USER MOD reduce.3.24.130724 H: found=0, std=0, add=616, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 618 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 44 SER OG : rot 149:sc= 1.15 USER MOD Set 1.2: B 144 SER OG : rot -19:sc= 1.19 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 20 GLN : amide:sc= 0.604 K(o=0.6,f=0) USER MOD Single : A 22 MET CE :methyl -173:sc=-1.26e-05 (180deg=-0.0965) USER MOD Single : A 34 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 35 GLN : amide:sc= 0 X(o=0,f=-0.43) USER MOD Single : A 38 GLN : amide:sc= -0.304 X(o=-0.3,f=-0.032) USER MOD Single : A 39 GLN : amide:sc= 0 X(o=0,f=-0.44) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 THR OG1 : rot 71:sc= 0.452 USER MOD Single : A 49 LYS NZ :NH3+ -164:sc= 1.28 (180deg=1.06) USER MOD Single : A 52 LYS NZ :NH3+ 177:sc= 1.39 (180deg=1.35) USER MOD Single : A 55 ASN : amide:sc= 0 K(o=0,f=-0.89) USER MOD Single : B 115 SER OG : rot 180:sc= 0 USER MOD Single : B 120 GLN : amide:sc=-0.00487 X(o=-0.0049,f=0) USER MOD Single : B 122 MET CE :methyl -171:sc= -0.0417 (180deg=-0.105) USER MOD Single : B 133 SER OG : rot 25:sc= 0.0505 USER MOD Single : B 134 MET CE :methyl -172:sc= -0.032 (180deg=-0.207) USER MOD Single : B 135 GLN : amide:sc= 0 X(o=0,f=-0.37) USER MOD Single : B 138 GLN : amide:sc= -0.162 X(o=-0.16,f=-0.2) USER MOD Single : B 139 GLN : amide:sc= 0.732 K(o=0.73,f=0) USER MOD Single : B 143 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 146 THR OG1 : rot 75:sc= 0.766 USER MOD Single : B 149 LYS NZ :NH3+ 178:sc= 1.2 (180deg=1.16) USER MOD Single : B 152 LYS NZ :NH3+ -141:sc= 1.57 (180deg=1.36) USER MOD Single : B 155 ASN : amide:sc= -0.0304 K(o=-0.03,f=-1) USER MOD Single : B 156 GLN : amide:sc=-0.00718 K(o=-0.0072,f=-1.2) USER MOD ----------------------------------------------------------------- ATOM 114 N PRO A 10 -9.292 12.323 0.888 1.00 0.00 N ATOM 115 CA PRO A 10 -10.307 11.517 0.202 1.00 0.00 C ATOM 116 C PRO A 10 -9.723 10.397 -0.687 1.00 0.00 C ATOM 117 O PRO A 10 -8.548 10.411 -1.074 1.00 0.00 O ATOM 118 CB PRO A 10 -11.172 12.506 -0.586 1.00 0.00 C ATOM 119 CG PRO A 10 -10.251 13.704 -0.787 1.00 0.00 C ATOM 120 CD PRO A 10 -9.437 13.718 0.503 1.00 0.00 C ATOM 0 HA PRO A 10 -10.900 10.966 0.932 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -11.497 12.085 -1.538 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -12.072 12.780 -0.035 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -9.617 13.585 -1.665 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -10.812 14.629 -0.922 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -8.464 14.185 0.348 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -9.944 14.289 1.281 1.00 0.00 H new ATOM 128 N ILE A 11 -10.567 9.408 -0.992 1.00 0.00 N ATOM 129 CA ILE A 11 -10.176 8.126 -1.596 1.00 0.00 C ATOM 130 C ILE A 11 -9.519 8.272 -2.980 1.00 0.00 C ATOM 131 O ILE A 11 -8.598 7.526 -3.317 1.00 0.00 O ATOM 132 CB ILE A 11 -11.419 7.198 -1.650 1.00 0.00 C ATOM 133 CG1 ILE A 11 -11.076 5.734 -1.984 1.00 0.00 C ATOM 134 CG2 ILE A 11 -12.482 7.679 -2.659 1.00 0.00 C ATOM 135 CD1 ILE A 11 -10.285 5.041 -0.873 1.00 0.00 C ATOM 0 H ILE A 11 -11.570 9.476 -0.822 1.00 0.00 H new ATOM 0 HA ILE A 11 -9.405 7.682 -0.966 1.00 0.00 H new ATOM 0 HB ILE A 11 -11.823 7.247 -0.639 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -11.998 5.182 -2.165 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -10.499 5.703 -2.908 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -13.327 6.991 -2.653 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -12.823 8.676 -2.380 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -12.047 7.711 -3.658 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -10.072 4.013 -1.165 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -9.348 5.572 -0.708 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -10.870 5.044 0.046 1.00 0.00 H new ATOM 147 N ASP A 12 -9.954 9.250 -3.774 1.00 0.00 N ATOM 148 CA ASP A 12 -9.415 9.504 -5.114 1.00 0.00 C ATOM 149 C ASP A 12 -7.977 10.047 -5.083 1.00 0.00 C ATOM 150 O ASP A 12 -7.197 9.742 -5.984 1.00 0.00 O ATOM 151 CB ASP A 12 -10.341 10.429 -5.928 1.00 0.00 C ATOM 152 CG ASP A 12 -10.674 11.806 -5.319 1.00 0.00 C ATOM 153 OD1 ASP A 12 -11.182 12.676 -6.072 1.00 0.00 O ATOM 154 OD2 ASP A 12 -10.466 12.037 -4.107 1.00 0.00 O1- ATOM 0 H ASP A 12 -10.697 9.895 -3.505 1.00 0.00 H new ATOM 0 HA ASP A 12 -9.374 8.538 -5.617 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -9.882 10.593 -6.903 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -11.279 9.901 -6.101 1.00 0.00 H new ATOM 159 N GLU A 13 -7.583 10.787 -4.043 1.00 0.00 N ATOM 160 CA GLU A 13 -6.207 11.264 -3.866 1.00 0.00 C ATOM 161 C GLU A 13 -5.248 10.117 -3.529 1.00 0.00 C ATOM 162 O GLU A 13 -4.280 9.884 -4.255 1.00 0.00 O ATOM 163 CB GLU A 13 -6.138 12.370 -2.796 1.00 0.00 C ATOM 164 CG GLU A 13 -6.891 13.655 -3.171 1.00 0.00 C ATOM 165 CD GLU A 13 -6.343 14.379 -4.420 1.00 0.00 C ATOM 166 OE1 GLU A 13 -7.132 15.074 -5.106 1.00 0.00 O ATOM 167 OE2 GLU A 13 -5.124 14.293 -4.721 1.00 0.00 O1- ATOM 0 H GLU A 13 -8.214 11.074 -3.295 1.00 0.00 H new ATOM 0 HA GLU A 13 -5.887 11.690 -4.817 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -6.545 11.983 -1.862 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -5.092 12.616 -2.610 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -7.940 13.410 -3.340 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -6.856 14.341 -2.325 1.00 0.00 H new ATOM 174 N LEU A 14 -5.507 9.345 -2.464 1.00 0.00 N ATOM 175 CA LEU A 14 -4.625 8.241 -2.056 1.00 0.00 C ATOM 176 C LEU A 14 -4.573 7.098 -3.088 1.00 0.00 C ATOM 177 O LEU A 14 -3.517 6.497 -3.287 1.00 0.00 O ATOM 178 CB LEU A 14 -4.980 7.763 -0.637 1.00 0.00 C ATOM 179 CG LEU A 14 -6.369 7.125 -0.468 1.00 0.00 C ATOM 180 CD1 LEU A 14 -6.257 5.601 -0.417 1.00 0.00 C ATOM 181 CD2 LEU A 14 -7.036 7.587 0.824 1.00 0.00 C ATOM 0 H LEU A 14 -6.325 9.466 -1.866 1.00 0.00 H new ATOM 0 HA LEU A 14 -3.606 8.627 -2.024 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -4.229 7.039 -0.320 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -4.908 8.614 0.040 1.00 0.00 H new ATOM 0 HG LEU A 14 -6.968 7.435 -1.324 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -7.250 5.167 -0.297 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -5.812 5.238 -1.343 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -5.630 5.310 0.426 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -8.016 7.119 0.915 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -6.417 7.302 1.675 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -7.152 8.671 0.806 1.00 0.00 H new ATOM 193 N SER A 15 -5.678 6.848 -3.799 1.00 0.00 N ATOM 194 CA SER A 15 -5.714 5.923 -4.936 1.00 0.00 C ATOM 195 C SER A 15 -4.909 6.437 -6.139 1.00 0.00 C ATOM 196 O SER A 15 -4.174 5.674 -6.764 1.00 0.00 O ATOM 197 CB SER A 15 -7.170 5.646 -5.318 1.00 0.00 C ATOM 198 OG SER A 15 -7.240 4.722 -6.389 1.00 0.00 O ATOM 0 H SER A 15 -6.578 7.285 -3.600 1.00 0.00 H new ATOM 0 HA SER A 15 -5.236 4.992 -4.631 1.00 0.00 H new ATOM 0 HB2 SER A 15 -7.709 5.252 -4.456 1.00 0.00 H new ATOM 0 HB3 SER A 15 -7.660 6.577 -5.602 1.00 0.00 H new ATOM 0 HG SER A 15 -8.179 4.557 -6.618 1.00 0.00 H new ATOM 204 N ALA A 16 -4.979 7.732 -6.471 1.00 0.00 N ATOM 205 CA ALA A 16 -4.128 8.311 -7.513 1.00 0.00 C ATOM 206 C ALA A 16 -2.636 8.282 -7.136 1.00 0.00 C ATOM 207 O ALA A 16 -1.794 8.019 -7.998 1.00 0.00 O ATOM 208 CB ALA A 16 -4.598 9.736 -7.827 1.00 0.00 C ATOM 0 H ALA A 16 -5.616 8.397 -6.032 1.00 0.00 H new ATOM 0 HA ALA A 16 -4.225 7.697 -8.408 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -3.964 10.166 -8.602 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -5.630 9.710 -8.176 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -4.534 10.347 -6.927 1.00 0.00 H new ATOM 214 N LEU A 17 -2.303 8.499 -5.857 1.00 0.00 N ATOM 215 CA LEU A 17 -0.940 8.402 -5.337 1.00 0.00 C ATOM 216 C LEU A 17 -0.387 6.974 -5.463 1.00 0.00 C ATOM 217 O LEU A 17 0.683 6.807 -6.045 1.00 0.00 O ATOM 218 CB LEU A 17 -0.890 8.908 -3.881 1.00 0.00 C ATOM 219 CG LEU A 17 -0.386 10.354 -3.740 1.00 0.00 C ATOM 220 CD1 LEU A 17 -1.221 11.387 -4.496 1.00 0.00 C ATOM 221 CD2 LEU A 17 -0.358 10.750 -2.260 1.00 0.00 C ATOM 0 H LEU A 17 -2.988 8.751 -5.145 1.00 0.00 H new ATOM 0 HA LEU A 17 -0.296 9.040 -5.941 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -1.888 8.838 -3.448 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -0.243 8.250 -3.300 1.00 0.00 H new ATOM 0 HG LEU A 17 0.610 10.361 -4.182 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -0.797 12.380 -4.343 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -1.217 11.150 -5.560 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -2.246 11.369 -4.125 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -0.000 11.775 -2.164 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -1.363 10.676 -1.844 1.00 0.00 H new ATOM 0 HD23 LEU A 17 0.309 10.081 -1.717 1.00 0.00 H new ATOM 233 N LEU A 18 -1.095 5.940 -4.990 1.00 0.00 N ATOM 234 CA LEU A 18 -0.586 4.564 -5.074 1.00 0.00 C ATOM 235 C LEU A 18 -0.434 4.087 -6.528 1.00 0.00 C ATOM 236 O LEU A 18 0.538 3.404 -6.845 1.00 0.00 O ATOM 237 CB LEU A 18 -1.394 3.614 -4.164 1.00 0.00 C ATOM 238 CG LEU A 18 -2.749 3.108 -4.699 1.00 0.00 C ATOM 239 CD1 LEU A 18 -2.614 1.831 -5.532 1.00 0.00 C ATOM 240 CD2 LEU A 18 -3.663 2.766 -3.527 1.00 0.00 C ATOM 0 H LEU A 18 -2.011 6.027 -4.550 1.00 0.00 H new ATOM 0 HA LEU A 18 0.430 4.550 -4.680 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -0.772 2.746 -3.945 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -1.574 4.124 -3.218 1.00 0.00 H new ATOM 0 HG LEU A 18 -3.151 3.906 -5.323 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -3.598 1.520 -5.883 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -1.967 2.022 -6.388 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -2.181 1.041 -4.919 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -4.621 2.408 -3.905 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -3.200 1.989 -2.919 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -3.823 3.656 -2.918 1.00 0.00 H new ATOM 252 N ARG A 19 -1.345 4.475 -7.429 1.00 0.00 N ATOM 253 CA ARG A 19 -1.277 4.119 -8.859 1.00 0.00 C ATOM 254 C ARG A 19 -0.090 4.797 -9.558 1.00 0.00 C ATOM 255 O ARG A 19 0.666 4.103 -10.239 1.00 0.00 O ATOM 256 CB ARG A 19 -2.623 4.410 -9.551 1.00 0.00 C ATOM 257 CG ARG A 19 -3.706 3.396 -9.134 1.00 0.00 C ATOM 258 CD ARG A 19 -5.081 3.708 -9.732 1.00 0.00 C ATOM 259 NE ARG A 19 -5.636 4.955 -9.180 1.00 0.00 N ATOM 260 CZ ARG A 19 -6.774 5.544 -9.505 1.00 0.00 C ATOM 261 NH1 ARG A 19 -7.604 5.020 -10.356 1.00 0.00 N1+ ATOM 262 NH2 ARG A 19 -7.106 6.694 -8.988 1.00 0.00 N ATOM 0 H ARG A 19 -2.155 5.047 -7.190 1.00 0.00 H new ATOM 0 HA ARG A 19 -1.097 3.047 -8.939 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -2.952 5.418 -9.299 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -2.491 4.378 -10.633 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -3.399 2.397 -9.444 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -3.784 3.382 -8.047 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -4.997 3.793 -10.815 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -5.764 2.883 -9.529 1.00 0.00 H new ATOM 0 HE ARG A 19 -5.077 5.418 -8.463 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -7.386 4.126 -10.797 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -8.473 5.502 -10.583 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -6.484 7.152 -8.322 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -7.988 7.135 -9.249 1.00 0.00 H new ATOM 276 N GLN A 20 0.141 6.098 -9.352 1.00 0.00 N ATOM 277 CA GLN A 20 1.286 6.797 -9.971 1.00 0.00 C ATOM 278 C GLN A 20 2.643 6.437 -9.327 1.00 0.00 C ATOM 279 O GLN A 20 3.665 6.465 -10.014 1.00 0.00 O ATOM 280 CB GLN A 20 1.036 8.314 -10.029 1.00 0.00 C ATOM 281 CG GLN A 20 1.330 9.063 -8.724 1.00 0.00 C ATOM 282 CD GLN A 20 0.740 10.473 -8.721 1.00 0.00 C ATOM 283 OE1 GLN A 20 1.438 11.475 -8.810 1.00 0.00 O ATOM 284 NE2 GLN A 20 -0.567 10.599 -8.627 1.00 0.00 N ATOM 0 H GLN A 20 -0.444 6.692 -8.764 1.00 0.00 H new ATOM 0 HA GLN A 20 1.362 6.437 -10.997 1.00 0.00 H new ATOM 0 HB2 GLN A 20 1.651 8.739 -10.822 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -0.004 8.487 -10.304 1.00 0.00 H new ATOM 0 HG2 GLN A 20 0.924 8.499 -7.884 1.00 0.00 H new ATOM 0 HG3 GLN A 20 2.408 9.122 -8.576 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -1.155 9.769 -8.553 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -0.991 11.527 -8.629 1.00 0.00 H new ATOM 293 N GLU A 21 2.672 6.012 -8.058 1.00 0.00 N ATOM 294 CA GLU A 21 3.861 5.402 -7.420 1.00 0.00 C ATOM 295 C GLU A 21 4.259 4.047 -8.039 1.00 0.00 C ATOM 296 O GLU A 21 5.416 3.635 -7.927 1.00 0.00 O ATOM 297 CB GLU A 21 3.624 5.234 -5.902 1.00 0.00 C ATOM 298 CG GLU A 21 3.749 6.552 -5.109 1.00 0.00 C ATOM 299 CD GLU A 21 5.196 7.061 -4.946 1.00 0.00 C ATOM 300 OE1 GLU A 21 5.381 8.123 -4.307 1.00 0.00 O ATOM 301 OE2 GLU A 21 6.158 6.411 -5.436 1.00 0.00 O1- ATOM 0 H GLU A 21 1.868 6.079 -7.434 1.00 0.00 H new ATOM 0 HA GLU A 21 4.691 6.086 -7.598 1.00 0.00 H new ATOM 0 HB2 GLU A 21 2.630 4.816 -5.742 1.00 0.00 H new ATOM 0 HB3 GLU A 21 4.340 4.513 -5.508 1.00 0.00 H new ATOM 0 HG2 GLU A 21 3.160 7.321 -5.610 1.00 0.00 H new ATOM 0 HG3 GLU A 21 3.313 6.410 -4.120 1.00 0.00 H new ATOM 308 N MET A 22 3.328 3.380 -8.735 1.00 0.00 N ATOM 309 CA MET A 22 3.558 2.201 -9.587 1.00 0.00 C ATOM 310 C MET A 22 3.623 2.533 -11.098 1.00 0.00 C ATOM 311 O MET A 22 3.658 1.628 -11.933 1.00 0.00 O ATOM 312 CB MET A 22 2.487 1.147 -9.265 1.00 0.00 C ATOM 313 CG MET A 22 2.765 0.498 -7.905 1.00 0.00 C ATOM 314 SD MET A 22 1.572 -0.768 -7.409 1.00 0.00 S ATOM 315 CE MET A 22 0.343 0.285 -6.590 1.00 0.00 C ATOM 0 H MET A 22 2.347 3.660 -8.720 1.00 0.00 H new ATOM 0 HA MET A 22 4.546 1.800 -9.358 1.00 0.00 H new ATOM 0 HB2 MET A 22 1.501 1.612 -9.258 1.00 0.00 H new ATOM 0 HB3 MET A 22 2.474 0.384 -10.043 1.00 0.00 H new ATOM 0 HG2 MET A 22 3.759 0.051 -7.928 1.00 0.00 H new ATOM 0 HG3 MET A 22 2.784 1.278 -7.143 1.00 0.00 H new ATOM 0 HE1 MET A 22 -0.410 -0.340 -6.110 1.00 0.00 H new ATOM 0 HE2 MET A 22 0.835 0.902 -5.838 1.00 0.00 H new ATOM 0 HE3 MET A 22 -0.136 0.927 -7.329 1.00 0.00 H new ATOM 325 N GLY A 23 3.645 3.822 -11.467 1.00 0.00 N ATOM 326 CA GLY A 23 3.721 4.315 -12.850 1.00 0.00 C ATOM 327 C GLY A 23 2.407 4.267 -13.646 1.00 0.00 C ATOM 328 O GLY A 23 2.383 4.677 -14.811 1.00 0.00 O ATOM 0 H GLY A 23 3.609 4.579 -10.784 1.00 0.00 H new ATOM 0 HA2 GLY A 23 4.075 5.346 -12.830 1.00 0.00 H new ATOM 0 HA3 GLY A 23 4.470 3.731 -13.384 1.00 0.00 H new ATOM 420 N MET A 34 -16.775 -5.092 -3.123 1.00 0.00 N ATOM 421 CA MET A 34 -15.754 -5.901 -2.432 1.00 0.00 C ATOM 422 C MET A 34 -14.627 -6.407 -3.349 1.00 0.00 C ATOM 423 O MET A 34 -13.470 -6.423 -2.936 1.00 0.00 O ATOM 424 CB MET A 34 -16.402 -7.054 -1.648 1.00 0.00 C ATOM 425 CG MET A 34 -16.642 -6.638 -0.192 1.00 0.00 C ATOM 426 SD MET A 34 -15.096 -6.465 0.761 1.00 0.00 S ATOM 427 CE MET A 34 -15.679 -5.518 2.187 1.00 0.00 C ATOM 0 HA MET A 34 -15.269 -5.227 -1.726 1.00 0.00 H new ATOM 0 HB2 MET A 34 -17.347 -7.334 -2.114 1.00 0.00 H new ATOM 0 HB3 MET A 34 -15.758 -7.933 -1.681 1.00 0.00 H new ATOM 0 HG2 MET A 34 -17.182 -5.691 -0.174 1.00 0.00 H new ATOM 0 HG3 MET A 34 -17.280 -7.378 0.291 1.00 0.00 H new ATOM 0 HE1 MET A 34 -14.846 -5.331 2.865 1.00 0.00 H new ATOM 0 HE2 MET A 34 -16.091 -4.567 1.849 1.00 0.00 H new ATOM 0 HE3 MET A 34 -16.451 -6.084 2.708 1.00 0.00 H new ATOM 437 N GLN A 35 -14.913 -6.754 -4.608 1.00 0.00 N ATOM 438 CA GLN A 35 -13.866 -7.096 -5.591 1.00 0.00 C ATOM 439 C GLN A 35 -12.957 -5.896 -5.933 1.00 0.00 C ATOM 440 O GLN A 35 -11.751 -6.058 -6.132 1.00 0.00 O ATOM 441 CB GLN A 35 -14.552 -7.666 -6.842 1.00 0.00 C ATOM 442 CG GLN A 35 -13.555 -8.046 -7.951 1.00 0.00 C ATOM 443 CD GLN A 35 -14.205 -8.724 -9.160 1.00 0.00 C ATOM 444 OE1 GLN A 35 -15.393 -9.031 -9.206 1.00 0.00 O ATOM 445 NE2 GLN A 35 -13.439 -9.003 -10.198 1.00 0.00 N ATOM 0 H GLN A 35 -15.863 -6.807 -4.976 1.00 0.00 H new ATOM 0 HA GLN A 35 -13.202 -7.844 -5.158 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -15.131 -8.547 -6.563 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -15.257 -6.931 -7.230 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -13.037 -7.147 -8.285 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -12.800 -8.713 -7.535 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -12.449 -8.757 -10.182 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -13.837 -9.464 -11.016 1.00 0.00 H new ATOM 454 N ASP A 36 -13.518 -4.684 -5.968 1.00 0.00 N ATOM 455 CA ASP A 36 -12.818 -3.449 -6.347 1.00 0.00 C ATOM 456 C ASP A 36 -11.837 -2.977 -5.259 1.00 0.00 C ATOM 457 O ASP A 36 -10.709 -2.600 -5.572 1.00 0.00 O ATOM 458 CB ASP A 36 -13.832 -2.335 -6.665 1.00 0.00 C ATOM 459 CG ASP A 36 -14.907 -2.701 -7.702 1.00 0.00 C ATOM 460 OD1 ASP A 36 -16.042 -2.173 -7.598 1.00 0.00 O ATOM 461 OD2 ASP A 36 -14.633 -3.490 -8.638 1.00 0.00 O1- ATOM 0 H ASP A 36 -14.497 -4.528 -5.728 1.00 0.00 H new ATOM 0 HA ASP A 36 -12.233 -3.672 -7.239 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -14.328 -2.043 -5.739 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -13.287 -1.462 -7.024 1.00 0.00 H new ATOM 466 N ILE A 37 -12.238 -3.048 -3.980 1.00 0.00 N ATOM 467 CA ILE A 37 -11.328 -2.839 -2.846 1.00 0.00 C ATOM 468 C ILE A 37 -10.279 -3.958 -2.744 1.00 0.00 C ATOM 469 O ILE A 37 -9.108 -3.649 -2.518 1.00 0.00 O ATOM 470 CB ILE A 37 -12.100 -2.606 -1.525 1.00 0.00 C ATOM 471 CG1 ILE A 37 -11.131 -2.401 -0.334 1.00 0.00 C ATOM 472 CG2 ILE A 37 -13.112 -3.718 -1.226 1.00 0.00 C ATOM 473 CD1 ILE A 37 -11.828 -2.028 0.984 1.00 0.00 C ATOM 0 H ILE A 37 -13.199 -3.251 -3.705 1.00 0.00 H new ATOM 0 HA ILE A 37 -10.772 -1.921 -3.035 1.00 0.00 H new ATOM 0 HB ILE A 37 -12.673 -1.689 -1.661 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -10.558 -3.316 -0.184 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -10.418 -1.617 -0.590 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -13.624 -3.502 -0.288 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -13.842 -3.772 -2.033 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -12.591 -4.672 -1.143 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -11.081 -1.902 1.768 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -12.378 -1.096 0.854 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -12.520 -2.821 1.267 1.00 0.00 H new ATOM 485 N GLN A 38 -10.642 -5.235 -2.951 1.00 0.00 N ATOM 486 CA GLN A 38 -9.685 -6.348 -2.886 1.00 0.00 C ATOM 487 C GLN A 38 -8.529 -6.189 -3.885 1.00 0.00 C ATOM 488 O GLN A 38 -7.364 -6.227 -3.486 1.00 0.00 O ATOM 489 CB GLN A 38 -10.386 -7.702 -3.117 1.00 0.00 C ATOM 490 CG GLN A 38 -11.083 -8.263 -1.862 1.00 0.00 C ATOM 491 CD GLN A 38 -11.854 -9.565 -2.104 1.00 0.00 C ATOM 492 OE1 GLN A 38 -12.754 -9.921 -1.354 1.00 0.00 O ATOM 493 NE2 GLN A 38 -11.545 -10.343 -3.127 1.00 0.00 N ATOM 0 H GLN A 38 -11.597 -5.521 -3.166 1.00 0.00 H new ATOM 0 HA GLN A 38 -9.264 -6.328 -1.881 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -11.124 -7.588 -3.911 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -9.651 -8.426 -3.467 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -10.333 -8.435 -1.090 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -11.772 -7.512 -1.476 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -10.799 -10.071 -3.768 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -12.052 -11.215 -3.276 1.00 0.00 H new ATOM 502 N GLN A 39 -8.829 -5.983 -5.175 1.00 0.00 N ATOM 503 CA GLN A 39 -7.796 -5.867 -6.212 1.00 0.00 C ATOM 504 C GLN A 39 -6.903 -4.628 -6.023 1.00 0.00 C ATOM 505 O GLN A 39 -5.697 -4.699 -6.258 1.00 0.00 O ATOM 506 CB GLN A 39 -8.449 -5.917 -7.609 1.00 0.00 C ATOM 507 CG GLN A 39 -9.258 -4.660 -7.982 1.00 0.00 C ATOM 508 CD GLN A 39 -10.121 -4.808 -9.235 1.00 0.00 C ATOM 509 OE1 GLN A 39 -10.290 -5.868 -9.826 1.00 0.00 O ATOM 510 NE2 GLN A 39 -10.720 -3.723 -9.691 1.00 0.00 N ATOM 0 H GLN A 39 -9.783 -5.893 -5.525 1.00 0.00 H new ATOM 0 HA GLN A 39 -7.124 -6.720 -6.118 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -7.669 -6.066 -8.356 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -9.107 -6.785 -7.658 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -9.901 -4.396 -7.143 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -8.567 -3.829 -8.128 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -10.592 -2.831 -9.213 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -11.311 -3.777 -10.521 1.00 0.00 H new ATOM 519 N LEU A 40 -7.466 -3.508 -5.553 1.00 0.00 N ATOM 520 CA LEU A 40 -6.743 -2.252 -5.324 1.00 0.00 C ATOM 521 C LEU A 40 -5.837 -2.318 -4.081 1.00 0.00 C ATOM 522 O LEU A 40 -4.696 -1.859 -4.120 1.00 0.00 O ATOM 523 CB LEU A 40 -7.784 -1.124 -5.243 1.00 0.00 C ATOM 524 CG LEU A 40 -7.214 0.296 -5.085 1.00 0.00 C ATOM 525 CD1 LEU A 40 -6.319 0.705 -6.258 1.00 0.00 C ATOM 526 CD2 LEU A 40 -8.377 1.287 -5.017 1.00 0.00 C ATOM 0 H LEU A 40 -8.457 -3.449 -5.317 1.00 0.00 H new ATOM 0 HA LEU A 40 -6.060 -2.058 -6.151 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -8.395 -1.153 -6.145 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -8.447 -1.326 -4.402 1.00 0.00 H new ATOM 0 HG LEU A 40 -6.612 0.305 -4.176 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -5.944 1.715 -6.095 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -5.479 0.014 -6.333 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -6.896 0.677 -7.183 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -7.987 2.299 -4.905 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -8.963 1.224 -5.934 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -9.011 1.046 -4.164 1.00 0.00 H new ATOM 538 N LEU A 41 -6.307 -2.946 -2.998 1.00 0.00 N ATOM 539 CA LEU A 41 -5.540 -3.147 -1.759 1.00 0.00 C ATOM 540 C LEU A 41 -4.461 -4.246 -1.888 1.00 0.00 C ATOM 541 O LEU A 41 -3.419 -4.177 -1.235 1.00 0.00 O ATOM 542 CB LEU A 41 -6.556 -3.407 -0.629 1.00 0.00 C ATOM 543 CG LEU A 41 -5.978 -3.401 0.796 1.00 0.00 C ATOM 544 CD1 LEU A 41 -5.350 -2.057 1.162 1.00 0.00 C ATOM 545 CD2 LEU A 41 -7.112 -3.661 1.794 1.00 0.00 C ATOM 0 H LEU A 41 -7.248 -3.337 -2.955 1.00 0.00 H new ATOM 0 HA LEU A 41 -4.960 -2.254 -1.527 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -7.339 -2.651 -0.688 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -7.030 -4.372 -0.806 1.00 0.00 H new ATOM 0 HG LEU A 41 -5.209 -4.172 0.835 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -4.956 -2.104 2.177 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -4.539 -1.833 0.469 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -6.106 -1.274 1.102 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -6.712 -3.659 2.808 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -7.866 -2.880 1.700 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -7.565 -4.630 1.585 1.00 0.00 H new ATOM 557 N ALA A 42 -4.660 -5.224 -2.781 1.00 0.00 N ATOM 558 CA ALA A 42 -3.625 -6.177 -3.190 1.00 0.00 C ATOM 559 C ALA A 42 -2.503 -5.521 -4.026 1.00 0.00 C ATOM 560 O ALA A 42 -1.337 -5.919 -3.930 1.00 0.00 O ATOM 561 CB ALA A 42 -4.285 -7.324 -3.971 1.00 0.00 C ATOM 0 H ALA A 42 -5.556 -5.376 -3.244 1.00 0.00 H new ATOM 0 HA ALA A 42 -3.146 -6.561 -2.290 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -3.523 -8.039 -4.280 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -5.015 -7.824 -3.335 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -4.785 -6.923 -4.852 1.00 0.00 H new ATOM 567 N LYS A 43 -2.832 -4.506 -4.835 1.00 0.00 N ATOM 568 CA LYS A 43 -1.892 -3.790 -5.712 1.00 0.00 C ATOM 569 C LYS A 43 -0.787 -3.089 -4.915 1.00 0.00 C ATOM 570 O LYS A 43 0.398 -3.297 -5.174 1.00 0.00 O ATOM 571 CB LYS A 43 -2.698 -2.798 -6.576 1.00 0.00 C ATOM 572 CG LYS A 43 -1.927 -2.372 -7.825 1.00 0.00 C ATOM 573 CD LYS A 43 -2.618 -1.177 -8.502 1.00 0.00 C ATOM 574 CE LYS A 43 -1.771 -0.586 -9.635 1.00 0.00 C ATOM 575 NZ LYS A 43 -1.653 -1.504 -10.797 1.00 0.00 N1+ ATOM 0 H LYS A 43 -3.785 -4.149 -4.901 1.00 0.00 H new ATOM 0 HA LYS A 43 -1.381 -4.503 -6.358 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -3.642 -3.257 -6.871 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -2.944 -1.917 -5.983 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -0.905 -2.104 -7.555 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -1.864 -3.207 -8.523 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -3.583 -1.494 -8.899 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -2.817 -0.405 -7.758 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -2.214 0.354 -9.963 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -0.775 -0.354 -9.257 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -1.071 -1.058 -11.534 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -1.205 -2.392 -10.494 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -2.600 -1.706 -11.178 1.00 0.00 H new ATOM 589 N SER A 44 -1.159 -2.304 -3.903 1.00 0.00 N ATOM 590 CA SER A 44 -0.221 -1.638 -2.993 1.00 0.00 C ATOM 591 C SER A 44 0.571 -2.622 -2.120 1.00 0.00 C ATOM 592 O SER A 44 1.772 -2.437 -1.930 1.00 0.00 O ATOM 593 CB SER A 44 -0.980 -0.640 -2.110 1.00 0.00 C ATOM 594 OG SER A 44 -2.031 -1.292 -1.431 1.00 0.00 O ATOM 0 H SER A 44 -2.137 -2.109 -3.688 1.00 0.00 H new ATOM 0 HA SER A 44 0.508 -1.114 -3.611 1.00 0.00 H new ATOM 0 HB2 SER A 44 -0.298 -0.188 -1.390 1.00 0.00 H new ATOM 0 HB3 SER A 44 -1.379 0.168 -2.722 1.00 0.00 H new ATOM 0 HG SER A 44 -2.183 -0.855 -0.567 1.00 0.00 H new ATOM 600 N LEU A 45 -0.044 -3.719 -1.663 1.00 0.00 N ATOM 601 CA LEU A 45 0.642 -4.804 -0.942 1.00 0.00 C ATOM 602 C LEU A 45 1.760 -5.439 -1.795 1.00 0.00 C ATOM 603 O LEU A 45 2.866 -5.669 -1.299 1.00 0.00 O ATOM 604 CB LEU A 45 -0.440 -5.788 -0.443 1.00 0.00 C ATOM 605 CG LEU A 45 0.000 -7.056 0.320 1.00 0.00 C ATOM 606 CD1 LEU A 45 0.379 -8.222 -0.597 1.00 0.00 C ATOM 607 CD2 LEU A 45 1.134 -6.817 1.315 1.00 0.00 C ATOM 0 H LEU A 45 -1.044 -3.883 -1.784 1.00 0.00 H new ATOM 0 HA LEU A 45 1.177 -4.427 -0.070 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -1.118 -5.232 0.205 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -1.019 -6.109 -1.309 1.00 0.00 H new ATOM 0 HG LEU A 45 -0.894 -7.330 0.880 1.00 0.00 H new ATOM 0 HD11 LEU A 45 0.678 -9.078 0.008 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -0.478 -8.494 -1.213 1.00 0.00 H new ATOM 0 HD13 LEU A 45 1.208 -7.925 -1.240 1.00 0.00 H new ATOM 0 HD21 LEU A 45 1.386 -7.754 1.811 1.00 0.00 H new ATOM 0 HD22 LEU A 45 2.009 -6.439 0.786 1.00 0.00 H new ATOM 0 HD23 LEU A 45 0.817 -6.087 2.059 1.00 0.00 H new ATOM 619 N THR A 46 1.524 -5.639 -3.095 1.00 0.00 N ATOM 620 CA THR A 46 2.551 -6.135 -4.025 1.00 0.00 C ATOM 621 C THR A 46 3.739 -5.170 -4.131 1.00 0.00 C ATOM 622 O THR A 46 4.891 -5.604 -4.142 1.00 0.00 O ATOM 623 CB THR A 46 1.946 -6.424 -5.409 1.00 0.00 C ATOM 624 OG1 THR A 46 0.909 -7.377 -5.294 1.00 0.00 O ATOM 625 CG2 THR A 46 2.965 -7.005 -6.392 1.00 0.00 C ATOM 0 H THR A 46 0.620 -5.463 -3.534 1.00 0.00 H new ATOM 0 HA THR A 46 2.933 -7.072 -3.619 1.00 0.00 H new ATOM 0 HB THR A 46 1.586 -5.466 -5.784 1.00 0.00 H new ATOM 0 HG1 THR A 46 0.136 -6.968 -4.852 1.00 0.00 H new ATOM 0 HG21 THR A 46 2.481 -7.189 -7.351 1.00 0.00 H new ATOM 0 HG22 THR A 46 3.784 -6.298 -6.528 1.00 0.00 H new ATOM 0 HG23 THR A 46 3.357 -7.943 -5.998 1.00 0.00 H new ATOM 633 N GLU A 47 3.504 -3.856 -4.144 1.00 0.00 N ATOM 634 CA GLU A 47 4.569 -2.839 -4.193 1.00 0.00 C ATOM 635 C GLU A 47 5.414 -2.781 -2.903 1.00 0.00 C ATOM 636 O GLU A 47 6.637 -2.624 -2.981 1.00 0.00 O ATOM 637 CB GLU A 47 3.948 -1.480 -4.543 1.00 0.00 C ATOM 638 CG GLU A 47 4.958 -0.349 -4.822 1.00 0.00 C ATOM 639 CD GLU A 47 5.843 -0.558 -6.075 1.00 0.00 C ATOM 640 OE1 GLU A 47 5.571 -1.478 -6.888 1.00 0.00 O ATOM 641 OE2 GLU A 47 6.795 0.231 -6.268 1.00 0.00 O1- ATOM 0 H GLU A 47 2.564 -3.460 -4.121 1.00 0.00 H new ATOM 0 HA GLU A 47 5.275 -3.123 -4.974 1.00 0.00 H new ATOM 0 HB2 GLU A 47 3.314 -1.604 -5.421 1.00 0.00 H new ATOM 0 HB3 GLU A 47 3.300 -1.172 -3.722 1.00 0.00 H new ATOM 0 HG2 GLU A 47 4.411 0.587 -4.934 1.00 0.00 H new ATOM 0 HG3 GLU A 47 5.606 -0.238 -3.952 1.00 0.00 H new ATOM 648 N ILE A 48 4.800 -2.986 -1.729 1.00 0.00 N ATOM 649 CA ILE A 48 5.523 -3.138 -0.452 1.00 0.00 C ATOM 650 C ILE A 48 6.497 -4.327 -0.522 1.00 0.00 C ATOM 651 O ILE A 48 7.665 -4.193 -0.149 1.00 0.00 O ATOM 652 CB ILE A 48 4.533 -3.284 0.731 1.00 0.00 C ATOM 653 CG1 ILE A 48 3.711 -1.994 0.932 1.00 0.00 C ATOM 654 CG2 ILE A 48 5.261 -3.644 2.044 1.00 0.00 C ATOM 655 CD1 ILE A 48 2.489 -2.185 1.835 1.00 0.00 C ATOM 0 H ILE A 48 3.786 -3.052 -1.635 1.00 0.00 H new ATOM 0 HA ILE A 48 6.109 -2.236 -0.278 1.00 0.00 H new ATOM 0 HB ILE A 48 3.857 -4.100 0.477 1.00 0.00 H new ATOM 0 HG12 ILE A 48 4.354 -1.226 1.361 1.00 0.00 H new ATOM 0 HG13 ILE A 48 3.381 -1.627 -0.040 1.00 0.00 H new ATOM 0 HG21 ILE A 48 4.533 -3.738 2.850 1.00 0.00 H new ATOM 0 HG22 ILE A 48 5.789 -4.590 1.920 1.00 0.00 H new ATOM 0 HG23 ILE A 48 5.976 -2.859 2.291 1.00 0.00 H new ATOM 0 HD11 ILE A 48 1.957 -1.238 1.933 1.00 0.00 H new ATOM 0 HD12 ILE A 48 1.825 -2.930 1.396 1.00 0.00 H new ATOM 0 HD13 ILE A 48 2.813 -2.522 2.819 1.00 0.00 H new ATOM 667 N LYS A 49 6.043 -5.478 -1.050 1.00 0.00 N ATOM 668 CA LYS A 49 6.863 -6.689 -1.203 1.00 0.00 C ATOM 669 C LYS A 49 8.023 -6.505 -2.194 1.00 0.00 C ATOM 670 O LYS A 49 9.140 -6.925 -1.890 1.00 0.00 O ATOM 671 CB LYS A 49 5.965 -7.879 -1.589 1.00 0.00 C ATOM 672 CG LYS A 49 5.114 -8.345 -0.400 1.00 0.00 C ATOM 673 CD LYS A 49 4.157 -9.471 -0.814 1.00 0.00 C ATOM 674 CE LYS A 49 3.323 -9.994 0.364 1.00 0.00 C ATOM 675 NZ LYS A 49 4.133 -10.779 1.329 1.00 0.00 N1+ ATOM 0 H LYS A 49 5.087 -5.593 -1.385 1.00 0.00 H new ATOM 0 HA LYS A 49 7.332 -6.896 -0.241 1.00 0.00 H new ATOM 0 HB2 LYS A 49 5.314 -7.593 -2.415 1.00 0.00 H new ATOM 0 HB3 LYS A 49 6.583 -8.704 -1.942 1.00 0.00 H new ATOM 0 HG2 LYS A 49 5.764 -8.693 0.403 1.00 0.00 H new ATOM 0 HG3 LYS A 49 4.543 -7.504 -0.006 1.00 0.00 H new ATOM 0 HD2 LYS A 49 3.489 -9.108 -1.595 1.00 0.00 H new ATOM 0 HD3 LYS A 49 4.731 -10.293 -1.242 1.00 0.00 H new ATOM 0 HE2 LYS A 49 2.863 -9.152 0.881 1.00 0.00 H new ATOM 0 HE3 LYS A 49 2.513 -10.616 -0.016 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 3.502 -11.330 1.945 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 4.761 -11.426 0.810 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 4.705 -10.132 1.909 1.00 0.00 H new ATOM 689 N ARG A 50 7.802 -5.820 -3.328 1.00 0.00 N ATOM 690 CA ARG A 50 8.869 -5.437 -4.281 1.00 0.00 C ATOM 691 C ARG A 50 9.960 -4.594 -3.614 1.00 0.00 C ATOM 692 O ARG A 50 11.144 -4.911 -3.747 1.00 0.00 O ATOM 693 CB ARG A 50 8.281 -4.651 -5.464 1.00 0.00 C ATOM 694 CG ARG A 50 7.427 -5.478 -6.437 1.00 0.00 C ATOM 695 CD ARG A 50 6.749 -4.508 -7.412 1.00 0.00 C ATOM 696 NE ARG A 50 5.779 -5.158 -8.309 1.00 0.00 N ATOM 697 CZ ARG A 50 4.686 -4.604 -8.807 1.00 0.00 C ATOM 698 NH1 ARG A 50 4.309 -3.392 -8.511 1.00 0.00 N1+ ATOM 699 NH2 ARG A 50 3.923 -5.278 -9.618 1.00 0.00 N ATOM 0 H ARG A 50 6.873 -5.512 -3.616 1.00 0.00 H new ATOM 0 HA ARG A 50 9.320 -6.363 -4.638 1.00 0.00 H new ATOM 0 HB2 ARG A 50 7.671 -3.837 -5.072 1.00 0.00 H new ATOM 0 HB3 ARG A 50 9.100 -4.196 -6.021 1.00 0.00 H new ATOM 0 HG2 ARG A 50 8.049 -6.191 -6.979 1.00 0.00 H new ATOM 0 HG3 ARG A 50 6.680 -6.056 -5.893 1.00 0.00 H new ATOM 0 HD2 ARG A 50 6.241 -3.730 -6.843 1.00 0.00 H new ATOM 0 HD3 ARG A 50 7.514 -4.016 -8.013 1.00 0.00 H new ATOM 0 HE ARG A 50 5.967 -6.126 -8.571 1.00 0.00 H new ATOM 0 HH11 ARG A 50 4.866 -2.827 -7.869 1.00 0.00 H new ATOM 0 HH12 ARG A 50 3.457 -3.008 -8.921 1.00 0.00 H new ATOM 0 HH21 ARG A 50 4.167 -6.235 -9.871 1.00 0.00 H new ATOM 0 HH22 ARG A 50 3.081 -4.849 -10.001 1.00 0.00 H new ATOM 713 N LEU A 51 9.572 -3.570 -2.852 1.00 0.00 N ATOM 714 CA LEU A 51 10.500 -2.700 -2.127 1.00 0.00 C ATOM 715 C LEU A 51 11.324 -3.470 -1.089 1.00 0.00 C ATOM 716 O LEU A 51 12.544 -3.310 -1.038 1.00 0.00 O ATOM 717 CB LEU A 51 9.724 -1.547 -1.451 1.00 0.00 C ATOM 718 CG LEU A 51 9.858 -0.166 -2.113 1.00 0.00 C ATOM 719 CD1 LEU A 51 11.300 0.346 -2.066 1.00 0.00 C ATOM 720 CD2 LEU A 51 9.358 -0.165 -3.558 1.00 0.00 C ATOM 0 H LEU A 51 8.592 -3.318 -2.719 1.00 0.00 H new ATOM 0 HA LEU A 51 11.201 -2.289 -2.853 1.00 0.00 H new ATOM 0 HB2 LEU A 51 8.667 -1.814 -1.423 1.00 0.00 H new ATOM 0 HB3 LEU A 51 10.060 -1.467 -0.417 1.00 0.00 H new ATOM 0 HG LEU A 51 9.226 0.508 -1.534 1.00 0.00 H new ATOM 0 HD11 LEU A 51 11.354 1.324 -2.544 1.00 0.00 H new ATOM 0 HD12 LEU A 51 11.623 0.430 -1.028 1.00 0.00 H new ATOM 0 HD13 LEU A 51 11.951 -0.352 -2.593 1.00 0.00 H new ATOM 0 HD21 LEU A 51 9.473 0.832 -3.982 1.00 0.00 H new ATOM 0 HD22 LEU A 51 9.938 -0.878 -4.144 1.00 0.00 H new ATOM 0 HD23 LEU A 51 8.306 -0.449 -3.579 1.00 0.00 H new ATOM 732 N LYS A 52 10.678 -4.315 -0.279 1.00 0.00 N ATOM 733 CA LYS A 52 11.346 -5.108 0.766 1.00 0.00 C ATOM 734 C LYS A 52 12.280 -6.176 0.189 1.00 0.00 C ATOM 735 O LYS A 52 13.360 -6.382 0.744 1.00 0.00 O ATOM 736 CB LYS A 52 10.293 -5.699 1.721 1.00 0.00 C ATOM 737 CG LYS A 52 9.769 -4.572 2.621 1.00 0.00 C ATOM 738 CD LYS A 52 8.628 -5.003 3.540 1.00 0.00 C ATOM 739 CE LYS A 52 8.203 -3.779 4.352 1.00 0.00 C ATOM 740 NZ LYS A 52 7.002 -4.031 5.181 1.00 0.00 N1+ ATOM 0 H LYS A 52 9.671 -4.471 -0.328 1.00 0.00 H new ATOM 0 HA LYS A 52 11.993 -4.443 1.338 1.00 0.00 H new ATOM 0 HB2 LYS A 52 9.475 -6.144 1.155 1.00 0.00 H new ATOM 0 HB3 LYS A 52 10.732 -6.493 2.325 1.00 0.00 H new ATOM 0 HG2 LYS A 52 10.590 -4.192 3.229 1.00 0.00 H new ATOM 0 HG3 LYS A 52 9.428 -3.747 1.995 1.00 0.00 H new ATOM 0 HD2 LYS A 52 7.790 -5.386 2.957 1.00 0.00 H new ATOM 0 HD3 LYS A 52 8.951 -5.808 4.200 1.00 0.00 H new ATOM 0 HE2 LYS A 52 9.027 -3.472 4.997 1.00 0.00 H new ATOM 0 HE3 LYS A 52 8.003 -2.950 3.674 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 6.788 -3.186 5.748 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 6.193 -4.248 4.564 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 7.180 -4.837 5.814 1.00 0.00 H new ATOM 754 N ALA A 53 11.947 -6.780 -0.954 1.00 0.00 N ATOM 755 CA ALA A 53 12.844 -7.682 -1.676 1.00 0.00 C ATOM 756 C ALA A 53 14.111 -6.960 -2.176 1.00 0.00 C ATOM 757 O ALA A 53 15.221 -7.463 -1.978 1.00 0.00 O ATOM 758 CB ALA A 53 12.067 -8.344 -2.821 1.00 0.00 C ATOM 0 H ALA A 53 11.041 -6.655 -1.407 1.00 0.00 H new ATOM 0 HA ALA A 53 13.196 -8.455 -0.993 1.00 0.00 H new ATOM 0 HB1 ALA A 53 12.727 -9.019 -3.366 1.00 0.00 H new ATOM 0 HB2 ALA A 53 11.228 -8.908 -2.413 1.00 0.00 H new ATOM 0 HB3 ALA A 53 11.693 -7.576 -3.499 1.00 0.00 H new ATOM 764 N ALA A 54 13.967 -5.765 -2.763 1.00 0.00 N ATOM 765 CA ALA A 54 15.087 -4.940 -3.231 1.00 0.00 C ATOM 766 C ALA A 54 15.978 -4.433 -2.075 1.00 0.00 C ATOM 767 O ALA A 54 17.208 -4.472 -2.165 1.00 0.00 O ATOM 768 CB ALA A 54 14.524 -3.779 -4.057 1.00 0.00 C ATOM 0 H ALA A 54 13.055 -5.338 -2.928 1.00 0.00 H new ATOM 0 HA ALA A 54 15.738 -5.556 -3.852 1.00 0.00 H new ATOM 0 HB1 ALA A 54 15.344 -3.155 -4.413 1.00 0.00 H new ATOM 0 HB2 ALA A 54 13.971 -4.174 -4.910 1.00 0.00 H new ATOM 0 HB3 ALA A 54 13.856 -3.181 -3.437 1.00 0.00 H new ATOM 774 N ASN A 55 15.370 -4.000 -0.965 1.00 0.00 N ATOM 775 CA ASN A 55 16.066 -3.545 0.245 1.00 0.00 C ATOM 776 C ASN A 55 16.844 -4.704 0.913 1.00 0.00 C ATOM 777 O ASN A 55 18.017 -4.554 1.248 1.00 0.00 O ATOM 778 CB ASN A 55 15.007 -2.900 1.163 1.00 0.00 C ATOM 779 CG ASN A 55 15.584 -2.038 2.276 1.00 0.00 C ATOM 780 OD1 ASN A 55 16.488 -2.426 2.996 1.00 0.00 O ATOM 781 ND2 ASN A 55 15.068 -0.839 2.455 1.00 0.00 N ATOM 0 H ASN A 55 14.354 -3.955 -0.881 1.00 0.00 H new ATOM 0 HA ASN A 55 16.828 -2.802 0.010 1.00 0.00 H new ATOM 0 HB2 ASN A 55 14.340 -2.289 0.555 1.00 0.00 H new ATOM 0 HB3 ASN A 55 14.400 -3.689 1.608 1.00 0.00 H new ATOM 0 HD21 ASN A 55 15.425 -0.236 3.196 1.00 0.00 H new ATOM 0 HD22 ASN A 55 14.312 -0.514 1.853 1.00 0.00 H new ATOM 1054 N PRO B 110 -10.129 -13.626 -0.369 1.00 0.00 N ATOM 1055 CA PRO B 110 -11.012 -12.679 0.318 1.00 0.00 C ATOM 1056 C PRO B 110 -10.239 -11.593 1.086 1.00 0.00 C ATOM 1057 O PRO B 110 -9.085 -11.781 1.482 1.00 0.00 O ATOM 1058 CB PRO B 110 -11.904 -13.517 1.238 1.00 0.00 C ATOM 1059 CG PRO B 110 -11.074 -14.778 1.475 1.00 0.00 C ATOM 1060 CD PRO B 110 -10.348 -14.969 0.148 1.00 0.00 C ATOM 0 HA PRO B 110 -11.609 -12.122 -0.404 1.00 0.00 H new ATOM 0 HB2 PRO B 110 -12.122 -12.997 2.171 1.00 0.00 H new ATOM 0 HB3 PRO B 110 -12.861 -13.747 0.770 1.00 0.00 H new ATOM 0 HG2 PRO B 110 -10.375 -14.651 2.302 1.00 0.00 H new ATOM 0 HG3 PRO B 110 -11.703 -15.635 1.717 1.00 0.00 H new ATOM 0 HD2 PRO B 110 -9.404 -15.495 0.289 1.00 0.00 H new ATOM 0 HD3 PRO B 110 -10.944 -15.564 -0.544 1.00 0.00 H new ATOM 1068 N ILE B 111 -10.893 -10.452 1.306 1.00 0.00 N ATOM 1069 CA ILE B 111 -10.265 -9.226 1.820 1.00 0.00 C ATOM 1070 C ILE B 111 -9.552 -9.399 3.175 1.00 0.00 C ATOM 1071 O ILE B 111 -8.514 -8.784 3.409 1.00 0.00 O ATOM 1072 CB ILE B 111 -11.305 -8.086 1.859 1.00 0.00 C ATOM 1073 CG1 ILE B 111 -10.587 -6.746 2.135 1.00 0.00 C ATOM 1074 CG2 ILE B 111 -12.436 -8.329 2.876 1.00 0.00 C ATOM 1075 CD1 ILE B 111 -11.405 -5.530 1.701 1.00 0.00 C ATOM 0 H ILE B 111 -11.892 -10.348 1.130 1.00 0.00 H new ATOM 0 HA ILE B 111 -9.466 -8.966 1.125 1.00 0.00 H new ATOM 0 HB ILE B 111 -11.790 -8.051 0.883 1.00 0.00 H new ATOM 0 HG12 ILE B 111 -10.370 -6.669 3.200 1.00 0.00 H new ATOM 0 HG13 ILE B 111 -9.630 -6.739 1.613 1.00 0.00 H new ATOM 0 HG21 ILE B 111 -13.132 -7.491 2.853 1.00 0.00 H new ATOM 0 HG22 ILE B 111 -12.965 -9.247 2.620 1.00 0.00 H new ATOM 0 HG23 ILE B 111 -12.012 -8.421 3.876 1.00 0.00 H new ATOM 0 HD11 ILE B 111 -10.848 -4.619 1.921 1.00 0.00 H new ATOM 0 HD12 ILE B 111 -11.600 -5.586 0.630 1.00 0.00 H new ATOM 0 HD13 ILE B 111 -12.351 -5.516 2.242 1.00 0.00 H new ATOM 1087 N ASP B 112 -10.056 -10.278 4.045 1.00 0.00 N ATOM 1088 CA ASP B 112 -9.452 -10.592 5.341 1.00 0.00 C ATOM 1089 C ASP B 112 -8.011 -11.121 5.217 1.00 0.00 C ATOM 1090 O ASP B 112 -7.173 -10.831 6.066 1.00 0.00 O ATOM 1091 CB ASP B 112 -10.301 -11.627 6.107 1.00 0.00 C ATOM 1092 CG ASP B 112 -11.793 -11.263 6.233 1.00 0.00 C ATOM 1093 OD1 ASP B 112 -12.249 -11.013 7.373 1.00 0.00 O ATOM 1094 OD2 ASP B 112 -12.516 -11.262 5.207 1.00 0.00 O1- ATOM 0 H ASP B 112 -10.913 -10.801 3.864 1.00 0.00 H new ATOM 0 HA ASP B 112 -9.420 -9.652 5.892 1.00 0.00 H new ATOM 0 HB2 ASP B 112 -10.216 -12.591 5.605 1.00 0.00 H new ATOM 0 HB3 ASP B 112 -9.885 -11.751 7.107 1.00 0.00 H new ATOM 1099 N GLU B 113 -7.714 -11.879 4.155 1.00 0.00 N ATOM 1100 CA GLU B 113 -6.395 -12.478 3.926 1.00 0.00 C ATOM 1101 C GLU B 113 -5.378 -11.461 3.388 1.00 0.00 C ATOM 1102 O GLU B 113 -4.280 -11.358 3.937 1.00 0.00 O ATOM 1103 CB GLU B 113 -6.513 -13.685 2.980 1.00 0.00 C ATOM 1104 CG GLU B 113 -7.435 -14.800 3.497 1.00 0.00 C ATOM 1105 CD GLU B 113 -7.010 -15.381 4.866 1.00 0.00 C ATOM 1106 OE1 GLU B 113 -5.789 -15.494 5.145 1.00 0.00 O ATOM 1107 OE2 GLU B 113 -7.900 -15.771 5.664 1.00 0.00 O1- ATOM 0 H GLU B 113 -8.390 -12.096 3.423 1.00 0.00 H new ATOM 0 HA GLU B 113 -6.021 -12.819 4.891 1.00 0.00 H new ATOM 0 HB2 GLU B 113 -6.883 -13.341 2.014 1.00 0.00 H new ATOM 0 HB3 GLU B 113 -5.519 -14.099 2.811 1.00 0.00 H new ATOM 0 HG2 GLU B 113 -8.450 -14.410 3.578 1.00 0.00 H new ATOM 0 HG3 GLU B 113 -7.461 -15.606 2.764 1.00 0.00 H new ATOM 1114 N LEU B 114 -5.718 -10.658 2.365 1.00 0.00 N ATOM 1115 CA LEU B 114 -4.814 -9.608 1.860 1.00 0.00 C ATOM 1116 C LEU B 114 -4.627 -8.455 2.874 1.00 0.00 C ATOM 1117 O LEU B 114 -3.540 -7.885 2.965 1.00 0.00 O ATOM 1118 CB LEU B 114 -5.227 -9.138 0.452 1.00 0.00 C ATOM 1119 CG LEU B 114 -6.609 -8.481 0.331 1.00 0.00 C ATOM 1120 CD1 LEU B 114 -6.520 -6.963 0.444 1.00 0.00 C ATOM 1121 CD2 LEU B 114 -7.226 -8.805 -1.026 1.00 0.00 C ATOM 0 H LEU B 114 -6.609 -10.715 1.872 1.00 0.00 H new ATOM 0 HA LEU B 114 -3.823 -10.049 1.750 1.00 0.00 H new ATOM 0 HB2 LEU B 114 -4.479 -8.430 0.095 1.00 0.00 H new ATOM 0 HB3 LEU B 114 -5.197 -9.997 -0.218 1.00 0.00 H new ATOM 0 HG LEU B 114 -7.221 -8.873 1.144 1.00 0.00 H new ATOM 0 HD11 LEU B 114 -7.517 -6.532 0.354 1.00 0.00 H new ATOM 0 HD12 LEU B 114 -6.095 -6.694 1.411 1.00 0.00 H new ATOM 0 HD13 LEU B 114 -5.884 -6.576 -0.352 1.00 0.00 H new ATOM 0 HD21 LEU B 114 -8.206 -8.334 -1.102 1.00 0.00 H new ATOM 0 HD22 LEU B 114 -6.580 -8.428 -1.819 1.00 0.00 H new ATOM 0 HD23 LEU B 114 -7.333 -9.885 -1.128 1.00 0.00 H new ATOM 1133 N SER B 115 -5.642 -8.174 3.700 1.00 0.00 N ATOM 1134 CA SER B 115 -5.530 -7.286 4.866 1.00 0.00 C ATOM 1135 C SER B 115 -4.578 -7.859 5.927 1.00 0.00 C ATOM 1136 O SER B 115 -3.670 -7.163 6.393 1.00 0.00 O ATOM 1137 CB SER B 115 -6.919 -7.045 5.466 1.00 0.00 C ATOM 1138 OG SER B 115 -6.848 -6.232 6.625 1.00 0.00 O ATOM 0 H SER B 115 -6.577 -8.562 3.577 1.00 0.00 H new ATOM 0 HA SER B 115 -5.110 -6.337 4.532 1.00 0.00 H new ATOM 0 HB2 SER B 115 -7.560 -6.568 4.724 1.00 0.00 H new ATOM 0 HB3 SER B 115 -7.379 -8.001 5.718 1.00 0.00 H new ATOM 0 HG SER B 115 -7.749 -6.095 6.984 1.00 0.00 H new ATOM 1144 N ALA B 116 -4.707 -9.148 6.269 1.00 0.00 N ATOM 1145 CA ALA B 116 -3.778 -9.801 7.196 1.00 0.00 C ATOM 1146 C ALA B 116 -2.336 -9.800 6.656 1.00 0.00 C ATOM 1147 O ALA B 116 -1.407 -9.555 7.423 1.00 0.00 O ATOM 1148 CB ALA B 116 -4.272 -11.225 7.492 1.00 0.00 C ATOM 0 H ALA B 116 -5.446 -9.757 5.917 1.00 0.00 H new ATOM 0 HA ALA B 116 -3.756 -9.235 8.127 1.00 0.00 H new ATOM 0 HB1 ALA B 116 -3.583 -11.713 8.181 1.00 0.00 H new ATOM 0 HB2 ALA B 116 -5.264 -11.180 7.942 1.00 0.00 H new ATOM 0 HB3 ALA B 116 -4.320 -11.794 6.563 1.00 0.00 H new ATOM 1154 N LEU B 117 -2.126 -9.997 5.348 1.00 0.00 N ATOM 1155 CA LEU B 117 -0.805 -9.942 4.707 1.00 0.00 C ATOM 1156 C LEU B 117 -0.186 -8.536 4.767 1.00 0.00 C ATOM 1157 O LEU B 117 0.970 -8.416 5.179 1.00 0.00 O ATOM 1158 CB LEU B 117 -0.897 -10.452 3.248 1.00 0.00 C ATOM 1159 CG LEU B 117 -0.435 -11.910 3.067 1.00 0.00 C ATOM 1160 CD1 LEU B 117 -1.170 -12.918 3.955 1.00 0.00 C ATOM 1161 CD2 LEU B 117 -0.625 -12.333 1.608 1.00 0.00 C ATOM 0 H LEU B 117 -2.882 -10.203 4.694 1.00 0.00 H new ATOM 0 HA LEU B 117 -0.139 -10.598 5.267 1.00 0.00 H new ATOM 0 HB2 LEU B 117 -1.928 -10.363 2.907 1.00 0.00 H new ATOM 0 HB3 LEU B 117 -0.293 -9.808 2.609 1.00 0.00 H new ATOM 0 HG LEU B 117 0.614 -11.924 3.364 1.00 0.00 H new ATOM 0 HD11 LEU B 117 -0.784 -13.920 3.765 1.00 0.00 H new ATOM 0 HD12 LEU B 117 -1.014 -12.662 5.003 1.00 0.00 H new ATOM 0 HD13 LEU B 117 -2.236 -12.891 3.730 1.00 0.00 H new ATOM 0 HD21 LEU B 117 -0.297 -13.365 1.483 1.00 0.00 H new ATOM 0 HD22 LEU B 117 -1.678 -12.252 1.340 1.00 0.00 H new ATOM 0 HD23 LEU B 117 -0.035 -11.684 0.961 1.00 0.00 H new ATOM 1173 N LEU B 118 -0.912 -7.464 4.412 1.00 0.00 N ATOM 1174 CA LEU B 118 -0.345 -6.106 4.476 1.00 0.00 C ATOM 1175 C LEU B 118 -0.046 -5.667 5.919 1.00 0.00 C ATOM 1176 O LEU B 118 0.957 -4.995 6.160 1.00 0.00 O ATOM 1177 CB LEU B 118 -1.192 -5.095 3.672 1.00 0.00 C ATOM 1178 CG LEU B 118 -2.472 -4.540 4.340 1.00 0.00 C ATOM 1179 CD1 LEU B 118 -2.232 -3.301 5.208 1.00 0.00 C ATOM 1180 CD2 LEU B 118 -3.474 -4.121 3.269 1.00 0.00 C ATOM 0 H LEU B 118 -1.876 -7.508 4.083 1.00 0.00 H new ATOM 0 HA LEU B 118 0.627 -6.130 3.983 1.00 0.00 H new ATOM 0 HB2 LEU B 118 -0.553 -4.250 3.417 1.00 0.00 H new ATOM 0 HB3 LEU B 118 -1.481 -5.570 2.735 1.00 0.00 H new ATOM 0 HG LEU B 118 -2.837 -5.349 4.973 1.00 0.00 H new ATOM 0 HD11 LEU B 118 -3.176 -2.972 5.641 1.00 0.00 H new ATOM 0 HD12 LEU B 118 -1.532 -3.546 6.007 1.00 0.00 H new ATOM 0 HD13 LEU B 118 -1.816 -2.502 4.594 1.00 0.00 H new ATOM 0 HD21 LEU B 118 -4.374 -3.731 3.745 1.00 0.00 H new ATOM 0 HD22 LEU B 118 -3.032 -3.348 2.640 1.00 0.00 H new ATOM 0 HD23 LEU B 118 -3.733 -4.984 2.656 1.00 0.00 H new ATOM 1192 N ARG B 119 -0.858 -6.094 6.896 1.00 0.00 N ATOM 1193 CA ARG B 119 -0.614 -5.826 8.322 1.00 0.00 C ATOM 1194 C ARG B 119 0.540 -6.670 8.893 1.00 0.00 C ATOM 1195 O ARG B 119 1.335 -6.152 9.675 1.00 0.00 O ATOM 1196 CB ARG B 119 -1.928 -6.013 9.095 1.00 0.00 C ATOM 1197 CG ARG B 119 -2.944 -4.906 8.751 1.00 0.00 C ATOM 1198 CD ARG B 119 -4.159 -4.924 9.688 1.00 0.00 C ATOM 1199 NE ARG B 119 -3.764 -4.583 11.067 1.00 0.00 N ATOM 1200 CZ ARG B 119 -4.513 -4.555 12.147 1.00 0.00 C ATOM 1201 NH1 ARG B 119 -5.795 -4.788 12.129 1.00 0.00 N1+ ATOM 1202 NH2 ARG B 119 -3.940 -4.264 13.274 1.00 0.00 N ATOM 0 H ARG B 119 -1.704 -6.636 6.720 1.00 0.00 H new ATOM 0 HA ARG B 119 -0.285 -4.793 8.437 1.00 0.00 H new ATOM 0 HB2 ARG B 119 -2.355 -6.988 8.859 1.00 0.00 H new ATOM 0 HB3 ARG B 119 -1.726 -6.004 10.166 1.00 0.00 H new ATOM 0 HG2 ARG B 119 -2.454 -3.934 8.812 1.00 0.00 H new ATOM 0 HG3 ARG B 119 -3.279 -5.030 7.721 1.00 0.00 H new ATOM 0 HD2 ARG B 119 -4.907 -4.215 9.334 1.00 0.00 H new ATOM 0 HD3 ARG B 119 -4.622 -5.911 9.671 1.00 0.00 H new ATOM 0 HE ARG B 119 -2.783 -4.337 11.200 1.00 0.00 H new ATOM 0 HH11 ARG B 119 -6.262 -5.004 11.248 1.00 0.00 H new ATOM 0 HH12 ARG B 119 -6.332 -4.754 12.996 1.00 0.00 H new ATOM 0 HH21 ARG B 119 -2.940 -4.066 13.301 1.00 0.00 H new ATOM 0 HH22 ARG B 119 -4.490 -4.233 14.133 1.00 0.00 H new ATOM 1216 N GLN B 120 0.705 -7.921 8.451 1.00 0.00 N ATOM 1217 CA GLN B 120 1.840 -8.784 8.770 1.00 0.00 C ATOM 1218 C GLN B 120 3.165 -8.235 8.206 1.00 0.00 C ATOM 1219 O GLN B 120 4.181 -8.270 8.898 1.00 0.00 O ATOM 1220 CB GLN B 120 1.513 -10.189 8.234 1.00 0.00 C ATOM 1221 CG GLN B 120 2.621 -11.212 8.489 1.00 0.00 C ATOM 1222 CD GLN B 120 2.297 -12.611 7.963 1.00 0.00 C ATOM 1223 OE1 GLN B 120 3.071 -13.221 7.236 1.00 0.00 O ATOM 1224 NE2 GLN B 120 1.141 -13.167 8.267 1.00 0.00 N ATOM 0 H GLN B 120 0.026 -8.374 7.839 1.00 0.00 H new ATOM 0 HA GLN B 120 1.990 -8.823 9.849 1.00 0.00 H new ATOM 0 HB2 GLN B 120 0.591 -10.541 8.697 1.00 0.00 H new ATOM 0 HB3 GLN B 120 1.327 -10.126 7.162 1.00 0.00 H new ATOM 0 HG2 GLN B 120 3.542 -10.862 8.022 1.00 0.00 H new ATOM 0 HG3 GLN B 120 2.810 -11.271 9.561 1.00 0.00 H new ATOM 0 HE21 GLN B 120 0.482 -12.676 8.871 1.00 0.00 H new ATOM 0 HE22 GLN B 120 0.906 -14.088 7.898 1.00 0.00 H new ATOM 1233 N GLU B 121 3.160 -7.662 6.997 1.00 0.00 N ATOM 1234 CA GLU B 121 4.314 -6.939 6.428 1.00 0.00 C ATOM 1235 C GLU B 121 4.725 -5.721 7.275 1.00 0.00 C ATOM 1236 O GLU B 121 5.915 -5.433 7.405 1.00 0.00 O ATOM 1237 CB GLU B 121 3.991 -6.486 4.989 1.00 0.00 C ATOM 1238 CG GLU B 121 4.076 -7.608 3.941 1.00 0.00 C ATOM 1239 CD GLU B 121 5.499 -8.158 3.722 1.00 0.00 C ATOM 1240 OE1 GLU B 121 5.621 -9.246 3.104 1.00 0.00 O ATOM 1241 OE2 GLU B 121 6.494 -7.516 4.134 1.00 0.00 O1- ATOM 0 H GLU B 121 2.350 -7.685 6.377 1.00 0.00 H new ATOM 0 HA GLU B 121 5.156 -7.631 6.424 1.00 0.00 H new ATOM 0 HB2 GLU B 121 2.987 -6.062 4.970 1.00 0.00 H new ATOM 0 HB3 GLU B 121 4.679 -5.689 4.708 1.00 0.00 H new ATOM 0 HG2 GLU B 121 3.425 -8.427 4.247 1.00 0.00 H new ATOM 0 HG3 GLU B 121 3.693 -7.234 2.992 1.00 0.00 H new ATOM 1248 N MET B 122 3.757 -5.020 7.880 1.00 0.00 N ATOM 1249 CA MET B 122 3.985 -3.909 8.820 1.00 0.00 C ATOM 1250 C MET B 122 4.347 -4.364 10.251 1.00 0.00 C ATOM 1251 O MET B 122 4.723 -3.538 11.088 1.00 0.00 O ATOM 1252 CB MET B 122 2.744 -3.011 8.849 1.00 0.00 C ATOM 1253 CG MET B 122 2.477 -2.358 7.489 1.00 0.00 C ATOM 1254 SD MET B 122 0.824 -1.651 7.374 1.00 0.00 S ATOM 1255 CE MET B 122 0.735 -1.477 5.580 1.00 0.00 C ATOM 0 H MET B 122 2.767 -5.213 7.727 1.00 0.00 H new ATOM 0 HA MET B 122 4.853 -3.359 8.455 1.00 0.00 H new ATOM 0 HB2 MET B 122 1.876 -3.601 9.145 1.00 0.00 H new ATOM 0 HB3 MET B 122 2.875 -2.236 9.604 1.00 0.00 H new ATOM 0 HG2 MET B 122 3.216 -1.576 7.314 1.00 0.00 H new ATOM 0 HG3 MET B 122 2.606 -3.101 6.702 1.00 0.00 H new ATOM 0 HE1 MET B 122 -0.154 -0.906 5.314 1.00 0.00 H new ATOM 0 HE2 MET B 122 1.622 -0.956 5.221 1.00 0.00 H new ATOM 0 HE3 MET B 122 0.683 -2.464 5.121 1.00 0.00 H new ATOM 1349 N SER B 133 -17.712 0.916 4.036 1.00 0.00 N ATOM 1350 CA SER B 133 -17.854 2.384 4.091 1.00 0.00 C ATOM 1351 C SER B 133 -16.589 3.106 3.614 1.00 0.00 C ATOM 1352 O SER B 133 -15.477 2.598 3.775 1.00 0.00 O ATOM 1353 CB SER B 133 -18.200 2.844 5.512 1.00 0.00 C ATOM 1354 OG SER B 133 -19.429 2.269 5.943 1.00 0.00 O ATOM 0 HA SER B 133 -18.668 2.645 3.415 1.00 0.00 H new ATOM 0 HB2 SER B 133 -17.400 2.560 6.196 1.00 0.00 H new ATOM 0 HB3 SER B 133 -18.272 3.931 5.540 1.00 0.00 H new ATOM 0 HG SER B 133 -19.590 1.436 5.453 1.00 0.00 H new ATOM 1360 N MET B 134 -16.734 4.323 3.072 1.00 0.00 N ATOM 1361 CA MET B 134 -15.616 5.100 2.505 1.00 0.00 C ATOM 1362 C MET B 134 -14.500 5.378 3.531 1.00 0.00 C ATOM 1363 O MET B 134 -13.313 5.281 3.214 1.00 0.00 O ATOM 1364 CB MET B 134 -16.154 6.409 1.903 1.00 0.00 C ATOM 1365 CG MET B 134 -15.190 7.047 0.894 1.00 0.00 C ATOM 1366 SD MET B 134 -15.597 6.764 -0.857 1.00 0.00 S ATOM 1367 CE MET B 134 -15.203 5.007 -1.048 1.00 0.00 C ATOM 0 H MET B 134 -17.633 4.801 3.013 1.00 0.00 H new ATOM 0 HA MET B 134 -15.158 4.498 1.720 1.00 0.00 H new ATOM 0 HB2 MET B 134 -17.107 6.212 1.412 1.00 0.00 H new ATOM 0 HB3 MET B 134 -16.351 7.118 2.707 1.00 0.00 H new ATOM 0 HG2 MET B 134 -15.161 8.122 1.074 1.00 0.00 H new ATOM 0 HG3 MET B 134 -14.187 6.665 1.083 1.00 0.00 H new ATOM 0 HE1 MET B 134 -15.268 4.732 -2.101 1.00 0.00 H new ATOM 0 HE2 MET B 134 -14.192 4.819 -0.686 1.00 0.00 H new ATOM 0 HE3 MET B 134 -15.911 4.411 -0.473 1.00 0.00 H new ATOM 1377 N GLN B 135 -14.869 5.630 4.790 1.00 0.00 N ATOM 1378 CA GLN B 135 -13.932 5.849 5.900 1.00 0.00 C ATOM 1379 C GLN B 135 -13.115 4.587 6.256 1.00 0.00 C ATOM 1380 O GLN B 135 -11.986 4.698 6.737 1.00 0.00 O ATOM 1381 CB GLN B 135 -14.747 6.373 7.099 1.00 0.00 C ATOM 1382 CG GLN B 135 -13.892 6.693 8.340 1.00 0.00 C ATOM 1383 CD GLN B 135 -14.646 7.426 9.454 1.00 0.00 C ATOM 1384 OE1 GLN B 135 -15.842 7.691 9.395 1.00 0.00 O ATOM 1385 NE2 GLN B 135 -13.971 7.791 10.524 1.00 0.00 N ATOM 0 H GLN B 135 -15.847 5.689 5.074 1.00 0.00 H new ATOM 0 HA GLN B 135 -13.183 6.584 5.603 1.00 0.00 H new ATOM 0 HB2 GLN B 135 -15.283 7.273 6.797 1.00 0.00 H new ATOM 0 HB3 GLN B 135 -15.498 5.630 7.368 1.00 0.00 H new ATOM 0 HG2 GLN B 135 -13.491 5.762 8.741 1.00 0.00 H new ATOM 0 HG3 GLN B 135 -13.041 7.300 8.033 1.00 0.00 H new ATOM 0 HE21 GLN B 135 -12.975 7.581 10.595 1.00 0.00 H new ATOM 0 HE22 GLN B 135 -14.444 8.283 11.282 1.00 0.00 H new ATOM 1394 N ASP B 136 -13.648 3.387 6.012 1.00 0.00 N ATOM 1395 CA ASP B 136 -12.947 2.117 6.258 1.00 0.00 C ATOM 1396 C ASP B 136 -11.866 1.872 5.189 1.00 0.00 C ATOM 1397 O ASP B 136 -10.701 1.631 5.513 1.00 0.00 O ATOM 1398 CB ASP B 136 -13.941 0.938 6.297 1.00 0.00 C ATOM 1399 CG ASP B 136 -15.074 1.046 7.337 1.00 0.00 C ATOM 1400 OD1 ASP B 136 -16.089 0.327 7.174 1.00 0.00 O ATOM 1401 OD2 ASP B 136 -14.950 1.802 8.336 1.00 0.00 O1- ATOM 0 H ASP B 136 -14.588 3.265 5.634 1.00 0.00 H new ATOM 0 HA ASP B 136 -12.460 2.187 7.231 1.00 0.00 H new ATOM 0 HB2 ASP B 136 -14.390 0.834 5.309 1.00 0.00 H new ATOM 0 HB3 ASP B 136 -13.382 0.023 6.491 1.00 0.00 H new ATOM 1406 N ILE B 137 -12.238 2.008 3.908 1.00 0.00 N ATOM 1407 CA ILE B 137 -11.326 1.822 2.770 1.00 0.00 C ATOM 1408 C ILE B 137 -10.239 2.906 2.719 1.00 0.00 C ATOM 1409 O ILE B 137 -9.076 2.576 2.480 1.00 0.00 O ATOM 1410 CB ILE B 137 -12.110 1.680 1.442 1.00 0.00 C ATOM 1411 CG1 ILE B 137 -11.150 1.405 0.260 1.00 0.00 C ATOM 1412 CG2 ILE B 137 -13.014 2.883 1.156 1.00 0.00 C ATOM 1413 CD1 ILE B 137 -11.857 1.195 -1.085 1.00 0.00 C ATOM 0 H ILE B 137 -13.189 2.252 3.630 1.00 0.00 H new ATOM 0 HA ILE B 137 -10.794 0.882 2.918 1.00 0.00 H new ATOM 0 HB ILE B 137 -12.770 0.820 1.556 1.00 0.00 H new ATOM 0 HG12 ILE B 137 -10.456 2.241 0.167 1.00 0.00 H new ATOM 0 HG13 ILE B 137 -10.555 0.521 0.487 1.00 0.00 H new ATOM 0 HG21 ILE B 137 -13.538 2.728 0.213 1.00 0.00 H new ATOM 0 HG22 ILE B 137 -13.740 2.992 1.961 1.00 0.00 H new ATOM 0 HG23 ILE B 137 -12.408 3.786 1.090 1.00 0.00 H new ATOM 0 HD11 ILE B 137 -11.115 1.008 -1.861 1.00 0.00 H new ATOM 0 HD12 ILE B 137 -12.530 0.340 -1.013 1.00 0.00 H new ATOM 0 HD13 ILE B 137 -12.430 2.087 -1.338 1.00 0.00 H new ATOM 1425 N GLN B 138 -10.565 4.178 3.005 1.00 0.00 N ATOM 1426 CA GLN B 138 -9.574 5.266 3.024 1.00 0.00 C ATOM 1427 C GLN B 138 -8.426 4.984 4.005 1.00 0.00 C ATOM 1428 O GLN B 138 -7.258 5.068 3.620 1.00 0.00 O ATOM 1429 CB GLN B 138 -10.223 6.609 3.409 1.00 0.00 C ATOM 1430 CG GLN B 138 -10.965 7.293 2.258 1.00 0.00 C ATOM 1431 CD GLN B 138 -11.694 8.527 2.787 1.00 0.00 C ATOM 1432 OE1 GLN B 138 -12.910 8.547 2.948 1.00 0.00 O ATOM 1433 NE2 GLN B 138 -10.981 9.585 3.119 1.00 0.00 N ATOM 0 H GLN B 138 -11.514 4.479 3.228 1.00 0.00 H new ATOM 0 HA GLN B 138 -9.173 5.325 2.012 1.00 0.00 H new ATOM 0 HB2 GLN B 138 -10.921 6.442 4.229 1.00 0.00 H new ATOM 0 HB3 GLN B 138 -9.450 7.282 3.780 1.00 0.00 H new ATOM 0 HG2 GLN B 138 -10.261 7.580 1.476 1.00 0.00 H new ATOM 0 HG3 GLN B 138 -11.677 6.601 1.808 1.00 0.00 H new ATOM 0 HE21 GLN B 138 -9.969 9.579 2.989 1.00 0.00 H new ATOM 0 HE22 GLN B 138 -11.441 10.409 3.505 1.00 0.00 H new ATOM 1442 N GLN B 139 -8.736 4.612 5.255 1.00 0.00 N ATOM 1443 CA GLN B 139 -7.719 4.377 6.290 1.00 0.00 C ATOM 1444 C GLN B 139 -6.814 3.176 5.968 1.00 0.00 C ATOM 1445 O GLN B 139 -5.590 3.279 6.065 1.00 0.00 O ATOM 1446 CB GLN B 139 -8.396 4.189 7.652 1.00 0.00 C ATOM 1447 CG GLN B 139 -9.004 5.487 8.198 1.00 0.00 C ATOM 1448 CD GLN B 139 -9.721 5.246 9.517 1.00 0.00 C ATOM 1449 OE1 GLN B 139 -9.195 5.454 10.606 1.00 0.00 O ATOM 1450 NE2 GLN B 139 -10.952 4.774 9.469 1.00 0.00 N ATOM 0 H GLN B 139 -9.693 4.466 5.576 1.00 0.00 H new ATOM 0 HA GLN B 139 -7.075 5.256 6.319 1.00 0.00 H new ATOM 0 HB2 GLN B 139 -9.179 3.436 7.563 1.00 0.00 H new ATOM 0 HB3 GLN B 139 -7.666 3.807 8.366 1.00 0.00 H new ATOM 0 HG2 GLN B 139 -8.218 6.229 8.339 1.00 0.00 H new ATOM 0 HG3 GLN B 139 -9.704 5.898 7.470 1.00 0.00 H new ATOM 0 HE21 GLN B 139 -11.396 4.599 8.568 1.00 0.00 H new ATOM 0 HE22 GLN B 139 -11.460 4.585 10.333 1.00 0.00 H new ATOM 1459 N LEU B 140 -7.394 2.042 5.555 1.00 0.00 N ATOM 1460 CA LEU B 140 -6.634 0.816 5.280 1.00 0.00 C ATOM 1461 C LEU B 140 -5.791 0.925 3.995 1.00 0.00 C ATOM 1462 O LEU B 140 -4.637 0.488 3.971 1.00 0.00 O ATOM 1463 CB LEU B 140 -7.617 -0.367 5.244 1.00 0.00 C ATOM 1464 CG LEU B 140 -6.955 -1.751 5.108 1.00 0.00 C ATOM 1465 CD1 LEU B 140 -5.966 -2.055 6.235 1.00 0.00 C ATOM 1466 CD2 LEU B 140 -8.036 -2.827 5.146 1.00 0.00 C ATOM 0 H LEU B 140 -8.398 1.948 5.403 1.00 0.00 H new ATOM 0 HA LEU B 140 -5.909 0.653 6.077 1.00 0.00 H new ATOM 0 HB2 LEU B 140 -8.214 -0.353 6.156 1.00 0.00 H new ATOM 0 HB3 LEU B 140 -8.305 -0.225 4.410 1.00 0.00 H new ATOM 0 HG LEU B 140 -6.409 -1.745 4.165 1.00 0.00 H new ATOM 0 HD11 LEU B 140 -5.533 -3.044 6.083 1.00 0.00 H new ATOM 0 HD12 LEU B 140 -5.173 -1.308 6.234 1.00 0.00 H new ATOM 0 HD13 LEU B 140 -6.487 -2.030 7.192 1.00 0.00 H new ATOM 0 HD21 LEU B 140 -7.575 -3.810 5.050 1.00 0.00 H new ATOM 0 HD22 LEU B 140 -8.574 -2.769 6.092 1.00 0.00 H new ATOM 0 HD23 LEU B 140 -8.733 -2.672 4.323 1.00 0.00 H new ATOM 1478 N LEU B 141 -6.322 1.565 2.948 1.00 0.00 N ATOM 1479 CA LEU B 141 -5.600 1.812 1.697 1.00 0.00 C ATOM 1480 C LEU B 141 -4.528 2.910 1.848 1.00 0.00 C ATOM 1481 O LEU B 141 -3.459 2.820 1.244 1.00 0.00 O ATOM 1482 CB LEU B 141 -6.622 2.093 0.582 1.00 0.00 C ATOM 1483 CG LEU B 141 -6.058 2.061 -0.851 1.00 0.00 C ATOM 1484 CD1 LEU B 141 -5.498 0.691 -1.235 1.00 0.00 C ATOM 1485 CD2 LEU B 141 -7.180 2.388 -1.837 1.00 0.00 C ATOM 0 H LEU B 141 -7.275 1.929 2.946 1.00 0.00 H new ATOM 0 HA LEU B 141 -5.034 0.923 1.419 1.00 0.00 H new ATOM 0 HB2 LEU B 141 -7.425 1.360 0.655 1.00 0.00 H new ATOM 0 HB3 LEU B 141 -7.067 3.072 0.758 1.00 0.00 H new ATOM 0 HG LEU B 141 -5.249 2.790 -0.889 1.00 0.00 H new ATOM 0 HD11 LEU B 141 -5.115 0.727 -2.255 1.00 0.00 H new ATOM 0 HD12 LEU B 141 -4.691 0.424 -0.553 1.00 0.00 H new ATOM 0 HD13 LEU B 141 -6.289 -0.056 -1.171 1.00 0.00 H new ATOM 0 HD21 LEU B 141 -6.788 2.367 -2.854 1.00 0.00 H new ATOM 0 HD22 LEU B 141 -7.976 1.650 -1.740 1.00 0.00 H new ATOM 0 HD23 LEU B 141 -7.576 3.380 -1.621 1.00 0.00 H new ATOM 1497 N ALA B 142 -4.749 3.901 2.722 1.00 0.00 N ATOM 1498 CA ALA B 142 -3.714 4.868 3.109 1.00 0.00 C ATOM 1499 C ALA B 142 -2.564 4.221 3.902 1.00 0.00 C ATOM 1500 O ALA B 142 -1.416 4.625 3.718 1.00 0.00 O ATOM 1501 CB ALA B 142 -4.342 6.008 3.917 1.00 0.00 C ATOM 0 H ALA B 142 -5.648 4.054 3.179 1.00 0.00 H new ATOM 0 HA ALA B 142 -3.280 5.263 2.190 1.00 0.00 H new ATOM 0 HB1 ALA B 142 -3.569 6.722 4.201 1.00 0.00 H new ATOM 0 HB2 ALA B 142 -5.096 6.511 3.311 1.00 0.00 H new ATOM 0 HB3 ALA B 142 -4.809 5.603 4.815 1.00 0.00 H new ATOM 1507 N LYS B 143 -2.832 3.214 4.748 1.00 0.00 N ATOM 1508 CA LYS B 143 -1.803 2.512 5.527 1.00 0.00 C ATOM 1509 C LYS B 143 -0.783 1.808 4.621 1.00 0.00 C ATOM 1510 O LYS B 143 0.424 1.982 4.799 1.00 0.00 O ATOM 1511 CB LYS B 143 -2.471 1.539 6.516 1.00 0.00 C ATOM 1512 CG LYS B 143 -1.524 1.233 7.687 1.00 0.00 C ATOM 1513 CD LYS B 143 -2.104 0.182 8.645 1.00 0.00 C ATOM 1514 CE LYS B 143 -1.167 -0.021 9.843 1.00 0.00 C ATOM 1515 NZ LYS B 143 -1.666 -1.064 10.778 1.00 0.00 N1+ ATOM 0 H LYS B 143 -3.776 2.863 4.911 1.00 0.00 H new ATOM 0 HA LYS B 143 -1.239 3.247 6.101 1.00 0.00 H new ATOM 0 HB2 LYS B 143 -3.398 1.972 6.893 1.00 0.00 H new ATOM 0 HB3 LYS B 143 -2.737 0.614 6.003 1.00 0.00 H new ATOM 0 HG2 LYS B 143 -0.570 0.879 7.297 1.00 0.00 H new ATOM 0 HG3 LYS B 143 -1.322 2.152 8.238 1.00 0.00 H new ATOM 0 HD2 LYS B 143 -3.087 0.500 8.993 1.00 0.00 H new ATOM 0 HD3 LYS B 143 -2.243 -0.762 8.119 1.00 0.00 H new ATOM 0 HE2 LYS B 143 -0.177 -0.302 9.484 1.00 0.00 H new ATOM 0 HE3 LYS B 143 -1.056 0.922 10.379 1.00 0.00 H new ATOM 0 HZ1 LYS B 143 -1.001 -1.166 11.571 1.00 0.00 H new ATOM 0 HZ2 LYS B 143 -2.599 -0.786 11.143 1.00 0.00 H new ATOM 0 HZ3 LYS B 143 -1.747 -1.971 10.275 1.00 0.00 H new ATOM 1529 N SER B 144 -1.247 1.071 3.606 1.00 0.00 N ATOM 1530 CA SER B 144 -0.371 0.446 2.602 1.00 0.00 C ATOM 1531 C SER B 144 0.391 1.472 1.737 1.00 0.00 C ATOM 1532 O SER B 144 1.594 1.310 1.521 1.00 0.00 O ATOM 1533 CB SER B 144 -1.161 -0.546 1.742 1.00 0.00 C ATOM 1534 OG SER B 144 -2.130 0.111 0.950 1.00 0.00 O ATOM 0 H SER B 144 -2.239 0.889 3.455 1.00 0.00 H new ATOM 0 HA SER B 144 0.396 -0.103 3.148 1.00 0.00 H new ATOM 0 HB2 SER B 144 -0.476 -1.097 1.098 1.00 0.00 H new ATOM 0 HB3 SER B 144 -1.651 -1.277 2.385 1.00 0.00 H new ATOM 0 HG SER B 144 -2.313 0.997 1.326 1.00 0.00 H new ATOM 1540 N LEU B 145 -0.246 2.574 1.317 1.00 0.00 N ATOM 1541 CA LEU B 145 0.424 3.660 0.581 1.00 0.00 C ATOM 1542 C LEU B 145 1.504 4.353 1.432 1.00 0.00 C ATOM 1543 O LEU B 145 2.613 4.599 0.952 1.00 0.00 O ATOM 1544 CB LEU B 145 -0.659 4.618 0.034 1.00 0.00 C ATOM 1545 CG LEU B 145 -0.209 5.808 -0.833 1.00 0.00 C ATOM 1546 CD1 LEU B 145 0.229 7.027 -0.025 1.00 0.00 C ATOM 1547 CD2 LEU B 145 0.883 5.444 -1.851 1.00 0.00 C ATOM 0 H LEU B 145 -1.240 2.739 1.477 1.00 0.00 H new ATOM 0 HA LEU B 145 0.976 3.256 -0.268 1.00 0.00 H new ATOM 0 HB2 LEU B 145 -1.361 4.026 -0.553 1.00 0.00 H new ATOM 0 HB3 LEU B 145 -1.211 5.017 0.885 1.00 0.00 H new ATOM 0 HG LEU B 145 -1.111 6.078 -1.383 1.00 0.00 H new ATOM 0 HD11 LEU B 145 0.532 7.824 -0.704 1.00 0.00 H new ATOM 0 HD12 LEU B 145 -0.601 7.372 0.592 1.00 0.00 H new ATOM 0 HD13 LEU B 145 1.069 6.757 0.615 1.00 0.00 H new ATOM 0 HD21 LEU B 145 1.152 6.329 -2.428 1.00 0.00 H new ATOM 0 HD22 LEU B 145 1.762 5.073 -1.324 1.00 0.00 H new ATOM 0 HD23 LEU B 145 0.510 4.672 -2.524 1.00 0.00 H new ATOM 1559 N THR B 146 1.236 4.591 2.717 1.00 0.00 N ATOM 1560 CA THR B 146 2.220 5.154 3.663 1.00 0.00 C ATOM 1561 C THR B 146 3.440 4.245 3.807 1.00 0.00 C ATOM 1562 O THR B 146 4.568 4.735 3.829 1.00 0.00 O ATOM 1563 CB THR B 146 1.582 5.415 5.044 1.00 0.00 C ATOM 1564 OG1 THR B 146 0.530 6.354 4.926 1.00 0.00 O ATOM 1565 CG2 THR B 146 2.562 5.993 6.066 1.00 0.00 C ATOM 0 H THR B 146 0.328 4.400 3.140 1.00 0.00 H new ATOM 0 HA THR B 146 2.552 6.107 3.252 1.00 0.00 H new ATOM 0 HB THR B 146 1.235 4.441 5.390 1.00 0.00 H new ATOM 0 HG1 THR B 146 -0.249 5.923 4.515 1.00 0.00 H new ATOM 0 HG21 THR B 146 2.048 6.152 7.014 1.00 0.00 H new ATOM 0 HG22 THR B 146 3.387 5.296 6.213 1.00 0.00 H new ATOM 0 HG23 THR B 146 2.951 6.943 5.700 1.00 0.00 H new ATOM 1573 N GLU B 147 3.261 2.923 3.834 1.00 0.00 N ATOM 1574 CA GLU B 147 4.371 1.963 3.881 1.00 0.00 C ATOM 1575 C GLU B 147 5.207 1.943 2.580 1.00 0.00 C ATOM 1576 O GLU B 147 6.429 1.811 2.646 1.00 0.00 O ATOM 1577 CB GLU B 147 3.812 0.579 4.252 1.00 0.00 C ATOM 1578 CG GLU B 147 4.835 -0.560 4.385 1.00 0.00 C ATOM 1579 CD GLU B 147 5.762 -0.465 5.612 1.00 0.00 C ATOM 1580 OE1 GLU B 147 6.227 -1.526 6.077 1.00 0.00 O ATOM 1581 OE2 GLU B 147 6.087 0.635 6.113 1.00 0.00 O1- ATOM 0 H GLU B 147 2.340 2.484 3.824 1.00 0.00 H new ATOM 0 HA GLU B 147 5.076 2.278 4.650 1.00 0.00 H new ATOM 0 HB2 GLU B 147 3.277 0.669 5.197 1.00 0.00 H new ATOM 0 HB3 GLU B 147 3.079 0.293 3.497 1.00 0.00 H new ATOM 0 HG2 GLU B 147 4.298 -1.507 4.427 1.00 0.00 H new ATOM 0 HG3 GLU B 147 5.450 -0.582 3.485 1.00 0.00 H new ATOM 1588 N ILE B 148 4.599 2.169 1.406 1.00 0.00 N ATOM 1589 CA ILE B 148 5.343 2.366 0.143 1.00 0.00 C ATOM 1590 C ILE B 148 6.252 3.604 0.239 1.00 0.00 C ATOM 1591 O ILE B 148 7.453 3.509 -0.028 1.00 0.00 O ATOM 1592 CB ILE B 148 4.404 2.446 -1.083 1.00 0.00 C ATOM 1593 CG1 ILE B 148 3.675 1.103 -1.298 1.00 0.00 C ATOM 1594 CG2 ILE B 148 5.167 2.837 -2.366 1.00 0.00 C ATOM 1595 CD1 ILE B 148 2.469 1.200 -2.237 1.00 0.00 C ATOM 0 H ILE B 148 3.586 2.221 1.300 1.00 0.00 H new ATOM 0 HA ILE B 148 5.973 1.489 -0.007 1.00 0.00 H new ATOM 0 HB ILE B 148 3.671 3.225 -0.876 1.00 0.00 H new ATOM 0 HG12 ILE B 148 4.381 0.377 -1.702 1.00 0.00 H new ATOM 0 HG13 ILE B 148 3.343 0.722 -0.333 1.00 0.00 H new ATOM 0 HG21 ILE B 148 4.471 2.882 -3.204 1.00 0.00 H new ATOM 0 HG22 ILE B 148 5.634 3.813 -2.229 1.00 0.00 H new ATOM 0 HG23 ILE B 148 5.936 2.093 -2.573 1.00 0.00 H new ATOM 0 HD11 ILE B 148 2.008 0.218 -2.340 1.00 0.00 H new ATOM 0 HD12 ILE B 148 1.743 1.901 -1.825 1.00 0.00 H new ATOM 0 HD13 ILE B 148 2.797 1.551 -3.215 1.00 0.00 H new ATOM 1607 N LYS B 149 5.707 4.751 0.677 1.00 0.00 N ATOM 1608 CA LYS B 149 6.470 5.991 0.944 1.00 0.00 C ATOM 1609 C LYS B 149 7.620 5.739 1.936 1.00 0.00 C ATOM 1610 O LYS B 149 8.757 6.135 1.666 1.00 0.00 O ATOM 1611 CB LYS B 149 5.530 7.089 1.493 1.00 0.00 C ATOM 1612 CG LYS B 149 5.000 8.067 0.437 1.00 0.00 C ATOM 1613 CD LYS B 149 4.161 7.423 -0.674 1.00 0.00 C ATOM 1614 CE LYS B 149 3.334 8.455 -1.463 1.00 0.00 C ATOM 1615 NZ LYS B 149 4.184 9.434 -2.185 1.00 0.00 N1+ ATOM 0 H LYS B 149 4.708 4.849 0.860 1.00 0.00 H new ATOM 0 HA LYS B 149 6.903 6.326 0.002 1.00 0.00 H new ATOM 0 HB2 LYS B 149 4.682 6.610 1.983 1.00 0.00 H new ATOM 0 HB3 LYS B 149 6.062 7.655 2.258 1.00 0.00 H new ATOM 0 HG2 LYS B 149 4.396 8.825 0.935 1.00 0.00 H new ATOM 0 HG3 LYS B 149 5.846 8.582 -0.018 1.00 0.00 H new ATOM 0 HD2 LYS B 149 4.820 6.890 -1.359 1.00 0.00 H new ATOM 0 HD3 LYS B 149 3.491 6.683 -0.236 1.00 0.00 H new ATOM 0 HE2 LYS B 149 2.697 7.935 -2.178 1.00 0.00 H new ATOM 0 HE3 LYS B 149 2.675 8.987 -0.778 1.00 0.00 H new ATOM 0 HZ1 LYS B 149 3.580 10.085 -2.727 1.00 0.00 H new ATOM 0 HZ2 LYS B 149 4.749 9.975 -1.500 1.00 0.00 H new ATOM 0 HZ3 LYS B 149 4.819 8.929 -2.835 1.00 0.00 H new ATOM 1629 N ARG B 150 7.344 5.035 3.041 1.00 0.00 N ATOM 1630 CA ARG B 150 8.306 4.708 4.111 1.00 0.00 C ATOM 1631 C ARG B 150 9.476 3.878 3.586 1.00 0.00 C ATOM 1632 O ARG B 150 10.628 4.220 3.852 1.00 0.00 O ATOM 1633 CB ARG B 150 7.553 4.011 5.266 1.00 0.00 C ATOM 1634 CG ARG B 150 8.299 3.975 6.611 1.00 0.00 C ATOM 1635 CD ARG B 150 9.305 2.830 6.801 1.00 0.00 C ATOM 1636 NE ARG B 150 8.638 1.520 6.954 1.00 0.00 N ATOM 1637 CZ ARG B 150 9.114 0.449 7.565 1.00 0.00 C ATOM 1638 NH1 ARG B 150 10.291 0.436 8.120 1.00 0.00 N1+ ATOM 1639 NH2 ARG B 150 8.409 -0.640 7.632 1.00 0.00 N ATOM 0 H ARG B 150 6.412 4.662 3.225 1.00 0.00 H new ATOM 0 HA ARG B 150 8.750 5.627 4.493 1.00 0.00 H new ATOM 0 HB2 ARG B 150 6.598 4.516 5.412 1.00 0.00 H new ATOM 0 HB3 ARG B 150 7.329 2.987 4.966 1.00 0.00 H new ATOM 0 HG2 ARG B 150 8.829 4.920 6.734 1.00 0.00 H new ATOM 0 HG3 ARG B 150 7.560 3.918 7.410 1.00 0.00 H new ATOM 0 HD2 ARG B 150 9.979 2.795 5.945 1.00 0.00 H new ATOM 0 HD3 ARG B 150 9.917 3.029 7.681 1.00 0.00 H new ATOM 0 HE ARG B 150 7.709 1.433 6.543 1.00 0.00 H new ATOM 0 HH11 ARG B 150 10.877 1.270 8.092 1.00 0.00 H new ATOM 0 HH12 ARG B 150 10.627 -0.408 8.583 1.00 0.00 H new ATOM 0 HH21 ARG B 150 7.480 -0.673 7.211 1.00 0.00 H new ATOM 0 HH22 ARG B 150 8.784 -1.462 8.105 1.00 0.00 H new ATOM 1653 N LEU B 151 9.205 2.829 2.809 1.00 0.00 N ATOM 1654 CA LEU B 151 10.237 1.953 2.241 1.00 0.00 C ATOM 1655 C LEU B 151 11.057 2.635 1.136 1.00 0.00 C ATOM 1656 O LEU B 151 12.280 2.488 1.124 1.00 0.00 O ATOM 1657 CB LEU B 151 9.595 0.653 1.721 1.00 0.00 C ATOM 1658 CG LEU B 151 9.608 -0.539 2.694 1.00 0.00 C ATOM 1659 CD1 LEU B 151 11.025 -1.092 2.868 1.00 0.00 C ATOM 1660 CD2 LEU B 151 9.042 -0.196 4.067 1.00 0.00 C ATOM 0 H LEU B 151 8.256 2.559 2.552 1.00 0.00 H new ATOM 0 HA LEU B 151 10.937 1.718 3.042 1.00 0.00 H new ATOM 0 HB2 LEU B 151 8.561 0.865 1.450 1.00 0.00 H new ATOM 0 HB3 LEU B 151 10.110 0.357 0.807 1.00 0.00 H new ATOM 0 HG LEU B 151 8.963 -1.293 2.243 1.00 0.00 H new ATOM 0 HD11 LEU B 151 11.005 -1.933 3.561 1.00 0.00 H new ATOM 0 HD12 LEU B 151 11.406 -1.426 1.903 1.00 0.00 H new ATOM 0 HD13 LEU B 151 11.674 -0.311 3.264 1.00 0.00 H new ATOM 0 HD21 LEU B 151 9.079 -1.078 4.706 1.00 0.00 H new ATOM 0 HD22 LEU B 151 9.633 0.602 4.515 1.00 0.00 H new ATOM 0 HD23 LEU B 151 8.008 0.133 3.962 1.00 0.00 H new ATOM 1672 N LYS B 152 10.428 3.413 0.243 1.00 0.00 N ATOM 1673 CA LYS B 152 11.148 4.194 -0.785 1.00 0.00 C ATOM 1674 C LYS B 152 12.088 5.233 -0.160 1.00 0.00 C ATOM 1675 O LYS B 152 13.235 5.359 -0.602 1.00 0.00 O ATOM 1676 CB LYS B 152 10.137 4.843 -1.753 1.00 0.00 C ATOM 1677 CG LYS B 152 9.526 3.817 -2.717 1.00 0.00 C ATOM 1678 CD LYS B 152 8.628 4.498 -3.758 1.00 0.00 C ATOM 1679 CE LYS B 152 8.091 3.470 -4.764 1.00 0.00 C ATOM 1680 NZ LYS B 152 7.572 4.129 -5.984 1.00 0.00 N1+ ATOM 0 H LYS B 152 9.414 3.521 0.209 1.00 0.00 H new ATOM 0 HA LYS B 152 11.781 3.513 -1.353 1.00 0.00 H new ATOM 0 HB2 LYS B 152 9.342 5.321 -1.181 1.00 0.00 H new ATOM 0 HB3 LYS B 152 10.634 5.627 -2.325 1.00 0.00 H new ATOM 0 HG2 LYS B 152 10.322 3.270 -3.222 1.00 0.00 H new ATOM 0 HG3 LYS B 152 8.945 3.087 -2.154 1.00 0.00 H new ATOM 0 HD2 LYS B 152 7.796 4.995 -3.259 1.00 0.00 H new ATOM 0 HD3 LYS B 152 9.191 5.269 -4.283 1.00 0.00 H new ATOM 0 HE2 LYS B 152 8.885 2.774 -5.034 1.00 0.00 H new ATOM 0 HE3 LYS B 152 7.298 2.884 -4.300 1.00 0.00 H new ATOM 0 HZ1 LYS B 152 6.710 3.642 -6.302 1.00 0.00 H new ATOM 0 HZ2 LYS B 152 7.350 5.123 -5.774 1.00 0.00 H new ATOM 0 HZ3 LYS B 152 8.291 4.086 -6.734 1.00 0.00 H new ATOM 1694 N ALA B 153 11.652 5.913 0.902 1.00 0.00 N ATOM 1695 CA ALA B 153 12.486 6.839 1.668 1.00 0.00 C ATOM 1696 C ALA B 153 13.634 6.123 2.405 1.00 0.00 C ATOM 1697 O ALA B 153 14.784 6.566 2.338 1.00 0.00 O ATOM 1698 CB ALA B 153 11.582 7.612 2.642 1.00 0.00 C ATOM 0 H ALA B 153 10.699 5.835 1.258 1.00 0.00 H new ATOM 0 HA ALA B 153 12.969 7.534 0.981 1.00 0.00 H new ATOM 0 HB1 ALA B 153 12.186 8.309 3.223 1.00 0.00 H new ATOM 0 HB2 ALA B 153 10.830 8.165 2.079 1.00 0.00 H new ATOM 0 HB3 ALA B 153 11.088 6.911 3.315 1.00 0.00 H new ATOM 1704 N ALA B 154 13.362 4.985 3.056 1.00 0.00 N ATOM 1705 CA ALA B 154 14.360 4.214 3.803 1.00 0.00 C ATOM 1706 C ALA B 154 15.459 3.637 2.892 1.00 0.00 C ATOM 1707 O ALA B 154 16.643 3.749 3.223 1.00 0.00 O ATOM 1708 CB ALA B 154 13.648 3.103 4.588 1.00 0.00 C ATOM 0 H ALA B 154 12.431 4.570 3.078 1.00 0.00 H new ATOM 0 HA ALA B 154 14.866 4.886 4.496 1.00 0.00 H new ATOM 0 HB1 ALA B 154 14.383 2.524 5.147 1.00 0.00 H new ATOM 0 HB2 ALA B 154 12.933 3.548 5.281 1.00 0.00 H new ATOM 0 HB3 ALA B 154 13.121 2.448 3.894 1.00 0.00 H new ATOM 1714 N ASN B 155 15.086 3.061 1.745 1.00 0.00 N ATOM 1715 CA ASN B 155 16.012 2.501 0.751 1.00 0.00 C ATOM 1716 C ASN B 155 16.979 3.578 0.209 1.00 0.00 C ATOM 1717 O ASN B 155 18.184 3.336 0.098 1.00 0.00 O ATOM 1718 CB ASN B 155 15.165 1.844 -0.358 1.00 0.00 C ATOM 1719 CG ASN B 155 15.993 1.041 -1.357 1.00 0.00 C ATOM 1720 OD1 ASN B 155 16.853 1.557 -2.055 1.00 0.00 O ATOM 1721 ND2 ASN B 155 15.738 -0.243 -1.490 1.00 0.00 N ATOM 0 H ASN B 155 14.107 2.968 1.474 1.00 0.00 H new ATOM 0 HA ASN B 155 16.653 1.746 1.206 1.00 0.00 H new ATOM 0 HB2 ASN B 155 14.426 1.187 0.101 1.00 0.00 H new ATOM 0 HB3 ASN B 155 14.615 2.619 -0.893 1.00 0.00 H new ATOM 0 HD21 ASN B 155 16.256 -0.798 -2.171 1.00 0.00 H new ATOM 0 HD22 ASN B 155 15.022 -0.683 -0.912 1.00 0.00 H new ATOM 1728 N GLN B 156 16.474 4.790 -0.046 1.00 0.00 N ATOM 1729 CA GLN B 156 17.299 5.936 -0.441 1.00 0.00 C ATOM 1730 C GLN B 156 18.251 6.383 0.682 1.00 0.00 C ATOM 1731 O GLN B 156 19.448 6.553 0.449 1.00 0.00 O ATOM 1732 CB GLN B 156 16.382 7.077 -0.923 1.00 0.00 C ATOM 1733 CG GLN B 156 17.076 8.428 -1.205 1.00 0.00 C ATOM 1734 CD GLN B 156 18.129 8.426 -2.324 1.00 0.00 C ATOM 1735 OE1 GLN B 156 18.402 7.438 -2.998 1.00 0.00 O ATOM 1736 NE2 GLN B 156 18.779 9.551 -2.563 1.00 0.00 N ATOM 0 H GLN B 156 15.479 5.004 0.016 1.00 0.00 H new ATOM 0 HA GLN B 156 17.946 5.637 -1.265 1.00 0.00 H new ATOM 0 HB2 GLN B 156 15.879 6.752 -1.834 1.00 0.00 H new ATOM 0 HB3 GLN B 156 15.609 7.238 -0.172 1.00 0.00 H new ATOM 0 HG2 GLN B 156 16.310 9.162 -1.456 1.00 0.00 H new ATOM 0 HG3 GLN B 156 17.553 8.767 -0.286 1.00 0.00 H new ATOM 0 HE21 GLN B 156 18.570 10.387 -2.016 1.00 0.00 H new ATOM 0 HE22 GLN B 156 19.489 9.584 -3.294 1.00 0.00 H new