USER MOD reduce.3.24.130724 H: found=0, std=0, add=842, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 844 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 85 THR OG1 : rot 180:sc= -0.179 USER MOD Set 1.2: A 117 THR OG1 : rot 180:sc= -0.503 USER MOD Set 2.1: A 67 CYS SG : rot -55:sc= -0.236 USER MOD Set 2.2: A 71 GLN : amide:sc= -5.08! C(o=-5.3!,f=-6.5!) USER MOD Set 3.1: A 50 ASN :FLIP amide:sc= -0.708 F(o=-3.7,f=0.48) USER MOD Set 3.2: A 52 THR OG1 : rot 84:sc= 1.19 USER MOD Set 4.1: A 46 THR OG1 : rot 136:sc= 0.079 USER MOD Set 4.2: A 55 GLN : amide:sc= 0.0116 K(o=0.091,f=-2.4!) USER MOD Set 5.1: A 43 HIS : no HE2:sc= -2.78! K(o=-3.1!,f=-4) USER MOD Set 5.2: A 45 GLN : amide:sc= -0.314 X(o=-3.1,f=-3) USER MOD Set 6.1: A 21 LYS NZ :NH3+ 160:sc= -0.0442 (180deg=-0.338) USER MOD Set 6.2: A 23 THR OG1 : rot 180:sc= 0 USER MOD Set 7.1: A 16 ASN : amide:sc= -0.298 X(o=-1,f=-1.1) USER MOD Set 7.2: A 93 LYS NZ :NH3+ -133:sc= 0.144 (180deg=0) USER MOD Set 7.3: A 94 TYR OH : rot 15:sc= -0.852 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 SER OG : rot 35:sc= -0.361 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 GLN :FLIP amide:sc= -1.97 F(o=-2.8,f=-2) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot 180:sc= -0.102 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 SER OG : rot -19:sc= 0.397 USER MOD Single : A 80 MET CE :methyl 148:sc= -3.73 (180deg=-5.86!) USER MOD Single : A 87 MET CE :methyl -168:sc= 0 (180deg=-0.119) USER MOD Single : A 89 THR OG1 : rot 47:sc= 0.252 USER MOD Single : A 92 SER OG : rot 120:sc= 0.0129 USER MOD Single : A 95 CYS SG : rot 180:sc= -1.37 USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 105 TYR OH : rot 180:sc= 0 USER MOD Single : A 109 HIS :FLIP no HE2:sc= -0.139 F(o=-0.75,f=-0.14) USER MOD Single : A 113 CYS SG : rot 180:sc= -0.305 USER MOD Single : A 119 LYS NZ :NH3+ 138:sc= -2.05! (180deg=-3.33!) USER MOD Single : A 120 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 120 N LEU A 11 -6.650 -11.691 3.586 1.00 0.00 N ATOM 121 CA LEU A 11 -7.600 -11.729 2.479 1.00 0.00 C ATOM 122 C LEU A 11 -6.873 -11.820 1.141 1.00 0.00 C ATOM 123 O LEU A 11 -5.802 -11.239 0.964 1.00 0.00 O ATOM 124 CB LEU A 11 -8.492 -10.487 2.504 1.00 0.00 C ATOM 125 CG LEU A 11 -9.199 -10.141 1.193 1.00 0.00 C ATOM 126 CD1 LEU A 11 -10.527 -9.453 1.468 1.00 0.00 C ATOM 127 CD2 LEU A 11 -8.311 -9.263 0.324 1.00 0.00 C ATOM 0 HA LEU A 11 -8.221 -12.617 2.596 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -9.249 -10.623 3.276 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -7.883 -9.633 2.801 1.00 0.00 H new ATOM 0 HG LEU A 11 -9.398 -11.067 0.654 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -11.016 -9.214 0.523 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -11.167 -10.116 2.050 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -10.352 -8.534 2.028 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -8.830 -9.027 -0.605 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -8.080 -8.340 0.856 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -7.386 -9.793 0.098 1.00 0.00 H new ATOM 139 N ASP A 12 -7.464 -12.549 0.201 1.00 0.00 N ATOM 140 CA ASP A 12 -6.875 -12.713 -1.123 1.00 0.00 C ATOM 141 C ASP A 12 -7.450 -11.696 -2.103 1.00 0.00 C ATOM 142 O ASP A 12 -8.552 -11.875 -2.623 1.00 0.00 O ATOM 143 CB ASP A 12 -7.118 -14.132 -1.640 1.00 0.00 C ATOM 144 CG ASP A 12 -8.549 -14.587 -1.432 1.00 0.00 C ATOM 145 OD1 ASP A 12 -9.442 -14.077 -2.140 1.00 0.00 O ATOM 146 OD2 ASP A 12 -8.776 -15.453 -0.562 1.00 0.00 O ATOM 0 H ASP A 12 -8.351 -13.036 0.331 1.00 0.00 H new ATOM 0 HA ASP A 12 -5.801 -12.544 -1.040 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -6.877 -14.175 -2.702 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -6.443 -14.821 -1.132 1.00 0.00 H new ATOM 151 N ILE A 13 -6.698 -10.629 -2.350 1.00 0.00 N ATOM 152 CA ILE A 13 -7.133 -9.584 -3.268 1.00 0.00 C ATOM 153 C ILE A 13 -7.217 -10.107 -4.698 1.00 0.00 C ATOM 154 O ILE A 13 -8.167 -9.812 -5.424 1.00 0.00 O ATOM 155 CB ILE A 13 -6.183 -8.372 -3.232 1.00 0.00 C ATOM 156 CG1 ILE A 13 -6.216 -7.711 -1.852 1.00 0.00 C ATOM 157 CG2 ILE A 13 -6.560 -7.371 -4.314 1.00 0.00 C ATOM 158 CD1 ILE A 13 -5.104 -6.708 -1.636 1.00 0.00 C ATOM 0 H ILE A 13 -5.784 -10.465 -1.927 1.00 0.00 H new ATOM 0 HA ILE A 13 -8.124 -9.269 -2.940 1.00 0.00 H new ATOM 0 HB ILE A 13 -5.168 -8.719 -3.424 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -7.176 -7.211 -1.720 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -6.151 -8.484 -1.086 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -5.880 -6.520 -4.276 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -6.490 -7.848 -5.292 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -7.581 -7.026 -4.151 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -5.190 -6.279 -0.637 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -4.140 -7.207 -1.735 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -5.180 -5.914 -2.379 1.00 0.00 H new ATOM 170 N LEU A 14 -6.218 -10.888 -5.096 1.00 0.00 N ATOM 171 CA LEU A 14 -6.180 -11.455 -6.439 1.00 0.00 C ATOM 172 C LEU A 14 -6.754 -12.868 -6.449 1.00 0.00 C ATOM 173 O LEU A 14 -7.317 -13.313 -7.449 1.00 0.00 O ATOM 174 CB LEU A 14 -4.744 -11.472 -6.965 1.00 0.00 C ATOM 175 CG LEU A 14 -4.054 -10.112 -7.077 1.00 0.00 C ATOM 176 CD1 LEU A 14 -2.545 -10.284 -7.166 1.00 0.00 C ATOM 177 CD2 LEU A 14 -4.577 -9.346 -8.283 1.00 0.00 C ATOM 0 H LEU A 14 -5.424 -11.143 -4.508 1.00 0.00 H new ATOM 0 HA LEU A 14 -6.792 -10.829 -7.089 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -4.146 -12.107 -6.311 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -4.745 -11.939 -7.950 1.00 0.00 H new ATOM 0 HG LEU A 14 -4.281 -9.536 -6.180 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -2.071 -9.306 -7.245 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -2.183 -10.791 -6.272 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -2.298 -10.879 -8.045 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -4.075 -8.381 -8.347 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -4.381 -9.918 -9.190 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -5.651 -9.190 -8.177 1.00 0.00 H new ATOM 189 N GLY A 15 -6.609 -13.569 -5.329 1.00 0.00 N ATOM 190 CA GLY A 15 -7.120 -14.924 -5.230 1.00 0.00 C ATOM 191 C GLY A 15 -6.014 -15.961 -5.213 1.00 0.00 C ATOM 192 O GLY A 15 -6.164 -17.028 -4.620 1.00 0.00 O ATOM 0 H GLY A 15 -6.147 -13.223 -4.488 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -7.717 -15.019 -4.323 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -7.785 -15.121 -6.071 1.00 0.00 H new ATOM 196 N ASN A 16 -4.901 -15.648 -5.868 1.00 0.00 N ATOM 197 CA ASN A 16 -3.766 -16.562 -5.928 1.00 0.00 C ATOM 198 C ASN A 16 -3.203 -16.822 -4.534 1.00 0.00 C ATOM 199 O ASN A 16 -3.000 -17.969 -4.139 1.00 0.00 O ATOM 200 CB ASN A 16 -2.673 -15.992 -6.834 1.00 0.00 C ATOM 201 CG ASN A 16 -3.239 -15.310 -8.065 1.00 0.00 C ATOM 202 OD1 ASN A 16 -4.103 -15.858 -8.750 1.00 0.00 O ATOM 203 ND2 ASN A 16 -2.753 -14.108 -8.351 1.00 0.00 N ATOM 0 H ASN A 16 -4.761 -14.768 -6.365 1.00 0.00 H new ATOM 0 HA ASN A 16 -4.114 -17.508 -6.342 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -2.073 -15.278 -6.270 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -2.005 -16.796 -7.142 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -3.095 -13.600 -9.167 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -2.037 -13.692 -7.755 1.00 0.00 H new ATOM 210 N GLY A 17 -2.953 -15.747 -3.793 1.00 0.00 N ATOM 211 CA GLY A 17 -2.416 -15.879 -2.451 1.00 0.00 C ATOM 212 C GLY A 17 -1.236 -14.960 -2.205 1.00 0.00 C ATOM 213 O GLY A 17 -0.809 -14.777 -1.065 1.00 0.00 O ATOM 0 H GLY A 17 -3.113 -14.787 -4.098 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -3.200 -15.660 -1.726 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -2.109 -16.912 -2.286 1.00 0.00 H new ATOM 217 N LEU A 18 -0.707 -14.379 -3.277 1.00 0.00 N ATOM 218 CA LEU A 18 0.432 -13.474 -3.173 1.00 0.00 C ATOM 219 C LEU A 18 0.016 -12.144 -2.553 1.00 0.00 C ATOM 220 O LEU A 18 0.427 -11.809 -1.441 1.00 0.00 O ATOM 221 CB LEU A 18 1.048 -13.237 -4.553 1.00 0.00 C ATOM 222 CG LEU A 18 1.875 -14.388 -5.126 1.00 0.00 C ATOM 223 CD1 LEU A 18 2.653 -15.088 -4.023 1.00 0.00 C ATOM 224 CD2 LEU A 18 0.978 -15.376 -5.858 1.00 0.00 C ATOM 0 H LEU A 18 -1.049 -14.519 -4.228 1.00 0.00 H new ATOM 0 HA LEU A 18 1.176 -13.938 -2.525 1.00 0.00 H new ATOM 0 HB2 LEU A 18 0.244 -13.010 -5.253 1.00 0.00 H new ATOM 0 HB3 LEU A 18 1.682 -12.352 -4.498 1.00 0.00 H new ATOM 0 HG LEU A 18 2.588 -13.977 -5.840 1.00 0.00 H new ATOM 0 HD11 LEU A 18 3.235 -15.904 -4.450 1.00 0.00 H new ATOM 0 HD12 LEU A 18 3.324 -14.376 -3.543 1.00 0.00 H new ATOM 0 HD13 LEU A 18 1.958 -15.486 -3.284 1.00 0.00 H new ATOM 0 HD21 LEU A 18 1.583 -16.189 -6.259 1.00 0.00 H new ATOM 0 HD22 LEU A 18 0.241 -15.781 -5.165 1.00 0.00 H new ATOM 0 HD23 LEU A 18 0.467 -14.867 -6.675 1.00 0.00 H new ATOM 236 N LEU A 19 -0.803 -11.390 -3.278 1.00 0.00 N ATOM 237 CA LEU A 19 -1.277 -10.097 -2.799 1.00 0.00 C ATOM 238 C LEU A 19 -2.352 -10.273 -1.731 1.00 0.00 C ATOM 239 O LEU A 19 -3.492 -10.622 -2.035 1.00 0.00 O ATOM 240 CB LEU A 19 -1.829 -9.271 -3.962 1.00 0.00 C ATOM 241 CG LEU A 19 -2.444 -7.920 -3.594 1.00 0.00 C ATOM 242 CD1 LEU A 19 -1.421 -7.042 -2.888 1.00 0.00 C ATOM 243 CD2 LEU A 19 -2.982 -7.223 -4.835 1.00 0.00 C ATOM 0 H LEU A 19 -1.152 -11.652 -4.200 1.00 0.00 H new ATOM 0 HA LEU A 19 -0.432 -9.570 -2.356 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -1.022 -9.098 -4.674 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -2.586 -9.864 -4.476 1.00 0.00 H new ATOM 0 HG LEU A 19 -3.275 -8.095 -2.911 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -1.877 -6.085 -2.634 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -1.084 -7.537 -1.977 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -0.569 -6.875 -3.547 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -3.416 -6.263 -4.554 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -2.169 -7.060 -5.542 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -3.747 -7.845 -5.299 1.00 0.00 H new ATOM 255 N ARG A 20 -1.981 -10.026 -0.479 1.00 0.00 N ATOM 256 CA ARG A 20 -2.913 -10.156 0.634 1.00 0.00 C ATOM 257 C ARG A 20 -3.187 -8.799 1.276 1.00 0.00 C ATOM 258 O ARG A 20 -2.496 -7.818 0.999 1.00 0.00 O ATOM 259 CB ARG A 20 -2.360 -11.125 1.681 1.00 0.00 C ATOM 260 CG ARG A 20 -2.074 -12.514 1.134 1.00 0.00 C ATOM 261 CD ARG A 20 -0.933 -13.184 1.883 1.00 0.00 C ATOM 262 NE ARG A 20 -1.372 -13.755 3.153 1.00 0.00 N ATOM 263 CZ ARG A 20 -2.076 -14.877 3.250 1.00 0.00 C ATOM 264 NH1 ARG A 20 -2.419 -15.545 2.158 1.00 0.00 N ATOM 265 NH2 ARG A 20 -2.439 -15.333 4.443 1.00 0.00 N ATOM 0 H ARG A 20 -1.041 -9.735 -0.210 1.00 0.00 H new ATOM 0 HA ARG A 20 -3.851 -10.550 0.244 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -1.441 -10.711 2.097 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -3.073 -11.206 2.501 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -2.971 -13.128 1.211 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -1.825 -12.445 0.075 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -0.504 -13.970 1.262 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -0.143 -12.456 2.067 1.00 0.00 H new ATOM 0 HE ARG A 20 -1.124 -13.265 4.013 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -2.142 -15.198 1.240 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -2.960 -16.406 2.236 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -2.177 -14.822 5.286 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -2.980 -16.195 4.517 1.00 0.00 H new ATOM 279 N LYS A 21 -4.199 -8.750 2.136 1.00 0.00 N ATOM 280 CA LYS A 21 -4.564 -7.514 2.818 1.00 0.00 C ATOM 281 C LYS A 21 -5.004 -7.795 4.252 1.00 0.00 C ATOM 282 O LYS A 21 -5.791 -8.707 4.504 1.00 0.00 O ATOM 283 CB LYS A 21 -5.685 -6.801 2.060 1.00 0.00 C ATOM 284 CG LYS A 21 -5.898 -5.363 2.500 1.00 0.00 C ATOM 285 CD LYS A 21 -7.032 -4.706 1.731 1.00 0.00 C ATOM 286 CE LYS A 21 -8.390 -5.180 2.226 1.00 0.00 C ATOM 287 NZ LYS A 21 -8.664 -4.721 3.616 1.00 0.00 N ATOM 0 H LYS A 21 -4.781 -9.552 2.377 1.00 0.00 H new ATOM 0 HA LYS A 21 -3.685 -6.869 2.845 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -5.458 -6.816 0.994 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -6.614 -7.355 2.196 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -6.118 -5.337 3.567 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -4.979 -4.796 2.350 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -6.964 -3.623 1.835 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -6.932 -4.932 0.669 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -9.169 -4.808 1.560 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -8.431 -6.269 2.188 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -9.687 -4.758 3.798 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -8.170 -5.340 4.290 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -8.327 -3.744 3.732 1.00 0.00 H new ATOM 301 N LYS A 22 -4.492 -7.003 5.188 1.00 0.00 N ATOM 302 CA LYS A 22 -4.833 -7.163 6.597 1.00 0.00 C ATOM 303 C LYS A 22 -5.205 -5.823 7.222 1.00 0.00 C ATOM 304 O LYS A 22 -4.334 -5.043 7.609 1.00 0.00 O ATOM 305 CB LYS A 22 -3.662 -7.786 7.359 1.00 0.00 C ATOM 306 CG LYS A 22 -3.880 -7.853 8.861 1.00 0.00 C ATOM 307 CD LYS A 22 -2.719 -8.537 9.563 1.00 0.00 C ATOM 308 CE LYS A 22 -1.622 -7.546 9.920 1.00 0.00 C ATOM 309 NZ LYS A 22 -0.446 -8.220 10.539 1.00 0.00 N ATOM 0 H LYS A 22 -3.839 -6.243 4.996 1.00 0.00 H new ATOM 0 HA LYS A 22 -5.695 -7.827 6.663 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -3.488 -8.793 6.980 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -2.760 -7.209 7.157 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -4.003 -6.845 9.257 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -4.803 -8.393 9.072 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -3.077 -9.027 10.469 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -2.311 -9.316 8.919 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -1.306 -7.015 9.022 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -2.017 -6.799 10.609 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 0.280 -7.511 10.768 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -0.743 -8.705 11.410 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -0.053 -8.915 9.872 1.00 0.00 H new ATOM 323 N THR A 23 -6.505 -5.561 7.321 1.00 0.00 N ATOM 324 CA THR A 23 -6.992 -4.315 7.900 1.00 0.00 C ATOM 325 C THR A 23 -6.505 -4.148 9.334 1.00 0.00 C ATOM 326 O THR A 23 -7.023 -4.782 10.255 1.00 0.00 O ATOM 327 CB THR A 23 -8.531 -4.251 7.882 1.00 0.00 C ATOM 328 OG1 THR A 23 -9.007 -4.298 6.532 1.00 0.00 O ATOM 329 CG2 THR A 23 -9.028 -2.982 8.557 1.00 0.00 C ATOM 0 H THR A 23 -7.239 -6.196 7.007 1.00 0.00 H new ATOM 0 HA THR A 23 -6.595 -3.506 7.288 1.00 0.00 H new ATOM 0 HB THR A 23 -8.915 -5.110 8.432 1.00 0.00 H new ATOM 0 HG1 THR A 23 -9.986 -4.259 6.529 1.00 0.00 H new ATOM 0 HG21 THR A 23 -10.117 -2.959 8.532 1.00 0.00 H new ATOM 0 HG22 THR A 23 -8.688 -2.964 9.593 1.00 0.00 H new ATOM 0 HG23 THR A 23 -8.635 -2.112 8.031 1.00 0.00 H new ATOM 337 N LEU A 24 -5.506 -3.292 9.519 1.00 0.00 N ATOM 338 CA LEU A 24 -4.949 -3.041 10.844 1.00 0.00 C ATOM 339 C LEU A 24 -5.890 -2.177 11.676 1.00 0.00 C ATOM 340 O LEU A 24 -6.124 -2.451 12.853 1.00 0.00 O ATOM 341 CB LEU A 24 -3.585 -2.359 10.724 1.00 0.00 C ATOM 342 CG LEU A 24 -2.540 -3.091 9.881 1.00 0.00 C ATOM 343 CD1 LEU A 24 -1.351 -2.186 9.600 1.00 0.00 C ATOM 344 CD2 LEU A 24 -2.089 -4.365 10.580 1.00 0.00 C ATOM 0 H LEU A 24 -5.065 -2.760 8.769 1.00 0.00 H new ATOM 0 HA LEU A 24 -4.827 -4.000 11.347 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -3.734 -1.366 10.300 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -3.181 -2.220 11.727 1.00 0.00 H new ATOM 0 HG LEU A 24 -2.995 -3.364 8.929 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -0.618 -2.724 8.999 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -1.687 -1.302 9.057 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -0.895 -1.882 10.542 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -1.345 -4.873 9.966 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -1.652 -4.114 11.546 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -2.946 -5.021 10.729 1.00 0.00 H new ATOM 356 N VAL A 25 -6.430 -1.132 11.056 1.00 0.00 N ATOM 357 CA VAL A 25 -7.350 -0.229 11.738 1.00 0.00 C ATOM 358 C VAL A 25 -8.505 0.169 10.827 1.00 0.00 C ATOM 359 O VAL A 25 -8.337 0.910 9.857 1.00 0.00 O ATOM 360 CB VAL A 25 -6.630 1.043 12.223 1.00 0.00 C ATOM 361 CG1 VAL A 25 -7.618 2.000 12.872 1.00 0.00 C ATOM 362 CG2 VAL A 25 -5.509 0.686 13.187 1.00 0.00 C ATOM 0 H VAL A 25 -6.246 -0.890 10.082 1.00 0.00 H new ATOM 0 HA VAL A 25 -7.742 -0.767 12.601 1.00 0.00 H new ATOM 0 HB VAL A 25 -6.190 1.542 11.360 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -7.092 2.893 13.209 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -8.382 2.281 12.147 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -8.089 1.513 13.726 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -5.011 1.597 13.519 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -5.923 0.163 14.049 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -4.788 0.041 12.684 1.00 0.00 H new ATOM 372 N PRO A 26 -9.709 -0.331 11.144 1.00 0.00 N ATOM 373 CA PRO A 26 -10.917 -0.040 10.367 1.00 0.00 C ATOM 374 C PRO A 26 -11.370 1.408 10.521 1.00 0.00 C ATOM 375 O PRO A 26 -11.138 2.035 11.553 1.00 0.00 O ATOM 376 CB PRO A 26 -11.959 -0.991 10.960 1.00 0.00 C ATOM 377 CG PRO A 26 -11.485 -1.254 12.348 1.00 0.00 C ATOM 378 CD PRO A 26 -9.982 -1.220 12.286 1.00 0.00 C ATOM 0 HA PRO A 26 -10.756 -0.176 9.298 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -12.952 -0.541 10.959 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -12.027 -1.913 10.383 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -11.864 -0.501 13.039 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -11.839 -2.221 12.705 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -9.550 -0.833 13.209 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -9.563 -2.214 12.131 1.00 0.00 H new ATOM 386 N GLY A 27 -12.018 1.934 9.486 1.00 0.00 N ATOM 387 CA GLY A 27 -12.494 3.305 9.527 1.00 0.00 C ATOM 388 C GLY A 27 -13.892 3.416 10.102 1.00 0.00 C ATOM 389 O GLY A 27 -14.526 2.419 10.448 1.00 0.00 O ATOM 0 H GLY A 27 -12.222 1.435 8.620 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -11.810 3.906 10.125 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -12.485 3.720 8.519 1.00 0.00 H new ATOM 393 N PRO A 28 -14.393 4.656 10.212 1.00 0.00 N ATOM 394 CA PRO A 28 -15.730 4.923 10.750 1.00 0.00 C ATOM 395 C PRO A 28 -16.837 4.453 9.813 1.00 0.00 C ATOM 396 O PRO A 28 -16.601 4.118 8.652 1.00 0.00 O ATOM 397 CB PRO A 28 -15.758 6.448 10.889 1.00 0.00 C ATOM 398 CG PRO A 28 -14.772 6.937 9.886 1.00 0.00 C ATOM 399 CD PRO A 28 -13.694 5.890 9.820 1.00 0.00 C ATOM 0 HA PRO A 28 -15.906 4.392 11.686 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -16.754 6.845 10.692 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -15.485 6.759 11.897 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -15.242 7.075 8.912 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -14.361 7.902 10.181 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -13.271 5.811 8.819 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -12.871 6.118 10.497 1.00 0.00 H new ATOM 407 N PRO A 29 -18.077 4.428 10.326 1.00 0.00 N ATOM 408 CA PRO A 29 -19.245 4.001 9.551 1.00 0.00 C ATOM 409 C PRO A 29 -19.612 5.000 8.458 1.00 0.00 C ATOM 410 O PRO A 29 -20.479 4.734 7.627 1.00 0.00 O ATOM 411 CB PRO A 29 -20.358 3.923 10.600 1.00 0.00 C ATOM 412 CG PRO A 29 -19.935 4.868 11.671 1.00 0.00 C ATOM 413 CD PRO A 29 -18.432 4.813 11.702 1.00 0.00 C ATOM 0 HA PRO A 29 -19.066 3.061 9.029 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -21.321 4.209 10.177 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -20.468 2.910 10.987 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -20.284 5.879 11.460 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -20.356 4.580 12.634 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -18.000 5.776 11.974 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -18.071 4.085 12.429 1.00 0.00 H new ATOM 421 N GLY A 30 -18.946 6.151 8.467 1.00 0.00 N ATOM 422 CA GLY A 30 -19.217 7.171 7.471 1.00 0.00 C ATOM 423 C GLY A 30 -18.307 7.060 6.264 1.00 0.00 C ATOM 424 O GLY A 30 -18.767 7.122 5.124 1.00 0.00 O ATOM 0 H GLY A 30 -18.225 6.395 9.146 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -20.255 7.092 7.148 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -19.098 8.156 7.923 1.00 0.00 H new ATOM 428 N SER A 31 -17.012 6.896 6.514 1.00 0.00 N ATOM 429 CA SER A 31 -16.034 6.782 5.439 1.00 0.00 C ATOM 430 C SER A 31 -16.526 5.824 4.357 1.00 0.00 C ATOM 431 O SER A 31 -17.518 5.120 4.541 1.00 0.00 O ATOM 432 CB SER A 31 -14.691 6.299 5.991 1.00 0.00 C ATOM 433 OG SER A 31 -14.875 5.474 7.129 1.00 0.00 O ATOM 0 H SER A 31 -16.616 6.839 7.452 1.00 0.00 H new ATOM 0 HA SER A 31 -15.902 7.769 4.995 1.00 0.00 H new ATOM 0 HB2 SER A 31 -14.155 5.746 5.220 1.00 0.00 H new ATOM 0 HB3 SER A 31 -14.073 7.157 6.256 1.00 0.00 H new ATOM 0 HG SER A 31 -15.695 4.948 7.023 1.00 0.00 H new ATOM 439 N SER A 32 -15.824 5.805 3.229 1.00 0.00 N ATOM 440 CA SER A 32 -16.190 4.938 2.115 1.00 0.00 C ATOM 441 C SER A 32 -15.077 4.893 1.073 1.00 0.00 C ATOM 442 O SER A 32 -14.399 5.891 0.829 1.00 0.00 O ATOM 443 CB SER A 32 -17.489 5.423 1.469 1.00 0.00 C ATOM 444 OG SER A 32 -17.485 6.831 1.310 1.00 0.00 O ATOM 0 H SER A 32 -14.998 6.380 3.062 1.00 0.00 H new ATOM 0 HA SER A 32 -16.340 3.931 2.505 1.00 0.00 H new ATOM 0 HB2 SER A 32 -17.617 4.945 0.498 1.00 0.00 H new ATOM 0 HB3 SER A 32 -18.338 5.126 2.085 1.00 0.00 H new ATOM 0 HG SER A 32 -18.325 7.116 0.894 1.00 0.00 H new ATOM 450 N ARG A 33 -14.895 3.727 0.461 1.00 0.00 N ATOM 451 CA ARG A 33 -13.864 3.550 -0.555 1.00 0.00 C ATOM 452 C ARG A 33 -13.906 4.683 -1.576 1.00 0.00 C ATOM 453 O ARG A 33 -14.972 5.125 -2.005 1.00 0.00 O ATOM 454 CB ARG A 33 -14.040 2.205 -1.262 1.00 0.00 C ATOM 455 CG ARG A 33 -14.069 1.018 -0.313 1.00 0.00 C ATOM 456 CD ARG A 33 -13.592 -0.254 -0.997 1.00 0.00 C ATOM 457 NE ARG A 33 -14.215 -1.447 -0.431 1.00 0.00 N ATOM 458 CZ ARG A 33 -15.467 -1.812 -0.683 1.00 0.00 C ATOM 459 NH1 ARG A 33 -16.226 -1.081 -1.488 1.00 0.00 N ATOM 460 NH2 ARG A 33 -15.963 -2.912 -0.130 1.00 0.00 N ATOM 0 H ARG A 33 -15.448 2.891 0.651 1.00 0.00 H new ATOM 0 HA ARG A 33 -12.894 3.567 -0.059 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -14.967 2.224 -1.835 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -13.227 2.070 -1.975 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -13.438 1.226 0.551 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -15.083 0.874 0.060 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -13.816 -0.199 -2.062 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -12.509 -0.332 -0.903 1.00 0.00 H new ATOM 0 HE ARG A 33 -13.658 -2.032 0.192 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -15.849 -0.235 -1.916 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -17.187 -1.364 -1.679 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -15.383 -3.478 0.489 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -16.925 -3.191 -0.324 1.00 0.00 H new ATOM 474 N PRO A 34 -12.720 5.165 -1.974 1.00 0.00 N ATOM 475 CA PRO A 34 -12.594 6.253 -2.950 1.00 0.00 C ATOM 476 C PRO A 34 -13.001 5.821 -4.354 1.00 0.00 C ATOM 477 O PRO A 34 -13.573 4.748 -4.544 1.00 0.00 O ATOM 478 CB PRO A 34 -11.103 6.597 -2.907 1.00 0.00 C ATOM 479 CG PRO A 34 -10.439 5.347 -2.444 1.00 0.00 C ATOM 480 CD PRO A 34 -11.409 4.686 -1.504 1.00 0.00 C ATOM 0 HA PRO A 34 -13.246 7.093 -2.711 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -10.738 6.899 -3.889 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -10.907 7.425 -2.226 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -10.205 4.695 -3.285 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -9.498 5.568 -1.941 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -11.338 3.599 -1.552 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -11.224 4.973 -0.469 1.00 0.00 H new ATOM 488 N VAL A 35 -12.703 6.665 -5.337 1.00 0.00 N ATOM 489 CA VAL A 35 -13.036 6.370 -6.726 1.00 0.00 C ATOM 490 C VAL A 35 -11.778 6.194 -7.568 1.00 0.00 C ATOM 491 O VAL A 35 -10.708 6.692 -7.217 1.00 0.00 O ATOM 492 CB VAL A 35 -13.903 7.484 -7.344 1.00 0.00 C ATOM 493 CG1 VAL A 35 -13.400 8.853 -6.912 1.00 0.00 C ATOM 494 CG2 VAL A 35 -13.919 7.366 -8.860 1.00 0.00 C ATOM 0 H VAL A 35 -12.232 7.559 -5.197 1.00 0.00 H new ATOM 0 HA VAL A 35 -13.601 5.438 -6.725 1.00 0.00 H new ATOM 0 HB VAL A 35 -14.925 7.369 -6.983 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -14.024 9.627 -7.358 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -13.445 8.931 -5.826 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -12.369 8.983 -7.242 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -14.536 8.160 -9.280 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -12.902 7.455 -9.243 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -14.330 6.398 -9.145 1.00 0.00 H new ATOM 504 N LYS A 36 -11.913 5.482 -8.682 1.00 0.00 N ATOM 505 CA LYS A 36 -10.788 5.241 -9.577 1.00 0.00 C ATOM 506 C LYS A 36 -10.631 6.384 -10.574 1.00 0.00 C ATOM 507 O LYS A 36 -11.498 6.609 -11.417 1.00 0.00 O ATOM 508 CB LYS A 36 -10.979 3.920 -10.325 1.00 0.00 C ATOM 509 CG LYS A 36 -10.029 3.741 -11.497 1.00 0.00 C ATOM 510 CD LYS A 36 -10.372 2.504 -12.310 1.00 0.00 C ATOM 511 CE LYS A 36 -9.993 2.676 -13.773 1.00 0.00 C ATOM 512 NZ LYS A 36 -10.843 1.842 -14.668 1.00 0.00 N ATOM 0 H LYS A 36 -12.791 5.062 -8.986 1.00 0.00 H new ATOM 0 HA LYS A 36 -9.882 5.182 -8.974 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -10.841 3.094 -9.627 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -12.005 3.863 -10.688 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -10.071 4.622 -12.138 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -9.006 3.663 -11.129 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -9.851 1.640 -11.897 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -11.440 2.300 -12.231 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -10.091 3.725 -14.053 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -8.946 2.406 -13.911 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -10.553 1.987 -15.656 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -10.730 0.839 -14.418 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -11.840 2.117 -14.555 1.00 0.00 H new ATOM 526 N GLY A 37 -9.516 7.103 -10.473 1.00 0.00 N ATOM 527 CA GLY A 37 -9.266 8.213 -11.374 1.00 0.00 C ATOM 528 C GLY A 37 -9.150 9.537 -10.644 1.00 0.00 C ATOM 529 O GLY A 37 -9.199 10.600 -11.263 1.00 0.00 O ATOM 0 H GLY A 37 -8.783 6.936 -9.784 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -8.347 8.026 -11.930 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -10.073 8.273 -12.104 1.00 0.00 H new ATOM 533 N GLN A 38 -8.999 9.472 -9.325 1.00 0.00 N ATOM 534 CA GLN A 38 -8.879 10.676 -8.511 1.00 0.00 C ATOM 535 C GLN A 38 -7.538 10.711 -7.786 1.00 0.00 C ATOM 536 O GLN A 38 -6.748 9.771 -7.874 1.00 0.00 O ATOM 537 CB GLN A 38 -10.022 10.747 -7.497 1.00 0.00 C ATOM 538 CG GLN A 38 -11.382 10.992 -8.130 1.00 0.00 C ATOM 539 CD GLN A 38 -12.354 11.668 -7.183 1.00 0.00 C ATOM 540 OE1 GLN A 38 -12.104 11.538 -5.885 1.00 0.00 O flip ATOM 541 NE2 GLN A 38 -13.319 12.301 -7.612 1.00 0.00 N flip ATOM 0 H GLN A 38 -8.957 8.600 -8.798 1.00 0.00 H new ATOM 0 HA GLN A 38 -8.936 11.540 -9.174 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -10.055 9.814 -6.934 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -9.814 11.544 -6.783 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -11.258 11.610 -9.019 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -11.802 10.041 -8.458 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -13.474 12.376 -8.617 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -13.964 12.751 -6.962 1.00 0.00 H new ATOM 550 N VAL A 39 -7.286 11.802 -7.069 1.00 0.00 N ATOM 551 CA VAL A 39 -6.040 11.960 -6.328 1.00 0.00 C ATOM 552 C VAL A 39 -6.143 11.335 -4.942 1.00 0.00 C ATOM 553 O VAL A 39 -6.834 11.853 -4.064 1.00 0.00 O ATOM 554 CB VAL A 39 -5.658 13.445 -6.183 1.00 0.00 C ATOM 555 CG1 VAL A 39 -4.552 13.613 -5.152 1.00 0.00 C ATOM 556 CG2 VAL A 39 -5.238 14.020 -7.527 1.00 0.00 C ATOM 0 H VAL A 39 -7.929 12.590 -6.986 1.00 0.00 H new ATOM 0 HA VAL A 39 -5.265 11.447 -6.898 1.00 0.00 H new ATOM 0 HB VAL A 39 -6.532 13.996 -5.836 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -4.295 14.669 -5.063 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -4.895 13.240 -4.187 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -3.673 13.051 -5.467 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -4.971 15.070 -7.406 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -4.378 13.468 -7.906 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -6.064 13.934 -8.233 1.00 0.00 H new ATOM 566 N VAL A 40 -5.450 10.217 -4.750 1.00 0.00 N ATOM 567 CA VAL A 40 -5.461 9.521 -3.468 1.00 0.00 C ATOM 568 C VAL A 40 -4.139 9.703 -2.732 1.00 0.00 C ATOM 569 O VAL A 40 -3.065 9.507 -3.303 1.00 0.00 O ATOM 570 CB VAL A 40 -5.732 8.015 -3.650 1.00 0.00 C ATOM 571 CG1 VAL A 40 -7.224 7.728 -3.578 1.00 0.00 C ATOM 572 CG2 VAL A 40 -5.149 7.525 -4.967 1.00 0.00 C ATOM 0 H VAL A 40 -4.874 9.774 -5.466 1.00 0.00 H new ATOM 0 HA VAL A 40 -6.265 9.959 -2.877 1.00 0.00 H new ATOM 0 HB VAL A 40 -5.244 7.475 -2.839 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -7.396 6.660 -3.709 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -7.608 8.041 -2.607 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -7.739 8.277 -4.366 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -5.349 6.459 -5.080 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -5.607 8.070 -5.793 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -4.072 7.694 -4.974 1.00 0.00 H new ATOM 582 N THR A 41 -4.223 10.080 -1.460 1.00 0.00 N ATOM 583 CA THR A 41 -3.033 10.289 -0.645 1.00 0.00 C ATOM 584 C THR A 41 -3.025 9.361 0.564 1.00 0.00 C ATOM 585 O THR A 41 -3.916 9.421 1.412 1.00 0.00 O ATOM 586 CB THR A 41 -2.935 11.748 -0.159 1.00 0.00 C ATOM 587 OG1 THR A 41 -3.093 12.644 -1.265 1.00 0.00 O ATOM 588 CG2 THR A 41 -1.598 12.003 0.520 1.00 0.00 C ATOM 0 H THR A 41 -5.103 10.247 -0.972 1.00 0.00 H new ATOM 0 HA THR A 41 -2.173 10.065 -1.277 1.00 0.00 H new ATOM 0 HB THR A 41 -3.731 11.921 0.565 1.00 0.00 H new ATOM 0 HG1 THR A 41 -3.031 13.569 -0.948 1.00 0.00 H new ATOM 0 HG21 THR A 41 -1.552 13.039 0.855 1.00 0.00 H new ATOM 0 HG22 THR A 41 -1.493 11.339 1.378 1.00 0.00 H new ATOM 0 HG23 THR A 41 -0.789 11.813 -0.186 1.00 0.00 H new ATOM 596 N VAL A 42 -2.012 8.504 0.639 1.00 0.00 N ATOM 597 CA VAL A 42 -1.887 7.564 1.747 1.00 0.00 C ATOM 598 C VAL A 42 -0.445 7.478 2.234 1.00 0.00 C ATOM 599 O VAL A 42 0.455 8.087 1.655 1.00 0.00 O ATOM 600 CB VAL A 42 -2.366 6.156 1.345 1.00 0.00 C ATOM 601 CG1 VAL A 42 -3.605 6.244 0.468 1.00 0.00 C ATOM 602 CG2 VAL A 42 -1.254 5.397 0.637 1.00 0.00 C ATOM 0 H VAL A 42 -1.266 8.441 -0.054 1.00 0.00 H new ATOM 0 HA VAL A 42 -2.518 7.938 2.553 1.00 0.00 H new ATOM 0 HB VAL A 42 -2.629 5.608 2.250 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -3.929 5.240 0.194 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -4.403 6.746 1.015 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -3.373 6.809 -0.435 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -1.610 4.405 0.360 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -0.957 5.940 -0.261 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -0.397 5.302 1.303 1.00 0.00 H new ATOM 612 N HIS A 43 -0.231 6.717 3.303 1.00 0.00 N ATOM 613 CA HIS A 43 1.103 6.550 3.869 1.00 0.00 C ATOM 614 C HIS A 43 1.566 5.101 3.750 1.00 0.00 C ATOM 615 O HIS A 43 1.021 4.209 4.401 1.00 0.00 O ATOM 616 CB HIS A 43 1.116 6.983 5.335 1.00 0.00 C ATOM 617 CG HIS A 43 2.465 6.884 5.977 1.00 0.00 C ATOM 618 ND1 HIS A 43 2.940 7.813 6.879 1.00 0.00 N ATOM 619 CD2 HIS A 43 3.443 5.957 5.844 1.00 0.00 C ATOM 620 CE1 HIS A 43 4.151 7.462 7.272 1.00 0.00 C ATOM 621 NE2 HIS A 43 4.480 6.339 6.659 1.00 0.00 N ATOM 0 H HIS A 43 -0.964 6.206 3.795 1.00 0.00 H new ATOM 0 HA HIS A 43 1.791 7.180 3.306 1.00 0.00 H new ATOM 0 HB2 HIS A 43 0.765 8.012 5.404 1.00 0.00 H new ATOM 0 HB3 HIS A 43 0.411 6.367 5.893 1.00 0.00 H new ATOM 0 HD1 HIS A 43 2.435 8.642 7.193 1.00 0.00 H new ATOM 0 HD2 HIS A 43 3.413 5.080 5.214 1.00 0.00 H new ATOM 0 HE1 HIS A 43 4.768 8.002 7.975 1.00 0.00 H new ATOM 630 N LEU A 44 2.573 4.874 2.914 1.00 0.00 N ATOM 631 CA LEU A 44 3.109 3.533 2.708 1.00 0.00 C ATOM 632 C LEU A 44 4.613 3.503 2.965 1.00 0.00 C ATOM 633 O LEU A 44 5.280 4.536 2.920 1.00 0.00 O ATOM 634 CB LEU A 44 2.813 3.057 1.285 1.00 0.00 C ATOM 635 CG LEU A 44 3.943 3.231 0.270 1.00 0.00 C ATOM 636 CD1 LEU A 44 4.429 4.672 0.254 1.00 0.00 C ATOM 637 CD2 LEU A 44 5.092 2.283 0.583 1.00 0.00 C ATOM 0 H LEU A 44 3.035 5.601 2.368 1.00 0.00 H new ATOM 0 HA LEU A 44 2.624 2.861 3.417 1.00 0.00 H new ATOM 0 HB2 LEU A 44 2.547 2.001 1.325 1.00 0.00 H new ATOM 0 HB3 LEU A 44 1.937 3.593 0.919 1.00 0.00 H new ATOM 0 HG LEU A 44 3.557 2.988 -0.720 1.00 0.00 H new ATOM 0 HD11 LEU A 44 5.233 4.777 -0.474 1.00 0.00 H new ATOM 0 HD12 LEU A 44 3.605 5.331 -0.019 1.00 0.00 H new ATOM 0 HD13 LEU A 44 4.798 4.943 1.243 1.00 0.00 H new ATOM 0 HD21 LEU A 44 5.887 2.421 -0.150 1.00 0.00 H new ATOM 0 HD22 LEU A 44 5.477 2.495 1.581 1.00 0.00 H new ATOM 0 HD23 LEU A 44 4.736 1.254 0.543 1.00 0.00 H new ATOM 649 N GLN A 45 5.139 2.312 3.231 1.00 0.00 N ATOM 650 CA GLN A 45 6.564 2.147 3.492 1.00 0.00 C ATOM 651 C GLN A 45 7.048 0.778 3.026 1.00 0.00 C ATOM 652 O GLN A 45 6.614 -0.254 3.538 1.00 0.00 O ATOM 653 CB GLN A 45 6.853 2.323 4.984 1.00 0.00 C ATOM 654 CG GLN A 45 6.415 3.671 5.534 1.00 0.00 C ATOM 655 CD GLN A 45 6.969 3.944 6.918 1.00 0.00 C ATOM 656 OE1 GLN A 45 6.221 4.235 7.852 1.00 0.00 O ATOM 657 NE2 GLN A 45 8.286 3.853 7.058 1.00 0.00 N ATOM 0 H GLN A 45 4.600 1.447 3.271 1.00 0.00 H new ATOM 0 HA GLN A 45 7.102 2.912 2.932 1.00 0.00 H new ATOM 0 HB2 GLN A 45 6.348 1.532 5.539 1.00 0.00 H new ATOM 0 HB3 GLN A 45 7.922 2.200 5.155 1.00 0.00 H new ATOM 0 HG2 GLN A 45 6.740 4.459 4.855 1.00 0.00 H new ATOM 0 HG3 GLN A 45 5.326 3.709 5.569 1.00 0.00 H new ATOM 0 HE21 GLN A 45 8.868 3.609 6.257 1.00 0.00 H new ATOM 0 HE22 GLN A 45 8.716 4.027 7.967 1.00 0.00 H new ATOM 666 N THR A 46 7.952 0.776 2.051 1.00 0.00 N ATOM 667 CA THR A 46 8.494 -0.465 1.514 1.00 0.00 C ATOM 668 C THR A 46 9.698 -0.934 2.324 1.00 0.00 C ATOM 669 O THR A 46 10.699 -0.226 2.432 1.00 0.00 O ATOM 670 CB THR A 46 8.912 -0.305 0.040 1.00 0.00 C ATOM 671 OG1 THR A 46 7.903 0.411 -0.680 1.00 0.00 O ATOM 672 CG2 THR A 46 9.139 -1.662 -0.609 1.00 0.00 C ATOM 0 H THR A 46 8.324 1.621 1.617 1.00 0.00 H new ATOM 0 HA THR A 46 7.702 -1.211 1.580 1.00 0.00 H new ATOM 0 HB THR A 46 9.847 0.255 0.009 1.00 0.00 H new ATOM 0 HG1 THR A 46 8.326 1.083 -1.255 1.00 0.00 H new ATOM 0 HG21 THR A 46 9.433 -1.523 -1.649 1.00 0.00 H new ATOM 0 HG22 THR A 46 9.928 -2.193 -0.076 1.00 0.00 H new ATOM 0 HG23 THR A 46 8.218 -2.244 -0.567 1.00 0.00 H new ATOM 680 N SER A 47 9.594 -2.132 2.890 1.00 0.00 N ATOM 681 CA SER A 47 10.674 -2.695 3.692 1.00 0.00 C ATOM 682 C SER A 47 10.843 -4.184 3.408 1.00 0.00 C ATOM 683 O SER A 47 9.864 -4.912 3.242 1.00 0.00 O ATOM 684 CB SER A 47 10.398 -2.476 5.181 1.00 0.00 C ATOM 685 OG SER A 47 9.663 -1.283 5.394 1.00 0.00 O ATOM 0 H SER A 47 8.773 -2.732 2.808 1.00 0.00 H new ATOM 0 HA SER A 47 11.599 -2.185 3.422 1.00 0.00 H new ATOM 0 HB2 SER A 47 9.843 -3.325 5.580 1.00 0.00 H new ATOM 0 HB3 SER A 47 11.341 -2.428 5.726 1.00 0.00 H new ATOM 0 HG SER A 47 9.498 -1.167 6.353 1.00 0.00 H new ATOM 691 N LEU A 48 12.093 -4.631 3.353 1.00 0.00 N ATOM 692 CA LEU A 48 12.393 -6.033 3.089 1.00 0.00 C ATOM 693 C LEU A 48 11.771 -6.933 4.151 1.00 0.00 C ATOM 694 O LEU A 48 11.639 -6.541 5.310 1.00 0.00 O ATOM 695 CB LEU A 48 13.907 -6.252 3.042 1.00 0.00 C ATOM 696 CG LEU A 48 14.566 -6.095 1.672 1.00 0.00 C ATOM 697 CD1 LEU A 48 14.249 -7.290 0.787 1.00 0.00 C ATOM 698 CD2 LEU A 48 14.115 -4.802 1.008 1.00 0.00 C ATOM 0 H LEU A 48 12.915 -4.042 3.488 1.00 0.00 H new ATOM 0 HA LEU A 48 11.964 -6.294 2.122 1.00 0.00 H new ATOM 0 HB2 LEU A 48 14.377 -5.550 3.731 1.00 0.00 H new ATOM 0 HB3 LEU A 48 14.120 -7.255 3.413 1.00 0.00 H new ATOM 0 HG LEU A 48 15.646 -6.050 1.813 1.00 0.00 H new ATOM 0 HD11 LEU A 48 14.727 -7.160 -0.184 1.00 0.00 H new ATOM 0 HD12 LEU A 48 14.623 -8.200 1.257 1.00 0.00 H new ATOM 0 HD13 LEU A 48 13.170 -7.368 0.653 1.00 0.00 H new ATOM 0 HD21 LEU A 48 14.594 -4.707 0.034 1.00 0.00 H new ATOM 0 HD22 LEU A 48 13.033 -4.817 0.880 1.00 0.00 H new ATOM 0 HD23 LEU A 48 14.395 -3.955 1.634 1.00 0.00 H new ATOM 710 N GLU A 49 11.391 -8.142 3.748 1.00 0.00 N ATOM 711 CA GLU A 49 10.783 -9.097 4.666 1.00 0.00 C ATOM 712 C GLU A 49 11.601 -9.214 5.949 1.00 0.00 C ATOM 713 O GLU A 49 11.068 -9.531 7.011 1.00 0.00 O ATOM 714 CB GLU A 49 10.659 -10.470 4.001 1.00 0.00 C ATOM 715 CG GLU A 49 10.114 -11.546 4.924 1.00 0.00 C ATOM 716 CD GLU A 49 11.178 -12.128 5.834 1.00 0.00 C ATOM 717 OE1 GLU A 49 12.227 -12.565 5.316 1.00 0.00 O ATOM 718 OE2 GLU A 49 10.962 -12.147 7.064 1.00 0.00 O ATOM 0 H GLU A 49 11.494 -8.483 2.792 1.00 0.00 H new ATOM 0 HA GLU A 49 9.788 -8.733 4.921 1.00 0.00 H new ATOM 0 HB2 GLU A 49 10.008 -10.385 3.131 1.00 0.00 H new ATOM 0 HB3 GLU A 49 11.639 -10.778 3.637 1.00 0.00 H new ATOM 0 HG2 GLU A 49 9.312 -11.126 5.531 1.00 0.00 H new ATOM 0 HG3 GLU A 49 9.676 -12.345 4.326 1.00 0.00 H new ATOM 725 N ASN A 50 12.901 -8.956 5.841 1.00 0.00 N ATOM 726 CA ASN A 50 13.794 -9.033 6.992 1.00 0.00 C ATOM 727 C ASN A 50 13.693 -7.771 7.844 1.00 0.00 C ATOM 728 O ASN A 50 13.628 -7.841 9.070 1.00 0.00 O ATOM 729 CB ASN A 50 15.238 -9.237 6.530 1.00 0.00 C ATOM 730 CG ASN A 50 15.556 -8.461 5.267 1.00 0.00 C ATOM 731 OD1 ASN A 50 15.784 -7.161 5.413 1.00 0.00 O flip ATOM 732 ND2 ASN A 50 15.597 -9.024 4.173 1.00 0.00 N flip ATOM 0 H ASN A 50 13.359 -8.692 4.969 1.00 0.00 H new ATOM 0 HA ASN A 50 13.491 -9.885 7.600 1.00 0.00 H new ATOM 0 HB2 ASN A 50 15.918 -8.928 7.324 1.00 0.00 H new ATOM 0 HB3 ASN A 50 15.414 -10.298 6.355 1.00 0.00 H new ATOM 0 HD21 ASN A 50 15.415 -10.026 4.108 1.00 0.00 H new ATOM 0 HD22 ASN A 50 15.813 -8.489 3.332 1.00 0.00 H new ATOM 739 N GLY A 51 13.682 -6.617 7.183 1.00 0.00 N ATOM 740 CA GLY A 51 13.590 -5.356 7.895 1.00 0.00 C ATOM 741 C GLY A 51 14.566 -4.321 7.371 1.00 0.00 C ATOM 742 O GLY A 51 15.343 -3.747 8.135 1.00 0.00 O ATOM 0 H GLY A 51 13.735 -6.533 6.168 1.00 0.00 H new ATOM 0 HA2 GLY A 51 12.575 -4.968 7.811 1.00 0.00 H new ATOM 0 HA3 GLY A 51 13.780 -5.526 8.955 1.00 0.00 H new ATOM 746 N THR A 52 14.529 -4.083 6.064 1.00 0.00 N ATOM 747 CA THR A 52 15.419 -3.113 5.438 1.00 0.00 C ATOM 748 C THR A 52 14.636 -2.113 4.595 1.00 0.00 C ATOM 749 O THR A 52 14.437 -2.317 3.398 1.00 0.00 O ATOM 750 CB THR A 52 16.469 -3.806 4.549 1.00 0.00 C ATOM 751 OG1 THR A 52 17.197 -4.773 5.314 1.00 0.00 O ATOM 752 CG2 THR A 52 17.433 -2.789 3.958 1.00 0.00 C ATOM 0 H THR A 52 13.892 -4.549 5.418 1.00 0.00 H new ATOM 0 HA THR A 52 15.928 -2.585 6.244 1.00 0.00 H new ATOM 0 HB THR A 52 15.949 -4.307 3.733 1.00 0.00 H new ATOM 0 HG1 THR A 52 16.692 -5.612 5.346 1.00 0.00 H new ATOM 0 HG21 THR A 52 18.165 -3.302 3.334 1.00 0.00 H new ATOM 0 HG22 THR A 52 16.879 -2.072 3.353 1.00 0.00 H new ATOM 0 HG23 THR A 52 17.947 -2.264 4.763 1.00 0.00 H new ATOM 760 N ARG A 53 14.195 -1.030 5.228 1.00 0.00 N ATOM 761 CA ARG A 53 13.434 0.002 4.535 1.00 0.00 C ATOM 762 C ARG A 53 14.135 0.423 3.247 1.00 0.00 C ATOM 763 O ARG A 53 15.269 0.902 3.273 1.00 0.00 O ATOM 764 CB ARG A 53 13.239 1.218 5.443 1.00 0.00 C ATOM 765 CG ARG A 53 12.123 1.046 6.461 1.00 0.00 C ATOM 766 CD ARG A 53 11.479 2.379 6.811 1.00 0.00 C ATOM 767 NE ARG A 53 10.954 2.391 8.174 1.00 0.00 N ATOM 768 CZ ARG A 53 11.708 2.579 9.251 1.00 0.00 C ATOM 769 NH1 ARG A 53 13.014 2.770 9.125 1.00 0.00 N ATOM 770 NH2 ARG A 53 11.156 2.576 10.458 1.00 0.00 N ATOM 0 H ARG A 53 14.352 -0.845 6.219 1.00 0.00 H new ATOM 0 HA ARG A 53 12.459 -0.412 4.279 1.00 0.00 H new ATOM 0 HB2 ARG A 53 14.172 1.421 5.970 1.00 0.00 H new ATOM 0 HB3 ARG A 53 13.025 2.091 4.826 1.00 0.00 H new ATOM 0 HG2 ARG A 53 11.367 0.369 6.063 1.00 0.00 H new ATOM 0 HG3 ARG A 53 12.521 0.584 7.365 1.00 0.00 H new ATOM 0 HD2 ARG A 53 12.213 3.177 6.698 1.00 0.00 H new ATOM 0 HD3 ARG A 53 10.671 2.587 6.109 1.00 0.00 H new ATOM 0 HE ARG A 53 9.953 2.247 8.306 1.00 0.00 H new ATOM 0 HH11 ARG A 53 13.442 2.773 8.199 1.00 0.00 H new ATOM 0 HH12 ARG A 53 13.591 2.914 9.954 1.00 0.00 H new ATOM 0 HH21 ARG A 53 10.152 2.429 10.559 1.00 0.00 H new ATOM 0 HH22 ARG A 53 11.736 2.720 11.284 1.00 0.00 H new ATOM 784 N VAL A 54 13.452 0.241 2.121 1.00 0.00 N ATOM 785 CA VAL A 54 14.009 0.602 0.823 1.00 0.00 C ATOM 786 C VAL A 54 13.652 2.037 0.452 1.00 0.00 C ATOM 787 O VAL A 54 14.440 2.738 -0.182 1.00 0.00 O ATOM 788 CB VAL A 54 13.508 -0.344 -0.285 1.00 0.00 C ATOM 789 CG1 VAL A 54 14.148 0.010 -1.619 1.00 0.00 C ATOM 790 CG2 VAL A 54 13.789 -1.792 0.084 1.00 0.00 C ATOM 0 H VAL A 54 12.512 -0.154 2.082 1.00 0.00 H new ATOM 0 HA VAL A 54 15.092 0.510 0.906 1.00 0.00 H new ATOM 0 HB VAL A 54 12.429 -0.222 -0.384 1.00 0.00 H new ATOM 0 HG11 VAL A 54 13.782 -0.669 -2.390 1.00 0.00 H new ATOM 0 HG12 VAL A 54 13.890 1.035 -1.886 1.00 0.00 H new ATOM 0 HG13 VAL A 54 15.231 -0.082 -1.539 1.00 0.00 H new ATOM 0 HG21 VAL A 54 13.429 -2.446 -0.710 1.00 0.00 H new ATOM 0 HG22 VAL A 54 14.862 -1.933 0.211 1.00 0.00 H new ATOM 0 HG23 VAL A 54 13.278 -2.036 1.015 1.00 0.00 H new ATOM 800 N GLN A 55 12.459 2.466 0.851 1.00 0.00 N ATOM 801 CA GLN A 55 11.998 3.818 0.559 1.00 0.00 C ATOM 802 C GLN A 55 11.041 4.311 1.640 1.00 0.00 C ATOM 803 O GLN A 55 10.069 3.637 1.975 1.00 0.00 O ATOM 804 CB GLN A 55 11.310 3.862 -0.806 1.00 0.00 C ATOM 805 CG GLN A 55 9.818 3.577 -0.746 1.00 0.00 C ATOM 806 CD GLN A 55 9.131 3.779 -2.081 1.00 0.00 C ATOM 807 OE1 GLN A 55 8.495 2.866 -2.610 1.00 0.00 O ATOM 808 NE2 GLN A 55 9.254 4.980 -2.635 1.00 0.00 N ATOM 0 H GLN A 55 11.795 1.898 1.377 1.00 0.00 H new ATOM 0 HA GLN A 55 12.867 4.475 0.540 1.00 0.00 H new ATOM 0 HB2 GLN A 55 11.466 4.845 -1.250 1.00 0.00 H new ATOM 0 HB3 GLN A 55 11.784 3.135 -1.466 1.00 0.00 H new ATOM 0 HG2 GLN A 55 9.661 2.551 -0.413 1.00 0.00 H new ATOM 0 HG3 GLN A 55 9.357 4.228 -0.003 1.00 0.00 H new ATOM 0 HE21 GLN A 55 9.790 5.707 -2.162 1.00 0.00 H new ATOM 0 HE22 GLN A 55 8.812 5.175 -3.533 1.00 0.00 H new ATOM 817 N GLU A 56 11.325 5.492 2.180 1.00 0.00 N ATOM 818 CA GLU A 56 10.489 6.075 3.224 1.00 0.00 C ATOM 819 C GLU A 56 9.675 7.244 2.679 1.00 0.00 C ATOM 820 O GLU A 56 10.188 8.352 2.523 1.00 0.00 O ATOM 821 CB GLU A 56 11.352 6.543 4.398 1.00 0.00 C ATOM 822 CG GLU A 56 10.579 7.317 5.451 1.00 0.00 C ATOM 823 CD GLU A 56 11.441 7.713 6.634 1.00 0.00 C ATOM 824 OE1 GLU A 56 11.758 6.830 7.458 1.00 0.00 O ATOM 825 OE2 GLU A 56 11.798 8.905 6.736 1.00 0.00 O ATOM 0 H GLU A 56 12.126 6.063 1.913 1.00 0.00 H new ATOM 0 HA GLU A 56 9.800 5.306 3.573 1.00 0.00 H new ATOM 0 HB2 GLU A 56 11.816 5.675 4.865 1.00 0.00 H new ATOM 0 HB3 GLU A 56 12.159 7.170 4.018 1.00 0.00 H new ATOM 0 HG2 GLU A 56 10.155 8.214 4.999 1.00 0.00 H new ATOM 0 HG3 GLU A 56 9.744 6.711 5.802 1.00 0.00 H new ATOM 832 N GLU A 57 8.402 6.989 2.391 1.00 0.00 N ATOM 833 CA GLU A 57 7.517 8.020 1.863 1.00 0.00 C ATOM 834 C GLU A 57 6.257 8.144 2.714 1.00 0.00 C ATOM 835 O GLU A 57 5.334 7.334 2.624 1.00 0.00 O ATOM 836 CB GLU A 57 7.138 7.705 0.414 1.00 0.00 C ATOM 837 CG GLU A 57 6.637 8.912 -0.360 1.00 0.00 C ATOM 838 CD GLU A 57 7.765 9.771 -0.897 1.00 0.00 C ATOM 839 OE1 GLU A 57 8.654 9.221 -1.581 1.00 0.00 O ATOM 840 OE2 GLU A 57 7.760 10.991 -0.634 1.00 0.00 O ATOM 0 H GLU A 57 7.961 6.077 2.515 1.00 0.00 H new ATOM 0 HA GLU A 57 8.050 8.970 1.893 1.00 0.00 H new ATOM 0 HB2 GLU A 57 8.006 7.291 -0.098 1.00 0.00 H new ATOM 0 HB3 GLU A 57 6.367 6.935 0.408 1.00 0.00 H new ATOM 0 HG2 GLU A 57 6.016 8.574 -1.190 1.00 0.00 H new ATOM 0 HG3 GLU A 57 6.002 9.516 0.288 1.00 0.00 H new ATOM 847 N PRO A 58 6.216 9.183 3.562 1.00 0.00 N ATOM 848 CA PRO A 58 5.076 9.438 4.447 1.00 0.00 C ATOM 849 C PRO A 58 3.837 9.890 3.680 1.00 0.00 C ATOM 850 O PRO A 58 2.731 9.416 3.935 1.00 0.00 O ATOM 851 CB PRO A 58 5.578 10.560 5.359 1.00 0.00 C ATOM 852 CG PRO A 58 6.632 11.251 4.564 1.00 0.00 C ATOM 853 CD PRO A 58 7.281 10.188 3.723 1.00 0.00 C ATOM 0 HA PRO A 58 4.768 8.540 4.983 1.00 0.00 H new ATOM 0 HB2 PRO A 58 4.772 11.243 5.626 1.00 0.00 H new ATOM 0 HB3 PRO A 58 5.981 10.163 6.290 1.00 0.00 H new ATOM 0 HG2 PRO A 58 6.200 12.033 3.939 1.00 0.00 H new ATOM 0 HG3 PRO A 58 7.361 11.731 5.217 1.00 0.00 H new ATOM 0 HD2 PRO A 58 7.611 10.582 2.762 1.00 0.00 H new ATOM 0 HD3 PRO A 58 8.159 9.768 4.213 1.00 0.00 H new ATOM 861 N GLU A 59 4.032 10.809 2.739 1.00 0.00 N ATOM 862 CA GLU A 59 2.929 11.324 1.936 1.00 0.00 C ATOM 863 C GLU A 59 3.049 10.860 0.487 1.00 0.00 C ATOM 864 O GLU A 59 3.779 11.452 -0.309 1.00 0.00 O ATOM 865 CB GLU A 59 2.899 12.853 1.992 1.00 0.00 C ATOM 866 CG GLU A 59 1.680 13.462 1.321 1.00 0.00 C ATOM 867 CD GLU A 59 1.569 14.956 1.557 1.00 0.00 C ATOM 868 OE1 GLU A 59 2.615 15.639 1.531 1.00 0.00 O ATOM 869 OE2 GLU A 59 0.439 15.442 1.767 1.00 0.00 O ATOM 0 H GLU A 59 4.942 11.211 2.514 1.00 0.00 H new ATOM 0 HA GLU A 59 1.999 10.934 2.349 1.00 0.00 H new ATOM 0 HB2 GLU A 59 2.926 13.171 3.034 1.00 0.00 H new ATOM 0 HB3 GLU A 59 3.798 13.243 1.516 1.00 0.00 H new ATOM 0 HG2 GLU A 59 1.726 13.270 0.249 1.00 0.00 H new ATOM 0 HG3 GLU A 59 0.781 12.971 1.694 1.00 0.00 H new ATOM 876 N LEU A 60 2.327 9.796 0.151 1.00 0.00 N ATOM 877 CA LEU A 60 2.351 9.251 -1.201 1.00 0.00 C ATOM 878 C LEU A 60 1.067 9.594 -1.950 1.00 0.00 C ATOM 879 O LEU A 60 -0.031 9.256 -1.508 1.00 0.00 O ATOM 880 CB LEU A 60 2.539 7.733 -1.157 1.00 0.00 C ATOM 881 CG LEU A 60 2.138 6.970 -2.420 1.00 0.00 C ATOM 882 CD1 LEU A 60 0.640 6.709 -2.433 1.00 0.00 C ATOM 883 CD2 LEU A 60 2.558 7.740 -3.664 1.00 0.00 C ATOM 0 H LEU A 60 1.718 9.294 0.797 1.00 0.00 H new ATOM 0 HA LEU A 60 3.190 9.700 -1.732 1.00 0.00 H new ATOM 0 HB2 LEU A 60 3.588 7.523 -0.947 1.00 0.00 H new ATOM 0 HB3 LEU A 60 1.962 7.340 -0.320 1.00 0.00 H new ATOM 0 HG LEU A 60 2.653 6.009 -2.420 1.00 0.00 H new ATOM 0 HD11 LEU A 60 0.373 6.165 -3.339 1.00 0.00 H new ATOM 0 HD12 LEU A 60 0.366 6.116 -1.560 1.00 0.00 H new ATOM 0 HD13 LEU A 60 0.105 7.658 -2.409 1.00 0.00 H new ATOM 0 HD21 LEU A 60 2.265 7.182 -4.553 1.00 0.00 H new ATOM 0 HD22 LEU A 60 2.071 8.715 -3.670 1.00 0.00 H new ATOM 0 HD23 LEU A 60 3.640 7.875 -3.661 1.00 0.00 H new ATOM 895 N VAL A 61 1.213 10.266 -3.087 1.00 0.00 N ATOM 896 CA VAL A 61 0.066 10.652 -3.900 1.00 0.00 C ATOM 897 C VAL A 61 0.150 10.042 -5.294 1.00 0.00 C ATOM 898 O VAL A 61 1.238 9.871 -5.845 1.00 0.00 O ATOM 899 CB VAL A 61 -0.042 12.184 -4.027 1.00 0.00 C ATOM 900 CG1 VAL A 61 1.275 12.774 -4.508 1.00 0.00 C ATOM 901 CG2 VAL A 61 -1.179 12.561 -4.964 1.00 0.00 C ATOM 0 H VAL A 61 2.115 10.555 -3.466 1.00 0.00 H new ATOM 0 HA VAL A 61 -0.822 10.273 -3.394 1.00 0.00 H new ATOM 0 HB VAL A 61 -0.260 12.599 -3.043 1.00 0.00 H new ATOM 0 HG11 VAL A 61 1.180 13.857 -4.592 1.00 0.00 H new ATOM 0 HG12 VAL A 61 2.064 12.533 -3.795 1.00 0.00 H new ATOM 0 HG13 VAL A 61 1.527 12.356 -5.482 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -1.241 13.646 -5.042 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -0.994 12.136 -5.950 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -2.118 12.171 -4.572 1.00 0.00 H new ATOM 911 N PHE A 62 -1.007 9.716 -5.862 1.00 0.00 N ATOM 912 CA PHE A 62 -1.065 9.124 -7.193 1.00 0.00 C ATOM 913 C PHE A 62 -2.483 9.183 -7.754 1.00 0.00 C ATOM 914 O PHE A 62 -3.419 9.592 -7.065 1.00 0.00 O ATOM 915 CB PHE A 62 -0.582 7.673 -7.151 1.00 0.00 C ATOM 916 CG PHE A 62 -1.501 6.757 -6.395 1.00 0.00 C ATOM 917 CD1 PHE A 62 -2.675 6.301 -6.973 1.00 0.00 C ATOM 918 CD2 PHE A 62 -1.191 6.351 -5.107 1.00 0.00 C ATOM 919 CE1 PHE A 62 -3.523 5.459 -6.279 1.00 0.00 C ATOM 920 CE2 PHE A 62 -2.035 5.508 -4.409 1.00 0.00 C ATOM 921 CZ PHE A 62 -3.202 5.061 -4.996 1.00 0.00 C ATOM 0 H PHE A 62 -1.917 9.852 -5.421 1.00 0.00 H new ATOM 0 HA PHE A 62 -0.410 9.699 -7.847 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -0.474 7.305 -8.171 1.00 0.00 H new ATOM 0 HB3 PHE A 62 0.407 7.641 -6.694 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -2.930 6.607 -7.977 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -0.279 6.697 -4.643 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -4.436 5.112 -6.740 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -1.782 5.199 -3.405 1.00 0.00 H new ATOM 0 HZ PHE A 62 -3.863 4.401 -4.453 1.00 0.00 H new ATOM 931 N THR A 63 -2.635 8.773 -9.009 1.00 0.00 N ATOM 932 CA THR A 63 -3.937 8.781 -9.664 1.00 0.00 C ATOM 933 C THR A 63 -4.485 7.366 -9.813 1.00 0.00 C ATOM 934 O THR A 63 -4.164 6.662 -10.771 1.00 0.00 O ATOM 935 CB THR A 63 -3.863 9.440 -11.054 1.00 0.00 C ATOM 936 OG1 THR A 63 -3.656 10.850 -10.917 1.00 0.00 O ATOM 937 CG2 THR A 63 -5.137 9.183 -11.843 1.00 0.00 C ATOM 0 H THR A 63 -1.872 8.431 -9.593 1.00 0.00 H new ATOM 0 HA THR A 63 -4.606 9.363 -9.030 1.00 0.00 H new ATOM 0 HB THR A 63 -3.025 9.002 -11.596 1.00 0.00 H new ATOM 0 HG1 THR A 63 -3.608 11.261 -11.805 1.00 0.00 H new ATOM 0 HG21 THR A 63 -5.061 9.658 -12.821 1.00 0.00 H new ATOM 0 HG22 THR A 63 -5.276 8.109 -11.971 1.00 0.00 H new ATOM 0 HG23 THR A 63 -5.989 9.597 -11.304 1.00 0.00 H new ATOM 945 N LEU A 64 -5.316 6.956 -8.861 1.00 0.00 N ATOM 946 CA LEU A 64 -5.911 5.624 -8.887 1.00 0.00 C ATOM 947 C LEU A 64 -6.398 5.273 -10.289 1.00 0.00 C ATOM 948 O LEU A 64 -7.105 6.053 -10.925 1.00 0.00 O ATOM 949 CB LEU A 64 -7.073 5.544 -7.895 1.00 0.00 C ATOM 950 CG LEU A 64 -7.669 4.154 -7.671 1.00 0.00 C ATOM 951 CD1 LEU A 64 -6.619 3.206 -7.112 1.00 0.00 C ATOM 952 CD2 LEU A 64 -8.869 4.232 -6.738 1.00 0.00 C ATOM 0 H LEU A 64 -5.593 7.526 -8.062 1.00 0.00 H new ATOM 0 HA LEU A 64 -5.145 4.904 -8.598 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -6.732 5.930 -6.935 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -7.866 6.206 -8.241 1.00 0.00 H new ATOM 0 HG LEU A 64 -8.005 3.765 -8.632 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -7.062 2.222 -6.959 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -5.790 3.126 -7.815 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -6.252 3.590 -6.160 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -9.280 3.233 -6.590 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -8.557 4.642 -5.777 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -9.630 4.877 -7.177 1.00 0.00 H new ATOM 964 N GLY A 65 -6.017 4.091 -10.764 1.00 0.00 N ATOM 965 CA GLY A 65 -6.426 3.656 -12.086 1.00 0.00 C ATOM 966 C GLY A 65 -5.292 3.708 -13.090 1.00 0.00 C ATOM 967 O GLY A 65 -5.323 3.016 -14.108 1.00 0.00 O ATOM 0 H GLY A 65 -5.432 3.427 -10.256 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -6.809 2.637 -12.028 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -7.245 4.285 -12.435 1.00 0.00 H new ATOM 971 N ASP A 66 -4.289 4.531 -12.805 1.00 0.00 N ATOM 972 CA ASP A 66 -3.139 4.671 -13.692 1.00 0.00 C ATOM 973 C ASP A 66 -2.014 3.728 -13.277 1.00 0.00 C ATOM 974 O ASP A 66 -1.083 3.482 -14.044 1.00 0.00 O ATOM 975 CB ASP A 66 -2.638 6.116 -13.687 1.00 0.00 C ATOM 976 CG ASP A 66 -3.395 6.995 -14.664 1.00 0.00 C ATOM 977 OD1 ASP A 66 -4.536 6.635 -15.025 1.00 0.00 O ATOM 978 OD2 ASP A 66 -2.848 8.042 -15.067 1.00 0.00 O ATOM 0 H ASP A 66 -4.249 5.111 -11.967 1.00 0.00 H new ATOM 0 HA ASP A 66 -3.455 4.407 -14.701 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -2.735 6.528 -12.682 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -1.577 6.130 -13.937 1.00 0.00 H new ATOM 983 N CYS A 67 -2.107 3.205 -12.059 1.00 0.00 N ATOM 984 CA CYS A 67 -1.096 2.291 -11.541 1.00 0.00 C ATOM 985 C CYS A 67 0.249 2.995 -11.392 1.00 0.00 C ATOM 986 O CYS A 67 1.298 2.417 -11.677 1.00 0.00 O ATOM 987 CB CYS A 67 -0.952 1.080 -12.464 1.00 0.00 C ATOM 988 SG CYS A 67 0.000 -0.282 -11.752 1.00 0.00 S ATOM 0 H CYS A 67 -2.872 3.398 -11.412 1.00 0.00 H new ATOM 0 HA CYS A 67 -1.419 1.952 -10.557 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -1.946 0.716 -12.726 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -0.474 1.398 -13.391 1.00 0.00 H new ATOM 0 HG CYS A 67 1.163 0.155 -11.369 1.00 0.00 H new ATOM 994 N ASP A 68 0.210 4.246 -10.946 1.00 0.00 N ATOM 995 CA ASP A 68 1.425 5.030 -10.760 1.00 0.00 C ATOM 996 C ASP A 68 2.193 4.557 -9.530 1.00 0.00 C ATOM 997 O ASP A 68 3.279 5.056 -9.234 1.00 0.00 O ATOM 998 CB ASP A 68 1.084 6.514 -10.625 1.00 0.00 C ATOM 999 CG ASP A 68 2.280 7.409 -10.885 1.00 0.00 C ATOM 1000 OD1 ASP A 68 3.173 6.997 -11.654 1.00 0.00 O ATOM 1001 OD2 ASP A 68 2.324 8.521 -10.318 1.00 0.00 O ATOM 0 H ASP A 68 -0.650 4.739 -10.707 1.00 0.00 H new ATOM 0 HA ASP A 68 2.057 4.889 -11.637 1.00 0.00 H new ATOM 0 HB2 ASP A 68 0.287 6.766 -11.324 1.00 0.00 H new ATOM 0 HB3 ASP A 68 0.701 6.706 -9.623 1.00 0.00 H new ATOM 1006 N VAL A 69 1.622 3.593 -8.815 1.00 0.00 N ATOM 1007 CA VAL A 69 2.252 3.053 -7.617 1.00 0.00 C ATOM 1008 C VAL A 69 2.366 1.535 -7.693 1.00 0.00 C ATOM 1009 O VAL A 69 2.020 0.926 -8.705 1.00 0.00 O ATOM 1010 CB VAL A 69 1.466 3.435 -6.348 1.00 0.00 C ATOM 1011 CG1 VAL A 69 1.632 4.916 -6.043 1.00 0.00 C ATOM 1012 CG2 VAL A 69 -0.004 3.076 -6.505 1.00 0.00 C ATOM 0 H VAL A 69 0.723 3.170 -9.045 1.00 0.00 H new ATOM 0 HA VAL A 69 3.250 3.487 -7.561 1.00 0.00 H new ATOM 0 HB VAL A 69 1.867 2.868 -5.508 1.00 0.00 H new ATOM 0 HG11 VAL A 69 1.070 5.167 -5.144 1.00 0.00 H new ATOM 0 HG12 VAL A 69 2.687 5.139 -5.886 1.00 0.00 H new ATOM 0 HG13 VAL A 69 1.258 5.504 -6.881 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -0.545 3.352 -5.600 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -0.421 3.615 -7.356 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -0.101 2.003 -6.672 1.00 0.00 H new ATOM 1022 N ILE A 70 2.854 0.929 -6.615 1.00 0.00 N ATOM 1023 CA ILE A 70 3.013 -0.519 -6.559 1.00 0.00 C ATOM 1024 C ILE A 70 1.688 -1.227 -6.823 1.00 0.00 C ATOM 1025 O ILE A 70 0.617 -0.658 -6.615 1.00 0.00 O ATOM 1026 CB ILE A 70 3.562 -0.973 -5.194 1.00 0.00 C ATOM 1027 CG1 ILE A 70 4.632 0.003 -4.700 1.00 0.00 C ATOM 1028 CG2 ILE A 70 4.128 -2.382 -5.292 1.00 0.00 C ATOM 1029 CD1 ILE A 70 5.644 0.378 -5.761 1.00 0.00 C ATOM 0 H ILE A 70 3.146 1.418 -5.769 1.00 0.00 H new ATOM 0 HA ILE A 70 3.728 -0.789 -7.336 1.00 0.00 H new ATOM 0 HB ILE A 70 2.743 -0.981 -4.474 1.00 0.00 H new ATOM 0 HG12 ILE A 70 4.146 0.909 -4.336 1.00 0.00 H new ATOM 0 HG13 ILE A 70 5.154 -0.441 -3.852 1.00 0.00 H new ATOM 0 HG21 ILE A 70 4.512 -2.688 -4.319 1.00 0.00 H new ATOM 0 HG22 ILE A 70 3.342 -3.069 -5.604 1.00 0.00 H new ATOM 0 HG23 ILE A 70 4.936 -2.399 -6.023 1.00 0.00 H new ATOM 0 HD11 ILE A 70 6.372 1.072 -5.341 1.00 0.00 H new ATOM 0 HD12 ILE A 70 6.157 -0.519 -6.108 1.00 0.00 H new ATOM 0 HD13 ILE A 70 5.133 0.851 -6.600 1.00 0.00 H new ATOM 1041 N GLN A 71 1.770 -2.473 -7.279 1.00 0.00 N ATOM 1042 CA GLN A 71 0.577 -3.260 -7.570 1.00 0.00 C ATOM 1043 C GLN A 71 -0.052 -3.789 -6.285 1.00 0.00 C ATOM 1044 O GLN A 71 -1.137 -4.368 -6.307 1.00 0.00 O ATOM 1045 CB GLN A 71 0.923 -4.424 -8.500 1.00 0.00 C ATOM 1046 CG GLN A 71 0.689 -4.118 -9.970 1.00 0.00 C ATOM 1047 CD GLN A 71 -0.678 -4.563 -10.449 1.00 0.00 C ATOM 1048 OE1 GLN A 71 -1.079 -5.709 -10.243 1.00 0.00 O ATOM 1049 NE2 GLN A 71 -1.404 -3.657 -11.093 1.00 0.00 N ATOM 0 H GLN A 71 2.649 -2.959 -7.455 1.00 0.00 H new ATOM 0 HA GLN A 71 -0.145 -2.611 -8.066 1.00 0.00 H new ATOM 0 HB2 GLN A 71 1.969 -4.695 -8.356 1.00 0.00 H new ATOM 0 HB3 GLN A 71 0.327 -5.292 -8.219 1.00 0.00 H new ATOM 0 HG2 GLN A 71 0.796 -3.046 -10.135 1.00 0.00 H new ATOM 0 HG3 GLN A 71 1.457 -4.611 -10.566 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -1.033 -2.719 -11.242 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -2.333 -3.899 -11.439 1.00 0.00 H new ATOM 1058 N ALA A 72 0.637 -3.585 -5.167 1.00 0.00 N ATOM 1059 CA ALA A 72 0.145 -4.040 -3.873 1.00 0.00 C ATOM 1060 C ALA A 72 -0.556 -2.911 -3.124 1.00 0.00 C ATOM 1061 O ALA A 72 -1.273 -3.148 -2.151 1.00 0.00 O ATOM 1062 CB ALA A 72 1.288 -4.598 -3.039 1.00 0.00 C ATOM 0 H ALA A 72 1.538 -3.108 -5.132 1.00 0.00 H new ATOM 0 HA ALA A 72 -0.583 -4.832 -4.048 1.00 0.00 H new ATOM 0 HB1 ALA A 72 0.905 -4.934 -2.075 1.00 0.00 H new ATOM 0 HB2 ALA A 72 1.743 -5.439 -3.562 1.00 0.00 H new ATOM 0 HB3 ALA A 72 2.036 -3.821 -2.881 1.00 0.00 H new ATOM 1068 N LEU A 73 -0.342 -1.682 -3.582 1.00 0.00 N ATOM 1069 CA LEU A 73 -0.953 -0.515 -2.955 1.00 0.00 C ATOM 1070 C LEU A 73 -2.113 0.010 -3.794 1.00 0.00 C ATOM 1071 O LEU A 73 -3.178 0.331 -3.268 1.00 0.00 O ATOM 1072 CB LEU A 73 0.090 0.587 -2.759 1.00 0.00 C ATOM 1073 CG LEU A 73 -0.444 2.019 -2.733 1.00 0.00 C ATOM 1074 CD1 LEU A 73 -1.173 2.294 -1.426 1.00 0.00 C ATOM 1075 CD2 LEU A 73 0.689 3.015 -2.933 1.00 0.00 C ATOM 0 H LEU A 73 0.250 -1.468 -4.385 1.00 0.00 H new ATOM 0 HA LEU A 73 -1.341 -0.817 -1.982 1.00 0.00 H new ATOM 0 HB2 LEU A 73 0.616 0.400 -1.823 1.00 0.00 H new ATOM 0 HB3 LEU A 73 0.826 0.509 -3.559 1.00 0.00 H new ATOM 0 HG LEU A 73 -1.153 2.136 -3.552 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -1.546 3.318 -1.426 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -2.010 1.603 -1.324 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -0.486 2.158 -0.591 1.00 0.00 H new ATOM 0 HD21 LEU A 73 0.290 4.029 -2.912 1.00 0.00 H new ATOM 0 HD22 LEU A 73 1.422 2.897 -2.135 1.00 0.00 H new ATOM 0 HD23 LEU A 73 1.167 2.834 -3.896 1.00 0.00 H new ATOM 1087 N ASP A 74 -1.899 0.093 -5.103 1.00 0.00 N ATOM 1088 CA ASP A 74 -2.928 0.576 -6.017 1.00 0.00 C ATOM 1089 C ASP A 74 -4.065 -0.434 -6.138 1.00 0.00 C ATOM 1090 O ASP A 74 -5.193 -0.077 -6.480 1.00 0.00 O ATOM 1091 CB ASP A 74 -2.326 0.853 -7.395 1.00 0.00 C ATOM 1092 CG ASP A 74 -3.055 1.959 -8.133 1.00 0.00 C ATOM 1093 OD1 ASP A 74 -4.151 1.693 -8.668 1.00 0.00 O ATOM 1094 OD2 ASP A 74 -2.528 3.091 -8.176 1.00 0.00 O ATOM 0 H ASP A 74 -1.022 -0.168 -5.555 1.00 0.00 H new ATOM 0 HA ASP A 74 -3.332 1.504 -5.613 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -1.277 1.126 -7.282 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -2.356 -0.059 -7.991 1.00 0.00 H new ATOM 1099 N LEU A 75 -3.760 -1.696 -5.857 1.00 0.00 N ATOM 1100 CA LEU A 75 -4.756 -2.759 -5.936 1.00 0.00 C ATOM 1101 C LEU A 75 -5.491 -2.916 -4.608 1.00 0.00 C ATOM 1102 O LEU A 75 -6.481 -3.642 -4.517 1.00 0.00 O ATOM 1103 CB LEU A 75 -4.090 -4.081 -6.322 1.00 0.00 C ATOM 1104 CG LEU A 75 -3.656 -4.213 -7.782 1.00 0.00 C ATOM 1105 CD1 LEU A 75 -2.570 -3.199 -8.109 1.00 0.00 C ATOM 1106 CD2 LEU A 75 -3.172 -5.627 -8.069 1.00 0.00 C ATOM 0 H LEU A 75 -2.832 -2.008 -5.573 1.00 0.00 H new ATOM 0 HA LEU A 75 -5.482 -2.487 -6.702 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -3.214 -4.222 -5.689 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -4.781 -4.893 -6.094 1.00 0.00 H new ATOM 0 HG LEU A 75 -4.518 -4.010 -8.417 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -2.273 -3.307 -9.152 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -2.951 -2.191 -7.943 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -1.706 -3.371 -7.466 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -2.867 -5.702 -9.113 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -2.323 -5.859 -7.425 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -3.978 -6.334 -7.875 1.00 0.00 H new ATOM 1118 N SER A 76 -5.002 -2.228 -3.582 1.00 0.00 N ATOM 1119 CA SER A 76 -5.611 -2.292 -2.259 1.00 0.00 C ATOM 1120 C SER A 76 -6.282 -0.968 -1.905 1.00 0.00 C ATOM 1121 O SER A 76 -7.257 -0.933 -1.154 1.00 0.00 O ATOM 1122 CB SER A 76 -4.558 -2.640 -1.205 1.00 0.00 C ATOM 1123 OG SER A 76 -3.591 -1.610 -1.090 1.00 0.00 O ATOM 0 H SER A 76 -4.185 -1.620 -3.641 1.00 0.00 H new ATOM 0 HA SER A 76 -6.371 -3.073 -2.274 1.00 0.00 H new ATOM 0 HB2 SER A 76 -5.042 -2.798 -0.241 1.00 0.00 H new ATOM 0 HB3 SER A 76 -4.067 -3.576 -1.472 1.00 0.00 H new ATOM 0 HG SER A 76 -3.616 -1.047 -1.892 1.00 0.00 H new ATOM 1129 N VAL A 77 -5.752 0.122 -2.453 1.00 0.00 N ATOM 1130 CA VAL A 77 -6.299 1.449 -2.197 1.00 0.00 C ATOM 1131 C VAL A 77 -7.805 1.477 -2.430 1.00 0.00 C ATOM 1132 O VAL A 77 -8.587 1.848 -1.554 1.00 0.00 O ATOM 1133 CB VAL A 77 -5.633 2.512 -3.091 1.00 0.00 C ATOM 1134 CG1 VAL A 77 -6.598 3.652 -3.375 1.00 0.00 C ATOM 1135 CG2 VAL A 77 -4.358 3.030 -2.442 1.00 0.00 C ATOM 0 H VAL A 77 -4.945 0.112 -3.077 1.00 0.00 H new ATOM 0 HA VAL A 77 -6.091 1.681 -1.152 1.00 0.00 H new ATOM 0 HB VAL A 77 -5.368 2.048 -4.041 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -6.110 4.393 -4.008 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -7.480 3.264 -3.885 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -6.897 4.118 -2.436 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -3.900 3.780 -3.087 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -4.597 3.478 -1.477 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -3.662 2.204 -2.296 1.00 0.00 H new ATOM 1145 N PRO A 78 -8.225 1.075 -3.639 1.00 0.00 N ATOM 1146 CA PRO A 78 -9.641 1.044 -4.015 1.00 0.00 C ATOM 1147 C PRO A 78 -10.413 -0.045 -3.277 1.00 0.00 C ATOM 1148 O PRO A 78 -11.603 -0.250 -3.521 1.00 0.00 O ATOM 1149 CB PRO A 78 -9.603 0.748 -5.517 1.00 0.00 C ATOM 1150 CG PRO A 78 -8.311 0.038 -5.730 1.00 0.00 C ATOM 1151 CD PRO A 78 -7.349 0.620 -4.732 1.00 0.00 C ATOM 0 HA PRO A 78 -10.150 1.974 -3.763 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -10.449 0.131 -5.820 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -9.652 1.666 -6.103 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -8.426 -1.036 -5.580 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -7.951 0.181 -6.749 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -6.629 -0.123 -4.387 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -6.777 1.444 -5.158 1.00 0.00 H new ATOM 1159 N LEU A 79 -9.730 -0.740 -2.375 1.00 0.00 N ATOM 1160 CA LEU A 79 -10.352 -1.808 -1.600 1.00 0.00 C ATOM 1161 C LEU A 79 -10.555 -1.381 -0.150 1.00 0.00 C ATOM 1162 O LEU A 79 -11.340 -1.985 0.581 1.00 0.00 O ATOM 1163 CB LEU A 79 -9.493 -3.072 -1.657 1.00 0.00 C ATOM 1164 CG LEU A 79 -9.031 -3.509 -3.047 1.00 0.00 C ATOM 1165 CD1 LEU A 79 -8.582 -4.962 -3.029 1.00 0.00 C ATOM 1166 CD2 LEU A 79 -10.143 -3.304 -4.067 1.00 0.00 C ATOM 0 H LEU A 79 -8.745 -0.583 -2.162 1.00 0.00 H new ATOM 0 HA LEU A 79 -11.328 -2.020 -2.036 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -8.611 -2.916 -1.036 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -10.057 -3.891 -1.210 1.00 0.00 H new ATOM 0 HG LEU A 79 -8.181 -2.892 -3.337 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -8.257 -5.255 -4.027 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -7.755 -5.078 -2.329 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -9.412 -5.596 -2.718 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -9.797 -3.620 -5.051 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -11.013 -3.895 -3.781 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -10.416 -2.249 -4.100 1.00 0.00 H new ATOM 1178 N MET A 80 -9.843 -0.336 0.259 1.00 0.00 N ATOM 1179 CA MET A 80 -9.949 0.173 1.622 1.00 0.00 C ATOM 1180 C MET A 80 -10.698 1.502 1.649 1.00 0.00 C ATOM 1181 O MET A 80 -10.732 2.226 0.655 1.00 0.00 O ATOM 1182 CB MET A 80 -8.557 0.346 2.233 1.00 0.00 C ATOM 1183 CG MET A 80 -7.729 1.431 1.563 1.00 0.00 C ATOM 1184 SD MET A 80 -5.956 1.131 1.690 1.00 0.00 S ATOM 1185 CE MET A 80 -5.724 1.220 3.464 1.00 0.00 C ATOM 0 H MET A 80 -9.187 0.174 -0.333 1.00 0.00 H new ATOM 0 HA MET A 80 -10.510 -0.552 2.212 1.00 0.00 H new ATOM 0 HB2 MET A 80 -8.661 0.582 3.292 1.00 0.00 H new ATOM 0 HB3 MET A 80 -8.021 -0.601 2.168 1.00 0.00 H new ATOM 0 HG2 MET A 80 -8.008 1.498 0.511 1.00 0.00 H new ATOM 0 HG3 MET A 80 -7.964 2.394 2.017 1.00 0.00 H new ATOM 0 HE1 MET A 80 -4.919 0.547 3.760 1.00 0.00 H new ATOM 0 HE2 MET A 80 -5.466 2.241 3.746 1.00 0.00 H new ATOM 0 HE3 MET A 80 -6.646 0.926 3.967 1.00 0.00 H new ATOM 1195 N ASP A 81 -11.296 1.815 2.793 1.00 0.00 N ATOM 1196 CA ASP A 81 -12.044 3.057 2.950 1.00 0.00 C ATOM 1197 C ASP A 81 -11.141 4.174 3.463 1.00 0.00 C ATOM 1198 O ASP A 81 -10.054 3.919 3.982 1.00 0.00 O ATOM 1199 CB ASP A 81 -13.218 2.852 3.909 1.00 0.00 C ATOM 1200 CG ASP A 81 -14.171 1.773 3.435 1.00 0.00 C ATOM 1201 OD1 ASP A 81 -14.636 1.857 2.278 1.00 0.00 O ATOM 1202 OD2 ASP A 81 -14.452 0.843 4.220 1.00 0.00 O ATOM 0 H ASP A 81 -11.277 1.226 3.625 1.00 0.00 H new ATOM 0 HA ASP A 81 -12.430 3.346 1.972 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -12.836 2.588 4.895 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -13.762 3.790 4.019 1.00 0.00 H new ATOM 1207 N VAL A 82 -11.598 5.413 3.314 1.00 0.00 N ATOM 1208 CA VAL A 82 -10.832 6.570 3.762 1.00 0.00 C ATOM 1209 C VAL A 82 -10.783 6.640 5.284 1.00 0.00 C ATOM 1210 O VAL A 82 -11.785 6.932 5.935 1.00 0.00 O ATOM 1211 CB VAL A 82 -11.426 7.882 3.217 1.00 0.00 C ATOM 1212 CG1 VAL A 82 -12.946 7.835 3.251 1.00 0.00 C ATOM 1213 CG2 VAL A 82 -10.903 9.072 4.007 1.00 0.00 C ATOM 0 H VAL A 82 -12.495 5.642 2.886 1.00 0.00 H new ATOM 0 HA VAL A 82 -9.821 6.450 3.374 1.00 0.00 H new ATOM 0 HB VAL A 82 -11.114 7.999 2.179 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -13.348 8.771 2.862 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -13.298 7.006 2.637 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -13.283 7.695 4.278 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -11.333 9.991 3.608 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -11.184 8.965 5.055 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -9.817 9.114 3.925 1.00 0.00 H new ATOM 1223 N GLY A 83 -9.608 6.371 5.846 1.00 0.00 N ATOM 1224 CA GLY A 83 -9.450 6.410 7.288 1.00 0.00 C ATOM 1225 C GLY A 83 -9.252 5.031 7.887 1.00 0.00 C ATOM 1226 O GLY A 83 -9.307 4.863 9.105 1.00 0.00 O ATOM 0 H GLY A 83 -8.764 6.127 5.329 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -8.596 7.038 7.540 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -10.330 6.874 7.734 1.00 0.00 H new ATOM 1230 N GLU A 84 -9.021 4.042 7.029 1.00 0.00 N ATOM 1231 CA GLU A 84 -8.817 2.671 7.481 1.00 0.00 C ATOM 1232 C GLU A 84 -7.417 2.182 7.120 1.00 0.00 C ATOM 1233 O GLU A 84 -7.058 2.101 5.945 1.00 0.00 O ATOM 1234 CB GLU A 84 -9.867 1.745 6.864 1.00 0.00 C ATOM 1235 CG GLU A 84 -9.429 0.292 6.790 1.00 0.00 C ATOM 1236 CD GLU A 84 -10.448 -0.589 6.094 1.00 0.00 C ATOM 1237 OE1 GLU A 84 -11.398 -1.043 6.765 1.00 0.00 O ATOM 1238 OE2 GLU A 84 -10.294 -0.825 4.877 1.00 0.00 O ATOM 0 H GLU A 84 -8.971 4.165 6.018 1.00 0.00 H new ATOM 0 HA GLU A 84 -8.921 2.654 8.566 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -10.785 1.810 7.449 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -10.103 2.096 5.860 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -8.478 0.229 6.261 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -9.258 -0.084 7.799 1.00 0.00 H new ATOM 1245 N THR A 85 -6.629 1.858 8.141 1.00 0.00 N ATOM 1246 CA THR A 85 -5.268 1.379 7.933 1.00 0.00 C ATOM 1247 C THR A 85 -5.254 -0.106 7.589 1.00 0.00 C ATOM 1248 O THR A 85 -5.724 -0.937 8.366 1.00 0.00 O ATOM 1249 CB THR A 85 -4.393 1.614 9.179 1.00 0.00 C ATOM 1250 OG1 THR A 85 -4.393 3.005 9.521 1.00 0.00 O ATOM 1251 CG2 THR A 85 -2.966 1.147 8.934 1.00 0.00 C ATOM 0 H THR A 85 -6.910 1.919 9.120 1.00 0.00 H new ATOM 0 HA THR A 85 -4.858 1.946 7.098 1.00 0.00 H new ATOM 0 HB THR A 85 -4.811 1.037 10.004 1.00 0.00 H new ATOM 0 HG1 THR A 85 -3.836 3.147 10.315 1.00 0.00 H new ATOM 0 HG21 THR A 85 -2.367 1.323 9.828 1.00 0.00 H new ATOM 0 HG22 THR A 85 -2.967 0.082 8.702 1.00 0.00 H new ATOM 0 HG23 THR A 85 -2.541 1.701 8.097 1.00 0.00 H new ATOM 1259 N ALA A 86 -4.712 -0.434 6.421 1.00 0.00 N ATOM 1260 CA ALA A 86 -4.635 -1.819 5.976 1.00 0.00 C ATOM 1261 C ALA A 86 -3.244 -2.149 5.444 1.00 0.00 C ATOM 1262 O ALA A 86 -2.639 -1.352 4.727 1.00 0.00 O ATOM 1263 CB ALA A 86 -5.687 -2.092 4.912 1.00 0.00 C ATOM 0 H ALA A 86 -4.319 0.242 5.765 1.00 0.00 H new ATOM 0 HA ALA A 86 -4.829 -2.461 6.835 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -5.617 -3.131 4.589 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -6.679 -1.906 5.325 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -5.520 -1.435 4.058 1.00 0.00 H new ATOM 1269 N MET A 87 -2.742 -3.326 5.802 1.00 0.00 N ATOM 1270 CA MET A 87 -1.422 -3.760 5.359 1.00 0.00 C ATOM 1271 C MET A 87 -1.532 -4.695 4.158 1.00 0.00 C ATOM 1272 O MET A 87 -2.546 -5.368 3.973 1.00 0.00 O ATOM 1273 CB MET A 87 -0.683 -4.461 6.500 1.00 0.00 C ATOM 1274 CG MET A 87 0.659 -5.043 6.088 1.00 0.00 C ATOM 1275 SD MET A 87 1.731 -5.383 7.498 1.00 0.00 S ATOM 1276 CE MET A 87 2.366 -3.744 7.844 1.00 0.00 C ATOM 0 H MET A 87 -3.229 -3.996 6.397 1.00 0.00 H new ATOM 0 HA MET A 87 -0.858 -2.877 5.059 1.00 0.00 H new ATOM 0 HB2 MET A 87 -0.528 -3.751 7.312 1.00 0.00 H new ATOM 0 HB3 MET A 87 -1.312 -5.261 6.892 1.00 0.00 H new ATOM 0 HG2 MET A 87 0.495 -5.965 5.531 1.00 0.00 H new ATOM 0 HG3 MET A 87 1.161 -4.348 5.414 1.00 0.00 H new ATOM 0 HE1 MET A 87 3.198 -3.817 8.544 1.00 0.00 H new ATOM 0 HE2 MET A 87 2.710 -3.284 6.918 1.00 0.00 H new ATOM 0 HE3 MET A 87 1.576 -3.133 8.281 1.00 0.00 H new ATOM 1286 N VAL A 88 -0.481 -4.732 3.345 1.00 0.00 N ATOM 1287 CA VAL A 88 -0.459 -5.585 2.163 1.00 0.00 C ATOM 1288 C VAL A 88 0.899 -6.259 1.997 1.00 0.00 C ATOM 1289 O VAL A 88 1.942 -5.610 2.085 1.00 0.00 O ATOM 1290 CB VAL A 88 -0.782 -4.785 0.887 1.00 0.00 C ATOM 1291 CG1 VAL A 88 -2.127 -4.087 1.021 1.00 0.00 C ATOM 1292 CG2 VAL A 88 0.322 -3.780 0.595 1.00 0.00 C ATOM 0 H VAL A 88 0.366 -4.181 3.483 1.00 0.00 H new ATOM 0 HA VAL A 88 -1.225 -6.347 2.308 1.00 0.00 H new ATOM 0 HB VAL A 88 -0.841 -5.479 0.049 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -2.339 -3.527 0.110 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -2.908 -4.830 1.180 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -2.099 -3.403 1.869 1.00 0.00 H new ATOM 0 HG21 VAL A 88 0.077 -3.224 -0.310 1.00 0.00 H new ATOM 0 HG22 VAL A 88 0.415 -3.088 1.432 1.00 0.00 H new ATOM 0 HG23 VAL A 88 1.266 -4.307 0.453 1.00 0.00 H new ATOM 1302 N THR A 89 0.879 -7.566 1.755 1.00 0.00 N ATOM 1303 CA THR A 89 2.108 -8.329 1.577 1.00 0.00 C ATOM 1304 C THR A 89 2.042 -9.192 0.322 1.00 0.00 C ATOM 1305 O THR A 89 1.428 -10.259 0.323 1.00 0.00 O ATOM 1306 CB THR A 89 2.391 -9.231 2.793 1.00 0.00 C ATOM 1307 OG1 THR A 89 1.207 -9.952 3.154 1.00 0.00 O ATOM 1308 CG2 THR A 89 2.870 -8.407 3.978 1.00 0.00 C ATOM 0 H THR A 89 0.025 -8.118 1.678 1.00 0.00 H new ATOM 0 HA THR A 89 2.917 -7.606 1.475 1.00 0.00 H new ATOM 0 HB THR A 89 3.176 -9.936 2.520 1.00 0.00 H new ATOM 0 HG1 THR A 89 0.804 -10.343 2.351 1.00 0.00 H new ATOM 0 HG21 THR A 89 3.063 -9.066 4.825 1.00 0.00 H new ATOM 0 HG22 THR A 89 3.787 -7.882 3.709 1.00 0.00 H new ATOM 0 HG23 THR A 89 2.103 -7.682 4.250 1.00 0.00 H new ATOM 1316 N ALA A 90 2.679 -8.725 -0.746 1.00 0.00 N ATOM 1317 CA ALA A 90 2.695 -9.457 -2.007 1.00 0.00 C ATOM 1318 C ALA A 90 4.121 -9.801 -2.424 1.00 0.00 C ATOM 1319 O ALA A 90 5.085 -9.333 -1.818 1.00 0.00 O ATOM 1320 CB ALA A 90 2.006 -8.647 -3.095 1.00 0.00 C ATOM 0 H ALA A 90 3.191 -7.843 -0.764 1.00 0.00 H new ATOM 0 HA ALA A 90 2.151 -10.391 -1.864 1.00 0.00 H new ATOM 0 HB1 ALA A 90 2.025 -9.205 -4.031 1.00 0.00 H new ATOM 0 HB2 ALA A 90 0.972 -8.456 -2.807 1.00 0.00 H new ATOM 0 HB3 ALA A 90 2.527 -7.699 -3.227 1.00 0.00 H new ATOM 1326 N ASP A 91 4.247 -10.622 -3.461 1.00 0.00 N ATOM 1327 CA ASP A 91 5.555 -11.029 -3.959 1.00 0.00 C ATOM 1328 C ASP A 91 6.187 -9.921 -4.795 1.00 0.00 C ATOM 1329 O ASP A 91 5.487 -9.103 -5.392 1.00 0.00 O ATOM 1330 CB ASP A 91 5.433 -12.306 -4.792 1.00 0.00 C ATOM 1331 CG ASP A 91 6.739 -12.690 -5.459 1.00 0.00 C ATOM 1332 OD1 ASP A 91 7.664 -13.128 -4.744 1.00 0.00 O ATOM 1333 OD2 ASP A 91 6.837 -12.551 -6.697 1.00 0.00 O ATOM 0 H ASP A 91 3.459 -11.019 -3.973 1.00 0.00 H new ATOM 0 HA ASP A 91 6.198 -11.224 -3.101 1.00 0.00 H new ATOM 0 HB2 ASP A 91 5.101 -13.123 -4.152 1.00 0.00 H new ATOM 0 HB3 ASP A 91 4.666 -12.167 -5.554 1.00 0.00 H new ATOM 1338 N SER A 92 7.516 -9.899 -4.833 1.00 0.00 N ATOM 1339 CA SER A 92 8.243 -8.888 -5.591 1.00 0.00 C ATOM 1340 C SER A 92 7.553 -8.608 -6.923 1.00 0.00 C ATOM 1341 O SER A 92 7.498 -7.466 -7.380 1.00 0.00 O ATOM 1342 CB SER A 92 9.684 -9.340 -5.835 1.00 0.00 C ATOM 1343 OG SER A 92 9.787 -10.090 -7.033 1.00 0.00 O ATOM 0 H SER A 92 8.111 -10.570 -4.347 1.00 0.00 H new ATOM 0 HA SER A 92 8.253 -7.968 -5.006 1.00 0.00 H new ATOM 0 HB2 SER A 92 10.337 -8.469 -5.890 1.00 0.00 H new ATOM 0 HB3 SER A 92 10.027 -9.943 -4.994 1.00 0.00 H new ATOM 0 HG SER A 92 10.405 -9.641 -7.648 1.00 0.00 H new ATOM 1349 N LYS A 93 7.029 -9.660 -7.543 1.00 0.00 N ATOM 1350 CA LYS A 93 6.341 -9.530 -8.822 1.00 0.00 C ATOM 1351 C LYS A 93 5.386 -8.341 -8.809 1.00 0.00 C ATOM 1352 O LYS A 93 5.352 -7.550 -9.752 1.00 0.00 O ATOM 1353 CB LYS A 93 5.570 -10.813 -9.142 1.00 0.00 C ATOM 1354 CG LYS A 93 4.400 -11.069 -8.208 1.00 0.00 C ATOM 1355 CD LYS A 93 4.008 -12.537 -8.195 1.00 0.00 C ATOM 1356 CE LYS A 93 3.833 -13.080 -9.605 1.00 0.00 C ATOM 1357 NZ LYS A 93 2.599 -12.555 -10.252 1.00 0.00 N ATOM 0 H LYS A 93 7.068 -10.613 -7.180 1.00 0.00 H new ATOM 0 HA LYS A 93 7.092 -9.361 -9.594 1.00 0.00 H new ATOM 0 HB2 LYS A 93 5.201 -10.759 -10.166 1.00 0.00 H new ATOM 0 HB3 LYS A 93 6.255 -11.660 -9.094 1.00 0.00 H new ATOM 0 HG2 LYS A 93 4.663 -10.753 -7.199 1.00 0.00 H new ATOM 0 HG3 LYS A 93 3.547 -10.466 -8.519 1.00 0.00 H new ATOM 0 HD2 LYS A 93 4.772 -13.114 -7.674 1.00 0.00 H new ATOM 0 HD3 LYS A 93 3.079 -12.662 -7.638 1.00 0.00 H new ATOM 0 HE2 LYS A 93 4.701 -12.812 -10.208 1.00 0.00 H new ATOM 0 HE3 LYS A 93 3.791 -14.169 -9.572 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 2.078 -13.339 -10.694 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 1.998 -12.101 -9.535 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 2.858 -11.858 -10.979 1.00 0.00 H new ATOM 1371 N TYR A 94 4.614 -8.220 -7.735 1.00 0.00 N ATOM 1372 CA TYR A 94 3.658 -7.127 -7.599 1.00 0.00 C ATOM 1373 C TYR A 94 4.340 -5.869 -7.070 1.00 0.00 C ATOM 1374 O TYR A 94 3.779 -4.774 -7.129 1.00 0.00 O ATOM 1375 CB TYR A 94 2.517 -7.533 -6.666 1.00 0.00 C ATOM 1376 CG TYR A 94 1.729 -8.727 -7.156 1.00 0.00 C ATOM 1377 CD1 TYR A 94 0.771 -8.590 -8.153 1.00 0.00 C ATOM 1378 CD2 TYR A 94 1.942 -9.992 -6.622 1.00 0.00 C ATOM 1379 CE1 TYR A 94 0.048 -9.678 -8.603 1.00 0.00 C ATOM 1380 CE2 TYR A 94 1.226 -11.086 -7.067 1.00 0.00 C ATOM 1381 CZ TYR A 94 0.280 -10.924 -8.058 1.00 0.00 C ATOM 1382 OH TYR A 94 -0.437 -12.010 -8.503 1.00 0.00 O ATOM 0 H TYR A 94 4.631 -8.865 -6.945 1.00 0.00 H new ATOM 0 HA TYR A 94 3.251 -6.909 -8.586 1.00 0.00 H new ATOM 0 HB2 TYR A 94 2.927 -7.758 -5.681 1.00 0.00 H new ATOM 0 HB3 TYR A 94 1.840 -6.687 -6.544 1.00 0.00 H new ATOM 0 HD1 TYR A 94 0.588 -7.617 -8.584 1.00 0.00 H new ATOM 0 HD2 TYR A 94 2.681 -10.122 -5.845 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -0.695 -9.554 -9.377 1.00 0.00 H new ATOM 0 HE2 TYR A 94 1.406 -12.062 -6.642 1.00 0.00 H new ATOM 0 HH TYR A 94 -0.881 -11.785 -9.347 1.00 0.00 H new ATOM 1392 N CYS A 95 5.553 -6.034 -6.555 1.00 0.00 N ATOM 1393 CA CYS A 95 6.314 -4.913 -6.014 1.00 0.00 C ATOM 1394 C CYS A 95 7.048 -4.169 -7.125 1.00 0.00 C ATOM 1395 O CYS A 95 6.711 -3.031 -7.452 1.00 0.00 O ATOM 1396 CB CYS A 95 7.313 -5.405 -4.966 1.00 0.00 C ATOM 1397 SG CYS A 95 6.588 -6.472 -3.699 1.00 0.00 S ATOM 0 H CYS A 95 6.031 -6.933 -6.500 1.00 0.00 H new ATOM 0 HA CYS A 95 5.614 -4.225 -5.541 1.00 0.00 H new ATOM 0 HB2 CYS A 95 8.113 -5.948 -5.469 1.00 0.00 H new ATOM 0 HB3 CYS A 95 7.769 -4.542 -4.481 1.00 0.00 H new ATOM 0 HG CYS A 95 7.511 -6.839 -2.860 1.00 0.00 H new ATOM 1403 N TYR A 96 8.054 -4.818 -7.700 1.00 0.00 N ATOM 1404 CA TYR A 96 8.840 -4.216 -8.771 1.00 0.00 C ATOM 1405 C TYR A 96 9.015 -5.191 -9.931 1.00 0.00 C ATOM 1406 O TYR A 96 9.056 -4.790 -11.093 1.00 0.00 O ATOM 1407 CB TYR A 96 10.208 -3.780 -8.245 1.00 0.00 C ATOM 1408 CG TYR A 96 10.143 -2.618 -7.280 1.00 0.00 C ATOM 1409 CD1 TYR A 96 9.849 -2.820 -5.937 1.00 0.00 C ATOM 1410 CD2 TYR A 96 10.378 -1.318 -7.710 1.00 0.00 C ATOM 1411 CE1 TYR A 96 9.788 -1.761 -5.052 1.00 0.00 C ATOM 1412 CE2 TYR A 96 10.320 -0.253 -6.832 1.00 0.00 C ATOM 1413 CZ TYR A 96 10.025 -0.480 -5.504 1.00 0.00 C ATOM 1414 OH TYR A 96 9.966 0.577 -4.625 1.00 0.00 O ATOM 0 H TYR A 96 8.345 -5.761 -7.443 1.00 0.00 H new ATOM 0 HA TYR A 96 8.303 -3.340 -9.134 1.00 0.00 H new ATOM 0 HB2 TYR A 96 10.684 -4.626 -7.750 1.00 0.00 H new ATOM 0 HB3 TYR A 96 10.842 -3.506 -9.088 1.00 0.00 H new ATOM 0 HD1 TYR A 96 9.665 -3.822 -5.579 1.00 0.00 H new ATOM 0 HD2 TYR A 96 10.610 -1.137 -8.749 1.00 0.00 H new ATOM 0 HE1 TYR A 96 9.556 -1.935 -4.012 1.00 0.00 H new ATOM 0 HE2 TYR A 96 10.505 0.751 -7.183 1.00 0.00 H new ATOM 0 HH TYR A 96 10.158 1.411 -5.103 1.00 0.00 H new ATOM 1424 N GLY A 97 9.118 -6.476 -9.606 1.00 0.00 N ATOM 1425 CA GLY A 97 9.288 -7.490 -10.630 1.00 0.00 C ATOM 1426 C GLY A 97 10.398 -8.468 -10.300 1.00 0.00 C ATOM 1427 O GLY A 97 11.258 -8.204 -9.459 1.00 0.00 O ATOM 0 H GLY A 97 9.087 -6.833 -8.651 1.00 0.00 H new ATOM 0 HA2 GLY A 97 8.353 -8.036 -10.755 1.00 0.00 H new ATOM 0 HA3 GLY A 97 9.505 -7.007 -11.583 1.00 0.00 H new ATOM 1431 N PRO A 98 10.389 -9.628 -10.972 1.00 0.00 N ATOM 1432 CA PRO A 98 11.395 -10.673 -10.762 1.00 0.00 C ATOM 1433 C PRO A 98 12.769 -10.269 -11.286 1.00 0.00 C ATOM 1434 O PRO A 98 13.720 -11.048 -11.226 1.00 0.00 O ATOM 1435 CB PRO A 98 10.847 -11.859 -11.559 1.00 0.00 C ATOM 1436 CG PRO A 98 9.988 -11.245 -12.610 1.00 0.00 C ATOM 1437 CD PRO A 98 9.395 -10.010 -11.990 1.00 0.00 C ATOM 0 HA PRO A 98 11.546 -10.886 -9.704 1.00 0.00 H new ATOM 0 HB2 PRO A 98 11.653 -12.446 -12.000 1.00 0.00 H new ATOM 0 HB3 PRO A 98 10.273 -12.532 -10.922 1.00 0.00 H new ATOM 0 HG2 PRO A 98 10.573 -10.995 -13.495 1.00 0.00 H new ATOM 0 HG3 PRO A 98 9.207 -11.935 -12.928 1.00 0.00 H new ATOM 0 HD2 PRO A 98 9.251 -9.220 -12.727 1.00 0.00 H new ATOM 0 HD3 PRO A 98 8.421 -10.212 -11.545 1.00 0.00 H new ATOM 1445 N GLN A 99 12.865 -9.046 -11.799 1.00 0.00 N ATOM 1446 CA GLN A 99 14.124 -8.539 -12.333 1.00 0.00 C ATOM 1447 C GLN A 99 14.785 -7.578 -11.350 1.00 0.00 C ATOM 1448 O GLN A 99 16.009 -7.464 -11.306 1.00 0.00 O ATOM 1449 CB GLN A 99 13.888 -7.837 -13.671 1.00 0.00 C ATOM 1450 CG GLN A 99 13.078 -6.556 -13.552 1.00 0.00 C ATOM 1451 CD GLN A 99 12.999 -5.791 -14.858 1.00 0.00 C ATOM 1452 OE1 GLN A 99 13.571 -4.709 -14.993 1.00 0.00 O ATOM 1453 NE2 GLN A 99 12.287 -6.351 -15.830 1.00 0.00 N ATOM 0 H GLN A 99 12.087 -8.389 -11.856 1.00 0.00 H new ATOM 0 HA GLN A 99 14.792 -9.386 -12.488 1.00 0.00 H new ATOM 0 HB2 GLN A 99 14.851 -7.607 -14.126 1.00 0.00 H new ATOM 0 HB3 GLN A 99 13.373 -8.521 -14.345 1.00 0.00 H new ATOM 0 HG2 GLN A 99 12.070 -6.798 -13.216 1.00 0.00 H new ATOM 0 HG3 GLN A 99 13.524 -5.919 -12.789 1.00 0.00 H new ATOM 0 HE21 GLN A 99 11.829 -7.249 -15.674 1.00 0.00 H new ATOM 0 HE22 GLN A 99 12.198 -5.883 -16.732 1.00 0.00 H new ATOM 1462 N GLY A 100 13.965 -6.888 -10.563 1.00 0.00 N ATOM 1463 CA GLY A 100 14.488 -5.945 -9.592 1.00 0.00 C ATOM 1464 C GLY A 100 14.157 -4.508 -9.942 1.00 0.00 C ATOM 1465 O GLY A 100 13.553 -4.238 -10.981 1.00 0.00 O ATOM 0 H GLY A 100 12.948 -6.965 -10.581 1.00 0.00 H new ATOM 0 HA2 GLY A 100 14.082 -6.179 -8.608 1.00 0.00 H new ATOM 0 HA3 GLY A 100 15.570 -6.059 -9.525 1.00 0.00 H new ATOM 1529 N TYR A 105 16.693 0.563 -5.513 1.00 0.00 N ATOM 1530 CA TYR A 105 16.927 -0.779 -6.033 1.00 0.00 C ATOM 1531 C TYR A 105 16.360 -1.835 -5.090 1.00 0.00 C ATOM 1532 O TYR A 105 16.330 -1.645 -3.874 1.00 0.00 O ATOM 1533 CB TYR A 105 18.424 -1.014 -6.241 1.00 0.00 C ATOM 1534 CG TYR A 105 18.773 -2.451 -6.555 1.00 0.00 C ATOM 1535 CD1 TYR A 105 18.690 -3.437 -5.579 1.00 0.00 C ATOM 1536 CD2 TYR A 105 19.187 -2.824 -7.828 1.00 0.00 C ATOM 1537 CE1 TYR A 105 19.008 -4.751 -5.862 1.00 0.00 C ATOM 1538 CE2 TYR A 105 19.506 -4.136 -8.120 1.00 0.00 C ATOM 1539 CZ TYR A 105 19.415 -5.096 -7.134 1.00 0.00 C ATOM 1540 OH TYR A 105 19.734 -6.403 -7.420 1.00 0.00 O ATOM 0 HA TYR A 105 16.416 -0.864 -6.992 1.00 0.00 H new ATOM 0 HB2 TYR A 105 18.774 -0.378 -7.054 1.00 0.00 H new ATOM 0 HB3 TYR A 105 18.960 -0.707 -5.343 1.00 0.00 H new ATOM 0 HD1 TYR A 105 18.371 -3.171 -4.582 1.00 0.00 H new ATOM 0 HD2 TYR A 105 19.261 -2.075 -8.603 1.00 0.00 H new ATOM 0 HE1 TYR A 105 18.938 -5.504 -5.091 1.00 0.00 H new ATOM 0 HE2 TYR A 105 19.825 -4.409 -9.115 1.00 0.00 H new ATOM 0 HH TYR A 105 20.000 -6.477 -8.360 1.00 0.00 H new ATOM 1550 N ILE A 106 15.913 -2.949 -5.660 1.00 0.00 N ATOM 1551 CA ILE A 106 15.349 -4.037 -4.871 1.00 0.00 C ATOM 1552 C ILE A 106 15.638 -5.390 -5.514 1.00 0.00 C ATOM 1553 O ILE A 106 15.596 -5.546 -6.734 1.00 0.00 O ATOM 1554 CB ILE A 106 13.827 -3.878 -4.700 1.00 0.00 C ATOM 1555 CG1 ILE A 106 13.093 -4.424 -5.926 1.00 0.00 C ATOM 1556 CG2 ILE A 106 13.470 -2.417 -4.469 1.00 0.00 C ATOM 1557 CD1 ILE A 106 12.865 -5.919 -5.878 1.00 0.00 C ATOM 0 H ILE A 106 15.931 -3.122 -6.665 1.00 0.00 H new ATOM 0 HA ILE A 106 15.823 -3.994 -3.891 1.00 0.00 H new ATOM 0 HB ILE A 106 13.513 -4.451 -3.828 1.00 0.00 H new ATOM 0 HG12 ILE A 106 12.130 -3.921 -6.017 1.00 0.00 H new ATOM 0 HG13 ILE A 106 13.666 -4.181 -6.821 1.00 0.00 H new ATOM 0 HG21 ILE A 106 12.391 -2.321 -4.350 1.00 0.00 H new ATOM 0 HG22 ILE A 106 13.968 -2.059 -3.568 1.00 0.00 H new ATOM 0 HG23 ILE A 106 13.795 -1.823 -5.323 1.00 0.00 H new ATOM 0 HD11 ILE A 106 12.340 -6.236 -6.779 1.00 0.00 H new ATOM 0 HD12 ILE A 106 13.825 -6.432 -5.818 1.00 0.00 H new ATOM 0 HD13 ILE A 106 12.266 -6.168 -5.002 1.00 0.00 H new ATOM 1569 N PRO A 107 15.938 -6.392 -4.675 1.00 0.00 N ATOM 1570 CA PRO A 107 16.238 -7.750 -5.138 1.00 0.00 C ATOM 1571 C PRO A 107 15.007 -8.456 -5.697 1.00 0.00 C ATOM 1572 O PRO A 107 13.881 -8.243 -5.248 1.00 0.00 O ATOM 1573 CB PRO A 107 16.730 -8.456 -3.872 1.00 0.00 C ATOM 1574 CG PRO A 107 16.100 -7.706 -2.750 1.00 0.00 C ATOM 1575 CD PRO A 107 16.007 -6.276 -3.208 1.00 0.00 C ATOM 0 HA PRO A 107 16.962 -7.752 -5.953 1.00 0.00 H new ATOM 0 HB2 PRO A 107 16.433 -9.505 -3.863 1.00 0.00 H new ATOM 0 HB3 PRO A 107 17.818 -8.432 -3.803 1.00 0.00 H new ATOM 0 HG2 PRO A 107 15.113 -8.107 -2.518 1.00 0.00 H new ATOM 0 HG3 PRO A 107 16.698 -7.787 -1.842 1.00 0.00 H new ATOM 0 HD2 PRO A 107 15.125 -5.780 -2.802 1.00 0.00 H new ATOM 0 HD3 PRO A 107 16.873 -5.695 -2.891 1.00 0.00 H new ATOM 1583 N PRO A 108 15.225 -9.318 -6.702 1.00 0.00 N ATOM 1584 CA PRO A 108 14.145 -10.074 -7.344 1.00 0.00 C ATOM 1585 C PRO A 108 13.559 -11.140 -6.425 1.00 0.00 C ATOM 1586 O PRO A 108 14.221 -11.607 -5.498 1.00 0.00 O ATOM 1587 CB PRO A 108 14.833 -10.724 -8.547 1.00 0.00 C ATOM 1588 CG PRO A 108 16.268 -10.818 -8.156 1.00 0.00 C ATOM 1589 CD PRO A 108 16.541 -9.621 -7.288 1.00 0.00 C ATOM 0 HA PRO A 108 13.303 -9.435 -7.611 1.00 0.00 H new ATOM 0 HB2 PRO A 108 14.415 -11.708 -8.758 1.00 0.00 H new ATOM 0 HB3 PRO A 108 14.706 -10.124 -9.448 1.00 0.00 H new ATOM 0 HG2 PRO A 108 16.465 -11.744 -7.616 1.00 0.00 H new ATOM 0 HG3 PRO A 108 16.913 -10.818 -9.035 1.00 0.00 H new ATOM 0 HD2 PRO A 108 17.282 -9.842 -6.520 1.00 0.00 H new ATOM 0 HD3 PRO A 108 16.925 -8.782 -7.869 1.00 0.00 H new ATOM 1597 N HIS A 109 12.313 -11.523 -6.689 1.00 0.00 N ATOM 1598 CA HIS A 109 11.638 -12.536 -5.886 1.00 0.00 C ATOM 1599 C HIS A 109 11.777 -12.231 -4.398 1.00 0.00 C ATOM 1600 O HIS A 109 11.782 -13.138 -3.566 1.00 0.00 O ATOM 1601 CB HIS A 109 12.208 -13.921 -6.190 1.00 0.00 C ATOM 1602 CG HIS A 109 12.195 -14.268 -7.647 1.00 0.00 C ATOM 1603 ND1 HIS A 109 13.178 -14.723 -8.458 1.00 0.00 N flip ATOM 1604 CD2 HIS A 109 11.069 -14.159 -8.436 1.00 0.00 C flip ATOM 1605 CE1 HIS A 109 12.634 -14.880 -9.709 1.00 0.00 C flip ATOM 1606 NE2 HIS A 109 11.360 -14.533 -9.669 1.00 0.00 N flip ATOM 0 H HIS A 109 11.751 -11.147 -7.453 1.00 0.00 H new ATOM 0 HA HIS A 109 10.579 -12.523 -6.144 1.00 0.00 H new ATOM 0 HB2 HIS A 109 13.233 -13.972 -5.822 1.00 0.00 H new ATOM 0 HB3 HIS A 109 11.635 -14.669 -5.642 1.00 0.00 H new ATOM 0 HD1 HIS A 109 14.143 -14.914 -8.190 1.00 0.00 H new ATOM 0 HD2 HIS A 109 10.101 -13.821 -8.098 1.00 0.00 H new ATOM 0 HE1 HIS A 109 13.162 -15.230 -10.584 1.00 0.00 H new ATOM 1615 N ALA A 110 11.890 -10.948 -4.070 1.00 0.00 N ATOM 1616 CA ALA A 110 12.028 -10.524 -2.682 1.00 0.00 C ATOM 1617 C ALA A 110 10.777 -9.793 -2.205 1.00 0.00 C ATOM 1618 O ALA A 110 10.558 -8.631 -2.546 1.00 0.00 O ATOM 1619 CB ALA A 110 13.253 -9.637 -2.520 1.00 0.00 C ATOM 0 H ALA A 110 11.889 -10.184 -4.746 1.00 0.00 H new ATOM 0 HA ALA A 110 12.154 -11.415 -2.067 1.00 0.00 H new ATOM 0 HB1 ALA A 110 13.343 -9.328 -1.479 1.00 0.00 H new ATOM 0 HB2 ALA A 110 14.145 -10.191 -2.813 1.00 0.00 H new ATOM 0 HB3 ALA A 110 13.150 -8.755 -3.152 1.00 0.00 H new ATOM 1625 N ALA A 111 9.960 -10.481 -1.414 1.00 0.00 N ATOM 1626 CA ALA A 111 8.732 -9.897 -0.889 1.00 0.00 C ATOM 1627 C ALA A 111 9.025 -8.632 -0.090 1.00 0.00 C ATOM 1628 O ALA A 111 10.130 -8.450 0.422 1.00 0.00 O ATOM 1629 CB ALA A 111 7.992 -10.909 -0.028 1.00 0.00 C ATOM 0 H ALA A 111 10.127 -11.444 -1.123 1.00 0.00 H new ATOM 0 HA ALA A 111 8.098 -9.624 -1.733 1.00 0.00 H new ATOM 0 HB1 ALA A 111 7.077 -10.459 0.357 1.00 0.00 H new ATOM 0 HB2 ALA A 111 7.741 -11.783 -0.629 1.00 0.00 H new ATOM 0 HB3 ALA A 111 8.627 -11.211 0.805 1.00 0.00 H new ATOM 1635 N LEU A 112 8.028 -7.760 0.014 1.00 0.00 N ATOM 1636 CA LEU A 112 8.179 -6.510 0.751 1.00 0.00 C ATOM 1637 C LEU A 112 6.881 -6.137 1.461 1.00 0.00 C ATOM 1638 O LEU A 112 5.801 -6.195 0.872 1.00 0.00 O ATOM 1639 CB LEU A 112 8.598 -5.384 -0.195 1.00 0.00 C ATOM 1640 CG LEU A 112 9.897 -5.607 -0.970 1.00 0.00 C ATOM 1641 CD1 LEU A 112 9.896 -4.799 -2.258 1.00 0.00 C ATOM 1642 CD2 LEU A 112 11.100 -5.242 -0.111 1.00 0.00 C ATOM 0 H LEU A 112 7.107 -7.895 -0.402 1.00 0.00 H new ATOM 0 HA LEU A 112 8.956 -6.652 1.503 1.00 0.00 H new ATOM 0 HB2 LEU A 112 7.794 -5.221 -0.912 1.00 0.00 H new ATOM 0 HB3 LEU A 112 8.698 -4.467 0.386 1.00 0.00 H new ATOM 0 HG LEU A 112 9.966 -6.664 -1.228 1.00 0.00 H new ATOM 0 HD11 LEU A 112 10.828 -4.971 -2.796 1.00 0.00 H new ATOM 0 HD12 LEU A 112 9.056 -5.107 -2.880 1.00 0.00 H new ATOM 0 HD13 LEU A 112 9.803 -3.739 -2.022 1.00 0.00 H new ATOM 0 HD21 LEU A 112 12.016 -5.407 -0.679 1.00 0.00 H new ATOM 0 HD22 LEU A 112 11.036 -4.193 0.178 1.00 0.00 H new ATOM 0 HD23 LEU A 112 11.111 -5.865 0.784 1.00 0.00 H new ATOM 1654 N CYS A 113 6.995 -5.752 2.727 1.00 0.00 N ATOM 1655 CA CYS A 113 5.831 -5.367 3.517 1.00 0.00 C ATOM 1656 C CYS A 113 5.451 -3.914 3.253 1.00 0.00 C ATOM 1657 O CYS A 113 6.292 -3.017 3.329 1.00 0.00 O ATOM 1658 CB CYS A 113 6.109 -5.572 5.007 1.00 0.00 C ATOM 1659 SG CYS A 113 5.736 -7.236 5.606 1.00 0.00 S ATOM 0 H CYS A 113 7.882 -5.698 3.229 1.00 0.00 H new ATOM 0 HA CYS A 113 4.996 -6.001 3.220 1.00 0.00 H new ATOM 0 HB2 CYS A 113 7.159 -5.354 5.203 1.00 0.00 H new ATOM 0 HB3 CYS A 113 5.522 -4.852 5.577 1.00 0.00 H new ATOM 0 HG CYS A 113 6.006 -7.311 6.875 1.00 0.00 H new ATOM 1665 N LEU A 114 4.180 -3.688 2.941 1.00 0.00 N ATOM 1666 CA LEU A 114 3.687 -2.343 2.664 1.00 0.00 C ATOM 1667 C LEU A 114 2.426 -2.048 3.469 1.00 0.00 C ATOM 1668 O LEU A 114 1.455 -2.802 3.416 1.00 0.00 O ATOM 1669 CB LEU A 114 3.403 -2.180 1.170 1.00 0.00 C ATOM 1670 CG LEU A 114 4.450 -2.763 0.220 1.00 0.00 C ATOM 1671 CD1 LEU A 114 4.002 -2.611 -1.225 1.00 0.00 C ATOM 1672 CD2 LEU A 114 5.798 -2.091 0.436 1.00 0.00 C ATOM 0 H LEU A 114 3.472 -4.419 2.873 1.00 0.00 H new ATOM 0 HA LEU A 114 4.458 -1.632 2.960 1.00 0.00 H new ATOM 0 HB2 LEU A 114 2.443 -2.646 0.950 1.00 0.00 H new ATOM 0 HB3 LEU A 114 3.298 -1.117 0.954 1.00 0.00 H new ATOM 0 HG LEU A 114 4.558 -3.826 0.436 1.00 0.00 H new ATOM 0 HD11 LEU A 114 4.759 -3.031 -1.887 1.00 0.00 H new ATOM 0 HD12 LEU A 114 3.059 -3.138 -1.371 1.00 0.00 H new ATOM 0 HD13 LEU A 114 3.866 -1.554 -1.454 1.00 0.00 H new ATOM 0 HD21 LEU A 114 6.531 -2.518 -0.248 1.00 0.00 H new ATOM 0 HD22 LEU A 114 5.706 -1.021 0.248 1.00 0.00 H new ATOM 0 HD23 LEU A 114 6.124 -2.252 1.464 1.00 0.00 H new ATOM 1684 N GLU A 115 2.447 -0.945 4.211 1.00 0.00 N ATOM 1685 CA GLU A 115 1.304 -0.550 5.025 1.00 0.00 C ATOM 1686 C GLU A 115 0.565 0.625 4.392 1.00 0.00 C ATOM 1687 O GLU A 115 1.027 1.765 4.446 1.00 0.00 O ATOM 1688 CB GLU A 115 1.759 -0.179 6.438 1.00 0.00 C ATOM 1689 CG GLU A 115 0.635 -0.182 7.460 1.00 0.00 C ATOM 1690 CD GLU A 115 0.996 0.571 8.726 1.00 0.00 C ATOM 1691 OE1 GLU A 115 2.119 0.372 9.234 1.00 0.00 O ATOM 1692 OE2 GLU A 115 0.155 1.358 9.208 1.00 0.00 O ATOM 0 H GLU A 115 3.243 -0.310 4.265 1.00 0.00 H new ATOM 0 HA GLU A 115 0.621 -1.398 5.082 1.00 0.00 H new ATOM 0 HB2 GLU A 115 2.531 -0.879 6.757 1.00 0.00 H new ATOM 0 HB3 GLU A 115 2.216 0.811 6.415 1.00 0.00 H new ATOM 0 HG2 GLU A 115 -0.255 0.265 7.017 1.00 0.00 H new ATOM 0 HG3 GLU A 115 0.382 -1.212 7.714 1.00 0.00 H new ATOM 1699 N VAL A 116 -0.586 0.339 3.792 1.00 0.00 N ATOM 1700 CA VAL A 116 -1.391 1.371 3.149 1.00 0.00 C ATOM 1701 C VAL A 116 -2.374 1.994 4.133 1.00 0.00 C ATOM 1702 O VAL A 116 -3.121 1.290 4.813 1.00 0.00 O ATOM 1703 CB VAL A 116 -2.172 0.806 1.947 1.00 0.00 C ATOM 1704 CG1 VAL A 116 -2.814 1.932 1.151 1.00 0.00 C ATOM 1705 CG2 VAL A 116 -1.259 -0.029 1.063 1.00 0.00 C ATOM 0 H VAL A 116 -0.982 -0.599 3.738 1.00 0.00 H new ATOM 0 HA VAL A 116 -0.701 2.137 2.796 1.00 0.00 H new ATOM 0 HB VAL A 116 -2.965 0.160 2.323 1.00 0.00 H new ATOM 0 HG11 VAL A 116 -3.361 1.514 0.306 1.00 0.00 H new ATOM 0 HG12 VAL A 116 -3.502 2.484 1.791 1.00 0.00 H new ATOM 0 HG13 VAL A 116 -2.040 2.606 0.784 1.00 0.00 H new ATOM 0 HG21 VAL A 116 -1.828 -0.420 0.219 1.00 0.00 H new ATOM 0 HG22 VAL A 116 -0.443 0.592 0.694 1.00 0.00 H new ATOM 0 HG23 VAL A 116 -0.852 -0.858 1.641 1.00 0.00 H new ATOM 1715 N THR A 117 -2.370 3.322 4.204 1.00 0.00 N ATOM 1716 CA THR A 117 -3.260 4.042 5.106 1.00 0.00 C ATOM 1717 C THR A 117 -3.981 5.172 4.380 1.00 0.00 C ATOM 1718 O THR A 117 -3.424 6.254 4.188 1.00 0.00 O ATOM 1719 CB THR A 117 -2.493 4.625 6.307 1.00 0.00 C ATOM 1720 OG1 THR A 117 -1.758 3.589 6.968 1.00 0.00 O ATOM 1721 CG2 THR A 117 -3.448 5.283 7.291 1.00 0.00 C ATOM 0 H THR A 117 -1.760 3.920 3.647 1.00 0.00 H new ATOM 0 HA THR A 117 -3.992 3.321 5.469 1.00 0.00 H new ATOM 0 HB THR A 117 -1.801 5.381 5.936 1.00 0.00 H new ATOM 0 HG1 THR A 117 -1.271 3.968 7.730 1.00 0.00 H new ATOM 0 HG21 THR A 117 -2.883 5.687 8.131 1.00 0.00 H new ATOM 0 HG22 THR A 117 -3.985 6.090 6.793 1.00 0.00 H new ATOM 0 HG23 THR A 117 -4.161 4.544 7.656 1.00 0.00 H new ATOM 1729 N LEU A 118 -5.221 4.916 3.980 1.00 0.00 N ATOM 1730 CA LEU A 118 -6.019 5.914 3.275 1.00 0.00 C ATOM 1731 C LEU A 118 -6.371 7.079 4.195 1.00 0.00 C ATOM 1732 O LEU A 118 -7.114 6.917 5.163 1.00 0.00 O ATOM 1733 CB LEU A 118 -7.298 5.279 2.727 1.00 0.00 C ATOM 1734 CG LEU A 118 -7.850 5.888 1.438 1.00 0.00 C ATOM 1735 CD1 LEU A 118 -8.338 7.307 1.684 1.00 0.00 C ATOM 1736 CD2 LEU A 118 -6.794 5.867 0.343 1.00 0.00 C ATOM 0 H LEU A 118 -5.696 4.026 4.131 1.00 0.00 H new ATOM 0 HA LEU A 118 -5.426 6.297 2.445 1.00 0.00 H new ATOM 0 HB2 LEU A 118 -7.108 4.220 2.553 1.00 0.00 H new ATOM 0 HB3 LEU A 118 -8.069 5.343 3.495 1.00 0.00 H new ATOM 0 HG LEU A 118 -8.697 5.287 1.109 1.00 0.00 H new ATOM 0 HD11 LEU A 118 -8.727 7.724 0.755 1.00 0.00 H new ATOM 0 HD12 LEU A 118 -9.127 7.295 2.435 1.00 0.00 H new ATOM 0 HD13 LEU A 118 -7.509 7.920 2.038 1.00 0.00 H new ATOM 0 HD21 LEU A 118 -7.205 6.304 -0.567 1.00 0.00 H new ATOM 0 HD22 LEU A 118 -5.926 6.444 0.663 1.00 0.00 H new ATOM 0 HD23 LEU A 118 -6.493 4.838 0.147 1.00 0.00 H new ATOM 1748 N LYS A 119 -5.833 8.254 3.886 1.00 0.00 N ATOM 1749 CA LYS A 119 -6.092 9.448 4.682 1.00 0.00 C ATOM 1750 C LYS A 119 -7.245 10.254 4.094 1.00 0.00 C ATOM 1751 O LYS A 119 -8.294 10.406 4.721 1.00 0.00 O ATOM 1752 CB LYS A 119 -4.835 10.317 4.759 1.00 0.00 C ATOM 1753 CG LYS A 119 -3.587 9.548 5.158 1.00 0.00 C ATOM 1754 CD LYS A 119 -3.374 9.575 6.662 1.00 0.00 C ATOM 1755 CE LYS A 119 -4.449 8.785 7.392 1.00 0.00 C ATOM 1756 NZ LYS A 119 -5.603 9.644 7.778 1.00 0.00 N ATOM 0 H LYS A 119 -5.214 8.405 3.089 1.00 0.00 H new ATOM 0 HA LYS A 119 -6.369 9.131 5.687 1.00 0.00 H new ATOM 0 HB2 LYS A 119 -4.668 10.786 3.789 1.00 0.00 H new ATOM 0 HB3 LYS A 119 -5.002 11.120 5.477 1.00 0.00 H new ATOM 0 HG2 LYS A 119 -3.671 8.515 4.820 1.00 0.00 H new ATOM 0 HG3 LYS A 119 -2.718 9.977 4.659 1.00 0.00 H new ATOM 0 HD2 LYS A 119 -2.394 9.162 6.899 1.00 0.00 H new ATOM 0 HD3 LYS A 119 -3.378 10.607 7.013 1.00 0.00 H new ATOM 0 HE2 LYS A 119 -4.798 7.972 6.755 1.00 0.00 H new ATOM 0 HE3 LYS A 119 -4.021 8.329 8.285 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 -6.491 9.134 7.596 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 -5.539 9.878 8.789 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 -5.586 10.520 7.218 1.00 0.00 H new ATOM 1770 N THR A 120 -7.046 10.769 2.884 1.00 0.00 N ATOM 1771 CA THR A 120 -8.069 11.559 2.211 1.00 0.00 C ATOM 1772 C THR A 120 -7.952 11.434 0.696 1.00 0.00 C ATOM 1773 O THR A 120 -6.852 11.451 0.146 1.00 0.00 O ATOM 1774 CB THR A 120 -7.976 13.046 2.601 1.00 0.00 C ATOM 1775 OG1 THR A 120 -6.618 13.492 2.514 1.00 0.00 O ATOM 1776 CG2 THR A 120 -8.499 13.270 4.012 1.00 0.00 C ATOM 0 H THR A 120 -6.185 10.653 2.350 1.00 0.00 H new ATOM 0 HA THR A 120 -9.034 11.166 2.531 1.00 0.00 H new ATOM 0 HB THR A 120 -8.591 13.619 1.907 1.00 0.00 H new ATOM 0 HG1 THR A 120 -6.568 14.439 2.762 1.00 0.00 H new ATOM 0 HG21 THR A 120 -8.423 14.328 4.265 1.00 0.00 H new ATOM 0 HG22 THR A 120 -9.542 12.958 4.067 1.00 0.00 H new ATOM 0 HG23 THR A 120 -7.907 12.685 4.716 1.00 0.00 H new ATOM 1784 N ALA A 121 -9.094 11.309 0.028 1.00 0.00 N ATOM 1785 CA ALA A 121 -9.119 11.184 -1.424 1.00 0.00 C ATOM 1786 C ALA A 121 -9.900 12.329 -2.060 1.00 0.00 C ATOM 1787 O ALA A 121 -11.037 12.606 -1.678 1.00 0.00 O ATOM 1788 CB ALA A 121 -9.719 9.846 -1.828 1.00 0.00 C ATOM 0 H ALA A 121 -10.014 11.292 0.469 1.00 0.00 H new ATOM 0 HA ALA A 121 -8.092 11.234 -1.786 1.00 0.00 H new ATOM 0 HB1 ALA A 121 -9.731 9.766 -2.915 1.00 0.00 H new ATOM 0 HB2 ALA A 121 -9.118 9.037 -1.412 1.00 0.00 H new ATOM 0 HB3 ALA A 121 -10.738 9.774 -1.447 1.00 0.00 H new ATOM 1794 N VAL A 122 -9.282 12.993 -3.032 1.00 0.00 N ATOM 1795 CA VAL A 122 -9.919 14.109 -3.721 1.00 0.00 C ATOM 1796 C VAL A 122 -9.472 14.183 -5.177 1.00 0.00 C ATOM 1797 O VAL A 122 -8.646 13.388 -5.624 1.00 0.00 O ATOM 1798 CB VAL A 122 -9.605 15.449 -3.030 1.00 0.00 C ATOM 1799 CG1 VAL A 122 -10.142 15.454 -1.607 1.00 0.00 C ATOM 1800 CG2 VAL A 122 -8.108 15.718 -3.045 1.00 0.00 C ATOM 0 H VAL A 122 -8.341 12.777 -3.360 1.00 0.00 H new ATOM 0 HA VAL A 122 -10.994 13.933 -3.682 1.00 0.00 H new ATOM 0 HB VAL A 122 -10.100 16.248 -3.582 1.00 0.00 H new ATOM 0 HG11 VAL A 122 -9.911 16.409 -1.134 1.00 0.00 H new ATOM 0 HG12 VAL A 122 -11.222 15.310 -1.625 1.00 0.00 H new ATOM 0 HG13 VAL A 122 -9.678 14.647 -1.040 1.00 0.00 H new ATOM 0 HG21 VAL A 122 -7.904 16.669 -2.553 1.00 0.00 H new ATOM 0 HG22 VAL A 122 -7.589 14.918 -2.517 1.00 0.00 H new ATOM 0 HG23 VAL A 122 -7.756 15.761 -4.076 1.00 0.00 H new ATOM 1810 N ASP A 123 -10.023 15.144 -5.911 1.00 0.00 N ATOM 1811 CA ASP A 123 -9.679 15.324 -7.316 1.00 0.00 C ATOM 1812 C ASP A 123 -8.679 16.462 -7.490 1.00 0.00 C ATOM 1813 O ASP A 123 -7.918 16.491 -8.457 1.00 0.00 O ATOM 1814 CB ASP A 123 -10.938 15.604 -8.139 1.00 0.00 C ATOM 1815 CG ASP A 123 -10.815 15.118 -9.570 1.00 0.00 C ATOM 1816 OD1 ASP A 123 -9.887 15.570 -10.273 1.00 0.00 O ATOM 1817 OD2 ASP A 123 -11.646 14.285 -9.986 1.00 0.00 O ATOM 0 H ASP A 123 -10.709 15.810 -5.556 1.00 0.00 H new ATOM 0 HA ASP A 123 -9.218 14.403 -7.673 1.00 0.00 H new ATOM 0 HB2 ASP A 123 -11.793 15.120 -7.666 1.00 0.00 H new ATOM 0 HB3 ASP A 123 -11.138 16.675 -8.138 1.00 0.00 H new ATOM 1822 N ARG A 124 -8.687 17.399 -6.547 1.00 0.00 N ATOM 1823 CA ARG A 124 -7.782 18.541 -6.597 1.00 0.00 C ATOM 1824 C ARG A 124 -6.411 18.173 -6.040 1.00 0.00 C ATOM 1825 O ARG A 124 -6.287 17.404 -5.086 1.00 0.00 O ATOM 1826 CB ARG A 124 -8.366 19.716 -5.810 1.00 0.00 C ATOM 1827 CG ARG A 124 -9.574 20.354 -6.475 1.00 0.00 C ATOM 1828 CD ARG A 124 -10.867 19.673 -6.053 1.00 0.00 C ATOM 1829 NE ARG A 124 -11.304 20.102 -4.727 1.00 0.00 N ATOM 1830 CZ ARG A 124 -11.838 21.292 -4.479 1.00 0.00 C ATOM 1831 NH1 ARG A 124 -12.000 22.168 -5.461 1.00 0.00 N ATOM 1832 NH2 ARG A 124 -12.211 21.609 -3.245 1.00 0.00 N ATOM 0 H ARG A 124 -9.310 17.390 -5.739 1.00 0.00 H new ATOM 0 HA ARG A 124 -7.664 18.834 -7.640 1.00 0.00 H new ATOM 0 HB2 ARG A 124 -8.649 19.371 -4.816 1.00 0.00 H new ATOM 0 HB3 ARG A 124 -7.593 20.473 -5.677 1.00 0.00 H new ATOM 0 HG2 ARG A 124 -9.617 21.412 -6.215 1.00 0.00 H new ATOM 0 HG3 ARG A 124 -9.468 20.296 -7.558 1.00 0.00 H new ATOM 0 HD2 ARG A 124 -11.647 19.894 -6.781 1.00 0.00 H new ATOM 0 HD3 ARG A 124 -10.725 18.592 -6.056 1.00 0.00 H new ATOM 0 HE ARG A 124 -11.193 19.452 -3.949 1.00 0.00 H new ATOM 0 HH11 ARG A 124 -11.714 21.929 -6.410 1.00 0.00 H new ATOM 0 HH12 ARG A 124 -12.411 23.081 -5.267 1.00 0.00 H new ATOM 0 HH21 ARG A 124 -12.087 20.938 -2.487 1.00 0.00 H new ATOM 0 HH22 ARG A 124 -12.621 22.523 -3.055 1.00 0.00 H new