69 -18.525 -4.454 0.425 1.00 52.43 C ATOM 2661 O SER B 69 -18.942 -4.718 -0.698 1.00 20.45 O ATOM 2662 CB SER B 69 -19.607 -5.805 2.290 1.00 54.11 C ATOM 2663 OG SER B 69 -20.678 -6.254 1.471 1.00 12.00 O ATOM 0 H SER B 69 -17.458 -5.154 3.330 1.00 23.33 H new ATOM 0 HA SER B 69 -18.089 -6.491 0.923 1.00 64.22 H new ATOM 0 HB2 SER B 69 -19.412 -6.540 3.071 1.00 54.11 H new ATOM 0 HB3 SER B 69 -19.892 -4.879 2.788 1.00 54.11 H new ATOM 0 HG SER B 69 -21.476 -6.393 2.023 1.00 12.00 H new ATOM 2669 N GLN B 70 -18.208 -3.210 0.823 1.00 52.15 N ATOM 2670 CA GLN B 70 -18.309 -2.035 -0.060 1.00 43.45 C ATOM 2671 C GLN B 70 -17.195 -2.070 -1.121 1.00 44.33 C ATOM 2672 O GLN B 70 -17.471 -1.988 -2.322 1.00 21.34 O ATOM 2673 CB GLN B 70 -18.257 -0.725 0.793 1.00 53.12 C ATOM 2674 CG GLN B 70 -18.675 0.585 0.064 1.00 11.11 C ATOM 2675 CD GLN B 70 -17.662 1.135 -0.954 1.00 54.03 C ATOM 2676 OE1 GLN B 70 -18.037 1.730 -1.964 1.00 1.22 O ATOM 2677 NE2 GLN B 70 -16.372 0.971 -0.684 1.00 22.34 N ATOM 0 H GLN B 70 -17.876 -2.991 1.762 1.00 52.15 H new ATOM 0 HA GLN B 70 -19.263 -2.055 -0.586 1.00 43.45 H new ATOM 0 HB2 GLN B 70 -18.903 -0.855 1.661 1.00 53.12 H new ATOM 0 HB3 GLN B 70 -17.241 -0.600 1.168 1.00 53.12 H new ATOM 0 HG2 GLN B 70 -19.619 0.407 -0.451 1.00 11.11 H new ATOM 0 HG3 GLN B 70 -18.861 1.353 0.815 1.00 11.11 H new ATOM 0 HE21 GLN B 70 -16.087 0.474 0.160 1.00 22.34 H new ATOM 0 HE22 GLN B 70 -15.667 1.342 -1.320 1.00 22.34 H new ATOM 2686 N ILE B 71 -15.942 -2.209 -0.652 1.00 61.15 N ATOM 2687 CA ILE B 71 -14.734 -2.129 -1.512 1.00 45.33 C ATOM 2688 C ILE B 71 -14.674 -3.342 -2.483 1.00 13.03 C ATOM 2689 O ILE B 71 -14.158 -3.242 -3.592 1.00 32.12 O ATOM 2690 CB ILE B 71 -13.434 -1.977 -0.616 1.00 73.21 C ATOM 2691 CG1 ILE B 71 -12.231 -1.318 -1.390 1.00 21.24 C ATOM 2692 CG2 ILE B 71 -13.012 -3.304 0.053 1.00 31.52 C ATOM 2693 CD1 ILE B 71 -11.424 -2.231 -2.299 1.00 41.52 C ATOM 0 H ILE B 71 -15.732 -2.380 0.331 1.00 61.15 H new ATOM 0 HA ILE B 71 -14.788 -1.239 -2.139 1.00 45.33 H new ATOM 0 HB ILE B 71 -13.713 -1.290 0.183 1.00 73.21 H new ATOM 0 HG12 ILE B 71 -12.622 -0.497 -1.992 1.00 21.24 H new ATOM 0 HG13 ILE B 71 -11.553 -0.881 -0.657 1.00 21.24 H new ATOM 0 HG21 ILE B 71 -12.117 -3.140 0.653 1.00 31.52 H new ATOM 0 HG22 ILE B 71 -13.818 -3.661 0.693 1.00 31.52 H new ATOM 0 HG23 ILE B 71 -12.802 -4.048 -0.715 1.00 31.52 H new ATOM 0 HD11 ILE B 71 -10.626 -1.659 -2.773 1.00 41.52 H new ATOM 0 HD12 ILE B 71 -10.990 -3.040 -1.710 1.00 41.52 H new ATOM 0 HD13 ILE B 71 -12.076 -2.650 -3.066 1.00 41.52 H new ATOM 2705 N ASP B 72 -15.264 -4.463 -2.036 1.00 35.24 N ATOM 2706 CA ASP B 72 -15.411 -5.714 -2.824 1.00 35.04 C ATOM 2707 C ASP B 72 -16.232 -5.491 -4.119 1.00 74.41 C ATOM 2708 O ASP B 72 -15.968 -6.139 -5.146 1.00 65.42 O ATOM 2709 CB ASP B 72 -16.032 -6.830 -1.903 1.00 73.23 C ATOM 2710 CG ASP B 72 -16.982 -7.844 -2.587 1.00 74.24 C ATOM 2711 OD1 ASP B 72 -16.540 -8.608 -3.472 1.00 52.32 O ATOM 2712 OD2 ASP B 72 -18.183 -7.886 -2.244 1.00 40.41 O ATOM 0 H ASP B 72 -15.662 -4.534 -1.100 1.00 35.24 H new ATOM 0 HA ASP B 72 -14.427 -6.044 -3.157 1.00 35.04 H new ATOM 0 HB2 ASP B 72 -15.215 -7.386 -1.443 1.00 73.23 H new ATOM 0 HB3 ASP B 72 -16.579 -6.341 -1.097 1.00 73.23 H new ATOM 2717 N LYS B 73 -17.196 -4.557 -4.072 1.00 53.00 N ATOM 2718 CA LYS B 73 -18.114 -4.296 -5.210 1.00 20.11 C ATOM 2719 C LYS B 73 -17.416 -3.535 -6.348 1.00 54.45 C ATOM 2720 O LYS B 73 -17.943 -3.476 -7.465 1.00 11.22 O ATOM 2721 CB LYS B 73 -19.378 -3.524 -4.736 1.00 72.13 C ATOM 2722 CG LYS B 73 -20.148 -4.203 -3.587 1.00 32.32 C ATOM 2723 CD LYS B 73 -20.443 -5.696 -3.868 1.00 45.02 C ATOM 2724 CE LYS B 73 -21.120 -6.398 -2.682 1.00 62.43 C ATOM 2725 NZ LYS B 73 -21.140 -7.871 -2.850 1.00 63.13 N ATOM 0 H LYS B 73 -17.366 -3.965 -3.259 1.00 53.00 H new ATOM 0 HA LYS B 73 -18.422 -5.265 -5.602 1.00 20.11 H new ATOM 0 HB2 LYS B 73 -19.080 -2.525 -4.416 1.00 72.13 H new ATOM 0 HB3 LYS B 73 -20.051 -3.399 -5.584 1.00 72.13 H new ATOM 0 HG2 LYS B 73 -19.570 -4.118 -2.667 1.00 32.32 H new ATOM 0 HG3 LYS B 73 -21.088 -3.676 -3.423 1.00 32.32 H new ATOM 0 HD2 LYS B 73 -21.083 -5.777 -4.747 1.00 45.02 H new ATOM 0 HD3 LYS B 73 -19.511 -6.208 -4.105 1.00 45.02 H new ATOM 0 HE2 LYS B 73 -20.594 -6.145 -1.762 1.00 62.43 H new ATOM 0 HE3 LYS B 73 -22.141 -6.031 -2.577 1.00 62.43 H new ATOM 0 HZ1 LYS B 73 -21.788 -8.291 -2.154 1.00 63.13 H new ATOM 0 HZ2 LYS B 73 -21.463 -8.107 -3.810 1.00 63.13 H new ATOM 0 HZ3 LYS B 73 -20.183 -8.250 -2.705 1.00 63.13 H new ATOM 2739 N LEU B 74 -16.238 -2.957 -6.059 1.00 22.05 N ATOM 2740 CA LEU B 74 -15.416 -2.276 -7.069 1.00 14.22 C ATOM 2741 C LEU B 74 -14.820 -3.317 -8.024 1.00 40.00 C ATOM 2742 O LEU B 74 -14.272 -4.332 -7.585 1.00 13.51 O ATOM 2743 CB LEU B 74 -14.312 -1.399 -6.410 1.00 70.14 C ATOM 2744 CG LEU B 74 -14.784 -0.035 -5.800 1.00 14.45 C ATOM 2745 CD1 LEU B 74 -15.458 0.856 -6.871 1.00 44.13 C ATOM 2746 CD2 LEU B 74 -15.713 -0.241 -4.580 1.00 70.33 C ATOM 0 H LEU B 74 -15.832 -2.949 -5.123 1.00 22.05 H new ATOM 0 HA LEU B 74 -16.048 -1.597 -7.641 1.00 14.22 H new ATOM 0 HB2 LEU B 74 -13.838 -1.982 -5.620 1.00 70.14 H new ATOM 0 HB3 LEU B 74 -13.546 -1.193 -7.158 1.00 70.14 H new ATOM 0 HG LEU B 74 -13.893 0.484 -5.445 1.00 14.45 H new ATOM 0 HD11 LEU B 74 -15.774 1.795 -6.417 1.00 44.13 H new ATOM 0 HD12 LEU B 74 -14.748 1.062 -7.672 1.00 44.13 H new ATOM 0 HD13 LEU B 74 -16.327 0.340 -7.279 1.00 44.13 H new ATOM 0 HD21 LEU B 74 -16.018 0.729 -4.187 1.00 70.33 H new ATOM 0 HD22 LEU B 74 -16.596 -0.802 -4.886 1.00 70.33 H new ATOM 0 HD23 LEU B 74 -15.181 -0.795 -3.807 1.00 70.33 H new ATOM 2758 N GLU B 75 -14.932 -3.038 -9.329 1.00 23.24 N ATOM 2759 CA GLU B 75 -14.678 -4.021 -10.408 1.00 1.34 C ATOM 2760 C GLU B 75 -13.175 -4.288 -10.614 1.00 31.15 C ATOM 2761 O GLU B 75 -12.793 -5.253 -11.286 1.00 44.33 O ATOM 2762 CB GLU B 75 -15.348 -3.513 -11.710 1.00 30.33 C ATOM 2763 CG GLU B 75 -16.875 -3.315 -11.586 1.00 13.13 C ATOM 2764 CD GLU B 75 -17.496 -2.607 -12.802 1.00 43.24 C ATOM 2765 OE1 GLU B 75 -17.517 -1.358 -12.830 1.00 65.33 O ATOM 2766 OE2 GLU B 75 -17.961 -3.293 -13.736 1.00 63.13 O ATOM 0 H GLU B 75 -15.203 -2.118 -9.676 1.00 23.24 H new ATOM 0 HA GLU B 75 -15.113 -4.978 -10.121 1.00 1.34 H new ATOM 0 HB2 GLU B 75 -14.890 -2.567 -11.999 1.00 30.33 H new ATOM 0 HB3 GLU B 75 -15.146 -4.222 -12.513 1.00 30.33 H new ATOM 0 HG2 GLU B 75 -17.351 -4.287 -11.457 1.00 13.13 H new ATOM 0 HG3 GLU B 75 -17.088 -2.735 -10.688 1.00 13.13 H new ATOM 2773 N ASP B 76 -12.332 -3.419 -10.038 1.00 32.52 N ATOM 2774 CA ASP B 76 -10.873 -3.629 -9.978 1.00 52.35 C ATOM 2775 C ASP B 76 -10.554 -4.830 -9.093 1.00 21.13 C ATOM 2776 O ASP B 76 -9.701 -5.644 -9.444 1.00 54.34 O ATOM 2777 CB ASP B 76 -10.136 -2.365 -9.496 1.00 53.32 C ATOM 2778 CG ASP B 76 -10.736 -1.716 -8.232 1.00 40.54 C ATOM 2779 OD1 ASP B 76 -11.739 -0.982 -8.365 1.00 31.53 O ATOM 2780 OD2 ASP B 76 -10.191 -1.896 -7.118 1.00 2.30 O ATOM 0 H ASP B 76 -12.639 -2.551 -9.600 1.00 32.52 H new ATOM 0 HA ASP B 76 -10.516 -3.837 -10.987 1.00 52.35 H new ATOM 0 HB2 ASP B 76 -9.095 -2.620 -9.298 1.00 53.32 H new ATOM 0 HB3 ASP B 76 -10.137 -1.630 -10.301 1.00 53.32 H new ATOM 2785 N VAL B 77 -11.269 -4.941 -7.961 1.00 21.32 N ATOM 2786 CA VAL B 77 -11.215 -6.122 -7.092 1.00 54.11 C ATOM 2787 C VAL B 77 -11.717 -7.359 -7.877 1.00 24.04 C ATOM 2788 O VAL B 77 -12.921 -7.569 -8.051 1.00 32.12 O ATOM 2789 CB VAL B 77 -12.036 -5.887 -5.757 1.00 23.14 C ATOM 2790 CG1 VAL B 77 -12.251 -7.192 -4.954 1.00 50.51 C ATOM 2791 CG2 VAL B 77 -11.332 -4.832 -4.877 1.00 50.44 C ATOM 0 H VAL B 77 -11.900 -4.213 -7.625 1.00 21.32 H new ATOM 0 HA VAL B 77 -10.183 -6.303 -6.791 1.00 54.11 H new ATOM 0 HB VAL B 77 -13.021 -5.523 -6.048 1.00 23.14 H new ATOM 0 HG11 VAL B 77 -12.819 -6.973 -4.050 1.00 50.51 H new ATOM 0 HG12 VAL B 77 -12.802 -7.908 -5.564 1.00 50.51 H new ATOM 0 HG13 VAL B 77 -11.284 -7.615 -4.682 1.00 50.51 H new ATOM 0 HG21 VAL B 77 -11.906 -4.679 -3.963 1.00 50.44 H new ATOM 0 HG22 VAL B 77 -10.331 -5.180 -4.623 1.00 50.44 H new ATOM 0 HG23 VAL B 77 -11.262 -3.891 -5.423 1.00 50.44 H new ATOM 2801 N VAL B 78 -10.751 -8.106 -8.428 1.00 32.33 N ATOM 2802 CA VAL B 78 -10.996 -9.362 -9.154 1.00 2.12 C ATOM 2803 C VAL B 78 -11.401 -10.451 -8.133 1.00 55.40 C ATOM 2804 O VAL B 78 -12.279 -11.281 -8.397 1.00 50.10 O ATOM 2805 CB VAL B 78 -9.710 -9.824 -9.964 1.00 3.31 C ATOM 2806 CG1 VAL B 78 -10.022 -10.982 -10.942 1.00 22.45 C ATOM 2807 CG2 VAL B 78 -9.043 -8.637 -10.707 1.00 33.14 C ATOM 0 H VAL B 78 -9.764 -7.853 -8.382 1.00 32.33 H new ATOM 0 HA VAL B 78 -11.797 -9.204 -9.876 1.00 2.12 H new ATOM 0 HB VAL B 78 -8.999 -10.201 -9.229 1.00 3.31 H new ATOM 0 HG11 VAL B 78 -9.113 -11.264 -11.474 1.00 22.45 H new ATOM 0 HG12 VAL B 78 -10.397 -11.839 -10.383 1.00 22.45 H new ATOM 0 HG13 VAL B 78 -10.776 -10.659 -11.659 1.00 22.45 H new ATOM 0 HG21 VAL B 78 -8.167 -8.993 -11.249 1.00 33.14 H new ATOM 0 HG22 VAL B 78 -9.753 -8.203 -11.410 1.00 33.14 H new ATOM 0 HG23 VAL B 78 -8.739 -7.880 -9.984 1.00 33.14 H new ATOM 2817 N LYS B 79 -10.737 -10.412 -6.953 1.00 73.12 N ATOM 2818 CA LYS B 79 -10.958 -11.356 -5.826 1.00 53.34 C ATOM 2819 C LYS B 79 -10.813 -10.618 -4.484 1.00 51.13 C ATOM 2820 O LYS B 79 -10.083 -9.628 -4.401 1.00 2.22 O ATOM 2821 CB LYS B 79 -9.944 -12.532 -5.866 1.00 34.24 C ATOM 2822 CG LYS B 79 -10.044 -13.432 -7.112 1.00 0.13 C ATOM 2823 CD LYS B 79 -9.034 -14.594 -7.085 1.00 11.33 C ATOM 2824 CE LYS B 79 -9.126 -15.484 -8.337 1.00 53.03 C ATOM 2825 NZ LYS B 79 -8.222 -16.657 -8.241 1.00 21.23 N ATOM 0 H LYS B 79 -10.021 -9.714 -6.752 1.00 73.12 H new ATOM 0 HA LYS B 79 -11.966 -11.758 -5.926 1.00 53.34 H new ATOM 0 HB2 LYS B 79 -8.935 -12.124 -5.810 1.00 34.24 H new ATOM 0 HB3 LYS B 79 -10.089 -13.148 -4.978 1.00 34.24 H new ATOM 0 HG2 LYS B 79 -11.054 -13.835 -7.185 1.00 0.13 H new ATOM 0 HG3 LYS B 79 -9.876 -12.830 -8.005 1.00 0.13 H new ATOM 0 HD2 LYS B 79 -8.024 -14.192 -7.003 1.00 11.33 H new ATOM 0 HD3 LYS B 79 -9.208 -15.202 -6.197 1.00 11.33 H new ATOM 0 HE2 LYS B 79 -10.153 -15.825 -8.467 1.00 53.03 H new ATOM 0 HE3 LYS B 79 -8.871 -14.898 -9.220 1.00 53.03 H new ATOM 0 HZ1 LYS B 79 -8.310 -17.234 -9.101 1.00 21.23 H new ATOM 0 HZ2 LYS B 79 -7.239 -16.331 -8.142 1.00 21.23 H new ATOM 0 HZ3 LYS B 79 -8.482 -17.229 -7.412 1.00 21.23 H new ATOM 2839 N VAL B 80 -11.509 -11.113 -3.445 1.00 1.33 N ATOM 2840 CA VAL B 80 -11.430 -10.573 -2.063 1.00 32.51 C ATOM 2841 C VAL B 80 -11.697 -11.707 -1.043 1.00 22.01 C ATOM 2842 O VAL B 80 -12.665 -12.461 -1.188 1.00 2.33 O ATOM 2843 CB VAL B 80 -12.451 -9.387 -1.834 1.00 1.45 C ATOM 2844 CG1 VAL B 80 -13.911 -9.849 -2.039 1.00 4.45 C ATOM 2845 CG2 VAL B 80 -12.241 -8.721 -0.444 1.00 62.01 C ATOM 0 H VAL B 80 -12.148 -11.903 -3.534 1.00 1.33 H new ATOM 0 HA VAL B 80 -10.426 -10.174 -1.917 1.00 32.51 H new ATOM 0 HB VAL B 80 -12.250 -8.627 -2.589 1.00 1.45 H new ATOM 0 HG11 VAL B 80 -14.585 -9.009 -1.874 1.00 4.45 H new ATOM 0 HG12 VAL B 80 -14.036 -10.220 -3.056 1.00 4.45 H new ATOM 0 HG13 VAL B 80 -14.143 -10.645 -1.332 1.00 4.45 H new ATOM 0 HG21 VAL B 80 -12.958 -7.910 -0.317 1.00 62.01 H new ATOM 0 HG22 VAL B 80 -12.390 -9.463 0.341 1.00 62.01 H new ATOM 0 HG23 VAL B 80 -11.228 -8.323 -0.380 1.00 62.01 H new ATOM 2855 N GLN B 81 -10.828 -11.853 -0.026 1.00 31.14 N ATOM 2856 CA GLN B 81 -10.986 -12.867 1.043 1.00 21.34 C ATOM 2857 C GLN B 81 -10.598 -12.260 2.405 1.00 65.32 C ATOM 2858 O GLN B 81 -9.657 -11.457 2.500 1.00 3.31 O ATOM 2859 CB GLN B 81 -10.135 -14.142 0.758 1.00 11.44 C ATOM 2860 CG GLN B 81 -10.453 -14.848 -0.581 1.00 1.11 C ATOM 2861 CD GLN B 81 -9.602 -16.091 -0.858 1.00 11.32 C ATOM 2862 OE1 GLN B 81 -9.185 -16.798 0.055 1.00 14.34 O ATOM 2863 NE2 GLN B 81 -9.336 -16.361 -2.131 1.00 23.24 N ATOM 0 H GLN B 81 -9.995 -11.274 0.081 1.00 31.14 H new ATOM 0 HA GLN B 81 -12.033 -13.169 1.066 1.00 21.34 H new ATOM 0 HB2 GLN B 81 -9.080 -13.867 0.766 1.00 11.44 H new ATOM 0 HB3 GLN B 81 -10.286 -14.852 1.572 1.00 11.44 H new ATOM 0 HG2 GLN B 81 -11.505 -15.134 -0.586 1.00 1.11 H new ATOM 0 HG3 GLN B 81 -10.312 -14.137 -1.395 1.00 1.11 H new ATOM 0 HE21 GLN B 81 -9.697 -15.754 -2.867 1.00 23.24 H new ATOM 0 HE22 GLN B 81 -8.771 -17.175 -2.372 1.00 23.24 H new ATOM 2872 N ARG B 82 -11.352 -12.643 3.447 1.00 43.05 N ATOM 2873 CA ARG B 82 -11.144 -12.182 4.831 1.00 71.12 C ATOM 2874 C ARG B 82 -10.532 -13.334 5.643 1.00 65.52 C ATOM 2875 O ARG B 82 -11.176 -14.380 5.808 1.00 42.43 O ATOM 2876 CB ARG B 82 -12.500 -11.758 5.451 1.00 54.50 C ATOM 2877 CG ARG B 82 -13.346 -10.813 4.574 1.00 74.45 C ATOM 2878 CD ARG B 82 -14.728 -10.545 5.182 1.00 74.53 C ATOM 2879 NE ARG B 82 -15.614 -9.809 4.267 1.00 44.45 N ATOM 2880 CZ ARG B 82 -16.873 -9.450 4.553 1.00 34.41 C ATOM 2881 NH1 ARG B 82 -17.411 -9.760 5.726 1.00 64.33 N ATOM 2882 NH2 ARG B 82 -17.590 -8.789 3.658 1.00 43.44 N ATOM 0 H ARG B 82 -12.134 -13.290 3.352 1.00 43.05 H new ATOM 0 HA ARG B 82 -10.472 -11.324 4.843 1.00 71.12 H new ATOM 0 HB2 ARG B 82 -13.083 -12.654 5.661 1.00 54.50 H new ATOM 0 HB3 ARG B 82 -12.309 -11.270 6.407 1.00 54.50 H new ATOM 0 HG2 ARG B 82 -12.818 -9.868 4.445 1.00 74.45 H new ATOM 0 HG3 ARG B 82 -13.465 -11.249 3.582 1.00 74.45 H new ATOM 0 HD2 ARG B 82 -15.194 -11.494 5.449 1.00 74.53 H new ATOM 0 HD3 ARG B 82 -14.611 -9.977 6.105 1.00 74.53 H new ATOM 0 HE ARG B 82 -15.244 -9.554 3.351 1.00 44.45 H new ATOM 0 HH11 ARG B 82 -16.866 -10.275 6.417 1.00 64.33 H new ATOM 0 HH12 ARG B 82 -18.370 -9.483 5.936 1.00 64.33 H new ATOM 0 HH21 ARG B 82 -17.184 -8.554 2.752 1.00 43.44 H new ATOM 0 HH22 ARG B 82 -18.548 -8.515 3.874 1.00 43.44 H new ATOM 2896 N ASN B 83 -9.295 -13.155 6.128 1.00 4.25 N ATOM 2897 CA ASN B 83 -8.563 -14.202 6.865 1.00 1.10 C ATOM 2898 C ASN B 83 -8.132 -13.663 8.227 1.00 12.34 C ATOM 2899 O ASN B 83 -7.413 -12.673 8.295 1.00 53.43 O ATOM 2900 CB ASN B 83 -7.331 -14.680 6.048 1.00 14.23 C ATOM 2901 CG ASN B 83 -7.706 -15.410 4.746 1.00 22.14 C ATOM 2902 OD1 ASN B 83 -7.038 -15.248 3.732 1.00 71.04 O ATOM 2903 ND2 ASN B 83 -8.749 -16.247 4.776 1.00 64.50 N ATOM 0 H ASN B 83 -8.773 -12.285 6.023 1.00 4.25 H new ATOM 0 HA ASN B 83 -9.220 -15.059 7.016 1.00 1.10 H new ATOM 0 HB2 ASN B 83 -6.708 -13.819 5.806 1.00 14.23 H new ATOM 0 HB3 ASN B 83 -6.729 -15.345 6.668 1.00 14.23 H new ATOM 0 HD21 ASN B 83 -9.007 -16.771 3.940 1.00 64.50 H new ATOM 0 HD22 ASN B 83 -9.287 -16.361 5.635 1.00 64.50 H new ATOM 2910 N GLN B 84 -8.575 -14.319 9.310 1.00 34.43 N ATOM 2911 CA GLN B 84 -8.198 -13.923 10.674 1.00 71.52 C ATOM 2912 C GLN B 84 -6.897 -14.655 11.023 1.00 43.04 C ATOM 2913 O GLN B 84 -6.924 -15.787 11.526 1.00 11.13 O ATOM 2914 CB GLN B 84 -9.331 -14.259 11.702 1.00 52.31 C ATOM 2915 CG GLN B 84 -10.787 -13.968 11.251 1.00 4.22 C ATOM 2916 CD GLN B 84 -11.103 -12.516 10.857 1.00 11.33 C ATOM 2917 OE1 GLN B 84 -10.287 -11.794 10.293 1.00 22.25 O ATOM 2918 NE2 GLN B 84 -12.310 -12.078 11.153 1.00 70.54 N ATOM 0 H GLN B 84 -9.196 -15.127 9.267 1.00 34.43 H new ATOM 0 HA GLN B 84 -8.051 -12.844 10.724 1.00 71.52 H new ATOM 0 HB2 GLN B 84 -9.258 -15.316 11.956 1.00 52.31 H new ATOM 0 HB3 GLN B 84 -9.139 -13.698 12.616 1.00 52.31 H new ATOM 0 HG2 GLN B 84 -11.016 -14.610 10.401 1.00 4.22 H new ATOM 0 HG3 GLN B 84 -11.459 -14.257 12.059 1.00 4.22 H new ATOM 0 HE21 GLN B 84 -12.975 -12.693 11.622 1.00 70.54 H new ATOM 0 HE22 GLN B 84 -12.579 -11.124 10.913 1.00 70.54 H new ATOM 2927 N SER B 85 -5.756 -14.016 10.710 1.00 74.45 N ATOM 2928 CA SER B 85 -4.438 -14.653 10.801 1.00 3.12 C ATOM 2929 C SER B 85 -3.381 -13.623 11.252 1.00 44.04 C ATOM 2930 O SER B 85 -3.697 -12.443 11.467 1.00 61.44 O ATOM 2931 CB SER B 85 -4.090 -15.304 9.436 1.00 51.25 C ATOM 2932 OG SER B 85 -2.943 -16.128 9.523 1.00 62.25 O ATOM 0 H SER B 85 -5.725 -13.048 10.389 1.00 74.45 H new ATOM 0 HA SER B 85 -4.450 -15.442 11.552 1.00 3.12 H new ATOM 0 HB2 SER B 85 -4.937 -15.896 9.089 1.00 51.25 H new ATOM 0 HB3 SER B 85 -3.921 -14.524 8.694 1.00 51.25 H new ATOM 0 HG SER B 85 -3.013 -16.856 8.871 1.00 62.25 H new ATOM 2938 N ASP B 86 -2.133 -14.091 11.398 1.00 62.01 N ATOM 2939 CA ASP B 86 -1.023 -13.311 11.980 1.00 40.40 C ATOM 2940 C ASP B 86 -0.213 -12.562 10.889 1.00 14.20 C ATOM 2941 O ASP B 86 -0.204 -12.988 9.731 1.00 41.12 O ATOM 2942 CB ASP B 86 -0.097 -14.266 12.786 1.00 33.04 C ATOM 2943 CG ASP B 86 -0.832 -14.945 13.952 1.00 4.24 C ATOM 2944 OD1 ASP B 86 -1.406 -16.039 13.750 1.00 54.10 O ATOM 2945 OD2 ASP B 86 -0.883 -14.365 15.062 1.00 72.53 O ATOM 0 H ASP B 86 -1.860 -15.031 11.113 1.00 62.01 H new ATOM 0 HA ASP B 86 -1.442 -12.555 12.644 1.00 40.40 H new ATOM 0 HB2 ASP B 86 0.304 -15.029 12.118 1.00 33.04 H new ATOM 0 HB3 ASP B 86 0.752 -13.703 13.173 1.00 33.04 H new ATOM 2950 N PRO B 87 0.503 -11.433 11.257 1.00 31.22 N ATOM 2951 CA PRO B 87 1.371 -10.654 10.321 1.00 75.11 C ATOM 2952 C PRO B 87 2.622 -11.433 9.845 1.00 43.15 C ATOM 2953 O PRO B 87 3.383 -10.946 9.008 1.00 34.35 O ATOM 2954 CB PRO B 87 1.777 -9.413 11.167 1.00 3.54 C ATOM 2955 CG PRO B 87 1.684 -9.874 12.580 1.00 73.23 C ATOM 2956 CD PRO B 87 0.501 -10.813 12.612 1.00 63.32 C ATOM 0 HA PRO B 87 0.847 -10.411 9.396 1.00 75.11 H new ATOM 0 HB2 PRO B 87 2.786 -9.081 10.924 1.00 3.54 H new ATOM 0 HB3 PRO B 87 1.111 -8.571 10.980 1.00 3.54 H new ATOM 0 HG2 PRO B 87 2.598 -10.381 12.890 1.00 73.23 H new ATOM 0 HG3 PRO B 87 1.539 -9.034 13.260 1.00 73.23 H new ATOM 0 HD2 PRO B 87 0.607 -11.563 13.395 1.00 63.32 H new ATOM 0 HD3 PRO B 87 -0.429 -10.279 12.806 1.00 63.32 H new ATOM 2964 N THR B 88 2.838 -12.632 10.403 1.00 33.45 N ATOM 2965 CA THR B 88 3.894 -13.548 9.945 1.00 74.44 C ATOM 2966 C THR B 88 3.563 -14.115 8.553 1.00 25.41 C ATOM 2967 O THR B 88 4.468 -14.457 7.789 1.00 44.25 O ATOM 2968 CB THR B 88 4.084 -14.710 10.954 1.00 65.32 C ATOM 2969 OG1 THR B 88 2.826 -15.376 11.158 1.00 31.54 O ATOM 2970 CG2 THR B 88 4.622 -14.212 12.307 1.00 62.14 C ATOM 0 H THR B 88 2.288 -12.994 11.182 1.00 33.45 H new ATOM 0 HA THR B 88 4.822 -12.981 9.879 1.00 74.44 H new ATOM 0 HB THR B 88 4.817 -15.400 10.535 1.00 65.32 H new ATOM 0 HG1 THR B 88 2.945 -16.112 11.794 1.00 31.54 H new ATOM 0 HG21 THR B 88 4.741 -15.057 12.985 1.00 62.14 H new ATOM 0 HG22 THR B 88 5.587 -13.727 12.159 1.00 62.14 H new ATOM 0 HG23 THR B 88 3.920 -13.498 12.737 1.00 62.14 H new ATOM 2978 N MET B 89 2.252 -14.211 8.256 1.00 42.23 N ATOM 2979 CA MET B 89 1.750 -14.627 6.930 1.00 11.31 C ATOM 2980 C MET B 89 2.182 -13.619 5.862 1.00 41.51 C ATOM 2981 O MET B 89 2.619 -14.013 4.785 1.00 63.15 O ATOM 2982 CB MET B 89 0.212 -14.781 6.951 1.00 40.41 C ATOM 2983 CG MET B 89 -0.287 -15.820 7.955 1.00 4.43 C ATOM 2984 SD MET B 89 0.397 -17.465 7.651 1.00 54.32 S ATOM 2985 CE MET B 89 -0.266 -18.394 9.034 1.00 23.25 C ATOM 0 H MET B 89 1.512 -14.003 8.927 1.00 42.23 H new ATOM 0 HA MET B 89 2.181 -15.598 6.684 1.00 11.31 H new ATOM 0 HB2 MET B 89 -0.238 -13.816 7.186 1.00 40.41 H new ATOM 0 HB3 MET B 89 -0.130 -15.058 5.954 1.00 40.41 H new ATOM 0 HG2 MET B 89 -0.023 -15.501 8.963 1.00 4.43 H new ATOM 0 HG3 MET B 89 -1.375 -15.869 7.911 1.00 4.43 H new ATOM 0 HE1 MET B 89 0.075 -19.428 8.975 1.00 23.25 H new ATOM 0 HE2 MET B 89 0.079 -17.951 9.968 1.00 23.25 H new ATOM 0 HE3 MET B 89 -1.355 -18.369 9.001 1.00 23.25 H new ATOM 2995 N PHE B 90 2.073 -12.319 6.213 1.00 2.12 N ATOM 2996 CA PHE B 90 2.571 -11.180 5.400 1.00 54.12 C ATOM 2997 C PHE B 90 4.038 -11.406 4.965 1.00 42.33 C ATOM 2998 O PHE B 90 4.381 -11.208 3.802 1.00 64.23 O ATOM 2999 CB PHE B 90 2.385 -9.850 6.217 1.00 44.52 C ATOM 3000 CG PHE B 90 3.423 -8.737 5.977 1.00 12.23 C ATOM 3001 CD1 PHE B 90 3.330 -7.889 4.879 1.00 20.12 C ATOM 3002 CD2 PHE B 90 4.494 -8.552 6.861 1.00 51.55 C ATOM 3003 CE1 PHE B 90 4.267 -6.897 4.664 1.00 74.50 C ATOM 3004 CE2 PHE B 90 5.427 -7.561 6.647 1.00 42.13 C ATOM 3005 CZ PHE B 90 5.316 -6.734 5.549 1.00 64.13 C ATOM 0 H PHE B 90 1.630 -12.023 7.083 1.00 2.12 H new ATOM 0 HA PHE B 90 1.992 -11.102 4.480 1.00 54.12 H new ATOM 0 HB2 PHE B 90 1.397 -9.448 5.991 1.00 44.52 H new ATOM 0 HB3 PHE B 90 2.393 -10.099 7.278 1.00 44.52 H new ATOM 0 HD1 PHE B 90 2.512 -8.008 4.183 1.00 20.12 H new ATOM 0 HD2 PHE B 90 4.590 -9.196 7.723 1.00 51.55 H new ATOM 0 HE1 PHE B 90 4.180 -6.249 3.804 1.00 74.50 H new ATOM 0 HE2 PHE B 90 6.246 -7.432 7.339 1.00 42.13 H new ATOM 0 HZ PHE B 90 6.049 -5.959 5.381 1.00 64.13 H new ATOM 3015 N ASN B 91 4.877 -11.849 5.912 1.00 40.54 N ATOM 3016 CA ASN B 91 6.303 -12.129 5.651 1.00 24.43 C ATOM 3017 C ASN B 91 6.458 -13.353 4.724 1.00 62.05 C ATOM 3018 O ASN B 91 7.213 -13.309 3.749 1.00 24.43 O ATOM 3019 CB ASN B 91 7.040 -12.373 6.987 1.00 72.01 C ATOM 3020 CG ASN B 91 8.506 -12.775 6.804 1.00 4.15 C ATOM 3021 OD1 ASN B 91 8.838 -13.954 6.739 1.00 1.43 O ATOM 3022 ND2 ASN B 91 9.388 -11.805 6.690 1.00 35.51 N ATOM 0 H ASN B 91 4.592 -12.024 6.876 1.00 40.54 H new ATOM 0 HA ASN B 91 6.743 -11.266 5.151 1.00 24.43 H new ATOM 0 HB2 ASN B 91 6.991 -11.467 7.592 1.00 72.01 H new ATOM 0 HB3 ASN B 91 6.522 -13.155 7.542 1.00 72.01 H new ATOM 0 HD21 ASN B 91 10.373 -12.026 6.544 1.00 35.51 H new ATOM 0 HD22 ASN B 91 9.087 -10.832 6.748 1.00 35.51 H new ATOM 3029 N LYS B 92 5.715 -14.419 5.060 1.00 71.21 N ATOM 3030 CA LYS B 92 5.766 -15.729 4.381 1.00 2.41 C ATOM 3031 C LYS B 92 5.531 -15.606 2.862 1.00 73.42 C ATOM 3032 O LYS B 92 6.296 -16.132 2.060 1.00 31.14 O ATOM 3033 CB LYS B 92 4.700 -16.669 5.007 1.00 52.40 C ATOM 3034 CG LYS B 92 4.629 -18.081 4.386 1.00 2.15 C ATOM 3035 CD LYS B 92 3.506 -18.946 5.005 1.00 32.51 C ATOM 3036 CE LYS B 92 3.492 -20.375 4.439 1.00 24.53 C ATOM 3037 NZ LYS B 92 4.782 -21.078 4.668 1.00 0.34 N ATOM 0 H LYS B 92 5.045 -14.396 5.829 1.00 71.21 H new ATOM 0 HA LYS B 92 6.765 -16.143 4.521 1.00 2.41 H new ATOM 0 HB2 LYS B 92 4.905 -16.767 6.073 1.00 52.40 H new ATOM 0 HB3 LYS B 92 3.722 -16.198 4.913 1.00 52.40 H new ATOM 0 HG2 LYS B 92 4.465 -17.994 3.312 1.00 2.15 H new ATOM 0 HG3 LYS B 92 5.587 -18.583 4.523 1.00 2.15 H new ATOM 0 HD2 LYS B 92 3.636 -18.987 6.086 1.00 32.51 H new ATOM 0 HD3 LYS B 92 2.542 -18.474 4.818 1.00 32.51 H new ATOM 0 HE2 LYS B 92 2.684 -20.941 4.903 1.00 24.53 H new ATOM 0 HE3 LYS B 92 3.284 -20.339 3.370 1.00 24.53 H new ATOM 0 HZ1 LYS B 92 4.659 -22.096 4.492 1.00 0.34 H new ATOM 0 HZ2 LYS B 92 5.503 -20.699 4.021 1.00 0.34 H new ATOM 0 HZ3 LYS B 92 5.087 -20.931 5.651 1.00 0.34 H new ATOM 3051 N ILE B 93 4.477 -14.883 2.500 1.00 4.13 N ATOM 3052 CA ILE B 93 4.028 -14.729 1.101 1.00 15.01 C ATOM 3053 C ILE B 93 4.870 -13.669 0.351 1.00 42.05 C ATOM 3054 O ILE B 93 4.976 -13.717 -0.877 1.00 35.14 O ATOM 3055 CB ILE B 93 2.492 -14.407 1.069 1.00 1.34 C ATOM 3056 CG1 ILE B 93 2.192 -13.060 1.805 1.00 45.45 C ATOM 3057 CG2 ILE B 93 1.696 -15.584 1.683 1.00 75.42 C ATOM 3058 CD1 ILE B 93 0.795 -12.912 2.387 1.00 71.45 C ATOM 0 H ILE B 93 3.897 -14.377 3.169 1.00 4.13 H new ATOM 0 HA ILE B 93 4.184 -15.669 0.572 1.00 15.01 H new ATOM 0 HB ILE B 93 2.174 -14.285 0.033 1.00 1.34 H new ATOM 0 HG12 ILE B 93 2.914 -12.942 2.613 1.00 45.45 H new ATOM 0 HG13 ILE B 93 2.360 -12.242 1.105 1.00 45.45 H new ATOM 0 HG21 ILE B 93 0.631 -15.355 1.658 1.00 75.42 H new ATOM 0 HG22 ILE B 93 1.886 -16.491 1.108 1.00 75.42 H new ATOM 0 HG23 ILE B 93 2.010 -15.736 2.716 1.00 75.42 H new ATOM 0 HD11 ILE B 93 0.704 -11.940 2.872 1.00 71.45 H new ATOM 0 HD12 ILE B 93 0.058 -12.989 1.588 1.00 71.45 H new ATOM 0 HD13 ILE B 93 0.620 -13.701 3.119 1.00 71.45 H new ATOM 3070 N ALA B 94 5.440 -12.708 1.110 1.00 24.04 N ATOM 3071 CA ALA B 94 6.396 -11.712 0.576 1.00 65.32 C ATOM 3072 C ALA B 94 7.705 -12.388 0.118 1.00 70.20 C ATOM 3073 O ALA B 94 8.266 -12.036 -0.929 1.00 71.13 O ATOM 3074 CB ALA B 94 6.693 -10.639 1.639 1.00 44.54 C ATOM 0 H ALA B 94 5.252 -12.600 2.107 1.00 24.04 H new ATOM 0 HA ALA B 94 5.941 -11.236 -0.292 1.00 65.32 H new ATOM 0 HB1 ALA B 94 7.397 -9.912 1.235 1.00 44.54 H new ATOM 0 HB2 ALA B 94 5.767 -10.133 1.914 1.00 44.54 H new ATOM 0 HB3 ALA B 94 7.125 -11.111 2.522 1.00 44.54 H new ATOM 3080 N VAL B 95 8.182 -13.363 0.920 1.00 31.12 N ATOM 3081 CA VAL B 95 9.467 -14.053 0.667 1.00 1.44 C ATOM 3082 C VAL B 95 9.300 -15.235 -0.312 1.00 35.43 C ATOM 3083 O VAL B 95 10.223 -15.555 -1.071 1.00 41.34 O ATOM 3084 CB VAL B 95 10.168 -14.507 2.011 1.00 72.43 C ATOM 3085 CG1 VAL B 95 9.361 -15.594 2.758 1.00 22.43 C ATOM 3086 CG2 VAL B 95 11.639 -14.949 1.772 1.00 42.21 C ATOM 0 H VAL B 95 7.694 -13.692 1.753 1.00 31.12 H new ATOM 0 HA VAL B 95 10.126 -13.328 0.190 1.00 1.44 H new ATOM 0 HB VAL B 95 10.191 -13.632 2.661 1.00 72.43 H new ATOM 0 HG11 VAL B 95 9.884 -15.871 3.673 1.00 22.43 H new ATOM 0 HG12 VAL B 95 8.373 -15.207 3.008 1.00 22.43 H new ATOM 0 HG13 VAL B 95 9.256 -16.472 2.120 1.00 22.43 H new ATOM 0 HG21 VAL B 95 12.086 -15.253 2.718 1.00 42.21 H new ATOM 0 HG22 VAL B 95 11.658 -15.787 1.075 1.00 42.21 H new ATOM 0 HG23 VAL B 95 12.206 -14.117 1.354 1.00 42.21 H new ATOM 3096 N PHE B 96 8.107 -15.859 -0.310 1.00 52.35 N ATOM 3097 CA PHE B 96 7.794 -17.013 -1.185 1.00 22.11 C ATOM 3098 C PHE B 96 7.318 -16.532 -2.578 1.00 74.32 C ATOM 3099 O PHE B 96 7.547 -17.220 -3.580 1.00 62.40 O ATOM 3100 CB PHE B 96 6.719 -17.905 -0.511 1.00 70.12 C ATOM 3101 CG PHE B 96 6.461 -19.249 -1.212 1.00 72.31 C ATOM 3102 CD1 PHE B 96 7.326 -20.331 -1.030 1.00 33.35 C ATOM 3103 CD2 PHE B 96 5.359 -19.432 -2.045 1.00 0.05 C ATOM 3104 CE1 PHE B 96 7.094 -21.545 -1.652 1.00 30.24 C ATOM 3105 CE2 PHE B 96 5.128 -20.644 -2.669 1.00 14.43 C ATOM 3106 CZ PHE B 96 5.995 -21.702 -2.471 1.00 20.51 C ATOM 0 H PHE B 96 7.333 -15.582 0.294 1.00 52.35 H new ATOM 0 HA PHE B 96 8.699 -17.603 -1.329 1.00 22.11 H new ATOM 0 HB2 PHE B 96 7.023 -18.101 0.517 1.00 70.12 H new ATOM 0 HB3 PHE B 96 5.782 -17.349 -0.467 1.00 70.12 H new ATOM 0 HD1 PHE B 96 8.191 -20.218 -0.393 1.00 33.35 H new ATOM 0 HD2 PHE B 96 4.674 -18.613 -2.206 1.00 0.05 H new ATOM 0 HE1 PHE B 96 7.773 -22.370 -1.496 1.00 30.24 H new ATOM 0 HE2 PHE B 96 4.269 -20.764 -3.312 1.00 14.43 H new ATOM 0 HZ PHE B 96 5.813 -22.649 -2.956 1.00 20.51 H new