USER MOD reduce.3.24.130724 H: found=0, std=0, add=832, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 831 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 137 TYR OH : rot 110:sc= 0.114 USER MOD Set 1.2: A 139 LYS NZ :NH3+ -171:sc= -0.223 (180deg=-0.536) USER MOD Set 2.1: A 83 HIS : no HD1:sc= -2.42! C(o=-2.6!,f=-4.3!) USER MOD Set 2.2: A 86 HIS : no HE2:sc= -0.354 K(o=-2.6,f=-3.2) USER MOD Set 2.3: A 88 HIS : no HD1:sc= 0.213 K(o=-2.6,f=-4.3) USER MOD Set 3.1: A 75 THR OG1 : rot -8:sc= 1.16 USER MOD Set 3.2: A 89 TYR OH : rot 45:sc= 0.00208 USER MOD Set 4.1: A 60 SER OG : rot 83:sc= -0.039 USER MOD Set 4.2: A 69 GLN : amide:sc= -0.0966 K(o=-1,f=-6!) USER MOD Set 4.3: A 90 TYR OH : rot 15:sc= -0.901 USER MOD Single : A 53 ASN :FLIP amide:sc= 0 F(o=-1.2,f=0) USER MOD Single : A 55 THR OG1 : rot -144:sc= 1.35 USER MOD Single : A 61 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0282) USER MOD Single : A 66 ASN :FLIP amide:sc=-0.00408 F(o=-1.6,f=-0.0041) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 79 TYR OH : rot 91:sc= -2.7! USER MOD Single : A 81 THR OG1 : rot -40:sc= 0.218 USER MOD Single : A 82 SER OG : rot 62:sc= 0.0789 USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 ASN : amide:sc= 0.598 K(o=0.6,f=-0.69) USER MOD Single : A 93 LYS NZ :NH3+ -163:sc= -0.0247 (180deg=-0.2) USER MOD Single : A 96 TYR OH : rot 115:sc= 0.648 USER MOD Single : A 101 SER OG : rot 150:sc= -0.145 USER MOD Single : A 106 MET CE :methyl -135:sc= -1.31 (180deg=-6.08!) USER MOD Single : A 111 TYR OH : rot 180:sc= -0.0339 USER MOD Single : A 112 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 114 LYS NZ :NH3+ -163:sc= -0.0378 (180deg=-0.302) USER MOD Single : A 116 SER OG : rot 180:sc= 0 USER MOD Single : A 120 ASN : amide:sc= -2.02 K(o=-2,f=-5!) USER MOD Single : A 123 LYS NZ :NH3+ 165:sc= 1.21 (180deg=1.08) USER MOD Single : A 126 TYR OH : rot -131:sc= 1.21 USER MOD Single : A 129 LYS NZ :NH3+ 177:sc= 1.29 (180deg=1.24) USER MOD Single : A 133 LYS NZ :NH3+ -163:sc= 1.6 (180deg=0.909) USER MOD Single : A 134 TYR OH : rot -50:sc= -3.3! USER MOD Single : A 135 TYR OH : rot 180:sc= 0 USER MOD Single : A 143 HIS : no HD1:sc= -0.245 K(o=-0.24,f=-4!) USER MOD Single : A 146 ASN : amide:sc= -3 K(o=-3,f=-9.5!) USER MOD Single : A 149 THR OG1 : rot 180:sc= -0.125 USER MOD Single : A 150 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 154 LYS NZ :NH3+ -143:sc= -0.83 (180deg=-2.79!) USER MOD Single : A 156 GLN :FLIP amide:sc= -0.0533 F(o=-1.2!,f=-0.053) USER MOD Single : A 157 LYS NZ :NH3+ 163:sc= 1.28 (180deg=1.15) USER MOD Single : A 158 GLN : amide:sc= 0 K(o=0,f=-0.79) USER MOD ----------------------------------------------------------------- ATOM 157 N ALA A 51 -9.453 -10.124 1.529 1.00 0.80 N ATOM 158 CA ALA A 51 -8.239 -10.154 0.719 1.00 0.75 C ATOM 159 C ALA A 51 -8.619 -10.225 -0.755 1.00 0.83 C ATOM 160 O ALA A 51 -8.447 -11.257 -1.406 1.00 1.01 O ATOM 161 CB ALA A 51 -7.331 -11.312 1.114 1.00 0.84 C ATOM 0 HA ALA A 51 -7.674 -9.239 0.897 1.00 0.75 H new ATOM 0 HB1 ALA A 51 -6.437 -11.303 0.490 1.00 0.84 H new ATOM 0 HB2 ALA A 51 -7.044 -11.209 2.160 1.00 0.84 H new ATOM 0 HB3 ALA A 51 -7.861 -12.254 0.974 1.00 0.84 H new ATOM 167 N GLU A 52 -9.152 -9.110 -1.251 1.00 0.75 N ATOM 168 CA GLU A 52 -9.703 -9.012 -2.603 1.00 0.86 C ATOM 169 C GLU A 52 -8.777 -9.648 -3.645 1.00 0.97 C ATOM 170 O GLU A 52 -7.568 -9.410 -3.643 1.00 1.04 O ATOM 171 CB GLU A 52 -9.942 -7.544 -2.975 1.00 0.83 C ATOM 172 CG GLU A 52 -10.570 -6.696 -1.874 1.00 0.91 C ATOM 173 CD GLU A 52 -11.848 -7.300 -1.320 1.00 1.63 C ATOM 174 OE1 GLU A 52 -12.754 -7.617 -2.115 1.00 2.04 O ATOM 175 OE2 GLU A 52 -11.952 -7.461 -0.085 1.00 1.98 O ATOM 0 H GLU A 52 -9.215 -8.241 -0.721 1.00 0.75 H new ATOM 0 HA GLU A 52 -10.647 -9.556 -2.604 1.00 0.86 H new ATOM 0 HB2 GLU A 52 -8.989 -7.097 -3.259 1.00 0.83 H new ATOM 0 HB3 GLU A 52 -10.586 -7.507 -3.854 1.00 0.83 H new ATOM 0 HG2 GLU A 52 -9.852 -6.572 -1.064 1.00 0.91 H new ATOM 0 HG3 GLU A 52 -10.784 -5.702 -2.266 1.00 0.91 H new ATOM 182 N ASN A 53 -9.351 -10.466 -4.522 1.00 1.07 N ATOM 183 CA ASN A 53 -8.579 -11.129 -5.571 1.00 1.20 C ATOM 184 C ASN A 53 -8.512 -10.279 -6.838 1.00 1.20 C ATOM 185 O ASN A 53 -7.651 -10.498 -7.689 1.00 1.34 O ATOM 186 CB ASN A 53 -9.159 -12.507 -5.906 1.00 1.31 C ATOM 187 CG ASN A 53 -8.819 -13.584 -4.883 1.00 1.88 C ATOM 188 OD1 ASN A 53 -8.689 -13.207 -3.621 1.00 2.59 O flip ATOM 189 ND2 ASN A 53 -8.680 -14.758 -5.232 1.00 2.43 N flip ATOM 0 H ASN A 53 -10.347 -10.686 -4.528 1.00 1.07 H new ATOM 0 HA ASN A 53 -7.568 -11.259 -5.184 1.00 1.20 H new ATOM 0 HB2 ASN A 53 -10.243 -12.425 -5.986 1.00 1.31 H new ATOM 0 HB3 ASN A 53 -8.790 -12.818 -6.883 1.00 1.31 H new ATOM 0 HD21 ASN A 53 -8.787 -15.014 -6.213 1.00 2.43 H new ATOM 0 HD22 ASN A 53 -8.458 -15.473 -4.539 1.00 2.43 H new ATOM 196 N LEU A 54 -9.422 -9.320 -6.974 1.00 1.12 N ATOM 197 CA LEU A 54 -9.387 -8.400 -8.114 1.00 1.15 C ATOM 198 C LEU A 54 -8.361 -7.303 -7.868 1.00 1.13 C ATOM 199 O LEU A 54 -7.678 -7.298 -6.842 1.00 1.13 O ATOM 200 CB LEU A 54 -10.774 -7.790 -8.446 1.00 1.18 C ATOM 201 CG LEU A 54 -11.324 -6.722 -7.496 1.00 1.18 C ATOM 202 CD1 LEU A 54 -12.830 -6.607 -7.648 1.00 1.28 C ATOM 203 CD2 LEU A 54 -10.961 -7.022 -6.067 1.00 1.81 C ATOM 0 H LEU A 54 -10.187 -9.157 -6.319 1.00 1.12 H new ATOM 0 HA LEU A 54 -9.094 -8.984 -8.986 1.00 1.15 H new ATOM 0 HB2 LEU A 54 -10.720 -7.356 -9.444 1.00 1.18 H new ATOM 0 HB3 LEU A 54 -11.497 -8.604 -8.491 1.00 1.18 H new ATOM 0 HG LEU A 54 -10.869 -5.768 -7.762 1.00 1.18 H new ATOM 0 HD11 LEU A 54 -13.207 -5.844 -6.967 1.00 1.28 H new ATOM 0 HD12 LEU A 54 -13.072 -6.329 -8.674 1.00 1.28 H new ATOM 0 HD13 LEU A 54 -13.294 -7.565 -7.413 1.00 1.28 H new ATOM 0 HD21 LEU A 54 -11.366 -6.246 -5.418 1.00 1.81 H new ATOM 0 HD22 LEU A 54 -11.378 -7.988 -5.781 1.00 1.81 H new ATOM 0 HD23 LEU A 54 -9.876 -7.050 -5.965 1.00 1.81 H new ATOM 215 N THR A 55 -8.249 -6.379 -8.798 1.00 1.16 N ATOM 216 CA THR A 55 -7.255 -5.325 -8.687 1.00 1.21 C ATOM 217 C THR A 55 -7.689 -4.314 -7.638 1.00 1.14 C ATOM 218 O THR A 55 -8.882 -4.175 -7.373 1.00 1.09 O ATOM 219 CB THR A 55 -7.038 -4.588 -10.020 1.00 1.31 C ATOM 220 OG1 THR A 55 -8.182 -3.785 -10.317 1.00 1.30 O ATOM 221 CG2 THR A 55 -6.794 -5.573 -11.148 1.00 1.40 C ATOM 0 H THR A 55 -8.829 -6.333 -9.636 1.00 1.16 H new ATOM 0 HA THR A 55 -6.316 -5.799 -8.401 1.00 1.21 H new ATOM 0 HB THR A 55 -6.159 -3.951 -9.924 1.00 1.31 H new ATOM 0 HG1 THR A 55 -8.340 -3.786 -11.284 1.00 1.30 H new ATOM 0 HG21 THR A 55 -6.643 -5.029 -12.080 1.00 1.40 H new ATOM 0 HG22 THR A 55 -5.907 -6.167 -10.927 1.00 1.40 H new ATOM 0 HG23 THR A 55 -7.656 -6.232 -11.248 1.00 1.40 H new ATOM 229 N PRO A 56 -6.737 -3.600 -7.026 1.00 1.18 N ATOM 230 CA PRO A 56 -7.044 -2.569 -6.038 1.00 1.10 C ATOM 231 C PRO A 56 -8.020 -1.528 -6.579 1.00 1.05 C ATOM 232 O PRO A 56 -8.821 -0.969 -5.834 1.00 0.97 O ATOM 233 CB PRO A 56 -5.693 -1.925 -5.720 1.00 1.21 C ATOM 234 CG PRO A 56 -4.710 -2.492 -6.688 1.00 1.38 C ATOM 235 CD PRO A 56 -5.295 -3.760 -7.240 1.00 1.34 C ATOM 0 HA PRO A 56 -7.529 -2.993 -5.159 1.00 1.10 H new ATOM 0 HB2 PRO A 56 -5.749 -0.841 -5.816 1.00 1.21 H new ATOM 0 HB3 PRO A 56 -5.394 -2.140 -4.694 1.00 1.21 H new ATOM 0 HG2 PRO A 56 -4.510 -1.782 -7.490 1.00 1.38 H new ATOM 0 HG3 PRO A 56 -3.759 -2.692 -6.195 1.00 1.38 H new ATOM 0 HD2 PRO A 56 -5.058 -3.883 -8.297 1.00 1.34 H new ATOM 0 HD3 PRO A 56 -4.908 -4.638 -6.722 1.00 1.34 H new ATOM 243 N ASP A 57 -7.966 -1.294 -7.883 1.00 1.13 N ATOM 244 CA ASP A 57 -8.864 -0.344 -8.527 1.00 1.14 C ATOM 245 C ASP A 57 -10.278 -0.901 -8.559 1.00 1.07 C ATOM 246 O ASP A 57 -11.224 -0.235 -8.137 1.00 1.05 O ATOM 247 CB ASP A 57 -8.389 -0.020 -9.947 1.00 1.30 C ATOM 248 CG ASP A 57 -7.069 0.723 -9.967 1.00 1.61 C ATOM 249 OD1 ASP A 57 -7.080 1.961 -9.809 1.00 1.67 O ATOM 250 OD2 ASP A 57 -6.013 0.074 -10.147 1.00 2.15 O ATOM 0 H ASP A 57 -7.309 -1.749 -8.517 1.00 1.13 H new ATOM 0 HA ASP A 57 -8.859 0.579 -7.948 1.00 1.14 H new ATOM 0 HB2 ASP A 57 -8.288 -0.947 -10.512 1.00 1.30 H new ATOM 0 HB3 ASP A 57 -9.147 0.580 -10.451 1.00 1.30 H new ATOM 255 N GLU A 58 -10.413 -2.131 -9.051 1.00 1.09 N ATOM 256 CA GLU A 58 -11.674 -2.840 -9.033 1.00 1.05 C ATOM 257 C GLU A 58 -12.246 -2.937 -7.615 1.00 0.93 C ATOM 258 O GLU A 58 -13.459 -3.022 -7.437 1.00 0.93 O ATOM 259 CB GLU A 58 -11.472 -4.235 -9.634 1.00 1.12 C ATOM 260 CG GLU A 58 -11.583 -4.277 -11.152 1.00 1.26 C ATOM 261 CD GLU A 58 -10.649 -3.334 -11.887 1.00 1.83 C ATOM 262 OE1 GLU A 58 -10.956 -2.129 -11.969 1.00 2.17 O ATOM 263 OE2 GLU A 58 -9.618 -3.803 -12.423 1.00 2.54 O ATOM 0 H GLU A 58 -9.647 -2.657 -9.471 1.00 1.09 H new ATOM 0 HA GLU A 58 -12.397 -2.285 -9.631 1.00 1.05 H new ATOM 0 HB2 GLU A 58 -10.490 -4.607 -9.341 1.00 1.12 H new ATOM 0 HB3 GLU A 58 -12.210 -4.914 -9.207 1.00 1.12 H new ATOM 0 HG2 GLU A 58 -11.386 -5.295 -11.488 1.00 1.26 H new ATOM 0 HG3 GLU A 58 -12.609 -4.041 -11.433 1.00 1.26 H new ATOM 270 N VAL A 59 -11.372 -2.906 -6.612 1.00 0.86 N ATOM 271 CA VAL A 59 -11.801 -2.982 -5.216 1.00 0.75 C ATOM 272 C VAL A 59 -12.697 -1.807 -4.841 1.00 0.71 C ATOM 273 O VAL A 59 -13.884 -1.984 -4.550 1.00 0.71 O ATOM 274 CB VAL A 59 -10.597 -2.996 -4.244 1.00 0.72 C ATOM 275 CG1 VAL A 59 -11.060 -3.022 -2.796 1.00 0.63 C ATOM 276 CG2 VAL A 59 -9.687 -4.176 -4.520 1.00 0.82 C ATOM 0 H VAL A 59 -10.363 -2.829 -6.739 1.00 0.86 H new ATOM 0 HA VAL A 59 -12.356 -3.916 -5.124 1.00 0.75 H new ATOM 0 HB VAL A 59 -10.034 -2.077 -4.410 1.00 0.72 H new ATOM 0 HG11 VAL A 59 -10.192 -3.031 -2.137 1.00 0.63 H new ATOM 0 HG12 VAL A 59 -11.662 -2.137 -2.591 1.00 0.63 H new ATOM 0 HG13 VAL A 59 -11.658 -3.916 -2.621 1.00 0.63 H new ATOM 0 HG21 VAL A 59 -8.850 -4.161 -3.822 1.00 0.82 H new ATOM 0 HG22 VAL A 59 -10.246 -5.103 -4.396 1.00 0.82 H new ATOM 0 HG23 VAL A 59 -9.310 -4.114 -5.541 1.00 0.82 H new ATOM 286 N SER A 60 -12.141 -0.604 -4.884 1.00 0.70 N ATOM 287 CA SER A 60 -12.826 0.556 -4.351 1.00 0.70 C ATOM 288 C SER A 60 -13.956 1.015 -5.263 1.00 0.74 C ATOM 289 O SER A 60 -15.011 1.442 -4.791 1.00 0.72 O ATOM 290 CB SER A 60 -11.839 1.689 -4.140 1.00 0.76 C ATOM 291 OG SER A 60 -10.509 1.255 -4.357 1.00 0.97 O ATOM 0 H SER A 60 -11.222 -0.410 -5.281 1.00 0.70 H new ATOM 0 HA SER A 60 -13.266 0.270 -3.396 1.00 0.70 H new ATOM 0 HB2 SER A 60 -12.072 2.509 -4.819 1.00 0.76 H new ATOM 0 HB3 SER A 60 -11.937 2.077 -3.126 1.00 0.76 H new ATOM 0 HG SER A 60 -10.310 1.277 -5.316 1.00 0.97 H new ATOM 297 N LYS A 61 -13.738 0.915 -6.568 1.00 0.87 N ATOM 298 CA LYS A 61 -14.733 1.339 -7.540 1.00 0.96 C ATOM 299 C LYS A 61 -16.042 0.573 -7.354 1.00 0.94 C ATOM 300 O LYS A 61 -17.126 1.117 -7.563 1.00 1.01 O ATOM 301 CB LYS A 61 -14.213 1.152 -8.966 1.00 1.10 C ATOM 302 CG LYS A 61 -13.044 2.060 -9.314 1.00 1.17 C ATOM 303 CD LYS A 61 -12.513 1.767 -10.708 1.00 1.36 C ATOM 304 CE LYS A 61 -11.310 2.633 -11.050 1.00 2.01 C ATOM 305 NZ LYS A 61 -11.666 4.072 -11.164 1.00 2.54 N ATOM 0 H LYS A 61 -12.880 0.544 -6.976 1.00 0.87 H new ATOM 0 HA LYS A 61 -14.927 2.399 -7.375 1.00 0.96 H new ATOM 0 HB2 LYS A 61 -13.908 0.114 -9.099 1.00 1.10 H new ATOM 0 HB3 LYS A 61 -15.027 1.337 -9.667 1.00 1.10 H new ATOM 0 HG2 LYS A 61 -13.359 3.102 -9.254 1.00 1.17 H new ATOM 0 HG3 LYS A 61 -12.247 1.926 -8.583 1.00 1.17 H new ATOM 0 HD2 LYS A 61 -12.235 0.715 -10.777 1.00 1.36 H new ATOM 0 HD3 LYS A 61 -13.302 1.936 -11.440 1.00 1.36 H new ATOM 0 HE2 LYS A 61 -10.546 2.510 -10.282 1.00 2.01 H new ATOM 0 HE3 LYS A 61 -10.875 2.293 -11.990 1.00 2.01 H new ATOM 0 HZ1 LYS A 61 -10.845 4.606 -11.513 1.00 2.54 H new ATOM 0 HZ2 LYS A 61 -12.458 4.182 -11.829 1.00 2.54 H new ATOM 0 HZ3 LYS A 61 -11.944 4.436 -10.230 1.00 2.54 H new ATOM 319 N ARG A 62 -15.933 -0.688 -6.952 1.00 0.88 N ATOM 320 CA ARG A 62 -17.100 -1.521 -6.715 1.00 0.89 C ATOM 321 C ARG A 62 -17.802 -1.140 -5.418 1.00 0.77 C ATOM 322 O ARG A 62 -19.017 -0.939 -5.397 1.00 0.82 O ATOM 323 CB ARG A 62 -16.704 -2.995 -6.666 1.00 0.93 C ATOM 324 CG ARG A 62 -16.404 -3.600 -8.020 1.00 1.21 C ATOM 325 CD ARG A 62 -15.952 -5.040 -7.892 1.00 1.21 C ATOM 326 NE ARG A 62 -16.948 -5.877 -7.224 1.00 1.85 N ATOM 327 CZ ARG A 62 -16.796 -6.379 -5.997 1.00 2.40 C ATOM 328 NH1 ARG A 62 -15.716 -6.079 -5.284 1.00 2.53 N ATOM 329 NH2 ARG A 62 -17.731 -7.166 -5.478 1.00 3.33 N ATOM 0 H ARG A 62 -15.042 -1.155 -6.783 1.00 0.88 H new ATOM 0 HA ARG A 62 -17.791 -1.358 -7.542 1.00 0.89 H new ATOM 0 HB2 ARG A 62 -15.826 -3.103 -6.029 1.00 0.93 H new ATOM 0 HB3 ARG A 62 -17.509 -3.561 -6.198 1.00 0.93 H new ATOM 0 HG2 ARG A 62 -17.294 -3.550 -8.648 1.00 1.21 H new ATOM 0 HG3 ARG A 62 -15.630 -3.016 -8.518 1.00 1.21 H new ATOM 0 HD2 ARG A 62 -15.747 -5.444 -8.884 1.00 1.21 H new ATOM 0 HD3 ARG A 62 -15.017 -5.077 -7.334 1.00 1.21 H new ATOM 0 HE ARG A 62 -17.810 -6.090 -7.726 1.00 1.85 H new ATOM 0 HH11 ARG A 62 -15.002 -5.464 -5.674 1.00 2.53 H new ATOM 0 HH12 ARG A 62 -15.601 -6.463 -4.346 1.00 2.53 H new ATOM 0 HH21 ARG A 62 -18.568 -7.388 -6.017 1.00 3.33 H new ATOM 0 HH22 ARG A 62 -17.613 -7.549 -4.540 1.00 3.33 H new ATOM 343 N GLU A 63 -17.031 -1.034 -4.346 1.00 0.68 N ATOM 344 CA GLU A 63 -17.589 -0.805 -3.016 1.00 0.63 C ATOM 345 C GLU A 63 -18.149 0.604 -2.868 1.00 0.66 C ATOM 346 O GLU A 63 -18.988 0.858 -2.003 1.00 0.73 O ATOM 347 CB GLU A 63 -16.534 -1.077 -1.951 1.00 0.59 C ATOM 348 CG GLU A 63 -15.250 -0.287 -2.129 1.00 0.58 C ATOM 349 CD GLU A 63 -14.177 -0.747 -1.178 1.00 0.65 C ATOM 350 OE1 GLU A 63 -14.171 -0.265 -0.029 1.00 1.25 O ATOM 351 OE2 GLU A 63 -13.375 -1.592 -1.543 1.00 1.21 O ATOM 0 H GLU A 63 -16.014 -1.103 -4.369 1.00 0.68 H new ATOM 0 HA GLU A 63 -18.420 -1.498 -2.881 1.00 0.63 H new ATOM 0 HB2 GLU A 63 -16.955 -0.848 -0.972 1.00 0.59 H new ATOM 0 HB3 GLU A 63 -16.296 -2.141 -1.955 1.00 0.59 H new ATOM 0 HG2 GLU A 63 -14.897 -0.393 -3.155 1.00 0.58 H new ATOM 0 HG3 GLU A 63 -15.449 0.772 -1.968 1.00 0.58 H new ATOM 358 N GLY A 64 -17.674 1.518 -3.693 1.00 0.69 N ATOM 359 CA GLY A 64 -18.238 2.849 -3.709 1.00 0.74 C ATOM 360 C GLY A 64 -17.227 3.918 -3.383 1.00 0.72 C ATOM 361 O GLY A 64 -17.083 4.886 -4.129 1.00 0.86 O ATOM 0 H GLY A 64 -16.910 1.364 -4.351 1.00 0.69 H new ATOM 0 HA2 GLY A 64 -18.663 3.046 -4.693 1.00 0.74 H new ATOM 0 HA3 GLY A 64 -19.057 2.900 -2.992 1.00 0.74 H new ATOM 365 N ILE A 65 -16.527 3.756 -2.268 1.00 0.62 N ATOM 366 CA ILE A 65 -15.530 4.735 -1.869 1.00 0.67 C ATOM 367 C ILE A 65 -14.363 4.723 -2.842 1.00 0.81 C ATOM 368 O ILE A 65 -13.724 3.699 -3.058 1.00 1.76 O ATOM 369 CB ILE A 65 -15.012 4.518 -0.425 1.00 0.61 C ATOM 370 CG1 ILE A 65 -14.349 3.150 -0.246 1.00 0.53 C ATOM 371 CG2 ILE A 65 -16.148 4.671 0.566 1.00 0.89 C ATOM 372 CD1 ILE A 65 -13.743 2.952 1.131 1.00 0.49 C ATOM 0 H ILE A 65 -16.630 2.965 -1.632 1.00 0.62 H new ATOM 0 HA ILE A 65 -16.023 5.707 -1.889 1.00 0.67 H new ATOM 0 HB ILE A 65 -14.254 5.278 -0.237 1.00 0.61 H new ATOM 0 HG12 ILE A 65 -15.088 2.369 -0.426 1.00 0.53 H new ATOM 0 HG13 ILE A 65 -13.570 3.030 -0.999 1.00 0.53 H new ATOM 0 HG21 ILE A 65 -15.772 4.516 1.577 1.00 0.89 H new ATOM 0 HG22 ILE A 65 -16.569 5.673 0.485 1.00 0.89 H new ATOM 0 HG23 ILE A 65 -16.921 3.934 0.350 1.00 0.89 H new ATOM 0 HD11 ILE A 65 -13.290 1.962 1.190 1.00 0.49 H new ATOM 0 HD12 ILE A 65 -12.981 3.711 1.306 1.00 0.49 H new ATOM 0 HD13 ILE A 65 -14.523 3.040 1.888 1.00 0.49 H new ATOM 384 N ASN A 66 -14.104 5.865 -3.446 1.00 0.75 N ATOM 385 CA ASN A 66 -13.003 5.991 -4.381 1.00 0.69 C ATOM 386 C ASN A 66 -11.849 6.704 -3.702 1.00 0.61 C ATOM 387 O ASN A 66 -10.953 7.233 -4.360 1.00 0.64 O ATOM 388 CB ASN A 66 -13.421 6.748 -5.643 1.00 0.83 C ATOM 389 CG ASN A 66 -14.499 6.041 -6.450 1.00 1.38 C ATOM 390 OD1 ASN A 66 -14.570 4.722 -6.350 1.00 2.09 O flip ATOM 391 ND2 ASN A 66 -15.271 6.684 -7.159 1.00 2.10 N flip ATOM 0 H ASN A 66 -14.641 6.721 -3.306 1.00 0.75 H new ATOM 0 HA ASN A 66 -12.693 4.991 -4.686 1.00 0.69 H new ATOM 0 HB2 ASN A 66 -13.781 7.737 -5.360 1.00 0.83 H new ATOM 0 HB3 ASN A 66 -12.545 6.896 -6.274 1.00 0.83 H new ATOM 0 HD21 ASN A 66 -15.188 7.699 -7.213 1.00 2.10 H new ATOM 0 HD22 ASN A 66 -15.994 6.202 -7.693 1.00 2.10 H new ATOM 398 N ALA A 67 -11.894 6.730 -2.371 1.00 0.54 N ATOM 399 CA ALA A 67 -10.842 7.352 -1.575 1.00 0.49 C ATOM 400 C ALA A 67 -9.500 6.666 -1.809 1.00 0.44 C ATOM 401 O ALA A 67 -9.451 5.488 -2.179 1.00 0.45 O ATOM 402 CB ALA A 67 -11.211 7.311 -0.104 1.00 0.47 C ATOM 0 H ALA A 67 -12.652 6.325 -1.821 1.00 0.54 H new ATOM 0 HA ALA A 67 -10.745 8.392 -1.886 1.00 0.49 H new ATOM 0 HB1 ALA A 67 -10.420 7.778 0.483 1.00 0.47 H new ATOM 0 HB2 ALA A 67 -12.145 7.851 0.052 1.00 0.47 H new ATOM 0 HB3 ALA A 67 -11.334 6.275 0.212 1.00 0.47 H new ATOM 408 N GLU A 68 -8.416 7.401 -1.578 1.00 0.44 N ATOM 409 CA GLU A 68 -7.080 6.908 -1.886 1.00 0.42 C ATOM 410 C GLU A 68 -6.704 5.738 -0.996 1.00 0.34 C ATOM 411 O GLU A 68 -6.912 5.772 0.219 1.00 0.35 O ATOM 412 CB GLU A 68 -6.035 8.011 -1.741 1.00 0.50 C ATOM 413 CG GLU A 68 -6.252 9.177 -2.685 1.00 0.78 C ATOM 414 CD GLU A 68 -6.514 8.740 -4.113 1.00 1.79 C ATOM 415 OE1 GLU A 68 -5.543 8.510 -4.862 1.00 2.28 O ATOM 416 OE2 GLU A 68 -7.697 8.620 -4.495 1.00 2.59 O ATOM 0 H GLU A 68 -8.438 8.339 -1.179 1.00 0.44 H new ATOM 0 HA GLU A 68 -7.098 6.571 -2.923 1.00 0.42 H new ATOM 0 HB2 GLU A 68 -6.045 8.378 -0.715 1.00 0.50 H new ATOM 0 HB3 GLU A 68 -5.046 7.589 -1.919 1.00 0.50 H new ATOM 0 HG2 GLU A 68 -7.095 9.772 -2.332 1.00 0.78 H new ATOM 0 HG3 GLU A 68 -5.375 9.823 -2.663 1.00 0.78 H new ATOM 423 N GLN A 69 -6.141 4.715 -1.615 1.00 0.31 N ATOM 424 CA GLN A 69 -5.762 3.499 -0.915 1.00 0.24 C ATOM 425 C GLN A 69 -4.389 3.652 -0.293 1.00 0.21 C ATOM 426 O GLN A 69 -3.389 3.755 -1.000 1.00 0.27 O ATOM 427 CB GLN A 69 -5.779 2.306 -1.867 1.00 0.29 C ATOM 428 CG GLN A 69 -7.178 1.912 -2.299 1.00 0.43 C ATOM 429 CD GLN A 69 -7.191 0.814 -3.338 1.00 0.80 C ATOM 430 OE1 GLN A 69 -6.290 0.713 -4.171 1.00 1.64 O ATOM 431 NE2 GLN A 69 -8.212 -0.022 -3.286 1.00 0.76 N ATOM 0 H GLN A 69 -5.934 4.703 -2.614 1.00 0.31 H new ATOM 0 HA GLN A 69 -6.487 3.321 -0.121 1.00 0.24 H new ATOM 0 HB2 GLN A 69 -5.186 2.544 -2.750 1.00 0.29 H new ATOM 0 HB3 GLN A 69 -5.301 1.455 -1.382 1.00 0.29 H new ATOM 0 HG2 GLN A 69 -7.743 1.585 -1.426 1.00 0.43 H new ATOM 0 HG3 GLN A 69 -7.689 2.788 -2.699 1.00 0.43 H new ATOM 0 HE21 GLN A 69 -8.936 0.100 -2.578 1.00 0.76 H new ATOM 0 HE22 GLN A 69 -8.277 -0.790 -3.954 1.00 0.76 H new ATOM 440 N ILE A 70 -4.356 3.677 1.027 1.00 0.19 N ATOM 441 CA ILE A 70 -3.116 3.853 1.758 1.00 0.17 C ATOM 442 C ILE A 70 -2.663 2.529 2.358 1.00 0.14 C ATOM 443 O ILE A 70 -3.158 2.111 3.401 1.00 0.14 O ATOM 444 CB ILE A 70 -3.289 4.901 2.873 1.00 0.21 C ATOM 445 CG1 ILE A 70 -3.879 6.182 2.282 1.00 0.27 C ATOM 446 CG2 ILE A 70 -1.956 5.183 3.555 1.00 0.21 C ATOM 447 CD1 ILE A 70 -4.241 7.222 3.313 1.00 0.36 C ATOM 0 H ILE A 70 -5.181 3.577 1.618 1.00 0.19 H new ATOM 0 HA ILE A 70 -2.356 4.205 1.061 1.00 0.17 H new ATOM 0 HB ILE A 70 -3.973 4.512 3.627 1.00 0.21 H new ATOM 0 HG12 ILE A 70 -3.161 6.612 1.583 1.00 0.27 H new ATOM 0 HG13 ILE A 70 -4.770 5.928 1.708 1.00 0.27 H new ATOM 0 HG21 ILE A 70 -2.099 5.926 4.340 1.00 0.21 H new ATOM 0 HG22 ILE A 70 -1.569 4.263 3.993 1.00 0.21 H new ATOM 0 HG23 ILE A 70 -1.245 5.563 2.821 1.00 0.21 H new ATOM 0 HD11 ILE A 70 -4.653 8.100 2.815 1.00 0.36 H new ATOM 0 HD12 ILE A 70 -4.983 6.812 3.998 1.00 0.36 H new ATOM 0 HD13 ILE A 70 -3.349 7.506 3.872 1.00 0.36 H new ATOM 459 N VAL A 71 -1.736 1.861 1.686 1.00 0.15 N ATOM 460 CA VAL A 71 -1.233 0.577 2.151 1.00 0.15 C ATOM 461 C VAL A 71 -0.509 0.756 3.486 1.00 0.14 C ATOM 462 O VAL A 71 0.540 1.393 3.549 1.00 0.17 O ATOM 463 CB VAL A 71 -0.275 -0.075 1.122 1.00 0.18 C ATOM 464 CG1 VAL A 71 0.129 -1.473 1.562 1.00 0.19 C ATOM 465 CG2 VAL A 71 -0.904 -0.125 -0.264 1.00 0.20 C ATOM 0 H VAL A 71 -1.317 2.188 0.816 1.00 0.15 H new ATOM 0 HA VAL A 71 -2.088 -0.087 2.278 1.00 0.15 H new ATOM 0 HB VAL A 71 0.619 0.546 1.071 1.00 0.18 H new ATOM 0 HG11 VAL A 71 0.801 -1.907 0.822 1.00 0.19 H new ATOM 0 HG12 VAL A 71 0.636 -1.419 2.525 1.00 0.19 H new ATOM 0 HG13 VAL A 71 -0.760 -2.097 1.655 1.00 0.19 H new ATOM 0 HG21 VAL A 71 -0.207 -0.588 -0.963 1.00 0.20 H new ATOM 0 HG22 VAL A 71 -1.823 -0.711 -0.226 1.00 0.20 H new ATOM 0 HG23 VAL A 71 -1.133 0.888 -0.596 1.00 0.20 H new ATOM 475 N ILE A 72 -1.094 0.218 4.548 1.00 0.14 N ATOM 476 CA ILE A 72 -0.533 0.344 5.892 1.00 0.17 C ATOM 477 C ILE A 72 0.266 -0.892 6.268 1.00 0.22 C ATOM 478 O ILE A 72 1.147 -0.845 7.131 1.00 0.29 O ATOM 479 CB ILE A 72 -1.637 0.550 6.943 1.00 0.18 C ATOM 480 CG1 ILE A 72 -2.751 -0.477 6.731 1.00 0.19 C ATOM 481 CG2 ILE A 72 -2.174 1.969 6.876 1.00 0.19 C ATOM 482 CD1 ILE A 72 -3.788 -0.501 7.826 1.00 0.21 C ATOM 0 H ILE A 72 -1.963 -0.314 4.506 1.00 0.14 H new ATOM 0 HA ILE A 72 0.122 1.215 5.879 1.00 0.17 H new ATOM 0 HB ILE A 72 -1.219 0.402 7.938 1.00 0.18 H new ATOM 0 HG12 ILE A 72 -3.246 -0.269 5.782 1.00 0.19 H new ATOM 0 HG13 ILE A 72 -2.305 -1.468 6.647 1.00 0.19 H new ATOM 0 HG21 ILE A 72 -2.954 2.098 7.626 1.00 0.19 H new ATOM 0 HG22 ILE A 72 -1.365 2.674 7.069 1.00 0.19 H new ATOM 0 HG23 ILE A 72 -2.589 2.155 5.885 1.00 0.19 H new ATOM 0 HD11 ILE A 72 -4.541 -1.256 7.598 1.00 0.21 H new ATOM 0 HD12 ILE A 72 -3.309 -0.741 8.775 1.00 0.21 H new ATOM 0 HD13 ILE A 72 -4.265 0.477 7.897 1.00 0.21 H new ATOM 494 N LYS A 73 -0.054 -1.998 5.626 1.00 0.21 N ATOM 495 CA LYS A 73 0.653 -3.241 5.851 1.00 0.26 C ATOM 496 C LYS A 73 0.896 -3.955 4.531 1.00 0.24 C ATOM 497 O LYS A 73 0.028 -3.975 3.661 1.00 0.25 O ATOM 498 CB LYS A 73 -0.139 -4.146 6.793 1.00 0.35 C ATOM 499 CG LYS A 73 0.418 -5.559 6.868 1.00 0.41 C ATOM 500 CD LYS A 73 -0.463 -6.487 7.679 1.00 0.59 C ATOM 501 CE LYS A 73 -0.635 -6.004 9.110 1.00 1.22 C ATOM 502 NZ LYS A 73 -1.491 -6.924 9.901 1.00 1.94 N ATOM 0 H LYS A 73 -0.806 -2.060 4.939 1.00 0.21 H new ATOM 0 HA LYS A 73 1.613 -3.010 6.312 1.00 0.26 H new ATOM 0 HB2 LYS A 73 -0.141 -3.709 7.791 1.00 0.35 H new ATOM 0 HB3 LYS A 73 -1.176 -4.188 6.461 1.00 0.35 H new ATOM 0 HG2 LYS A 73 0.528 -5.957 5.859 1.00 0.41 H new ATOM 0 HG3 LYS A 73 1.414 -5.531 7.310 1.00 0.41 H new ATOM 0 HD2 LYS A 73 -1.441 -6.566 7.203 1.00 0.59 H new ATOM 0 HD3 LYS A 73 -0.029 -7.487 7.684 1.00 0.59 H new ATOM 0 HE2 LYS A 73 0.342 -5.918 9.585 1.00 1.22 H new ATOM 0 HE3 LYS A 73 -1.077 -5.008 9.107 1.00 1.22 H new ATOM 0 HZ1 LYS A 73 -1.586 -6.562 10.871 1.00 1.94 H new ATOM 0 HZ2 LYS A 73 -2.432 -6.987 9.462 1.00 1.94 H new ATOM 0 HZ3 LYS A 73 -1.056 -7.868 9.925 1.00 1.94 H new ATOM 516 N ILE A 74 2.071 -4.547 4.396 1.00 0.28 N ATOM 517 CA ILE A 74 2.428 -5.277 3.190 1.00 0.31 C ATOM 518 C ILE A 74 2.879 -6.682 3.555 1.00 0.38 C ATOM 519 O ILE A 74 3.684 -6.854 4.472 1.00 0.41 O ATOM 520 CB ILE A 74 3.602 -4.649 2.417 1.00 0.35 C ATOM 521 CG1 ILE A 74 3.592 -3.129 2.429 1.00 0.38 C ATOM 522 CG2 ILE A 74 3.574 -5.134 0.988 1.00 0.40 C ATOM 523 CD1 ILE A 74 4.863 -2.544 1.851 1.00 0.44 C ATOM 0 H ILE A 74 2.798 -4.536 5.111 1.00 0.28 H new ATOM 0 HA ILE A 74 1.534 -5.261 2.567 1.00 0.31 H new ATOM 0 HB ILE A 74 4.515 -4.963 2.923 1.00 0.35 H new ATOM 0 HG12 ILE A 74 2.736 -2.769 1.859 1.00 0.38 H new ATOM 0 HG13 ILE A 74 3.464 -2.776 3.452 1.00 0.38 H new ATOM 0 HG21 ILE A 74 4.404 -4.691 0.437 1.00 0.40 H new ATOM 0 HG22 ILE A 74 3.665 -6.220 0.971 1.00 0.40 H new ATOM 0 HG23 ILE A 74 2.633 -4.841 0.523 1.00 0.40 H new ATOM 0 HD11 ILE A 74 4.809 -1.456 1.881 1.00 0.44 H new ATOM 0 HD12 ILE A 74 5.718 -2.881 2.437 1.00 0.44 H new ATOM 0 HD13 ILE A 74 4.978 -2.873 0.818 1.00 0.44 H new ATOM 535 N THR A 75 2.383 -7.678 2.840 1.00 0.45 N ATOM 536 CA THR A 75 2.871 -9.035 3.004 1.00 0.54 C ATOM 537 C THR A 75 3.001 -9.709 1.649 1.00 0.60 C ATOM 538 O THR A 75 2.511 -9.195 0.643 1.00 0.71 O ATOM 539 CB THR A 75 1.958 -9.888 3.924 1.00 0.69 C ATOM 540 OG1 THR A 75 0.641 -9.994 3.367 1.00 0.79 O ATOM 541 CG2 THR A 75 1.863 -9.294 5.323 1.00 0.72 C ATOM 0 H THR A 75 1.646 -7.572 2.143 1.00 0.45 H new ATOM 0 HA THR A 75 3.847 -8.967 3.484 1.00 0.54 H new ATOM 0 HB THR A 75 2.407 -10.879 3.996 1.00 0.69 H new ATOM 0 HG1 THR A 75 0.564 -9.398 2.593 1.00 0.79 H new ATOM 0 HG21 THR A 75 1.216 -9.917 5.940 1.00 0.72 H new ATOM 0 HG22 THR A 75 2.857 -9.251 5.768 1.00 0.72 H new ATOM 0 HG23 THR A 75 1.448 -8.288 5.264 1.00 0.72 H new ATOM 549 N ASP A 76 3.665 -10.851 1.626 1.00 0.70 N ATOM 550 CA ASP A 76 3.845 -11.608 0.394 1.00 0.82 C ATOM 551 C ASP A 76 2.503 -12.158 -0.085 1.00 0.90 C ATOM 552 O ASP A 76 2.318 -12.458 -1.263 1.00 1.08 O ATOM 553 CB ASP A 76 4.835 -12.753 0.627 1.00 1.00 C ATOM 554 CG ASP A 76 5.334 -13.372 -0.663 1.00 1.46 C ATOM 555 OD1 ASP A 76 6.245 -12.786 -1.288 1.00 2.01 O ATOM 556 OD2 ASP A 76 4.835 -14.448 -1.051 1.00 2.15 O ATOM 0 H ASP A 76 4.091 -11.278 2.448 1.00 0.70 H new ATOM 0 HA ASP A 76 4.245 -10.947 -0.375 1.00 0.82 H new ATOM 0 HB2 ASP A 76 5.685 -12.381 1.198 1.00 1.00 H new ATOM 0 HB3 ASP A 76 4.357 -13.523 1.232 1.00 1.00 H new ATOM 561 N GLN A 77 1.562 -12.249 0.847 1.00 0.94 N ATOM 562 CA GLN A 77 0.241 -12.804 0.577 1.00 1.14 C ATOM 563 C GLN A 77 -0.729 -11.709 0.117 1.00 1.11 C ATOM 564 O GLN A 77 -1.884 -11.980 -0.223 1.00 1.49 O ATOM 565 CB GLN A 77 -0.287 -13.468 1.851 1.00 1.36 C ATOM 566 CG GLN A 77 -1.499 -14.357 1.642 1.00 1.89 C ATOM 567 CD GLN A 77 -2.089 -14.827 2.953 1.00 2.52 C ATOM 568 OE1 GLN A 77 -1.685 -15.854 3.498 1.00 2.98 O ATOM 569 NE2 GLN A 77 -3.055 -14.084 3.463 1.00 3.19 N ATOM 0 H GLN A 77 1.693 -11.941 1.810 1.00 0.94 H new ATOM 0 HA GLN A 77 0.321 -13.540 -0.223 1.00 1.14 H new ATOM 0 HB2 GLN A 77 0.512 -14.063 2.293 1.00 1.36 H new ATOM 0 HB3 GLN A 77 -0.542 -12.691 2.572 1.00 1.36 H new ATOM 0 HG2 GLN A 77 -2.256 -13.812 1.078 1.00 1.89 H new ATOM 0 HG3 GLN A 77 -1.216 -15.221 1.041 1.00 1.89 H new ATOM 0 HE21 GLN A 77 -3.359 -13.240 2.978 1.00 3.19 H new ATOM 0 HE22 GLN A 77 -3.496 -14.354 4.342 1.00 3.19 H new ATOM 578 N GLY A 78 -0.253 -10.475 0.099 1.00 0.78 N ATOM 579 CA GLY A 78 -1.099 -9.348 -0.247 1.00 0.78 C ATOM 580 C GLY A 78 -0.865 -8.189 0.691 1.00 0.72 C ATOM 581 O GLY A 78 -0.006 -8.269 1.565 1.00 0.99 O ATOM 0 H GLY A 78 0.712 -10.230 0.319 1.00 0.78 H new ATOM 0 HA2 GLY A 78 -0.896 -9.038 -1.272 1.00 0.78 H new ATOM 0 HA3 GLY A 78 -2.146 -9.648 -0.206 1.00 0.78 H new ATOM 585 N TYR A 79 -1.604 -7.107 0.538 1.00 0.43 N ATOM 586 CA TYR A 79 -1.405 -5.962 1.409 1.00 0.36 C ATOM 587 C TYR A 79 -2.722 -5.445 1.952 1.00 0.28 C ATOM 588 O TYR A 79 -3.792 -5.723 1.405 1.00 0.28 O ATOM 589 CB TYR A 79 -0.660 -4.831 0.716 1.00 0.40 C ATOM 590 CG TYR A 79 -0.041 -5.194 -0.601 1.00 1.14 C ATOM 591 CD1 TYR A 79 1.127 -5.931 -0.677 1.00 2.36 C ATOM 592 CD2 TYR A 79 -0.627 -4.773 -1.764 1.00 1.23 C ATOM 593 CE1 TYR A 79 1.700 -6.237 -1.891 1.00 3.09 C ATOM 594 CE2 TYR A 79 -0.066 -5.064 -2.990 1.00 1.86 C ATOM 595 CZ TYR A 79 1.103 -5.799 -3.047 1.00 2.67 C ATOM 596 OH TYR A 79 1.687 -6.071 -4.259 1.00 3.47 O ATOM 0 H TYR A 79 -2.334 -6.995 -0.166 1.00 0.43 H new ATOM 0 HA TYR A 79 -0.791 -6.314 2.238 1.00 0.36 H new ATOM 0 HB2 TYR A 79 -1.351 -4.003 0.560 1.00 0.40 H new ATOM 0 HB3 TYR A 79 0.124 -4.471 1.382 1.00 0.40 H new ATOM 0 HD1 TYR A 79 1.598 -6.273 0.233 1.00 2.36 H new ATOM 0 HD2 TYR A 79 -1.544 -4.204 -1.721 1.00 1.23 H new ATOM 0 HE1 TYR A 79 2.611 -6.816 -1.933 1.00 3.09 H new ATOM 0 HE2 TYR A 79 -0.537 -4.720 -3.899 1.00 1.86 H new ATOM 0 HH TYR A 79 1.335 -6.916 -4.610 1.00 3.47 H new ATOM 606 N VAL A 80 -2.631 -4.693 3.034 1.00 0.29 N ATOM 607 CA VAL A 80 -3.800 -4.138 3.686 1.00 0.27 C ATOM 608 C VAL A 80 -3.740 -2.622 3.617 1.00 0.21 C ATOM 609 O VAL A 80 -2.738 -2.015 4.001 1.00 0.19 O ATOM 610 CB VAL A 80 -3.889 -4.588 5.158 1.00 0.28 C ATOM 611 CG1 VAL A 80 -5.264 -4.295 5.737 1.00 0.28 C ATOM 612 CG2 VAL A 80 -3.554 -6.067 5.279 1.00 0.40 C ATOM 0 H VAL A 80 -1.748 -4.451 3.483 1.00 0.29 H new ATOM 0 HA VAL A 80 -4.688 -4.502 3.169 1.00 0.27 H new ATOM 0 HB VAL A 80 -3.159 -4.020 5.734 1.00 0.28 H new ATOM 0 HG11 VAL A 80 -5.299 -4.623 6.776 1.00 0.28 H new ATOM 0 HG12 VAL A 80 -5.459 -3.224 5.688 1.00 0.28 H new ATOM 0 HG13 VAL A 80 -6.022 -4.828 5.163 1.00 0.28 H new ATOM 0 HG21 VAL A 80 -3.621 -6.371 6.324 1.00 0.40 H new ATOM 0 HG22 VAL A 80 -4.259 -6.649 4.686 1.00 0.40 H new ATOM 0 HG23 VAL A 80 -2.542 -6.242 4.914 1.00 0.40 H new ATOM 622 N THR A 81 -4.796 -2.019 3.109 1.00 0.22 N ATOM 623 CA THR A 81 -4.818 -0.586 2.893 1.00 0.22 C ATOM 624 C THR A 81 -5.810 0.099 3.818 1.00 0.22 C ATOM 625 O THR A 81 -6.904 -0.400 4.042 1.00 0.35 O ATOM 626 CB THR A 81 -5.188 -0.259 1.434 1.00 0.32 C ATOM 627 OG1 THR A 81 -6.433 -0.880 1.089 1.00 0.36 O ATOM 628 CG2 THR A 81 -4.103 -0.735 0.485 1.00 0.40 C ATOM 0 H THR A 81 -5.653 -2.501 2.837 1.00 0.22 H new ATOM 0 HA THR A 81 -3.816 -0.214 3.109 1.00 0.22 H new ATOM 0 HB THR A 81 -5.285 0.823 1.342 1.00 0.32 H new ATOM 0 HG1 THR A 81 -6.472 -1.776 1.483 1.00 0.36 H new ATOM 0 HG21 THR A 81 -4.385 -0.494 -0.540 1.00 0.40 H new ATOM 0 HG22 THR A 81 -3.163 -0.240 0.729 1.00 0.40 H new ATOM 0 HG23 THR A 81 -3.981 -1.814 0.584 1.00 0.40 H new ATOM 636 N SER A 82 -5.421 1.227 4.369 1.00 0.19 N ATOM 637 CA SER A 82 -6.342 2.049 5.114 1.00 0.20 C ATOM 638 C SER A 82 -6.939 3.074 4.168 1.00 0.24 C ATOM 639 O SER A 82 -6.392 4.165 3.989 1.00 0.29 O ATOM 640 CB SER A 82 -5.616 2.734 6.276 1.00 0.25 C ATOM 641 OG SER A 82 -4.575 3.573 5.810 1.00 1.19 O ATOM 0 H SER A 82 -4.471 1.595 4.314 1.00 0.19 H new ATOM 0 HA SER A 82 -7.139 1.437 5.537 1.00 0.20 H new ATOM 0 HB2 SER A 82 -6.327 3.322 6.856 1.00 0.25 H new ATOM 0 HB3 SER A 82 -5.205 1.979 6.946 1.00 0.25 H new ATOM 0 HG SER A 82 -4.953 4.283 5.249 1.00 1.19 H new ATOM 647 N HIS A 83 -8.044 2.726 3.535 1.00 0.24 N ATOM 648 CA HIS A 83 -8.603 3.598 2.530 1.00 0.30 C ATOM 649 C HIS A 83 -10.039 3.968 2.865 1.00 0.29 C ATOM 650 O HIS A 83 -10.767 3.194 3.489 1.00 0.27 O ATOM 651 CB HIS A 83 -8.453 2.986 1.119 1.00 0.33 C ATOM 652 CG HIS A 83 -9.493 1.985 0.714 1.00 0.32 C ATOM 653 ND1 HIS A 83 -9.885 1.776 -0.606 1.00 0.39 N ATOM 654 CD2 HIS A 83 -10.257 1.155 1.465 1.00 0.28 C ATOM 655 CE1 HIS A 83 -10.861 0.857 -0.602 1.00 0.39 C ATOM 656 NE2 HIS A 83 -11.105 0.484 0.617 1.00 0.33 N ATOM 0 H HIS A 83 -8.561 1.862 3.697 1.00 0.24 H new ATOM 0 HA HIS A 83 -8.037 4.529 2.526 1.00 0.30 H new ATOM 0 HB2 HIS A 83 -8.458 3.798 0.392 1.00 0.33 H new ATOM 0 HB3 HIS A 83 -7.475 2.508 1.056 1.00 0.33 H new ATOM 0 HD2 HIS A 83 -10.208 1.041 2.538 1.00 0.28 H new ATOM 0 HE1 HIS A 83 -11.367 0.484 -1.480 1.00 0.39 H new ATOM 0 HE2 HIS A 83 -11.811 -0.196 0.899 1.00 0.33 H new ATOM 664 N GLY A 84 -10.419 5.177 2.484 1.00 0.35 N ATOM 665 CA GLY A 84 -11.730 5.678 2.817 1.00 0.36 C ATOM 666 C GLY A 84 -11.871 5.925 4.296 1.00 0.36 C ATOM 667 O GLY A 84 -11.458 6.964 4.800 1.00 0.42 O ATOM 0 H GLY A 84 -9.838 5.821 1.948 1.00 0.35 H new ATOM 0 HA2 GLY A 84 -11.915 6.605 2.274 1.00 0.36 H new ATOM 0 HA3 GLY A 84 -12.486 4.963 2.493 1.00 0.36 H new ATOM 671 N ASP A 85 -12.437 4.953 4.986 1.00 0.33 N ATOM 672 CA ASP A 85 -12.648 5.043 6.422 1.00 0.36 C ATOM 673 C ASP A 85 -12.097 3.818 7.130 1.00 0.33 C ATOM 674 O ASP A 85 -11.880 3.835 8.340 1.00 0.38 O ATOM 675 CB ASP A 85 -14.145 5.153 6.723 1.00 0.42 C ATOM 676 CG ASP A 85 -14.677 6.567 6.626 1.00 0.89 C ATOM 677 OD1 ASP A 85 -14.557 7.320 7.614 1.00 0.85 O ATOM 678 OD2 ASP A 85 -15.184 6.942 5.546 1.00 1.59 O ATOM 0 H ASP A 85 -12.763 4.081 4.570 1.00 0.33 H new ATOM 0 HA ASP A 85 -12.126 5.929 6.783 1.00 0.36 H new ATOM 0 HB2 ASP A 85 -14.695 4.518 6.029 1.00 0.42 H new ATOM 0 HB3 ASP A 85 -14.335 4.769 7.725 1.00 0.42 H new ATOM 683 N HIS A 86 -11.840 2.766 6.371 1.00 0.29 N ATOM 684 CA HIS A 86 -11.552 1.463 6.953 1.00 0.27 C ATOM 685 C HIS A 86 -10.253 0.873 6.429 1.00 0.23 C ATOM 686 O HIS A 86 -9.507 1.523 5.697 1.00 0.21 O ATOM 687 CB HIS A 86 -12.713 0.507 6.673 1.00 0.29 C ATOM 688 CG HIS A 86 -13.076 0.383 5.221 1.00 0.27 C ATOM 689 ND1 HIS A 86 -14.339 0.670 4.717 1.00 0.30 N ATOM 690 CD2 HIS A 86 -12.333 -0.049 4.165 1.00 0.26 C ATOM 691 CE1 HIS A 86 -14.329 0.401 3.399 1.00 0.30 C ATOM 692 NE2 HIS A 86 -13.150 -0.043 3.047 1.00 0.28 N ATOM 0 H HIS A 86 -11.825 2.787 5.351 1.00 0.29 H new ATOM 0 HA HIS A 86 -11.434 1.600 8.028 1.00 0.27 H new ATOM 0 HB2 HIS A 86 -12.456 -0.480 7.057 1.00 0.29 H new ATOM 0 HB3 HIS A 86 -13.589 0.846 7.227 1.00 0.29 H new ATOM 0 HD1 HIS A 86 -15.133 1.022 5.252 1.00 0.30 H new ATOM 0 HD2 HIS A 86 -11.294 -0.343 4.194 1.00 0.26 H new ATOM 0 HE1 HIS A 86 -15.168 0.532 2.732 1.00 0.30 H new ATOM 700 N TYR A 87 -9.978 -0.355 6.845 1.00 0.24 N ATOM 701 CA TYR A 87 -8.845 -1.101 6.334 1.00 0.22 C ATOM 702 C TYR A 87 -9.348 -2.156 5.366 1.00 0.22 C ATOM 703 O TYR A 87 -10.271 -2.908 5.684 1.00 0.26 O ATOM 704 CB TYR A 87 -8.067 -1.769 7.475 1.00 0.25 C ATOM 705 CG TYR A 87 -7.589 -0.804 8.535 1.00 0.29 C ATOM 706 CD1 TYR A 87 -7.187 0.472 8.193 1.00 0.27 C ATOM 707 CD2 TYR A 87 -7.544 -1.168 9.874 1.00 0.38 C ATOM 708 CE1 TYR A 87 -6.754 1.366 9.143 1.00 0.32 C ATOM 709 CE2 TYR A 87 -7.108 -0.277 10.838 1.00 0.43 C ATOM 710 CZ TYR A 87 -6.714 0.989 10.466 1.00 0.40 C ATOM 711 OH TYR A 87 -6.281 1.883 11.418 1.00 0.46 O ATOM 0 H TYR A 87 -10.531 -0.856 7.541 1.00 0.24 H new ATOM 0 HA TYR A 87 -8.170 -0.415 5.823 1.00 0.22 H new ATOM 0 HB2 TYR A 87 -8.701 -2.522 7.942 1.00 0.25 H new ATOM 0 HB3 TYR A 87 -7.206 -2.291 7.058 1.00 0.25 H new ATOM 0 HD1 TYR A 87 -7.213 0.774 7.156 1.00 0.27 H new ATOM 0 HD2 TYR A 87 -7.854 -2.160 10.167 1.00 0.38 H new ATOM 0 HE1 TYR A 87 -6.447 2.360 8.853 1.00 0.32 H new ATOM 0 HE2 TYR A 87 -7.077 -0.572 11.876 1.00 0.43 H new ATOM 0 HH TYR A 87 -6.314 1.461 12.302 1.00 0.46 H new ATOM 721 N HIS A 88 -8.752 -2.214 4.193 1.00 0.21 N ATOM 722 CA HIS A 88 -9.176 -3.158 3.186 1.00 0.25 C ATOM 723 C HIS A 88 -7.995 -4.002 2.719 1.00 0.26 C ATOM 724 O HIS A 88 -6.987 -3.483 2.232 1.00 0.28 O ATOM 725 CB HIS A 88 -9.837 -2.432 2.010 1.00 0.29 C ATOM 726 CG HIS A 88 -11.008 -3.186 1.471 1.00 0.35 C ATOM 727 ND1 HIS A 88 -12.203 -2.592 1.160 1.00 0.38 N ATOM 728 CD2 HIS A 88 -11.136 -4.520 1.233 1.00 0.43 C ATOM 729 CE1 HIS A 88 -13.029 -3.529 0.762 1.00 0.47 C ATOM 730 NE2 HIS A 88 -12.426 -4.731 0.788 1.00 0.51 N ATOM 0 H HIS A 88 -7.973 -1.617 3.916 1.00 0.21 H new ATOM 0 HA HIS A 88 -9.917 -3.826 3.624 1.00 0.25 H new ATOM 0 HB2 HIS A 88 -10.161 -1.442 2.331 1.00 0.29 H new ATOM 0 HB3 HIS A 88 -9.104 -2.286 1.217 1.00 0.29 H new ATOM 0 HD2 HIS A 88 -10.372 -5.272 1.367 1.00 0.43 H new ATOM 0 HE1 HIS A 88 -14.051 -3.359 0.456 1.00 0.47 H new ATOM 0 HE2 HIS A 88 -12.841 -5.626 0.529 1.00 0.51 H new ATOM 738 N TYR A 89 -8.129 -5.303 2.905 1.00 0.28 N ATOM 739 CA TYR A 89 -7.077 -6.261 2.597 1.00 0.31 C ATOM 740 C TYR A 89 -7.294 -6.840 1.198 1.00 0.36 C ATOM 741 O TYR A 89 -8.425 -7.156 0.830 1.00 0.44 O ATOM 742 CB TYR A 89 -7.136 -7.380 3.649 1.00 0.45 C ATOM 743 CG TYR A 89 -5.873 -8.202 3.816 1.00 0.45 C ATOM 744 CD1 TYR A 89 -4.985 -8.396 2.772 1.00 0.45 C ATOM 745 CD2 TYR A 89 -5.586 -8.803 5.034 1.00 0.59 C ATOM 746 CE1 TYR A 89 -3.850 -9.156 2.927 1.00 0.50 C ATOM 747 CE2 TYR A 89 -4.447 -9.564 5.203 1.00 0.62 C ATOM 748 CZ TYR A 89 -3.580 -9.739 4.146 1.00 0.53 C ATOM 749 OH TYR A 89 -2.444 -10.502 4.308 1.00 0.60 O ATOM 0 H TYR A 89 -8.977 -5.730 3.277 1.00 0.28 H new ATOM 0 HA TYR A 89 -6.101 -5.776 2.617 1.00 0.31 H new ATOM 0 HB2 TYR A 89 -7.385 -6.934 4.612 1.00 0.45 H new ATOM 0 HB3 TYR A 89 -7.953 -8.054 3.389 1.00 0.45 H new ATOM 0 HD1 TYR A 89 -5.188 -7.940 1.814 1.00 0.45 H new ATOM 0 HD2 TYR A 89 -6.265 -8.673 5.863 1.00 0.59 H new ATOM 0 HE1 TYR A 89 -3.173 -9.295 2.097 1.00 0.50 H new ATOM 0 HE2 TYR A 89 -4.236 -10.020 6.159 1.00 0.62 H new ATOM 0 HH TYR A 89 -1.678 -10.037 3.911 1.00 0.60 H new ATOM 759 N TYR A 90 -6.226 -6.965 0.414 1.00 0.45 N ATOM 760 CA TYR A 90 -6.313 -7.654 -0.867 1.00 0.69 C ATOM 761 C TYR A 90 -4.968 -8.200 -1.323 1.00 0.55 C ATOM 762 O TYR A 90 -3.923 -7.874 -0.762 1.00 0.47 O ATOM 763 CB TYR A 90 -6.905 -6.762 -1.955 1.00 1.04 C ATOM 764 CG TYR A 90 -6.292 -5.395 -2.088 1.00 0.95 C ATOM 765 CD1 TYR A 90 -4.984 -5.217 -2.520 1.00 1.70 C ATOM 766 CD2 TYR A 90 -7.049 -4.277 -1.808 1.00 1.32 C ATOM 767 CE1 TYR A 90 -4.451 -3.951 -2.663 1.00 2.40 C ATOM 768 CE2 TYR A 90 -6.531 -3.017 -1.944 1.00 2.07 C ATOM 769 CZ TYR A 90 -5.229 -2.852 -2.374 1.00 2.47 C ATOM 770 OH TYR A 90 -4.707 -1.589 -2.519 1.00 3.42 O ATOM 0 H TYR A 90 -5.300 -6.602 0.641 1.00 0.45 H new ATOM 0 HA TYR A 90 -6.984 -8.497 -0.706 1.00 0.69 H new ATOM 0 HB2 TYR A 90 -6.810 -7.276 -2.911 1.00 1.04 H new ATOM 0 HB3 TYR A 90 -7.971 -6.644 -1.761 1.00 1.04 H new ATOM 0 HD1 TYR A 90 -4.376 -6.080 -2.747 1.00 1.70 H new ATOM 0 HD2 TYR A 90 -8.069 -4.398 -1.475 1.00 1.32 H new ATOM 0 HE1 TYR A 90 -3.432 -3.824 -2.999 1.00 2.40 H new ATOM 0 HE2 TYR A 90 -7.139 -2.154 -1.716 1.00 2.07 H new ATOM 0 HH TYR A 90 -3.884 -1.634 -3.049 1.00 3.42 H new ATOM 780 N ASN A 91 -5.022 -9.036 -2.349 1.00 0.67 N ATOM 781 CA ASN A 91 -3.836 -9.617 -2.954 1.00 0.59 C ATOM 782 C ASN A 91 -3.602 -8.959 -4.305 1.00 0.49 C ATOM 783 O ASN A 91 -4.511 -8.351 -4.864 1.00 0.69 O ATOM 784 CB ASN A 91 -4.022 -11.132 -3.122 1.00 0.85 C ATOM 785 CG ASN A 91 -2.834 -11.822 -3.773 1.00 1.27 C ATOM 786 OD1 ASN A 91 -2.778 -11.963 -4.995 1.00 1.58 O ATOM 787 ND2 ASN A 91 -1.882 -12.264 -2.969 1.00 2.04 N ATOM 0 H ASN A 91 -5.895 -9.331 -2.786 1.00 0.67 H new ATOM 0 HA ASN A 91 -2.971 -9.447 -2.313 1.00 0.59 H new ATOM 0 HB2 ASN A 91 -4.200 -11.579 -2.144 1.00 0.85 H new ATOM 0 HB3 ASN A 91 -4.913 -11.316 -3.723 1.00 0.85 H new ATOM 0 HD21 ASN A 91 -1.067 -12.740 -3.357 1.00 2.04 H new ATOM 0 HD22 ASN A 91 -1.962 -12.129 -1.961 1.00 2.04 H new ATOM 794 N GLY A 92 -2.394 -9.067 -4.820 1.00 0.40 N ATOM 795 CA GLY A 92 -2.083 -8.467 -6.098 1.00 0.41 C ATOM 796 C GLY A 92 -0.853 -7.603 -6.023 1.00 0.33 C ATOM 797 O GLY A 92 0.110 -7.953 -5.341 1.00 0.47 O ATOM 0 H GLY A 92 -1.619 -9.560 -4.377 1.00 0.40 H new ATOM 0 HA2 GLY A 92 -1.933 -9.250 -6.841 1.00 0.41 H new ATOM 0 HA3 GLY A 92 -2.929 -7.867 -6.434 1.00 0.41 H new ATOM 801 N LYS A 93 -0.875 -6.494 -6.741 1.00 0.40 N ATOM 802 CA LYS A 93 0.224 -5.541 -6.730 1.00 0.35 C ATOM 803 C LYS A 93 -0.281 -4.135 -6.426 1.00 0.35 C ATOM 804 O LYS A 93 -1.339 -3.728 -6.912 1.00 0.47 O ATOM 805 CB LYS A 93 0.932 -5.571 -8.081 1.00 0.36 C ATOM 806 CG LYS A 93 1.499 -6.937 -8.415 1.00 0.39 C ATOM 807 CD LYS A 93 2.949 -7.071 -7.974 1.00 0.63 C ATOM 808 CE LYS A 93 3.899 -6.521 -9.012 1.00 1.42 C ATOM 809 NZ LYS A 93 3.976 -7.384 -10.218 1.00 2.03 N ATOM 0 H LYS A 93 -1.652 -6.228 -7.346 1.00 0.40 H new ATOM 0 HA LYS A 93 0.928 -5.821 -5.946 1.00 0.35 H new ATOM 0 HB2 LYS A 93 0.231 -5.273 -8.861 1.00 0.36 H new ATOM 0 HB3 LYS A 93 1.739 -4.838 -8.080 1.00 0.36 H new ATOM 0 HG2 LYS A 93 0.899 -7.708 -7.931 1.00 0.39 H new ATOM 0 HG3 LYS A 93 1.429 -7.107 -9.489 1.00 0.39 H new ATOM 0 HD2 LYS A 93 3.094 -6.543 -7.031 1.00 0.63 H new ATOM 0 HD3 LYS A 93 3.178 -8.121 -7.790 1.00 0.63 H new ATOM 0 HE2 LYS A 93 3.577 -5.521 -9.303 1.00 1.42 H new ATOM 0 HE3 LYS A 93 4.893 -6.421 -8.575 1.00 1.42 H new ATOM 0 HZ1 LYS A 93 4.826 -7.141 -10.765 1.00 2.03 H new ATOM 0 HZ2 LYS A 93 4.024 -8.382 -9.928 1.00 2.03 H new ATOM 0 HZ3 LYS A 93 3.132 -7.235 -10.806 1.00 2.03 H new ATOM 823 N VAL A 94 0.471 -3.412 -5.598 1.00 0.31 N ATOM 824 CA VAL A 94 0.157 -2.022 -5.276 1.00 0.29 C ATOM 825 C VAL A 94 0.125 -1.200 -6.558 1.00 0.28 C ATOM 826 O VAL A 94 1.060 -1.266 -7.352 1.00 0.30 O ATOM 827 CB VAL A 94 1.210 -1.403 -4.319 1.00 0.29 C ATOM 828 CG1 VAL A 94 0.806 0.004 -3.917 1.00 0.32 C ATOM 829 CG2 VAL A 94 1.415 -2.262 -3.082 1.00 0.41 C ATOM 0 H VAL A 94 1.307 -3.769 -5.136 1.00 0.31 H new ATOM 0 HA VAL A 94 -0.814 -2.008 -4.781 1.00 0.29 H new ATOM 0 HB VAL A 94 2.156 -1.360 -4.859 1.00 0.29 H new ATOM 0 HG11 VAL A 94 1.557 0.421 -3.246 1.00 0.32 H new ATOM 0 HG12 VAL A 94 0.728 0.628 -4.807 1.00 0.32 H new ATOM 0 HG13 VAL A 94 -0.158 -0.025 -3.409 1.00 0.32 H new ATOM 0 HG21 VAL A 94 2.159 -1.797 -2.435 1.00 0.41 H new ATOM 0 HG22 VAL A 94 0.472 -2.354 -2.543 1.00 0.41 H new ATOM 0 HG23 VAL A 94 1.761 -3.252 -3.380 1.00 0.41 H new ATOM 839 N PRO A 95 -0.950 -0.436 -6.803 1.00 0.27 N ATOM 840 CA PRO A 95 -1.054 0.360 -8.014 1.00 0.28 C ATOM 841 C PRO A 95 -0.049 1.495 -8.034 1.00 0.25 C ATOM 842 O PRO A 95 0.396 1.948 -6.978 1.00 0.27 O ATOM 843 CB PRO A 95 -2.474 0.909 -8.000 1.00 0.33 C ATOM 844 CG PRO A 95 -2.942 0.800 -6.596 1.00 0.33 C ATOM 845 CD PRO A 95 -2.121 -0.278 -5.928 1.00 0.30 C ATOM 0 HA PRO A 95 -0.842 -0.239 -8.900 1.00 0.28 H new ATOM 0 HB2 PRO A 95 -2.495 1.945 -8.339 1.00 0.33 H new ATOM 0 HB3 PRO A 95 -3.118 0.341 -8.671 1.00 0.33 H new ATOM 0 HG2 PRO A 95 -2.822 1.751 -6.077 1.00 0.33 H new ATOM 0 HG3 PRO A 95 -4.003 0.550 -6.563 1.00 0.33 H new ATOM 0 HD2 PRO A 95 -1.828 0.013 -4.919 1.00 0.30 H new ATOM 0 HD3 PRO A 95 -2.681 -1.209 -5.841 1.00 0.30 H new ATOM 853 N TYR A 96 0.307 1.942 -9.218 1.00 0.26 N ATOM 854 CA TYR A 96 1.341 2.954 -9.377 1.00 0.27 C ATOM 855 C TYR A 96 1.034 4.179 -8.517 1.00 0.26 C ATOM 856 O TYR A 96 1.900 4.669 -7.789 1.00 0.30 O ATOM 857 CB TYR A 96 1.442 3.350 -10.853 1.00 0.33 C ATOM 858 CG TYR A 96 2.787 3.908 -11.263 1.00 0.38 C ATOM 859 CD1 TYR A 96 3.392 4.932 -10.550 1.00 0.30 C ATOM 860 CD2 TYR A 96 3.444 3.415 -12.382 1.00 0.61 C ATOM 861 CE1 TYR A 96 4.609 5.450 -10.936 1.00 0.35 C ATOM 862 CE2 TYR A 96 4.665 3.924 -12.773 1.00 0.68 C ATOM 863 CZ TYR A 96 5.243 4.942 -12.049 1.00 0.51 C ATOM 864 OH TYR A 96 6.452 5.460 -12.450 1.00 0.59 O ATOM 0 H TYR A 96 -0.105 1.621 -10.094 1.00 0.26 H new ATOM 0 HA TYR A 96 2.295 2.542 -9.048 1.00 0.27 H new ATOM 0 HB2 TYR A 96 1.223 2.476 -11.466 1.00 0.33 H new ATOM 0 HB3 TYR A 96 0.674 4.092 -11.070 1.00 0.33 H new ATOM 0 HD1 TYR A 96 2.900 5.331 -9.675 1.00 0.30 H new ATOM 0 HD2 TYR A 96 2.992 2.620 -12.956 1.00 0.61 H new ATOM 0 HE1 TYR A 96 5.063 6.249 -10.370 1.00 0.35 H new ATOM 0 HE2 TYR A 96 5.165 3.526 -13.643 1.00 0.68 H new ATOM 0 HH TYR A 96 7.146 4.773 -12.366 1.00 0.59 H new ATOM 874 N ASP A 97 -0.210 4.636 -8.564 1.00 0.28 N ATOM 875 CA ASP A 97 -0.581 5.873 -7.888 1.00 0.33 C ATOM 876 C ASP A 97 -1.187 5.609 -6.505 1.00 0.32 C ATOM 877 O ASP A 97 -1.878 6.458 -5.944 1.00 0.38 O ATOM 878 CB ASP A 97 -1.546 6.672 -8.752 1.00 0.43 C ATOM 879 CG ASP A 97 -1.749 8.095 -8.258 1.00 1.07 C ATOM 880 OD1 ASP A 97 -0.799 8.900 -8.340 1.00 1.82 O ATOM 881 OD2 ASP A 97 -2.864 8.422 -7.803 1.00 1.07 O ATOM 0 H ASP A 97 -0.974 4.174 -9.058 1.00 0.28 H new ATOM 0 HA ASP A 97 0.328 6.455 -7.736 1.00 0.33 H new ATOM 0 HB2 ASP A 97 -1.172 6.699 -9.775 1.00 0.43 H new ATOM 0 HB3 ASP A 97 -2.509 6.162 -8.778 1.00 0.43 H new ATOM 886 N ALA A 98 -0.936 4.426 -5.956 1.00 0.27 N ATOM 887 CA ALA A 98 -1.376 4.115 -4.599 1.00 0.27 C ATOM 888 C ALA A 98 -0.640 4.967 -3.582 1.00 0.26 C ATOM 889 O ALA A 98 0.384 5.576 -3.889 1.00 0.40 O ATOM 890 CB ALA A 98 -1.155 2.652 -4.273 1.00 0.30 C ATOM 0 H ALA A 98 -0.434 3.671 -6.424 1.00 0.27 H new ATOM 0 HA ALA A 98 -2.443 4.334 -4.549 1.00 0.27 H new ATOM 0 HB1 ALA A 98 -1.492 2.451 -3.256 1.00 0.30 H new ATOM 0 HB2 ALA A 98 -1.720 2.034 -4.971 1.00 0.30 H new ATOM 0 HB3 ALA A 98 -0.094 2.417 -4.357 1.00 0.30 H new ATOM 896 N ILE A 99 -1.187 5.015 -2.380 1.00 0.18 N ATOM 897 CA ILE A 99 -0.577 5.725 -1.276 1.00 0.17 C ATOM 898 C ILE A 99 -0.113 4.723 -0.217 1.00 0.16 C ATOM 899 O ILE A 99 -0.754 3.695 -0.014 1.00 0.16 O ATOM 900 CB ILE A 99 -1.589 6.708 -0.665 1.00 0.21 C ATOM 901 CG1 ILE A 99 -2.225 7.557 -1.767 1.00 0.21 C ATOM 902 CG2 ILE A 99 -0.933 7.594 0.377 1.00 0.26 C ATOM 903 CD1 ILE A 99 -1.240 8.357 -2.589 1.00 0.29 C ATOM 0 H ILE A 99 -2.069 4.561 -2.144 1.00 0.18 H new ATOM 0 HA ILE A 99 0.284 6.286 -1.639 1.00 0.17 H new ATOM 0 HB ILE A 99 -2.368 6.131 -0.167 1.00 0.21 H new ATOM 0 HG12 ILE A 99 -2.788 6.903 -2.433 1.00 0.21 H new ATOM 0 HG13 ILE A 99 -2.941 8.242 -1.313 1.00 0.21 H new ATOM 0 HG21 ILE A 99 -1.674 8.278 0.791 1.00 0.26 H new ATOM 0 HG22 ILE A 99 -0.524 6.975 1.176 1.00 0.26 H new ATOM 0 HG23 ILE A 99 -0.129 8.166 -0.086 1.00 0.26 H new ATOM 0 HD11 ILE A 99 -1.777 8.929 -3.346 1.00 0.29 H new ATOM 0 HD12 ILE A 99 -0.693 9.040 -1.939 1.00 0.29 H new ATOM 0 HD13 ILE A 99 -0.538 7.680 -3.076 1.00 0.29 H new ATOM 915 N ILE A 100 1.009 4.995 0.428 1.00 0.17 N ATOM 916 CA ILE A 100 1.549 4.090 1.433 1.00 0.18 C ATOM 917 C ILE A 100 1.619 4.767 2.804 1.00 0.18 C ATOM 918 O ILE A 100 1.755 5.986 2.901 1.00 0.20 O ATOM 919 CB ILE A 100 2.965 3.620 1.043 1.00 0.20 C ATOM 920 CG1 ILE A 100 2.976 3.042 -0.376 1.00 0.21 C ATOM 921 CG2 ILE A 100 3.478 2.590 2.040 1.00 0.22 C ATOM 922 CD1 ILE A 100 2.293 1.696 -0.503 1.00 0.23 C ATOM 0 H ILE A 100 1.565 5.836 0.275 1.00 0.17 H new ATOM 0 HA ILE A 100 0.879 3.232 1.486 1.00 0.18 H new ATOM 0 HB ILE A 100 3.628 4.485 1.064 1.00 0.20 H new ATOM 0 HG12 ILE A 100 2.489 3.749 -1.048 1.00 0.21 H new ATOM 0 HG13 ILE A 100 4.009 2.945 -0.709 1.00 0.21 H new ATOM 0 HG21 ILE A 100 4.478 2.269 1.749 1.00 0.22 H new ATOM 0 HG22 ILE A 100 3.514 3.033 3.035 1.00 0.22 H new ATOM 0 HG23 ILE A 100 2.810 1.729 2.050 1.00 0.22 H new ATOM 0 HD11 ILE A 100 2.345 1.358 -1.538 1.00 0.23 H new ATOM 0 HD12 ILE A 100 2.793 0.972 0.141 1.00 0.23 H new ATOM 0 HD13 ILE A 100 1.249 1.788 -0.203 1.00 0.23 H new ATOM 934 N SER A 101 1.508 3.964 3.853 1.00 0.20 N ATOM 935 CA SER A 101 1.699 4.431 5.217 1.00 0.20 C ATOM 936 C SER A 101 3.185 4.622 5.505 1.00 0.20 C ATOM 937 O SER A 101 4.028 3.867 5.013 1.00 0.23 O ATOM 938 CB SER A 101 1.117 3.411 6.195 1.00 0.22 C ATOM 939 OG SER A 101 1.413 3.756 7.541 1.00 0.89 O ATOM 0 H SER A 101 1.283 2.972 3.782 1.00 0.20 H new ATOM 0 HA SER A 101 1.188 5.386 5.338 1.00 0.20 H new ATOM 0 HB2 SER A 101 0.037 3.352 6.062 1.00 0.22 H new ATOM 0 HB3 SER A 101 1.519 2.422 5.974 1.00 0.22 H new ATOM 0 HG SER A 101 0.697 3.432 8.127 1.00 0.89 H new ATOM 945 N GLU A 102 3.493 5.624 6.325 1.00 0.20 N ATOM 946 CA GLU A 102 4.868 5.921 6.705 1.00 0.21 C ATOM 947 C GLU A 102 5.475 4.762 7.488 1.00 0.24 C ATOM 948 O GLU A 102 6.694 4.646 7.598 1.00 0.29 O ATOM 949 CB GLU A 102 4.922 7.230 7.511 1.00 0.25 C ATOM 950 CG GLU A 102 4.351 7.144 8.927 1.00 0.31 C ATOM 951 CD GLU A 102 5.398 6.885 9.994 1.00 0.94 C ATOM 952 OE1 GLU A 102 6.006 7.851 10.499 1.00 1.22 O ATOM 953 OE2 GLU A 102 5.638 5.699 10.316 1.00 1.71 O ATOM 0 H GLU A 102 2.801 6.247 6.741 1.00 0.20 H new ATOM 0 HA GLU A 102 5.462 6.053 5.801 1.00 0.21 H new ATOM 0 HB2 GLU A 102 5.960 7.557 7.574 1.00 0.25 H new ATOM 0 HB3 GLU A 102 4.378 7.999 6.963 1.00 0.25 H new ATOM 0 HG2 GLU A 102 3.833 8.075 9.157 1.00 0.31 H new ATOM 0 HG3 GLU A 102 3.606 6.349 8.961 1.00 0.31 H new ATOM 960 N GLU A 103 4.606 3.896 8.005 1.00 0.27 N ATOM 961 CA GLU A 103 5.026 2.717 8.753 1.00 0.34 C ATOM 962 C GLU A 103 5.792 1.747 7.864 1.00 0.31 C ATOM 963 O GLU A 103 6.552 0.909 8.345 1.00 0.41 O ATOM 964 CB GLU A 103 3.811 1.994 9.308 1.00 0.43 C ATOM 965 CG GLU A 103 2.962 2.820 10.245 1.00 0.67 C ATOM 966 CD GLU A 103 1.685 2.103 10.616 1.00 1.15 C ATOM 967 OE1 GLU A 103 0.706 2.184 9.843 1.00 1.42 O ATOM 968 OE2 GLU A 103 1.649 1.465 11.688 1.00 1.48 O ATOM 0 H GLU A 103 3.594 3.993 7.917 1.00 0.27 H new ATOM 0 HA GLU A 103 5.673 3.054 9.563 1.00 0.34 H new ATOM 0 HB2 GLU A 103 3.191 1.661 8.476 1.00 0.43 H new ATOM 0 HB3 GLU A 103 4.145 1.100 9.834 1.00 0.43 H new ATOM 0 HG2 GLU A 103 3.529 3.045 11.148 1.00 0.67 H new ATOM 0 HG3 GLU A 103 2.721 3.773 9.774 1.00 0.67 H new ATOM 975 N LEU A 104 5.567 1.854 6.567 1.00 0.23 N ATOM 976 CA LEU A 104 6.143 0.918 5.616 1.00 0.25 C ATOM 977 C LEU A 104 7.324 1.519 4.878 1.00 0.27 C ATOM 978 O LEU A 104 7.887 0.886 3.988 1.00 0.29 O ATOM 979 CB LEU A 104 5.081 0.472 4.622 1.00 0.27 C ATOM 980 CG LEU A 104 3.955 -0.351 5.226 1.00 0.28 C ATOM 981 CD1 LEU A 104 2.848 -0.550 4.212 1.00 0.33 C ATOM 982 CD2 LEU A 104 4.489 -1.687 5.703 1.00 0.30 C ATOM 0 H LEU A 104 4.988 2.581 6.146 1.00 0.23 H new ATOM 0 HA LEU A 104 6.507 0.057 6.176 1.00 0.25 H new ATOM 0 HB2 LEU A 104 4.654 1.355 4.147 1.00 0.27 H new ATOM 0 HB3 LEU A 104 5.560 -0.113 3.837 1.00 0.27 H new ATOM 0 HG LEU A 104 3.543 0.185 6.081 1.00 0.28 H new ATOM 0 HD11 LEU A 104 2.048 -1.141 4.658 1.00 0.33 H new ATOM 0 HD12 LEU A 104 2.456 0.420 3.907 1.00 0.33 H new ATOM 0 HD13 LEU A 104 3.243 -1.072 3.340 1.00 0.33 H new ATOM 0 HD21 LEU A 104 3.676 -2.271 6.135 1.00 0.30 H new ATOM 0 HD22 LEU A 104 4.918 -2.229 4.860 1.00 0.30 H new ATOM 0 HD23 LEU A 104 5.258 -1.523 6.458 1.00 0.30 H new ATOM 994 N LEU A 105 7.700 2.735 5.239 1.00 0.43 N ATOM 995 CA LEU A 105 8.834 3.374 4.619 1.00 0.54 C ATOM 996 C LEU A 105 10.103 2.593 4.861 1.00 0.46 C ATOM 997 O LEU A 105 10.342 2.070 5.952 1.00 0.53 O ATOM 998 CB LEU A 105 8.996 4.795 5.127 1.00 0.88 C ATOM 999 CG LEU A 105 8.111 5.813 4.435 1.00 0.30 C ATOM 1000 CD1 LEU A 105 8.419 7.207 4.937 1.00 1.01 C ATOM 1001 CD2 LEU A 105 8.327 5.725 2.940 1.00 1.09 C ATOM 0 H LEU A 105 7.235 3.292 5.956 1.00 0.43 H new ATOM 0 HA LEU A 105 8.647 3.402 3.545 1.00 0.54 H new ATOM 0 HB2 LEU A 105 8.782 4.812 6.196 1.00 0.88 H new ATOM 0 HB3 LEU A 105 10.037 5.095 5.006 1.00 0.88 H new ATOM 0 HG LEU A 105 7.066 5.598 4.660 1.00 0.30 H new ATOM 0 HD11 LEU A 105 7.775 7.926 4.431 1.00 1.01 H new ATOM 0 HD12 LEU A 105 8.241 7.254 6.011 1.00 1.01 H new ATOM 0 HD13 LEU A 105 9.462 7.446 4.731 1.00 1.01 H new ATOM 0 HD21 LEU A 105 7.693 6.455 2.437 1.00 1.09 H new ATOM 0 HD22 LEU A 105 9.372 5.933 2.711 1.00 1.09 H new ATOM 0 HD23 LEU A 105 8.072 4.723 2.594 1.00 1.09 H new ATOM 1013 N MET A 106 10.901 2.516 3.821 1.00 0.41 N ATOM 1014 CA MET A 106 12.178 1.850 3.884 1.00 0.45 C ATOM 1015 C MET A 106 13.131 2.614 4.788 1.00 0.92 C ATOM 1016 O MET A 106 13.049 3.836 4.924 1.00 1.28 O ATOM 1017 CB MET A 106 12.778 1.701 2.481 1.00 0.27 C ATOM 1018 CG MET A 106 14.219 1.216 2.492 1.00 0.30 C ATOM 1019 SD MET A 106 14.421 -0.280 3.481 1.00 1.05 S ATOM 1020 CE MET A 106 14.948 -1.423 2.228 1.00 0.50 C ATOM 0 H MET A 106 10.681 2.914 2.908 1.00 0.41 H new ATOM 0 HA MET A 106 12.026 0.855 4.301 1.00 0.45 H new ATOM 0 HB2 MET A 106 12.171 1.002 1.906 1.00 0.27 H new ATOM 0 HB3 MET A 106 12.729 2.662 1.968 1.00 0.27 H new ATOM 0 HG2 MET A 106 14.544 1.022 1.470 1.00 0.30 H new ATOM 0 HG3 MET A 106 14.863 2.002 2.887 1.00 0.30 H new ATOM 0 HE1 MET A 106 14.407 -2.362 2.341 1.00 0.50 H new ATOM 0 HE2 MET A 106 14.744 -1.003 1.243 1.00 0.50 H new ATOM 0 HE3 MET A 106 16.018 -1.606 2.329 1.00 0.50 H new ATOM 1092 N TYR A 111 20.371 2.963 2.031 1.00 0.95 N ATOM 1093 CA TYR A 111 19.959 1.753 1.344 1.00 0.70 C ATOM 1094 C TYR A 111 19.734 2.070 -0.119 1.00 0.60 C ATOM 1095 O TYR A 111 19.166 3.108 -0.463 1.00 0.80 O ATOM 1096 CB TYR A 111 18.663 1.182 1.930 1.00 0.70 C ATOM 1097 CG TYR A 111 18.193 -0.066 1.215 1.00 0.76 C ATOM 1098 CD1 TYR A 111 18.662 -1.324 1.572 1.00 0.94 C ATOM 1099 CD2 TYR A 111 17.270 0.023 0.182 1.00 0.89 C ATOM 1100 CE1 TYR A 111 18.228 -2.459 0.911 1.00 1.18 C ATOM 1101 CE2 TYR A 111 16.830 -1.107 -0.481 1.00 1.12 C ATOM 1102 CZ TYR A 111 17.313 -2.343 -0.115 1.00 1.23 C ATOM 1103 OH TYR A 111 16.885 -3.464 -0.786 1.00 1.57 O ATOM 0 HA TYR A 111 20.746 1.009 1.467 1.00 0.70 H new ATOM 0 HB2 TYR A 111 18.817 0.954 2.985 1.00 0.70 H new ATOM 0 HB3 TYR A 111 17.882 1.940 1.878 1.00 0.70 H new ATOM 0 HD1 TYR A 111 19.376 -1.417 2.377 1.00 0.94 H new ATOM 0 HD2 TYR A 111 16.889 0.991 -0.108 1.00 0.89 H new ATOM 0 HE1 TYR A 111 18.603 -3.431 1.197 1.00 1.18 H new ATOM 0 HE2 TYR A 111 16.111 -1.021 -1.282 1.00 1.12 H new ATOM 0 HH TYR A 111 16.241 -3.205 -1.478 1.00 1.57 H new ATOM 1113 N GLN A 112 20.166 1.177 -0.973 1.00 0.53 N ATOM 1114 CA GLN A 112 19.991 1.362 -2.387 1.00 0.55 C ATOM 1115 C GLN A 112 18.946 0.406 -2.917 1.00 0.45 C ATOM 1116 O GLN A 112 19.005 -0.797 -2.658 1.00 0.47 O ATOM 1117 CB GLN A 112 21.317 1.156 -3.092 1.00 0.70 C ATOM 1118 CG GLN A 112 22.387 2.139 -2.670 1.00 1.30 C ATOM 1119 CD GLN A 112 23.752 1.764 -3.203 1.00 1.42 C ATOM 1120 OE1 GLN A 112 24.493 1.016 -2.563 1.00 1.64 O ATOM 1121 NE2 GLN A 112 24.097 2.282 -4.369 1.00 2.05 N ATOM 0 H GLN A 112 20.642 0.314 -0.711 1.00 0.53 H new ATOM 0 HA GLN A 112 19.645 2.378 -2.578 1.00 0.55 H new ATOM 0 HB2 GLN A 112 21.669 0.143 -2.897 1.00 0.70 H new ATOM 0 HB3 GLN A 112 21.164 1.239 -4.168 1.00 0.70 H new ATOM 0 HG2 GLN A 112 22.122 3.135 -3.024 1.00 1.30 H new ATOM 0 HG3 GLN A 112 22.425 2.187 -1.582 1.00 1.30 H new ATOM 0 HE21 GLN A 112 23.452 2.897 -4.865 1.00 2.05 H new ATOM 0 HE22 GLN A 112 25.009 2.067 -4.773 1.00 2.05 H new ATOM 1130 N LEU A 113 17.993 0.961 -3.648 1.00 0.40 N ATOM 1131 CA LEU A 113 16.877 0.209 -4.182 1.00 0.33 C ATOM 1132 C LEU A 113 17.365 -0.959 -5.031 1.00 0.36 C ATOM 1133 O LEU A 113 17.964 -0.768 -6.091 1.00 0.43 O ATOM 1134 CB LEU A 113 16.000 1.146 -5.005 1.00 0.32 C ATOM 1135 CG LEU A 113 14.814 0.493 -5.700 1.00 0.30 C ATOM 1136 CD1 LEU A 113 13.773 0.071 -4.680 1.00 0.25 C ATOM 1137 CD2 LEU A 113 14.219 1.444 -6.719 1.00 0.35 C ATOM 0 H LEU A 113 17.975 1.952 -3.887 1.00 0.40 H new ATOM 0 HA LEU A 113 16.294 -0.206 -3.360 1.00 0.33 H new ATOM 0 HB2 LEU A 113 15.627 1.934 -4.351 1.00 0.32 H new ATOM 0 HB3 LEU A 113 16.622 1.627 -5.760 1.00 0.32 H new ATOM 0 HG LEU A 113 15.157 -0.399 -6.223 1.00 0.30 H new ATOM 0 HD11 LEU A 113 12.930 -0.395 -5.191 1.00 0.25 H new ATOM 0 HD12 LEU A 113 14.214 -0.642 -3.984 1.00 0.25 H new ATOM 0 HD13 LEU A 113 13.426 0.946 -4.131 1.00 0.25 H new ATOM 0 HD21 LEU A 113 13.371 0.967 -7.210 1.00 0.35 H new ATOM 0 HD22 LEU A 113 13.884 2.352 -6.217 1.00 0.35 H new ATOM 0 HD23 LEU A 113 14.974 1.698 -7.463 1.00 0.35 H new ATOM 1149 N LYS A 114 17.119 -2.165 -4.546 1.00 0.40 N ATOM 1150 CA LYS A 114 17.582 -3.365 -5.219 1.00 0.47 C ATOM 1151 C LYS A 114 16.615 -3.760 -6.310 1.00 0.37 C ATOM 1152 O LYS A 114 15.460 -4.079 -6.031 1.00 0.33 O ATOM 1153 CB LYS A 114 17.698 -4.522 -4.234 1.00 0.63 C ATOM 1154 CG LYS A 114 18.885 -5.428 -4.486 1.00 0.90 C ATOM 1155 CD LYS A 114 20.187 -4.648 -4.495 1.00 1.14 C ATOM 1156 CE LYS A 114 21.391 -5.569 -4.563 1.00 1.51 C ATOM 1157 NZ LYS A 114 21.519 -6.403 -3.340 1.00 2.09 N ATOM 0 H LYS A 114 16.599 -2.338 -3.686 1.00 0.40 H new ATOM 0 HA LYS A 114 18.560 -3.150 -5.649 1.00 0.47 H new ATOM 0 HB2 LYS A 114 17.769 -4.120 -3.223 1.00 0.63 H new ATOM 0 HB3 LYS A 114 16.785 -5.116 -4.277 1.00 0.63 H new ATOM 0 HG2 LYS A 114 18.926 -6.198 -3.716 1.00 0.90 H new ATOM 0 HG3 LYS A 114 18.759 -5.938 -5.441 1.00 0.90 H new ATOM 0 HD2 LYS A 114 20.199 -3.969 -5.348 1.00 1.14 H new ATOM 0 HD3 LYS A 114 20.249 -4.033 -3.597 1.00 1.14 H new ATOM 0 HE2 LYS A 114 21.305 -6.216 -5.436 1.00 1.51 H new ATOM 0 HE3 LYS A 114 22.296 -4.975 -4.694 1.00 1.51 H new ATOM 0 HZ1 LYS A 114 22.480 -6.797 -3.287 1.00 2.09 H new ATOM 0 HZ2 LYS A 114 21.339 -5.817 -2.500 1.00 2.09 H new ATOM 0 HZ3 LYS A 114 20.828 -7.179 -3.375 1.00 2.09 H new ATOM 1171 N ASP A 115 17.095 -3.763 -7.543 1.00 0.40 N ATOM 1172 CA ASP A 115 16.283 -4.174 -8.683 1.00 0.41 C ATOM 1173 C ASP A 115 15.800 -5.604 -8.497 1.00 0.38 C ATOM 1174 O ASP A 115 14.752 -5.992 -9.011 1.00 0.42 O ATOM 1175 CB ASP A 115 17.072 -4.050 -9.989 1.00 0.53 C ATOM 1176 CG ASP A 115 17.433 -2.615 -10.322 1.00 1.12 C ATOM 1177 OD1 ASP A 115 16.528 -1.847 -10.713 1.00 1.11 O ATOM 1178 OD2 ASP A 115 18.625 -2.249 -10.203 1.00 1.88 O ATOM 0 H ASP A 115 18.046 -3.485 -7.783 1.00 0.40 H new ATOM 0 HA ASP A 115 15.419 -3.512 -8.741 1.00 0.41 H new ATOM 0 HB2 ASP A 115 17.984 -4.642 -9.915 1.00 0.53 H new ATOM 0 HB3 ASP A 115 16.484 -4.471 -10.805 1.00 0.53 H new ATOM 1183 N SER A 116 16.569 -6.375 -7.743 1.00 0.38 N ATOM 1184 CA SER A 116 16.223 -7.751 -7.434 1.00 0.44 C ATOM 1185 C SER A 116 15.136 -7.831 -6.357 1.00 0.40 C ATOM 1186 O SER A 116 14.322 -8.756 -6.364 1.00 0.51 O ATOM 1187 CB SER A 116 17.474 -8.509 -6.980 1.00 0.54 C ATOM 1188 OG SER A 116 17.179 -9.855 -6.651 1.00 0.92 O ATOM 0 H SER A 116 17.448 -6.064 -7.330 1.00 0.38 H new ATOM 0 HA SER A 116 15.825 -8.212 -8.338 1.00 0.44 H new ATOM 0 HB2 SER A 116 18.223 -8.483 -7.772 1.00 0.54 H new ATOM 0 HB3 SER A 116 17.908 -8.009 -6.114 1.00 0.54 H new ATOM 0 HG SER A 116 17.999 -10.310 -6.367 1.00 0.92 H new ATOM 1194 N ASP A 117 15.096 -6.861 -5.441 1.00 0.28 N ATOM 1195 CA ASP A 117 14.170 -6.945 -4.314 1.00 0.28 C ATOM 1196 C ASP A 117 12.869 -6.218 -4.617 1.00 0.22 C ATOM 1197 O ASP A 117 11.905 -6.289 -3.855 1.00 0.24 O ATOM 1198 CB ASP A 117 14.808 -6.393 -3.038 1.00 0.34 C ATOM 1199 CG ASP A 117 15.919 -7.285 -2.514 1.00 1.08 C ATOM 1200 OD1 ASP A 117 15.697 -8.505 -2.363 1.00 1.90 O ATOM 1201 OD2 ASP A 117 17.027 -6.779 -2.254 1.00 1.04 O ATOM 0 H ASP A 117 15.681 -6.026 -5.456 1.00 0.28 H new ATOM 0 HA ASP A 117 13.940 -7.998 -4.154 1.00 0.28 H new ATOM 0 HB2 ASP A 117 15.207 -5.398 -3.236 1.00 0.34 H new ATOM 0 HB3 ASP A 117 14.042 -6.282 -2.270 1.00 0.34 H new ATOM 1206 N ILE A 118 12.848 -5.524 -5.738 1.00 0.23 N ATOM 1207 CA ILE A 118 11.657 -4.828 -6.192 1.00 0.22 C ATOM 1208 C ILE A 118 10.584 -5.813 -6.633 1.00 0.26 C ATOM 1209 O ILE A 118 10.767 -6.550 -7.603 1.00 0.34 O ATOM 1210 CB ILE A 118 11.992 -3.894 -7.367 1.00 0.26 C ATOM 1211 CG1 ILE A 118 12.912 -2.772 -6.899 1.00 0.26 C ATOM 1212 CG2 ILE A 118 10.723 -3.325 -7.988 1.00 0.31 C ATOM 1213 CD1 ILE A 118 13.605 -2.053 -8.032 1.00 0.32 C ATOM 0 H ILE A 118 13.652 -5.426 -6.358 1.00 0.23 H new ATOM 0 HA ILE A 118 11.281 -4.241 -5.354 1.00 0.22 H new ATOM 0 HB ILE A 118 12.508 -4.473 -8.132 1.00 0.26 H new ATOM 0 HG12 ILE A 118 12.331 -2.052 -6.323 1.00 0.26 H new ATOM 0 HG13 ILE A 118 13.664 -3.185 -6.227 1.00 0.26 H new ATOM 0 HG21 ILE A 118 10.987 -2.668 -8.817 1.00 0.31 H new ATOM 0 HG22 ILE A 118 10.100 -4.141 -8.356 1.00 0.31 H new ATOM 0 HG23 ILE A 118 10.173 -2.759 -7.237 1.00 0.31 H new ATOM 0 HD11 ILE A 118 14.244 -1.267 -7.628 1.00 0.32 H new ATOM 0 HD12 ILE A 118 14.213 -2.761 -8.595 1.00 0.32 H new ATOM 0 HD13 ILE A 118 12.859 -1.610 -8.692 1.00 0.32 H new ATOM 1225 N VAL A 119 9.476 -5.841 -5.909 1.00 0.24 N ATOM 1226 CA VAL A 119 8.334 -6.626 -6.326 1.00 0.31 C ATOM 1227 C VAL A 119 7.459 -5.785 -7.246 1.00 0.27 C ATOM 1228 O VAL A 119 6.946 -6.272 -8.253 1.00 0.31 O ATOM 1229 CB VAL A 119 7.495 -7.124 -5.130 1.00 0.36 C ATOM 1230 CG1 VAL A 119 6.358 -7.999 -5.625 1.00 0.47 C ATOM 1231 CG2 VAL A 119 8.359 -7.878 -4.131 1.00 0.38 C ATOM 0 H VAL A 119 9.347 -5.331 -5.035 1.00 0.24 H new ATOM 0 HA VAL A 119 8.709 -7.506 -6.849 1.00 0.31 H new ATOM 0 HB VAL A 119 7.076 -6.258 -4.617 1.00 0.36 H new ATOM 0 HG11 VAL A 119 5.770 -8.347 -4.776 1.00 0.47 H new ATOM 0 HG12 VAL A 119 5.721 -7.423 -6.296 1.00 0.47 H new ATOM 0 HG13 VAL A 119 6.765 -8.857 -6.160 1.00 0.47 H new ATOM 0 HG21 VAL A 119 7.742 -8.217 -3.299 1.00 0.38 H new ATOM 0 HG22 VAL A 119 8.813 -8.739 -4.620 1.00 0.38 H new ATOM 0 HG23 VAL A 119 9.142 -7.219 -3.757 1.00 0.38 H new ATOM 1241 N ASN A 120 7.311 -4.513 -6.896 1.00 0.25 N ATOM 1242 CA ASN A 120 6.520 -3.582 -7.696 1.00 0.24 C ATOM 1243 C ASN A 120 7.014 -2.149 -7.506 1.00 0.23 C ATOM 1244 O ASN A 120 7.736 -1.848 -6.557 1.00 0.26 O ATOM 1245 CB ASN A 120 5.038 -3.699 -7.316 1.00 0.31 C ATOM 1246 CG ASN A 120 4.113 -2.861 -8.178 1.00 0.54 C ATOM 1247 OD1 ASN A 120 3.686 -3.288 -9.248 1.00 1.17 O ATOM 1248 ND2 ASN A 120 3.772 -1.676 -7.701 1.00 0.36 N ATOM 0 H ASN A 120 7.729 -4.101 -6.062 1.00 0.25 H new ATOM 0 HA ASN A 120 6.635 -3.839 -8.749 1.00 0.24 H new ATOM 0 HB2 ASN A 120 4.737 -4.744 -7.387 1.00 0.31 H new ATOM 0 HB3 ASN A 120 4.916 -3.402 -6.274 1.00 0.31 H new ATOM 0 HD21 ASN A 120 3.132 -1.080 -8.226 1.00 0.36 H new ATOM 0 HD22 ASN A 120 4.149 -1.358 -6.808 1.00 0.36 H new ATOM 1255 N GLU A 121 6.619 -1.277 -8.414 1.00 0.24 N ATOM 1256 CA GLU A 121 7.029 0.120 -8.383 1.00 0.25 C ATOM 1257 C GLU A 121 5.817 1.032 -8.331 1.00 0.25 C ATOM 1258 O GLU A 121 4.842 0.833 -9.057 1.00 0.32 O ATOM 1259 CB GLU A 121 7.889 0.444 -9.608 1.00 0.31 C ATOM 1260 CG GLU A 121 7.998 1.927 -9.949 1.00 0.35 C ATOM 1261 CD GLU A 121 8.555 2.155 -11.340 1.00 0.71 C ATOM 1262 OE1 GLU A 121 9.385 1.339 -11.798 1.00 1.17 O ATOM 1263 OE2 GLU A 121 8.158 3.141 -11.992 1.00 1.24 O ATOM 0 H GLU A 121 6.006 -1.513 -9.194 1.00 0.24 H new ATOM 0 HA GLU A 121 7.622 0.288 -7.484 1.00 0.25 H new ATOM 0 HB2 GLU A 121 8.892 0.051 -9.443 1.00 0.31 H new ATOM 0 HB3 GLU A 121 7.478 -0.082 -10.470 1.00 0.31 H new ATOM 0 HG2 GLU A 121 7.014 2.389 -9.873 1.00 0.35 H new ATOM 0 HG3 GLU A 121 8.638 2.420 -9.218 1.00 0.35 H new ATOM 1270 N ILE A 122 5.882 2.026 -7.465 1.00 0.21 N ATOM 1271 CA ILE A 122 4.819 3.001 -7.339 1.00 0.23 C ATOM 1272 C ILE A 122 5.378 4.392 -7.590 1.00 0.26 C ATOM 1273 O ILE A 122 6.551 4.541 -7.931 1.00 0.25 O ATOM 1274 CB ILE A 122 4.126 2.927 -5.965 1.00 0.26 C ATOM 1275 CG1 ILE A 122 5.141 3.109 -4.834 1.00 0.27 C ATOM 1276 CG2 ILE A 122 3.394 1.601 -5.825 1.00 0.27 C ATOM 1277 CD1 ILE A 122 4.568 2.868 -3.457 1.00 0.31 C ATOM 0 H ILE A 122 6.668 2.179 -6.834 1.00 0.21 H new ATOM 0 HA ILE A 122 4.058 2.775 -8.086 1.00 0.23 H new ATOM 0 HB ILE A 122 3.400 3.737 -5.895 1.00 0.26 H new ATOM 0 HG12 ILE A 122 5.976 2.427 -4.994 1.00 0.27 H new ATOM 0 HG13 ILE A 122 5.543 4.121 -4.878 1.00 0.27 H new ATOM 0 HG21 ILE A 122 2.906 1.556 -4.851 1.00 0.27 H new ATOM 0 HG22 ILE A 122 2.644 1.515 -6.611 1.00 0.27 H new ATOM 0 HG23 ILE A 122 4.107 0.781 -5.912 1.00 0.27 H new ATOM 0 HD11 ILE A 122 5.346 3.016 -2.708 1.00 0.31 H new ATOM 0 HD12 ILE A 122 3.752 3.567 -3.275 1.00 0.31 H new ATOM 0 HD13 ILE A 122 4.192 1.847 -3.393 1.00 0.31 H new ATOM 1289 N LYS A 123 4.545 5.402 -7.463 1.00 0.30 N ATOM 1290 CA LYS A 123 4.958 6.752 -7.792 1.00 0.34 C ATOM 1291 C LYS A 123 5.858 7.330 -6.715 1.00 0.36 C ATOM 1292 O LYS A 123 5.428 7.564 -5.586 1.00 0.42 O ATOM 1293 CB LYS A 123 3.739 7.635 -7.999 1.00 0.39 C ATOM 1294 CG LYS A 123 4.033 8.857 -8.837 1.00 0.48 C ATOM 1295 CD LYS A 123 2.769 9.627 -9.169 1.00 0.75 C ATOM 1296 CE LYS A 123 1.886 8.869 -10.148 1.00 1.35 C ATOM 1297 NZ LYS A 123 0.624 9.601 -10.431 1.00 2.15 N ATOM 0 H LYS A 123 3.583 5.317 -7.136 1.00 0.30 H new ATOM 0 HA LYS A 123 5.530 6.716 -8.719 1.00 0.34 H new ATOM 0 HB2 LYS A 123 2.952 7.053 -8.479 1.00 0.39 H new ATOM 0 HB3 LYS A 123 3.356 7.950 -7.028 1.00 0.39 H new ATOM 0 HG2 LYS A 123 4.725 9.507 -8.302 1.00 0.48 H new ATOM 0 HG3 LYS A 123 4.528 8.555 -9.760 1.00 0.48 H new ATOM 0 HD2 LYS A 123 2.211 9.822 -8.253 1.00 0.75 H new ATOM 0 HD3 LYS A 123 3.034 10.595 -9.593 1.00 0.75 H new ATOM 0 HE2 LYS A 123 2.430 8.708 -11.079 1.00 1.35 H new ATOM 0 HE3 LYS A 123 1.653 7.885 -9.741 1.00 1.35 H new ATOM 0 HZ1 LYS A 123 0.170 9.197 -11.275 1.00 2.15 H new ATOM 0 HZ2 LYS A 123 -0.018 9.513 -9.618 1.00 2.15 H new ATOM 0 HZ3 LYS A 123 0.835 10.605 -10.599 1.00 2.15 H new ATOM 1311 N GLY A 124 7.106 7.556 -7.083 1.00 0.37 N ATOM 1312 CA GLY A 124 8.074 8.113 -6.164 1.00 0.42 C ATOM 1313 C GLY A 124 8.732 7.061 -5.291 1.00 0.38 C ATOM 1314 O GLY A 124 9.908 7.177 -4.943 1.00 0.42 O ATOM 0 H GLY A 124 7.471 7.361 -8.015 1.00 0.37 H new ATOM 0 HA2 GLY A 124 8.842 8.641 -6.729 1.00 0.42 H new ATOM 0 HA3 GLY A 124 7.582 8.850 -5.529 1.00 0.42 H new ATOM 1318 N GLY A 125 7.969 6.045 -4.926 1.00 0.34 N ATOM 1319 CA GLY A 125 8.492 4.982 -4.101 1.00 0.31 C ATOM 1320 C GLY A 125 8.491 3.644 -4.805 1.00 0.25 C ATOM 1321 O GLY A 125 8.006 3.515 -5.926 1.00 0.29 O ATOM 0 H GLY A 125 6.989 5.938 -5.189 1.00 0.34 H new ATOM 0 HA2 GLY A 125 9.510 5.229 -3.800 1.00 0.31 H new ATOM 0 HA3 GLY A 125 7.898 4.909 -3.190 1.00 0.31 H new ATOM 1325 N TYR A 126 9.048 2.645 -4.149 1.00 0.19 N ATOM 1326 CA TYR A 126 9.003 1.281 -4.633 1.00 0.16 C ATOM 1327 C TYR A 126 8.529 0.366 -3.531 1.00 0.16 C ATOM 1328 O TYR A 126 9.134 0.322 -2.461 1.00 0.17 O ATOM 1329 CB TYR A 126 10.384 0.819 -5.096 1.00 0.15 C ATOM 1330 CG TYR A 126 10.698 1.127 -6.537 1.00 0.18 C ATOM 1331 CD1 TYR A 126 10.796 2.430 -6.982 1.00 0.24 C ATOM 1332 CD2 TYR A 126 10.895 0.107 -7.452 1.00 0.21 C ATOM 1333 CE1 TYR A 126 11.082 2.716 -8.298 1.00 0.29 C ATOM 1334 CE2 TYR A 126 11.187 0.380 -8.772 1.00 0.27 C ATOM 1335 CZ TYR A 126 11.281 1.688 -9.189 1.00 0.30 C ATOM 1336 OH TYR A 126 11.565 1.967 -10.506 1.00 0.38 O ATOM 0 H TYR A 126 9.545 2.757 -3.265 1.00 0.19 H new ATOM 0 HA TYR A 126 8.315 1.244 -5.477 1.00 0.16 H new ATOM 0 HB2 TYR A 126 11.140 1.287 -4.465 1.00 0.15 H new ATOM 0 HB3 TYR A 126 10.463 -0.257 -4.943 1.00 0.15 H new ATOM 0 HD1 TYR A 126 10.645 3.241 -6.284 1.00 0.24 H new ATOM 0 HD2 TYR A 126 10.819 -0.920 -7.127 1.00 0.21 H new ATOM 0 HE1 TYR A 126 11.150 3.742 -8.629 1.00 0.29 H new ATOM 0 HE2 TYR A 126 11.341 -0.427 -9.473 1.00 0.27 H new ATOM 0 HH TYR A 126 10.976 1.440 -11.086 1.00 0.38 H new ATOM 1346 N VAL A 127 7.451 -0.350 -3.771 1.00 0.18 N ATOM 1347 CA VAL A 127 7.040 -1.372 -2.837 1.00 0.20 C ATOM 1348 C VAL A 127 7.922 -2.597 -3.065 1.00 0.17 C ATOM 1349 O VAL A 127 7.831 -3.285 -4.086 1.00 0.20 O ATOM 1350 CB VAL A 127 5.530 -1.706 -2.964 1.00 0.29 C ATOM 1351 CG1 VAL A 127 5.127 -1.941 -4.411 1.00 0.55 C ATOM 1352 CG2 VAL A 127 5.167 -2.903 -2.103 1.00 0.60 C ATOM 0 H VAL A 127 6.853 -0.245 -4.591 1.00 0.18 H new ATOM 0 HA VAL A 127 7.169 -1.012 -1.816 1.00 0.20 H new ATOM 0 HB VAL A 127 4.973 -0.841 -2.604 1.00 0.29 H new ATOM 0 HG11 VAL A 127 4.063 -2.172 -4.459 1.00 0.55 H new ATOM 0 HG12 VAL A 127 5.330 -1.044 -4.996 1.00 0.55 H new ATOM 0 HG13 VAL A 127 5.698 -2.776 -4.817 1.00 0.55 H new ATOM 0 HG21 VAL A 127 4.104 -3.118 -2.209 1.00 0.60 H new ATOM 0 HG22 VAL A 127 5.746 -3.770 -2.422 1.00 0.60 H new ATOM 0 HG23 VAL A 127 5.391 -2.682 -1.059 1.00 0.60 H new ATOM 1362 N ILE A 128 8.789 -2.848 -2.106 1.00 0.14 N ATOM 1363 CA ILE A 128 9.880 -3.782 -2.291 1.00 0.12 C ATOM 1364 C ILE A 128 9.908 -4.826 -1.200 1.00 0.13 C ATOM 1365 O ILE A 128 9.459 -4.589 -0.083 1.00 0.16 O ATOM 1366 CB ILE A 128 11.239 -3.046 -2.324 1.00 0.13 C ATOM 1367 CG1 ILE A 128 11.433 -2.204 -1.052 1.00 0.16 C ATOM 1368 CG2 ILE A 128 11.329 -2.167 -3.561 1.00 0.16 C ATOM 1369 CD1 ILE A 128 12.752 -1.463 -1.001 1.00 0.19 C ATOM 0 H ILE A 128 8.758 -2.414 -1.183 1.00 0.14 H new ATOM 0 HA ILE A 128 9.714 -4.278 -3.247 1.00 0.12 H new ATOM 0 HB ILE A 128 12.034 -3.791 -2.364 1.00 0.13 H new ATOM 0 HG12 ILE A 128 10.619 -1.483 -0.978 1.00 0.16 H new ATOM 0 HG13 ILE A 128 11.360 -2.856 -0.182 1.00 0.16 H new ATOM 0 HG21 ILE A 128 12.290 -1.654 -3.573 1.00 0.16 H new ATOM 0 HG22 ILE A 128 11.236 -2.785 -4.454 1.00 0.16 H new ATOM 0 HG23 ILE A 128 10.525 -1.431 -3.544 1.00 0.16 H new ATOM 0 HD11 ILE A 128 12.813 -0.893 -0.074 1.00 0.19 H new ATOM 0 HD12 ILE A 128 13.573 -2.179 -1.042 1.00 0.19 H new ATOM 0 HD13 ILE A 128 12.821 -0.783 -1.850 1.00 0.19 H new ATOM 1381 N LYS A 129 10.440 -5.979 -1.538 1.00 0.15 N ATOM 1382 CA LYS A 129 10.600 -7.055 -0.587 1.00 0.18 C ATOM 1383 C LYS A 129 12.079 -7.358 -0.433 1.00 0.19 C ATOM 1384 O LYS A 129 12.684 -7.996 -1.293 1.00 0.20 O ATOM 1385 CB LYS A 129 9.842 -8.289 -1.080 1.00 0.22 C ATOM 1386 CG LYS A 129 9.976 -9.517 -0.198 1.00 0.28 C ATOM 1387 CD LYS A 129 9.274 -10.705 -0.834 1.00 0.40 C ATOM 1388 CE LYS A 129 9.498 -11.985 -0.052 1.00 0.51 C ATOM 1389 NZ LYS A 129 8.876 -13.153 -0.732 1.00 0.76 N ATOM 0 H LYS A 129 10.773 -6.197 -2.477 1.00 0.15 H new ATOM 0 HA LYS A 129 10.194 -6.766 0.382 1.00 0.18 H new ATOM 0 HB2 LYS A 129 8.785 -8.037 -1.168 1.00 0.22 H new ATOM 0 HB3 LYS A 129 10.195 -8.538 -2.081 1.00 0.22 H new ATOM 0 HG2 LYS A 129 11.030 -9.749 -0.044 1.00 0.28 H new ATOM 0 HG3 LYS A 129 9.547 -9.316 0.784 1.00 0.28 H new ATOM 0 HD2 LYS A 129 8.205 -10.502 -0.898 1.00 0.40 H new ATOM 0 HD3 LYS A 129 9.635 -10.836 -1.854 1.00 0.40 H new ATOM 0 HE2 LYS A 129 10.568 -12.158 0.066 1.00 0.51 H new ATOM 0 HE3 LYS A 129 9.079 -11.880 0.949 1.00 0.51 H new ATOM 0 HZ1 LYS A 129 9.090 -14.020 -0.199 1.00 0.76 H new ATOM 0 HZ2 LYS A 129 7.846 -13.020 -0.777 1.00 0.76 H new ATOM 0 HZ3 LYS A 129 9.257 -13.237 -1.696 1.00 0.76 H new ATOM 1403 N VAL A 130 12.657 -6.898 0.663 1.00 0.21 N ATOM 1404 CA VAL A 130 14.065 -7.081 0.915 1.00 0.24 C ATOM 1405 C VAL A 130 14.250 -7.849 2.218 1.00 0.29 C ATOM 1406 O VAL A 130 13.561 -7.582 3.208 1.00 0.29 O ATOM 1407 CB VAL A 130 14.830 -5.722 0.955 1.00 0.24 C ATOM 1408 CG1 VAL A 130 14.062 -4.643 0.210 1.00 0.26 C ATOM 1409 CG2 VAL A 130 15.127 -5.253 2.371 1.00 0.26 C ATOM 0 H VAL A 130 12.162 -6.391 1.396 1.00 0.21 H new ATOM 0 HA VAL A 130 14.490 -7.657 0.093 1.00 0.24 H new ATOM 0 HB VAL A 130 15.785 -5.898 0.460 1.00 0.24 H new ATOM 0 HG11 VAL A 130 14.617 -3.706 0.253 1.00 0.26 H new ATOM 0 HG12 VAL A 130 13.933 -4.941 -0.831 1.00 0.26 H new ATOM 0 HG13 VAL A 130 13.084 -4.507 0.672 1.00 0.26 H new ATOM 0 HG21 VAL A 130 15.660 -4.303 2.335 1.00 0.26 H new ATOM 0 HG22 VAL A 130 14.191 -5.124 2.915 1.00 0.26 H new ATOM 0 HG23 VAL A 130 15.742 -5.996 2.879 1.00 0.26 H new ATOM 1419 N ASP A 131 15.140 -8.832 2.195 1.00 0.36 N ATOM 1420 CA ASP A 131 15.445 -9.638 3.375 1.00 0.44 C ATOM 1421 C ASP A 131 14.175 -10.302 3.932 1.00 0.43 C ATOM 1422 O ASP A 131 14.035 -10.526 5.135 1.00 0.50 O ATOM 1423 CB ASP A 131 16.136 -8.758 4.427 1.00 0.48 C ATOM 1424 CG ASP A 131 16.656 -9.536 5.626 1.00 0.59 C ATOM 1425 OD1 ASP A 131 17.488 -10.448 5.436 1.00 0.74 O ATOM 1426 OD2 ASP A 131 16.225 -9.248 6.765 1.00 0.59 O ATOM 0 H ASP A 131 15.670 -9.094 1.364 1.00 0.36 H new ATOM 0 HA ASP A 131 16.125 -10.443 3.096 1.00 0.44 H new ATOM 0 HB2 ASP A 131 16.967 -8.231 3.958 1.00 0.48 H new ATOM 0 HB3 ASP A 131 15.433 -8.000 4.773 1.00 0.48 H new ATOM 1431 N GLY A 132 13.237 -10.595 3.035 1.00 0.39 N ATOM 1432 CA GLY A 132 12.001 -11.258 3.419 1.00 0.40 C ATOM 1433 C GLY A 132 10.942 -10.288 3.914 1.00 0.40 C ATOM 1434 O GLY A 132 9.802 -10.678 4.183 1.00 0.59 O ATOM 0 H GLY A 132 13.312 -10.383 2.040 1.00 0.39 H new ATOM 0 HA2 GLY A 132 11.610 -11.811 2.565 1.00 0.40 H new ATOM 0 HA3 GLY A 132 12.213 -11.987 4.201 1.00 0.40 H new ATOM 1438 N LYS A 133 11.314 -9.025 4.025 1.00 0.30 N ATOM 1439 CA LYS A 133 10.421 -8.001 4.541 1.00 0.29 C ATOM 1440 C LYS A 133 10.040 -7.015 3.459 1.00 0.26 C ATOM 1441 O LYS A 133 10.795 -6.777 2.525 1.00 0.33 O ATOM 1442 CB LYS A 133 11.084 -7.265 5.703 1.00 0.33 C ATOM 1443 CG LYS A 133 11.010 -8.022 7.010 1.00 0.40 C ATOM 1444 CD LYS A 133 11.975 -7.468 8.041 1.00 0.80 C ATOM 1445 CE LYS A 133 13.420 -7.738 7.659 1.00 0.62 C ATOM 1446 NZ LYS A 133 13.740 -9.189 7.692 1.00 1.15 N ATOM 0 H LYS A 133 12.238 -8.681 3.762 1.00 0.30 H new ATOM 0 HA LYS A 133 9.513 -8.490 4.894 1.00 0.29 H new ATOM 0 HB2 LYS A 133 12.130 -7.079 5.457 1.00 0.33 H new ATOM 0 HB3 LYS A 133 10.608 -6.292 5.827 1.00 0.33 H new ATOM 0 HG2 LYS A 133 9.994 -7.973 7.401 1.00 0.40 H new ATOM 0 HG3 LYS A 133 11.233 -9.074 6.833 1.00 0.40 H new ATOM 0 HD2 LYS A 133 11.820 -6.394 8.144 1.00 0.80 H new ATOM 0 HD3 LYS A 133 11.766 -7.915 9.013 1.00 0.80 H new ATOM 0 HE2 LYS A 133 13.610 -7.347 6.660 1.00 0.62 H new ATOM 0 HE3 LYS A 133 14.082 -7.205 8.341 1.00 0.62 H new ATOM 0 HZ1 LYS A 133 14.772 -9.317 7.712 1.00 1.15 H new ATOM 0 HZ2 LYS A 133 13.321 -9.618 8.542 1.00 1.15 H new ATOM 0 HZ3 LYS A 133 13.351 -9.650 6.845 1.00 1.15 H new ATOM 1460 N TYR A 134 8.865 -6.443 3.594 1.00 0.25 N ATOM 1461 CA TYR A 134 8.373 -5.488 2.620 1.00 0.23 C ATOM 1462 C TYR A 134 8.562 -4.065 3.100 1.00 0.22 C ATOM 1463 O TYR A 134 8.338 -3.754 4.271 1.00 0.26 O ATOM 1464 CB TYR A 134 6.903 -5.729 2.332 1.00 0.28 C ATOM 1465 CG TYR A 134 6.629 -6.325 0.976 1.00 0.46 C ATOM 1466 CD1 TYR A 134 6.461 -5.521 -0.144 1.00 0.64 C ATOM 1467 CD2 TYR A 134 6.502 -7.685 0.828 1.00 0.63 C ATOM 1468 CE1 TYR A 134 6.173 -6.072 -1.377 1.00 0.88 C ATOM 1469 CE2 TYR A 134 6.205 -8.242 -0.401 1.00 0.86 C ATOM 1470 CZ TYR A 134 6.041 -7.434 -1.493 1.00 0.91 C ATOM 1471 OH TYR A 134 5.721 -7.997 -2.699 1.00 1.22 O ATOM 0 H TYR A 134 8.228 -6.622 4.371 1.00 0.25 H new ATOM 0 HA TYR A 134 8.950 -5.628 1.706 1.00 0.23 H new ATOM 0 HB2 TYR A 134 6.499 -6.392 3.096 1.00 0.28 H new ATOM 0 HB3 TYR A 134 6.368 -4.783 2.415 1.00 0.28 H new ATOM 0 HD1 TYR A 134 6.557 -4.449 -0.049 1.00 0.64 H new ATOM 0 HD2 TYR A 134 6.636 -8.328 1.685 1.00 0.63 H new ATOM 0 HE1 TYR A 134 6.053 -5.437 -2.243 1.00 0.88 H new ATOM 0 HE2 TYR A 134 6.103 -9.313 -0.500 1.00 0.86 H new ATOM 0 HH TYR A 134 4.941 -7.540 -3.077 1.00 1.22 H new ATOM 1481 N TYR A 135 8.974 -3.212 2.186 1.00 0.19 N ATOM 1482 CA TYR A 135 9.175 -1.805 2.469 1.00 0.20 C ATOM 1483 C TYR A 135 8.730 -0.987 1.281 1.00 0.19 C ATOM 1484 O TYR A 135 8.487 -1.523 0.203 1.00 0.21 O ATOM 1485 CB TYR A 135 10.655 -1.500 2.732 1.00 0.19 C ATOM 1486 CG TYR A 135 11.312 -2.356 3.771 1.00 0.21 C ATOM 1487 CD1 TYR A 135 11.942 -3.532 3.416 1.00 0.22 C ATOM 1488 CD2 TYR A 135 11.328 -1.971 5.100 1.00 0.28 C ATOM 1489 CE1 TYR A 135 12.569 -4.306 4.347 1.00 0.26 C ATOM 1490 CE2 TYR A 135 11.954 -2.744 6.049 1.00 0.32 C ATOM 1491 CZ TYR A 135 12.577 -3.914 5.670 1.00 0.31 C ATOM 1492 OH TYR A 135 13.216 -4.685 6.613 1.00 0.37 O ATOM 0 H TYR A 135 9.180 -3.475 1.222 1.00 0.19 H new ATOM 0 HA TYR A 135 8.594 -1.553 3.356 1.00 0.20 H new ATOM 0 HB2 TYR A 135 11.203 -1.609 1.796 1.00 0.19 H new ATOM 0 HB3 TYR A 135 10.745 -0.457 3.035 1.00 0.19 H new ATOM 0 HD1 TYR A 135 11.938 -3.845 2.382 1.00 0.22 H new ATOM 0 HD2 TYR A 135 10.843 -1.052 5.395 1.00 0.28 H new ATOM 0 HE1 TYR A 135 13.057 -5.222 4.050 1.00 0.26 H new ATOM 0 HE2 TYR A 135 11.958 -2.437 7.084 1.00 0.32 H new ATOM 0 HH TYR A 135 13.127 -4.265 7.494 1.00 0.37 H new ATOM 1502 N VAL A 136 8.619 0.303 1.485 1.00 0.21 N ATOM 1503 CA VAL A 136 8.396 1.219 0.397 1.00 0.22 C ATOM 1504 C VAL A 136 9.548 2.201 0.319 1.00 0.23 C ATOM 1505 O VAL A 136 9.749 3.040 1.200 1.00 0.31 O ATOM 1506 CB VAL A 136 7.045 1.945 0.524 1.00 0.25 C ATOM 1507 CG1 VAL A 136 6.913 3.043 -0.523 1.00 0.26 C ATOM 1508 CG2 VAL A 136 5.919 0.932 0.381 1.00 0.26 C ATOM 0 H VAL A 136 8.680 0.743 2.403 1.00 0.21 H new ATOM 0 HA VAL A 136 8.352 0.649 -0.531 1.00 0.22 H new ATOM 0 HB VAL A 136 6.987 2.418 1.504 1.00 0.25 H new ATOM 0 HG11 VAL A 136 5.949 3.539 -0.410 1.00 0.26 H new ATOM 0 HG12 VAL A 136 7.714 3.771 -0.390 1.00 0.26 H new ATOM 0 HG13 VAL A 136 6.982 2.606 -1.519 1.00 0.26 H new ATOM 0 HG21 VAL A 136 4.959 1.440 0.470 1.00 0.26 H new ATOM 0 HG22 VAL A 136 5.985 0.450 -0.594 1.00 0.26 H new ATOM 0 HG23 VAL A 136 6.005 0.179 1.165 1.00 0.26 H new ATOM 1518 N TYR A 137 10.317 2.048 -0.737 1.00 0.20 N ATOM 1519 CA TYR A 137 11.495 2.852 -0.975 1.00 0.24 C ATOM 1520 C TYR A 137 11.111 4.188 -1.533 1.00 0.27 C ATOM 1521 O TYR A 137 10.747 4.301 -2.692 1.00 0.46 O ATOM 1522 CB TYR A 137 12.415 2.126 -1.955 1.00 0.35 C ATOM 1523 CG TYR A 137 13.418 3.039 -2.601 1.00 0.50 C ATOM 1524 CD1 TYR A 137 14.430 3.580 -1.854 1.00 0.59 C ATOM 1525 CD2 TYR A 137 13.336 3.375 -3.943 1.00 0.63 C ATOM 1526 CE1 TYR A 137 15.349 4.435 -2.408 1.00 0.76 C ATOM 1527 CE2 TYR A 137 14.251 4.228 -4.515 1.00 0.78 C ATOM 1528 CZ TYR A 137 15.258 4.758 -3.745 1.00 0.77 C ATOM 1529 OH TYR A 137 16.170 5.612 -4.316 1.00 1.01 O ATOM 0 H TYR A 137 10.139 1.354 -1.463 1.00 0.20 H new ATOM 0 HA TYR A 137 12.016 3.007 -0.030 1.00 0.24 H new ATOM 0 HB2 TYR A 137 12.942 1.330 -1.429 1.00 0.35 H new ATOM 0 HB3 TYR A 137 11.811 1.652 -2.729 1.00 0.35 H new ATOM 0 HD1 TYR A 137 14.506 3.328 -0.807 1.00 0.59 H new ATOM 0 HD2 TYR A 137 12.543 2.961 -4.548 1.00 0.63 H new ATOM 0 HE1 TYR A 137 16.139 4.852 -1.801 1.00 0.76 H new ATOM 0 HE2 TYR A 137 14.178 4.480 -5.563 1.00 0.78 H new ATOM 0 HH TYR A 137 16.749 5.111 -4.927 1.00 1.01 H new ATOM 1539 N LEU A 138 11.195 5.199 -0.708 1.00 0.29 N ATOM 1540 CA LEU A 138 10.834 6.512 -1.143 1.00 0.38 C ATOM 1541 C LEU A 138 12.045 7.275 -1.633 1.00 0.44 C ATOM 1542 O LEU A 138 13.031 7.431 -0.915 1.00 0.50 O ATOM 1543 CB LEU A 138 10.163 7.252 -0.011 1.00 0.48 C ATOM 1544 CG LEU A 138 9.092 8.230 -0.464 1.00 0.64 C ATOM 1545 CD1 LEU A 138 8.015 7.503 -1.255 1.00 0.72 C ATOM 1546 CD2 LEU A 138 8.493 8.953 0.725 1.00 0.72 C ATOM 0 H LEU A 138 11.508 5.134 0.261 1.00 0.29 H new ATOM 0 HA LEU A 138 10.138 6.425 -1.978 1.00 0.38 H new ATOM 0 HB2 LEU A 138 9.715 6.527 0.669 1.00 0.48 H new ATOM 0 HB3 LEU A 138 10.920 7.794 0.555 1.00 0.48 H new ATOM 0 HG LEU A 138 9.552 8.974 -1.114 1.00 0.64 H new ATOM 0 HD11 LEU A 138 7.254 8.215 -1.573 1.00 0.72 H new ATOM 0 HD12 LEU A 138 8.462 7.033 -2.131 1.00 0.72 H new ATOM 0 HD13 LEU A 138 7.556 6.739 -0.628 1.00 0.72 H new ATOM 0 HD21 LEU A 138 7.728 9.649 0.380 1.00 0.72 H new ATOM 0 HD22 LEU A 138 8.044 8.228 1.404 1.00 0.72 H new ATOM 0 HD23 LEU A 138 9.275 9.503 1.248 1.00 0.72 H new ATOM 1558 N LYS A 139 11.961 7.736 -2.867 1.00 0.46 N ATOM 1559 CA LYS A 139 13.024 8.529 -3.455 1.00 0.54 C ATOM 1560 C LYS A 139 12.992 9.953 -2.901 1.00 0.64 C ATOM 1561 O LYS A 139 13.992 10.672 -2.944 1.00 0.74 O ATOM 1562 CB LYS A 139 12.907 8.543 -4.977 1.00 0.56 C ATOM 1563 CG LYS A 139 13.178 7.196 -5.627 1.00 0.50 C ATOM 1564 CD LYS A 139 13.254 7.314 -7.137 1.00 0.59 C ATOM 1565 CE LYS A 139 13.848 6.061 -7.759 1.00 1.51 C ATOM 1566 NZ LYS A 139 15.265 5.862 -7.351 1.00 2.31 N ATOM 0 H LYS A 139 11.165 7.574 -3.483 1.00 0.46 H new ATOM 0 HA LYS A 139 13.979 8.075 -3.191 1.00 0.54 H new ATOM 0 HB2 LYS A 139 11.905 8.873 -5.252 1.00 0.56 H new ATOM 0 HB3 LYS A 139 13.606 9.277 -5.379 1.00 0.56 H new ATOM 0 HG2 LYS A 139 14.114 6.788 -5.245 1.00 0.50 H new ATOM 0 HG3 LYS A 139 12.390 6.494 -5.355 1.00 0.50 H new ATOM 0 HD2 LYS A 139 12.256 7.486 -7.541 1.00 0.59 H new ATOM 0 HD3 LYS A 139 13.860 8.179 -7.406 1.00 0.59 H new ATOM 0 HE2 LYS A 139 13.259 5.193 -7.463 1.00 1.51 H new ATOM 0 HE3 LYS A 139 13.788 6.131 -8.845 1.00 1.51 H new ATOM 0 HZ1 LYS A 139 15.682 5.090 -7.909 1.00 2.31 H new ATOM 0 HZ2 LYS A 139 15.800 6.738 -7.517 1.00 2.31 H new ATOM 0 HZ3 LYS A 139 15.304 5.619 -6.341 1.00 2.31 H new ATOM 1580 N ASP A 140 11.839 10.353 -2.374 1.00 0.66 N ATOM 1581 CA ASP A 140 11.689 11.658 -1.743 1.00 0.78 C ATOM 1582 C ASP A 140 10.940 11.512 -0.428 1.00 0.77 C ATOM 1583 O ASP A 140 9.711 11.581 -0.386 1.00 0.88 O ATOM 1584 CB ASP A 140 10.938 12.627 -2.659 1.00 1.00 C ATOM 1585 CG ASP A 140 10.824 14.020 -2.066 1.00 1.24 C ATOM 1586 OD1 ASP A 140 9.841 14.285 -1.346 1.00 1.58 O ATOM 1587 OD2 ASP A 140 11.719 14.856 -2.304 1.00 1.57 O ATOM 0 H ASP A 140 10.990 9.787 -2.372 1.00 0.66 H new ATOM 0 HA ASP A 140 12.683 12.063 -1.555 1.00 0.78 H new ATOM 0 HB2 ASP A 140 11.451 12.685 -3.619 1.00 1.00 H new ATOM 0 HB3 ASP A 140 9.939 12.236 -2.855 1.00 1.00 H new ATOM 1592 N ALA A 141 11.686 11.296 0.644 1.00 0.73 N ATOM 1593 CA ALA A 141 11.096 11.109 1.962 1.00 0.79 C ATOM 1594 C ALA A 141 10.736 12.450 2.591 1.00 0.97 C ATOM 1595 O ALA A 141 10.084 12.508 3.633 1.00 1.12 O ATOM 1596 CB ALA A 141 12.057 10.348 2.864 1.00 0.86 C ATOM 0 H ALA A 141 12.705 11.246 0.628 1.00 0.73 H new ATOM 0 HA ALA A 141 10.181 10.528 1.847 1.00 0.79 H new ATOM 0 HB1 ALA A 141 11.605 10.214 3.847 1.00 0.86 H new ATOM 0 HB2 ALA A 141 12.271 9.373 2.427 1.00 0.86 H new ATOM 0 HB3 ALA A 141 12.985 10.911 2.965 1.00 0.86 H new ATOM 1602 N ALA A 142 11.144 13.525 1.932 1.00 1.02 N ATOM 1603 CA ALA A 142 11.014 14.861 2.491 1.00 1.26 C ATOM 1604 C ALA A 142 9.614 15.436 2.315 1.00 1.37 C ATOM 1605 O ALA A 142 9.049 16.000 3.249 1.00 1.60 O ATOM 1606 CB ALA A 142 12.034 15.790 1.858 1.00 1.38 C ATOM 0 H ALA A 142 11.570 13.496 1.005 1.00 1.02 H new ATOM 0 HA ALA A 142 11.198 14.779 3.562 1.00 1.26 H new ATOM 0 HB1 ALA A 142 11.929 16.788 2.283 1.00 1.38 H new ATOM 0 HB2 ALA A 142 13.039 15.415 2.055 1.00 1.38 H new ATOM 0 HB3 ALA A 142 11.867 15.834 0.782 1.00 1.38 H new ATOM 1612 N HIS A 143 9.051 15.300 1.122 1.00 1.30 N ATOM 1613 CA HIS A 143 7.798 15.983 0.803 1.00 1.50 C ATOM 1614 C HIS A 143 6.643 15.004 0.697 1.00 1.25 C ATOM 1615 O HIS A 143 5.560 15.358 0.228 1.00 1.33 O ATOM 1616 CB HIS A 143 7.929 16.755 -0.510 1.00 1.74 C ATOM 1617 CG HIS A 143 9.198 17.545 -0.618 1.00 2.20 C ATOM 1618 ND1 HIS A 143 10.301 17.101 -1.310 1.00 2.83 N ATOM 1619 CD2 HIS A 143 9.542 18.747 -0.102 1.00 2.47 C ATOM 1620 CE1 HIS A 143 11.265 17.992 -1.218 1.00 3.41 C ATOM 1621 NE2 HIS A 143 10.834 19.002 -0.491 1.00 3.11 N ATOM 0 H HIS A 143 9.433 14.732 0.366 1.00 1.30 H new ATOM 0 HA HIS A 143 7.590 16.678 1.616 1.00 1.50 H new ATOM 0 HB2 HIS A 143 7.877 16.052 -1.342 1.00 1.74 H new ATOM 0 HB3 HIS A 143 7.080 17.431 -0.610 1.00 1.74 H new ATOM 0 HD2 HIS A 143 8.917 19.387 0.503 1.00 2.47 H new ATOM 0 HE1 HIS A 143 12.245 17.909 -1.664 1.00 3.41 H new ATOM 0 HE2 HIS A 143 11.371 19.836 -0.256 1.00 3.11 H new ATOM 1630 N ALA A 144 6.892 13.776 1.145 1.00 0.99 N ATOM 1631 CA ALA A 144 5.920 12.693 1.070 1.00 0.77 C ATOM 1632 C ALA A 144 5.545 12.374 -0.366 1.00 0.76 C ATOM 1633 O ALA A 144 4.673 13.004 -0.957 1.00 1.13 O ATOM 1634 CB ALA A 144 4.676 13.019 1.864 1.00 0.88 C ATOM 0 H ALA A 144 7.778 13.505 1.572 1.00 0.99 H new ATOM 0 HA ALA A 144 6.394 11.813 1.504 1.00 0.77 H new ATOM 0 HB1 ALA A 144 3.969 12.192 1.789 1.00 0.88 H new ATOM 0 HB2 ALA A 144 4.942 13.175 2.909 1.00 0.88 H new ATOM 0 HB3 ALA A 144 4.218 13.925 1.467 1.00 0.88 H new ATOM 1640 N ASP A 145 6.187 11.365 -0.901 1.00 0.59 N ATOM 1641 CA ASP A 145 5.921 10.918 -2.250 1.00 0.87 C ATOM 1642 C ASP A 145 4.908 9.791 -2.191 1.00 0.66 C ATOM 1643 O ASP A 145 5.229 8.657 -2.494 1.00 0.75 O ATOM 1644 CB ASP A 145 7.206 10.469 -2.945 1.00 1.23 C ATOM 1645 CG ASP A 145 7.372 11.099 -4.316 1.00 1.79 C ATOM 1646 OD1 ASP A 145 6.706 10.659 -5.271 1.00 1.99 O ATOM 1647 OD2 ASP A 145 8.179 12.045 -4.448 1.00 2.20 O ATOM 0 H ASP A 145 6.908 10.830 -0.416 1.00 0.59 H new ATOM 0 HA ASP A 145 5.517 11.743 -2.836 1.00 0.87 H new ATOM 0 HB2 ASP A 145 8.062 10.729 -2.323 1.00 1.23 H new ATOM 0 HB3 ASP A 145 7.202 9.384 -3.045 1.00 1.23 H new ATOM 1652 N ASN A 146 3.715 10.146 -1.705 1.00 0.48 N ATOM 1653 CA ASN A 146 2.555 9.243 -1.524 1.00 0.32 C ATOM 1654 C ASN A 146 2.649 8.486 -0.209 1.00 0.25 C ATOM 1655 O ASN A 146 1.997 7.478 0.004 1.00 0.37 O ATOM 1656 CB ASN A 146 2.307 8.295 -2.736 1.00 0.38 C ATOM 1657 CG ASN A 146 2.926 6.888 -2.671 1.00 0.76 C ATOM 1658 OD1 ASN A 146 2.428 5.998 -1.990 1.00 1.69 O ATOM 1659 ND2 ASN A 146 3.964 6.653 -3.452 1.00 0.65 N ATOM 0 H ASN A 146 3.515 11.103 -1.414 1.00 0.48 H new ATOM 0 HA ASN A 146 1.673 9.882 -1.479 1.00 0.32 H new ATOM 0 HB2 ASN A 146 1.230 8.184 -2.862 1.00 0.38 H new ATOM 0 HB3 ASN A 146 2.684 8.788 -3.632 1.00 0.38 H new ATOM 0 HD21 ASN A 146 4.367 5.717 -3.497 1.00 0.65 H new ATOM 0 HD22 ASN A 146 4.363 7.407 -4.010 1.00 0.65 H new ATOM 1666 N ILE A 147 3.409 9.028 0.718 1.00 0.30 N ATOM 1667 CA ILE A 147 3.475 8.451 2.044 1.00 0.34 C ATOM 1668 C ILE A 147 2.648 9.262 3.025 1.00 0.38 C ATOM 1669 O ILE A 147 2.880 10.457 3.214 1.00 0.46 O ATOM 1670 CB ILE A 147 4.920 8.341 2.554 1.00 0.42 C ATOM 1671 CG1 ILE A 147 5.741 7.485 1.592 1.00 0.46 C ATOM 1672 CG2 ILE A 147 4.946 7.755 3.958 1.00 0.49 C ATOM 1673 CD1 ILE A 147 5.184 6.096 1.370 1.00 0.50 C ATOM 0 H ILE A 147 3.985 9.859 0.581 1.00 0.30 H new ATOM 0 HA ILE A 147 3.065 7.444 1.971 1.00 0.34 H new ATOM 0 HB ILE A 147 5.360 9.337 2.599 1.00 0.42 H new ATOM 0 HG12 ILE A 147 5.805 7.997 0.632 1.00 0.46 H new ATOM 0 HG13 ILE A 147 6.758 7.400 1.976 1.00 0.46 H new ATOM 0 HG21 ILE A 147 5.977 7.684 4.304 1.00 0.49 H new ATOM 0 HG22 ILE A 147 4.381 8.399 4.632 1.00 0.49 H new ATOM 0 HG23 ILE A 147 4.498 6.761 3.946 1.00 0.49 H new ATOM 0 HD11 ILE A 147 5.825 5.554 0.675 1.00 0.50 H new ATOM 0 HD12 ILE A 147 5.146 5.563 2.320 1.00 0.50 H new ATOM 0 HD13 ILE A 147 4.179 6.169 0.955 1.00 0.50 H new ATOM 1685 N ARG A 148 1.675 8.606 3.628 1.00 0.36 N ATOM 1686 CA ARG A 148 0.847 9.220 4.649 1.00 0.38 C ATOM 1687 C ARG A 148 1.345 8.805 6.015 1.00 0.36 C ATOM 1688 O ARG A 148 1.456 7.613 6.312 1.00 0.39 O ATOM 1689 CB ARG A 148 -0.616 8.805 4.490 1.00 0.45 C ATOM 1690 CG ARG A 148 -1.232 9.250 3.179 1.00 0.62 C ATOM 1691 CD ARG A 148 -1.187 10.758 3.025 1.00 0.83 C ATOM 1692 NE ARG A 148 -1.603 11.186 1.692 1.00 0.98 N ATOM 1693 CZ ARG A 148 -1.123 12.270 1.080 1.00 1.03 C ATOM 1694 NH1 ARG A 148 -0.299 13.090 1.720 1.00 1.40 N ATOM 1695 NH2 ARG A 148 -1.494 12.555 -0.159 1.00 1.78 N ATOM 0 H ARG A 148 1.436 7.635 3.425 1.00 0.36 H new ATOM 0 HA ARG A 148 0.910 10.303 4.542 1.00 0.38 H new ATOM 0 HB2 ARG A 148 -0.688 7.720 4.566 1.00 0.45 H new ATOM 0 HB3 ARG A 148 -1.195 9.221 5.314 1.00 0.45 H new ATOM 0 HG2 ARG A 148 -0.701 8.783 2.350 1.00 0.62 H new ATOM 0 HG3 ARG A 148 -2.266 8.909 3.128 1.00 0.62 H new ATOM 0 HD2 ARG A 148 -1.834 11.218 3.772 1.00 0.83 H new ATOM 0 HD3 ARG A 148 -0.175 11.112 3.220 1.00 0.83 H new ATOM 0 HE ARG A 148 -2.299 10.625 1.202 1.00 0.98 H new ATOM 0 HH11 ARG A 148 -0.030 12.893 2.684 1.00 1.40 H new ATOM 0 HH12 ARG A 148 0.065 13.918 1.248 1.00 1.40 H new ATOM 0 HH21 ARG A 148 -2.149 11.945 -0.648 1.00 1.78 H new ATOM 0 HH22 ARG A 148 -1.125 13.385 -0.624 1.00 1.78 H new ATOM 1709 N THR A 149 1.677 9.782 6.831 1.00 0.33 N ATOM 1710 CA THR A 149 2.070 9.516 8.195 1.00 0.31 C ATOM 1711 C THR A 149 0.897 8.958 8.967 1.00 0.28 C ATOM 1712 O THR A 149 -0.238 9.194 8.595 1.00 0.29 O ATOM 1713 CB THR A 149 2.567 10.791 8.884 1.00 0.34 C ATOM 1714 OG1 THR A 149 1.664 11.874 8.621 1.00 0.37 O ATOM 1715 CG2 THR A 149 3.958 11.141 8.393 1.00 0.40 C ATOM 0 H THR A 149 1.682 10.769 6.572 1.00 0.33 H new ATOM 0 HA THR A 149 2.883 8.790 8.177 1.00 0.31 H new ATOM 0 HB THR A 149 2.608 10.618 9.959 1.00 0.34 H new ATOM 0 HG1 THR A 149 1.987 12.685 9.066 1.00 0.37 H new ATOM 0 HG21 THR A 149 4.301 12.049 8.889 1.00 0.40 H new ATOM 0 HG22 THR A 149 4.641 10.323 8.621 1.00 0.40 H new ATOM 0 HG23 THR A 149 3.933 11.304 7.315 1.00 0.40 H new ATOM 1723 N LYS A 150 1.158 8.239 10.044 1.00 0.31 N ATOM 1724 CA LYS A 150 0.079 7.695 10.862 1.00 0.34 C ATOM 1725 C LYS A 150 -0.799 8.808 11.401 1.00 0.31 C ATOM 1726 O LYS A 150 -1.959 8.593 11.753 1.00 0.39 O ATOM 1727 CB LYS A 150 0.630 6.867 12.009 1.00 0.41 C ATOM 1728 CG LYS A 150 0.973 5.459 11.601 1.00 0.63 C ATOM 1729 CD LYS A 150 0.603 4.470 12.684 1.00 1.48 C ATOM 1730 CE LYS A 150 -0.881 4.532 13.010 1.00 2.24 C ATOM 1731 NZ LYS A 150 -1.264 3.555 14.060 1.00 3.02 N ATOM 0 H LYS A 150 2.097 8.017 10.374 1.00 0.31 H new ATOM 0 HA LYS A 150 -0.525 7.047 10.227 1.00 0.34 H new ATOM 0 HB2 LYS A 150 1.521 7.353 12.406 1.00 0.41 H new ATOM 0 HB3 LYS A 150 -0.103 6.838 12.815 1.00 0.41 H new ATOM 0 HG2 LYS A 150 0.448 5.207 10.680 1.00 0.63 H new ATOM 0 HG3 LYS A 150 2.040 5.389 11.390 1.00 0.63 H new ATOM 0 HD2 LYS A 150 0.864 3.462 12.363 1.00 1.48 H new ATOM 0 HD3 LYS A 150 1.183 4.679 13.583 1.00 1.48 H new ATOM 0 HE2 LYS A 150 -1.137 5.538 13.341 1.00 2.24 H new ATOM 0 HE3 LYS A 150 -1.459 4.337 12.106 1.00 2.24 H new ATOM 0 HZ1 LYS A 150 -2.283 3.632 14.251 1.00 3.02 H new ATOM 0 HZ2 LYS A 150 -1.044 2.592 13.735 1.00 3.02 H new ATOM 0 HZ3 LYS A 150 -0.733 3.756 14.931 1.00 3.02 H new ATOM 1745 N GLU A 151 -0.240 10.002 11.441 1.00 0.29 N ATOM 1746 CA GLU A 151 -0.972 11.161 11.906 1.00 0.34 C ATOM 1747 C GLU A 151 -1.775 11.782 10.769 1.00 0.36 C ATOM 1748 O GLU A 151 -2.827 12.384 10.995 1.00 0.48 O ATOM 1749 CB GLU A 151 -0.010 12.173 12.528 1.00 0.44 C ATOM 1750 CG GLU A 151 0.821 11.576 13.650 1.00 0.56 C ATOM 1751 CD GLU A 151 1.773 12.564 14.289 1.00 1.01 C ATOM 1752 OE1 GLU A 151 2.858 12.798 13.720 1.00 1.36 O ATOM 1753 OE2 GLU A 151 1.430 13.134 15.346 1.00 1.19 O ATOM 0 H GLU A 151 0.721 10.194 11.156 1.00 0.29 H new ATOM 0 HA GLU A 151 -1.679 10.848 12.674 1.00 0.34 H new ATOM 0 HB2 GLU A 151 0.654 12.560 11.755 1.00 0.44 H new ATOM 0 HB3 GLU A 151 -0.578 13.020 12.913 1.00 0.44 H new ATOM 0 HG2 GLU A 151 0.153 11.181 14.415 1.00 0.56 H new ATOM 0 HG3 GLU A 151 1.392 10.734 13.260 1.00 0.56 H new ATOM 1760 N GLU A 152 -1.286 11.618 9.548 1.00 0.34 N ATOM 1761 CA GLU A 152 -2.007 12.076 8.371 1.00 0.40 C ATOM 1762 C GLU A 152 -3.015 11.037 7.935 1.00 0.40 C ATOM 1763 O GLU A 152 -4.059 11.374 7.397 1.00 0.50 O ATOM 1764 CB GLU A 152 -1.056 12.354 7.217 1.00 0.44 C ATOM 1765 CG GLU A 152 -1.722 13.033 6.034 1.00 0.54 C ATOM 1766 CD GLU A 152 -0.730 13.776 5.163 1.00 0.67 C ATOM 1767 OE1 GLU A 152 0.013 13.113 4.411 1.00 0.83 O ATOM 1768 OE2 GLU A 152 -0.692 15.022 5.215 1.00 0.76 O ATOM 0 H GLU A 152 -0.392 11.170 9.347 1.00 0.34 H new ATOM 0 HA GLU A 152 -2.519 13.000 8.639 1.00 0.40 H new ATOM 0 HB2 GLU A 152 -0.239 12.981 7.573 1.00 0.44 H new ATOM 0 HB3 GLU A 152 -0.615 11.414 6.885 1.00 0.44 H new ATOM 0 HG2 GLU A 152 -2.240 12.285 5.434 1.00 0.54 H new ATOM 0 HG3 GLU A 152 -2.477 13.730 6.396 1.00 0.54 H new ATOM 1775 N ILE A 153 -2.686 9.774 8.159 1.00 0.34 N ATOM 1776 CA ILE A 153 -3.544 8.677 7.763 1.00 0.35 C ATOM 1777 C ILE A 153 -4.958 8.898 8.257 1.00 0.39 C ATOM 1778 O ILE A 153 -5.898 8.868 7.475 1.00 0.43 O ATOM 1779 CB ILE A 153 -3.043 7.306 8.279 1.00 0.35 C ATOM 1780 CG1 ILE A 153 -1.751 6.908 7.566 1.00 0.39 C ATOM 1781 CG2 ILE A 153 -4.109 6.229 8.086 1.00 0.43 C ATOM 1782 CD1 ILE A 153 -1.194 5.576 8.020 1.00 0.47 C ATOM 0 H ILE A 153 -1.822 9.486 8.618 1.00 0.34 H new ATOM 0 HA ILE A 153 -3.523 8.656 6.673 1.00 0.35 H new ATOM 0 HB ILE A 153 -2.840 7.398 9.346 1.00 0.35 H new ATOM 0 HG12 ILE A 153 -1.936 6.868 6.493 1.00 0.39 H new ATOM 0 HG13 ILE A 153 -1.001 7.682 7.732 1.00 0.39 H new ATOM 0 HG21 ILE A 153 -3.734 5.275 8.456 1.00 0.43 H new ATOM 0 HG22 ILE A 153 -5.008 6.504 8.638 1.00 0.43 H new ATOM 0 HG23 ILE A 153 -4.347 6.139 7.026 1.00 0.43 H new ATOM 0 HD11 ILE A 153 -0.277 5.359 7.471 1.00 0.47 H new ATOM 0 HD12 ILE A 153 -0.977 5.617 9.087 1.00 0.47 H new ATOM 0 HD13 ILE A 153 -1.926 4.791 7.829 1.00 0.47 H new ATOM 1794 N LYS A 154 -5.104 9.159 9.552 1.00 0.42 N ATOM 1795 CA LYS A 154 -6.433 9.339 10.124 1.00 0.50 C ATOM 1796 C LYS A 154 -7.107 10.592 9.553 1.00 0.56 C ATOM 1797 O LYS A 154 -8.335 10.666 9.474 1.00 0.64 O ATOM 1798 CB LYS A 154 -6.352 9.395 11.653 1.00 0.57 C ATOM 1799 CG LYS A 154 -7.707 9.466 12.338 1.00 1.42 C ATOM 1800 CD LYS A 154 -7.625 9.142 13.826 1.00 1.77 C ATOM 1801 CE LYS A 154 -7.091 10.303 14.660 1.00 2.57 C ATOM 1802 NZ LYS A 154 -5.662 10.607 14.389 1.00 3.43 N ATOM 0 H LYS A 154 -4.334 9.249 10.215 1.00 0.42 H new ATOM 0 HA LYS A 154 -7.049 8.482 9.850 1.00 0.50 H new ATOM 0 HB2 LYS A 154 -5.820 8.514 12.012 1.00 0.57 H new ATOM 0 HB3 LYS A 154 -5.762 10.264 11.944 1.00 0.57 H new ATOM 0 HG2 LYS A 154 -8.124 10.465 12.209 1.00 1.42 H new ATOM 0 HG3 LYS A 154 -8.392 8.770 11.855 1.00 1.42 H new ATOM 0 HD2 LYS A 154 -8.616 8.868 14.188 1.00 1.77 H new ATOM 0 HD3 LYS A 154 -6.982 8.274 13.968 1.00 1.77 H new ATOM 0 HE2 LYS A 154 -7.690 11.192 14.460 1.00 2.57 H new ATOM 0 HE3 LYS A 154 -7.212 10.069 15.718 1.00 2.57 H new ATOM 0 HZ1 LYS A 154 -5.191 10.879 15.275 1.00 3.43 H new ATOM 0 HZ2 LYS A 154 -5.197 9.765 13.994 1.00 3.43 H new ATOM 0 HZ3 LYS A 154 -5.597 11.390 13.708 1.00 3.43 H new ATOM 1816 N ARG A 155 -6.296 11.560 9.134 1.00 0.54 N ATOM 1817 CA ARG A 155 -6.799 12.732 8.418 1.00 0.63 C ATOM 1818 C ARG A 155 -7.306 12.309 7.045 1.00 0.66 C ATOM 1819 O ARG A 155 -8.363 12.739 6.589 1.00 0.80 O ATOM 1820 CB ARG A 155 -5.704 13.777 8.231 1.00 0.65 C ATOM 1821 CG ARG A 155 -5.025 14.219 9.514 1.00 1.21 C ATOM 1822 CD ARG A 155 -3.968 15.267 9.227 1.00 1.31 C ATOM 1823 NE ARG A 155 -3.098 15.517 10.376 1.00 2.28 N ATOM 1824 CZ ARG A 155 -1.865 16.016 10.280 1.00 2.71 C ATOM 1825 NH1 ARG A 155 -1.374 16.369 9.098 1.00 2.34 N ATOM 1826 NH2 ARG A 155 -1.127 16.174 11.371 1.00 3.70 N ATOM 0 H ARG A 155 -5.286 11.557 9.278 1.00 0.54 H new ATOM 0 HA ARG A 155 -7.605 13.167 9.009 1.00 0.63 H new ATOM 0 HB2 ARG A 155 -4.949 13.375 7.556 1.00 0.65 H new ATOM 0 HB3 ARG A 155 -6.135 14.652 7.744 1.00 0.65 H new ATOM 0 HG2 ARG A 155 -5.767 14.623 10.203 1.00 1.21 H new ATOM 0 HG3 ARG A 155 -4.568 13.359 10.004 1.00 1.21 H new ATOM 0 HD2 ARG A 155 -3.362 14.944 8.380 1.00 1.31 H new ATOM 0 HD3 ARG A 155 -4.454 16.198 8.935 1.00 1.31 H new ATOM 0 HE ARG A 155 -3.455 15.297 11.306 1.00 2.28 H new ATOM 0 HH11 ARG A 155 -1.941 16.259 8.257 1.00 2.34 H new ATOM 0 HH12 ARG A 155 -0.430 16.750 9.031 1.00 2.34 H new ATOM 0 HH21 ARG A 155 -1.503 15.914 12.283 1.00 3.70 H new ATOM 0 HH22 ARG A 155 -0.184 16.556 11.298 1.00 3.70 H new ATOM 1840 N GLN A 156 -6.532 11.445 6.406 1.00 0.58 N ATOM 1841 CA GLN A 156 -6.829 10.948 5.074 1.00 0.70 C ATOM 1842 C GLN A 156 -7.981 9.938 5.102 1.00 0.67 C ATOM 1843 O GLN A 156 -8.488 9.525 4.059 1.00 0.80 O ATOM 1844 CB GLN A 156 -5.573 10.314 4.484 1.00 0.77 C ATOM 1845 CG GLN A 156 -4.434 11.309 4.322 1.00 0.85 C ATOM 1846 CD GLN A 156 -4.701 12.346 3.248 1.00 1.05 C ATOM 1847 OE1 GLN A 156 -5.462 11.973 2.232 1.00 1.88 O flip ATOM 1848 NE2 GLN A 156 -4.221 13.476 3.328 1.00 0.92 N flip ATOM 0 H GLN A 156 -5.672 11.066 6.803 1.00 0.58 H new ATOM 0 HA GLN A 156 -7.144 11.783 4.448 1.00 0.70 H new ATOM 0 HB2 GLN A 156 -5.247 9.497 5.127 1.00 0.77 H new ATOM 0 HB3 GLN A 156 -5.812 9.880 3.513 1.00 0.77 H new ATOM 0 HG2 GLN A 156 -4.262 11.814 5.272 1.00 0.85 H new ATOM 0 HG3 GLN A 156 -3.519 10.769 4.078 1.00 0.85 H new ATOM 0 HE21 GLN A 156 -3.639 13.727 4.127 1.00 0.92 H new ATOM 0 HE22 GLN A 156 -4.405 14.161 2.596 1.00 0.92 H new ATOM 1857 N LYS A 157 -8.377 9.546 6.311 1.00 0.55 N ATOM 1858 CA LYS A 157 -9.487 8.615 6.518 1.00 0.54 C ATOM 1859 C LYS A 157 -10.805 9.366 6.682 1.00 0.62 C ATOM 1860 O LYS A 157 -11.853 8.762 6.903 1.00 0.67 O ATOM 1861 CB LYS A 157 -9.220 7.742 7.737 1.00 0.50 C ATOM 1862 CG LYS A 157 -7.988 6.868 7.580 1.00 0.81 C ATOM 1863 CD LYS A 157 -8.342 5.396 7.573 1.00 1.02 C ATOM 1864 CE LYS A 157 -8.585 4.928 8.986 1.00 0.68 C ATOM 1865 NZ LYS A 157 -9.247 3.599 9.050 1.00 0.90 N ATOM 0 H LYS A 157 -7.938 9.864 7.175 1.00 0.55 H new ATOM 0 HA LYS A 157 -9.567 7.977 5.638 1.00 0.54 H new ATOM 0 HB2 LYS A 157 -9.098 8.378 8.614 1.00 0.50 H new ATOM 0 HB3 LYS A 157 -10.088 7.108 7.921 1.00 0.50 H new ATOM 0 HG2 LYS A 157 -7.477 7.124 6.652 1.00 0.81 H new ATOM 0 HG3 LYS A 157 -7.292 7.071 8.394 1.00 0.81 H new ATOM 0 HD2 LYS A 157 -9.231 5.228 6.966 1.00 1.02 H new ATOM 0 HD3 LYS A 157 -7.534 4.819 7.122 1.00 1.02 H new ATOM 0 HE2 LYS A 157 -7.634 4.880 9.516 1.00 0.68 H new ATOM 0 HE3 LYS A 157 -9.203 5.661 9.505 1.00 0.68 H new ATOM 0 HZ1 LYS A 157 -9.132 3.200 10.003 1.00 0.90 H new ATOM 0 HZ2 LYS A 157 -10.260 3.705 8.838 1.00 0.90 H new ATOM 0 HZ3 LYS A 157 -8.813 2.961 8.353 1.00 0.90 H new ATOM 1879 N GLN A 158 -10.743 10.688 6.613 1.00 0.74 N ATOM 1880 CA GLN A 158 -11.938 11.506 6.657 1.00 0.91 C ATOM 1881 C GLN A 158 -12.554 11.612 5.267 1.00 1.15 C ATOM 1882 O GLN A 158 -13.597 10.971 5.027 1.00 1.78 O ATOM 1883 CB GLN A 158 -11.612 12.892 7.198 1.00 1.18 C ATOM 1884 CG GLN A 158 -11.112 12.887 8.632 1.00 1.48 C ATOM 1885 CD GLN A 158 -10.908 14.283 9.183 1.00 1.88 C ATOM 1886 OE1 GLN A 158 -11.587 15.232 8.782 1.00 2.12 O ATOM 1887 NE2 GLN A 158 -9.973 14.422 10.108 1.00 2.52 N ATOM 0 H GLN A 158 -9.874 11.215 6.526 1.00 0.74 H new ATOM 0 HA GLN A 158 -12.659 11.034 7.324 1.00 0.91 H new ATOM 0 HB2 GLN A 158 -10.857 13.352 6.561 1.00 1.18 H new ATOM 0 HB3 GLN A 158 -12.504 13.515 7.136 1.00 1.18 H new ATOM 0 HG2 GLN A 158 -11.826 12.353 9.260 1.00 1.48 H new ATOM 0 HG3 GLN A 158 -10.171 12.339 8.683 1.00 1.48 H new ATOM 0 HE21 GLN A 158 -9.433 13.612 10.413 1.00 2.52 H new ATOM 0 HE22 GLN A 158 -9.792 15.339 10.517 1.00 2.52 H new