USER MOD reduce.3.24.130724 H: found=0, std=0, add=715, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 717 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 96 GLN : amide:sc= -1.28! K(o=-2.2!,f=-4.6) USER MOD Set 1.2: A 106 SER OG : rot -150:sc= -0.899! USER MOD Set 2.1: A 90 GLN : amide:sc= -0.58 K(o=-4.7,f=-7.4!) USER MOD Set 2.2: A 111 ASN : amide:sc= -4.14 K(o=-4.7,f=-12!) USER MOD Set 3.1: A 33 GLN :FLIP amide:sc= -0.243 F(o=-2.1,f=-0.61) USER MOD Set 3.2: A 81 THR OG1 : rot 153:sc= -0.368! USER MOD Set 4.1: A 28 THR OG1 : rot -136:sc= -1.94! USER MOD Set 4.2: A 31 SER OG : rot -64:sc= -0.21 USER MOD Set 5.1: A 20 MET CE :methyl 179:sc= -2.72 (180deg=-0.828) USER MOD Set 5.2: A 40 LYS NZ :NH3+ 151:sc= -1.78 (180deg=-0.00869) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 GLN : amide:sc= -0.0188 X(o=-0.019,f=-0.038) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 30 GLN : amide:sc= -0.427 X(o=-0.43,f=-0.2) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0.0536 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 GLN : amide:sc= -1.3 K(o=-1.3,f=-4.6!) USER MOD Single : A 45 ASN :FLIP amide:sc= -1.06 F(o=-1.6!,f=-1.1) USER MOD Single : A 51 TYR OH : rot 100:sc= -1.42 USER MOD Single : A 52 GLN : amide:sc= -4.11! C(o=-4.1!,f=-4.7!) USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 71 MET CE :methyl -106:sc= -1.87 (180deg=-5.73!) USER MOD Single : A 72 LYS NZ :NH3+ -141:sc= -0.472 (180deg=-1.92!) USER MOD Single : A 74 THR OG1 : rot 135:sc= -0.716 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 80 TYR OH : rot 180:sc= -0.945 USER MOD Single : A 84 ASN : amide:sc= -0.0236 K(o=-0.024,f=-0.84) USER MOD Single : A 86 LYS NZ :NH3+ -147:sc= -0.105 (180deg=-0.876) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 TYR OH : rot 177:sc= -0.445 USER MOD Single : A 99 ASN : amide:sc= -4.78! C(o=-4.8!,f=-11!) USER MOD Single : A 103 THR OG1 : rot 180:sc= -0.207 USER MOD Single : A 107 SER OG : rot 89:sc= -5.35! USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD Single : A 113 THR OG1 : rot 180:sc= 0.0622 USER MOD Single : A 114 THR OG1 : rot 172:sc= 0.281 USER MOD ----------------------------------------------------------------- ATOM 150 N ALA A 14 12.211 11.678 -3.740 1.00 0.00 N ATOM 151 CA ALA A 14 11.012 10.857 -3.733 1.00 0.00 C ATOM 152 C ALA A 14 11.181 9.706 -4.727 1.00 0.00 C ATOM 153 O ALA A 14 12.033 9.766 -5.613 1.00 0.00 O ATOM 154 CB ALA A 14 9.795 11.728 -4.052 1.00 0.00 C ATOM 0 HA ALA A 14 10.852 10.421 -2.747 1.00 0.00 H new ATOM 0 HB1 ALA A 14 8.896 11.112 -4.047 1.00 0.00 H new ATOM 0 HB2 ALA A 14 9.702 12.512 -3.301 1.00 0.00 H new ATOM 0 HB3 ALA A 14 9.919 12.181 -5.036 1.00 0.00 H new ATOM 160 N PRO A 15 10.335 8.658 -4.543 1.00 0.00 N ATOM 161 CA PRO A 15 10.383 7.495 -5.413 1.00 0.00 C ATOM 162 C PRO A 15 9.759 7.804 -6.776 1.00 0.00 C ATOM 163 O PRO A 15 8.698 8.422 -6.851 1.00 0.00 O ATOM 164 CB PRO A 15 9.643 6.405 -4.654 1.00 0.00 C ATOM 165 CG PRO A 15 8.811 7.121 -3.603 1.00 0.00 C ATOM 166 CD PRO A 15 9.313 8.552 -3.505 1.00 0.00 C ATOM 0 HA PRO A 15 11.402 7.182 -5.641 1.00 0.00 H new ATOM 0 HB2 PRO A 15 9.010 5.824 -5.324 1.00 0.00 H new ATOM 0 HB3 PRO A 15 10.342 5.708 -4.191 1.00 0.00 H new ATOM 0 HG2 PRO A 15 7.756 7.105 -3.876 1.00 0.00 H new ATOM 0 HG3 PRO A 15 8.899 6.619 -2.640 1.00 0.00 H new ATOM 0 HD2 PRO A 15 8.506 9.267 -3.669 1.00 0.00 H new ATOM 0 HD3 PRO A 15 9.727 8.760 -2.518 1.00 0.00 H new ATOM 174 N ASP A 16 10.444 7.359 -7.819 1.00 0.00 N ATOM 175 CA ASP A 16 9.971 7.580 -9.175 1.00 0.00 C ATOM 176 C ASP A 16 9.489 6.253 -9.765 1.00 0.00 C ATOM 177 O ASP A 16 10.019 5.789 -10.773 1.00 0.00 O ATOM 178 CB ASP A 16 11.091 8.116 -10.069 1.00 0.00 C ATOM 179 CG ASP A 16 11.249 9.638 -10.065 1.00 0.00 C ATOM 180 OD1 ASP A 16 11.069 10.224 -8.976 1.00 0.00 O ATOM 181 OD2 ASP A 16 11.546 10.180 -11.151 1.00 0.00 O ATOM 0 H ASP A 16 11.323 6.846 -7.752 1.00 0.00 H new ATOM 0 HA ASP A 16 9.162 8.309 -9.135 1.00 0.00 H new ATOM 0 HB2 ASP A 16 12.033 7.667 -9.754 1.00 0.00 H new ATOM 0 HB3 ASP A 16 10.908 7.787 -11.092 1.00 0.00 H new ATOM 186 N GLY A 17 8.490 5.679 -9.111 1.00 0.00 N ATOM 187 CA GLY A 17 7.930 4.415 -9.558 1.00 0.00 C ATOM 188 C GLY A 17 7.285 3.659 -8.395 1.00 0.00 C ATOM 189 O GLY A 17 7.798 3.677 -7.277 1.00 0.00 O ATOM 0 H GLY A 17 8.054 6.066 -8.274 1.00 0.00 H new ATOM 0 HA2 GLY A 17 7.187 4.597 -10.335 1.00 0.00 H new ATOM 0 HA3 GLY A 17 8.714 3.803 -10.004 1.00 0.00 H new ATOM 193 N PRO A 18 6.140 2.995 -8.706 1.00 0.00 N ATOM 194 CA PRO A 18 5.419 2.234 -7.700 1.00 0.00 C ATOM 195 C PRO A 18 6.138 0.919 -7.387 1.00 0.00 C ATOM 196 O PRO A 18 7.111 0.567 -8.051 1.00 0.00 O ATOM 197 CB PRO A 18 4.031 2.027 -8.282 1.00 0.00 C ATOM 198 CG PRO A 18 4.165 2.273 -9.776 1.00 0.00 C ATOM 199 CD PRO A 18 5.503 2.950 -10.019 1.00 0.00 C ATOM 0 HA PRO A 18 5.362 2.752 -6.743 1.00 0.00 H new ATOM 0 HB2 PRO A 18 3.671 1.018 -8.083 1.00 0.00 H new ATOM 0 HB3 PRO A 18 3.314 2.715 -7.836 1.00 0.00 H new ATOM 0 HG2 PRO A 18 4.108 1.333 -10.324 1.00 0.00 H new ATOM 0 HG3 PRO A 18 3.349 2.901 -10.134 1.00 0.00 H new ATOM 0 HD2 PRO A 18 6.107 2.389 -10.733 1.00 0.00 H new ATOM 0 HD3 PRO A 18 5.371 3.951 -10.430 1.00 0.00 H new ATOM 207 N PRO A 19 5.616 0.212 -6.350 1.00 0.00 N ATOM 208 CA PRO A 19 6.197 -1.056 -5.941 1.00 0.00 C ATOM 209 C PRO A 19 5.834 -2.168 -6.927 1.00 0.00 C ATOM 210 O PRO A 19 4.852 -2.058 -7.659 1.00 0.00 O ATOM 211 CB PRO A 19 5.657 -1.303 -4.542 1.00 0.00 C ATOM 212 CG PRO A 19 4.437 -0.408 -4.402 1.00 0.00 C ATOM 213 CD PRO A 19 4.463 0.598 -5.541 1.00 0.00 C ATOM 0 HA PRO A 19 7.287 -1.037 -5.935 1.00 0.00 H new ATOM 0 HB2 PRO A 19 5.390 -2.351 -4.406 1.00 0.00 H new ATOM 0 HB3 PRO A 19 6.406 -1.064 -3.787 1.00 0.00 H new ATOM 0 HG2 PRO A 19 3.523 -1.001 -4.437 1.00 0.00 H new ATOM 0 HG3 PRO A 19 4.448 0.104 -3.440 1.00 0.00 H new ATOM 0 HD2 PRO A 19 3.542 0.562 -6.122 1.00 0.00 H new ATOM 0 HD3 PRO A 19 4.565 1.617 -5.167 1.00 0.00 H new ATOM 221 N MET A 20 6.647 -3.214 -6.915 1.00 0.00 N ATOM 222 CA MET A 20 6.425 -4.346 -7.799 1.00 0.00 C ATOM 223 C MET A 20 5.719 -5.486 -7.063 1.00 0.00 C ATOM 224 O MET A 20 5.442 -5.382 -5.869 1.00 0.00 O ATOM 225 CB MET A 20 7.766 -4.842 -8.342 1.00 0.00 C ATOM 226 CG MET A 20 8.553 -3.699 -8.987 1.00 0.00 C ATOM 227 SD MET A 20 9.930 -4.353 -9.915 1.00 0.00 S ATOM 228 CE MET A 20 9.134 -4.648 -11.485 1.00 0.00 C ATOM 0 H MET A 20 7.461 -3.302 -6.307 1.00 0.00 H new ATOM 0 HA MET A 20 5.789 -4.020 -8.622 1.00 0.00 H new ATOM 0 HB2 MET A 20 8.351 -5.280 -7.533 1.00 0.00 H new ATOM 0 HB3 MET A 20 7.596 -5.631 -9.075 1.00 0.00 H new ATOM 0 HG2 MET A 20 7.901 -3.124 -9.645 1.00 0.00 H new ATOM 0 HG3 MET A 20 8.914 -3.016 -8.218 1.00 0.00 H new ATOM 0 HE1 MET A 20 9.862 -5.044 -12.193 1.00 0.00 H new ATOM 0 HE2 MET A 20 8.326 -5.368 -11.354 1.00 0.00 H new ATOM 0 HE3 MET A 20 8.727 -3.712 -11.868 1.00 0.00 H new ATOM 238 N ASP A 21 5.447 -6.549 -7.806 1.00 0.00 N ATOM 239 CA ASP A 21 4.779 -7.708 -7.239 1.00 0.00 C ATOM 240 C ASP A 21 3.522 -7.253 -6.495 1.00 0.00 C ATOM 241 O ASP A 21 3.090 -7.902 -5.543 1.00 0.00 O ATOM 242 CB ASP A 21 5.684 -8.431 -6.239 1.00 0.00 C ATOM 243 CG ASP A 21 5.436 -9.936 -6.114 1.00 0.00 C ATOM 244 OD1 ASP A 21 5.620 -10.628 -7.139 1.00 0.00 O ATOM 245 OD2 ASP A 21 5.069 -10.360 -4.997 1.00 0.00 O ATOM 0 H ASP A 21 5.677 -6.632 -8.796 1.00 0.00 H new ATOM 0 HA ASP A 21 4.529 -8.386 -8.055 1.00 0.00 H new ATOM 0 HB2 ASP A 21 6.722 -8.272 -6.530 1.00 0.00 H new ATOM 0 HB3 ASP A 21 5.555 -7.974 -5.258 1.00 0.00 H new ATOM 250 N VAL A 22 2.969 -6.140 -6.957 1.00 0.00 N ATOM 251 CA VAL A 22 1.770 -5.591 -6.347 1.00 0.00 C ATOM 252 C VAL A 22 0.573 -6.475 -6.701 1.00 0.00 C ATOM 253 O VAL A 22 0.151 -6.522 -7.855 1.00 0.00 O ATOM 254 CB VAL A 22 1.585 -4.134 -6.777 1.00 0.00 C ATOM 255 CG1 VAL A 22 0.392 -3.499 -6.061 1.00 0.00 C ATOM 256 CG2 VAL A 22 2.862 -3.326 -6.537 1.00 0.00 C ATOM 0 H VAL A 22 3.330 -5.604 -7.746 1.00 0.00 H new ATOM 0 HA VAL A 22 1.861 -5.587 -5.261 1.00 0.00 H new ATOM 0 HB VAL A 22 1.378 -4.124 -7.847 1.00 0.00 H new ATOM 0 HG11 VAL A 22 0.283 -2.464 -6.384 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -0.515 -4.053 -6.304 1.00 0.00 H new ATOM 0 HG13 VAL A 22 0.557 -3.527 -4.984 1.00 0.00 H new ATOM 0 HG21 VAL A 22 2.704 -2.294 -6.851 1.00 0.00 H new ATOM 0 HG22 VAL A 22 3.113 -3.348 -5.476 1.00 0.00 H new ATOM 0 HG23 VAL A 22 3.680 -3.759 -7.112 1.00 0.00 H new ATOM 266 N THR A 23 0.059 -7.154 -5.685 1.00 0.00 N ATOM 267 CA THR A 23 -1.082 -8.033 -5.875 1.00 0.00 C ATOM 268 C THR A 23 -1.868 -8.176 -4.570 1.00 0.00 C ATOM 269 O THR A 23 -1.303 -8.054 -3.484 1.00 0.00 O ATOM 270 CB THR A 23 -0.566 -9.366 -6.421 1.00 0.00 C ATOM 271 OG1 THR A 23 -1.691 -9.924 -7.095 1.00 0.00 O ATOM 272 CG2 THR A 23 -0.258 -10.374 -5.312 1.00 0.00 C ATOM 0 H THR A 23 0.412 -7.113 -4.729 1.00 0.00 H new ATOM 0 HA THR A 23 -1.784 -7.618 -6.598 1.00 0.00 H new ATOM 0 HB THR A 23 0.333 -9.192 -7.012 1.00 0.00 H new ATOM 0 HG1 THR A 23 -1.444 -10.790 -7.481 1.00 0.00 H new ATOM 0 HG21 THR A 23 0.105 -11.302 -5.754 1.00 0.00 H new ATOM 0 HG22 THR A 23 0.505 -9.965 -4.650 1.00 0.00 H new ATOM 0 HG23 THR A 23 -1.164 -10.574 -4.740 1.00 0.00 H new ATOM 280 N LEU A 24 -3.159 -8.432 -4.719 1.00 0.00 N ATOM 281 CA LEU A 24 -4.029 -8.592 -3.566 1.00 0.00 C ATOM 282 C LEU A 24 -4.385 -10.071 -3.402 1.00 0.00 C ATOM 283 O LEU A 24 -4.200 -10.863 -4.325 1.00 0.00 O ATOM 284 CB LEU A 24 -5.248 -7.675 -3.683 1.00 0.00 C ATOM 285 CG LEU A 24 -4.953 -6.195 -3.933 1.00 0.00 C ATOM 286 CD1 LEU A 24 -6.244 -5.413 -4.180 1.00 0.00 C ATOM 287 CD2 LEU A 24 -4.131 -5.598 -2.789 1.00 0.00 C ATOM 0 H LEU A 24 -3.624 -8.533 -5.621 1.00 0.00 H new ATOM 0 HA LEU A 24 -3.515 -8.285 -2.655 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -5.877 -8.042 -4.494 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -5.830 -7.759 -2.765 1.00 0.00 H new ATOM 0 HG LEU A 24 -4.350 -6.115 -4.838 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -6.006 -4.364 -4.355 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -6.754 -5.820 -5.053 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -6.893 -5.497 -3.308 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -3.935 -4.545 -2.992 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -4.686 -5.690 -1.855 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -3.185 -6.133 -2.703 1.00 0.00 H new ATOM 299 N GLN A 25 -4.888 -10.398 -2.221 1.00 0.00 N ATOM 300 CA GLN A 25 -5.271 -11.768 -1.925 1.00 0.00 C ATOM 301 C GLN A 25 -6.114 -11.819 -0.649 1.00 0.00 C ATOM 302 O GLN A 25 -5.642 -11.452 0.426 1.00 0.00 O ATOM 303 CB GLN A 25 -4.040 -12.668 -1.805 1.00 0.00 C ATOM 304 CG GLN A 25 -4.365 -14.102 -2.231 1.00 0.00 C ATOM 305 CD GLN A 25 -3.254 -14.679 -3.110 1.00 0.00 C ATOM 306 OE1 GLN A 25 -2.918 -14.151 -4.157 1.00 0.00 O ATOM 307 NE2 GLN A 25 -2.703 -15.789 -2.627 1.00 0.00 N ATOM 0 H GLN A 25 -5.039 -9.738 -1.458 1.00 0.00 H new ATOM 0 HA GLN A 25 -5.875 -12.143 -2.752 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -3.235 -12.274 -2.426 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -3.680 -12.663 -0.776 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -4.496 -14.727 -1.347 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -5.309 -14.118 -2.775 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -3.032 -16.179 -1.744 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -1.952 -16.250 -3.140 1.00 0.00 H new ATOM 316 N PRO A 26 -7.379 -12.290 -0.814 1.00 0.00 N ATOM 317 CA PRO A 26 -8.292 -12.394 0.312 1.00 0.00 C ATOM 318 C PRO A 26 -7.929 -13.583 1.204 1.00 0.00 C ATOM 319 O PRO A 26 -8.115 -14.735 0.815 1.00 0.00 O ATOM 320 CB PRO A 26 -9.673 -12.519 -0.312 1.00 0.00 C ATOM 321 CG PRO A 26 -9.443 -12.946 -1.752 1.00 0.00 C ATOM 322 CD PRO A 26 -7.972 -12.734 -2.072 1.00 0.00 C ATOM 0 HA PRO A 26 -8.245 -11.529 0.973 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -10.277 -13.253 0.221 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -10.209 -11.571 -0.267 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -9.716 -13.992 -1.888 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -10.069 -12.363 -2.428 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -7.507 -13.654 -2.426 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -7.841 -11.989 -2.856 1.00 0.00 H new ATOM 330 N VAL A 27 -7.418 -13.263 2.383 1.00 0.00 N ATOM 331 CA VAL A 27 -7.027 -14.290 3.333 1.00 0.00 C ATOM 332 C VAL A 27 -8.207 -14.599 4.258 1.00 0.00 C ATOM 333 O VAL A 27 -8.383 -15.738 4.685 1.00 0.00 O ATOM 334 CB VAL A 27 -5.773 -13.852 4.091 1.00 0.00 C ATOM 335 CG1 VAL A 27 -4.517 -14.071 3.246 1.00 0.00 C ATOM 336 CG2 VAL A 27 -5.884 -12.394 4.540 1.00 0.00 C ATOM 0 H VAL A 27 -7.266 -12.306 2.702 1.00 0.00 H new ATOM 0 HA VAL A 27 -6.770 -15.213 2.813 1.00 0.00 H new ATOM 0 HB VAL A 27 -5.689 -14.472 4.984 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -3.640 -13.751 3.808 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -4.424 -15.129 2.999 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -4.591 -13.489 2.327 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -4.979 -12.109 5.076 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -6.006 -11.753 3.667 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -6.746 -12.280 5.197 1.00 0.00 H new ATOM 346 N THR A 28 -8.984 -13.563 4.539 1.00 0.00 N ATOM 347 CA THR A 28 -10.142 -13.709 5.405 1.00 0.00 C ATOM 348 C THR A 28 -11.405 -13.221 4.693 1.00 0.00 C ATOM 349 O THR A 28 -11.389 -12.984 3.486 1.00 0.00 O ATOM 350 CB THR A 28 -9.853 -12.965 6.710 1.00 0.00 C ATOM 351 OG1 THR A 28 -9.079 -11.839 6.304 1.00 0.00 O ATOM 352 CG2 THR A 28 -8.918 -13.746 7.635 1.00 0.00 C ATOM 0 H THR A 28 -8.834 -12.619 4.182 1.00 0.00 H new ATOM 0 HA THR A 28 -10.327 -14.756 5.646 1.00 0.00 H new ATOM 0 HB THR A 28 -10.791 -12.764 7.228 1.00 0.00 H new ATOM 0 HG1 THR A 28 -8.330 -11.717 6.924 1.00 0.00 H new ATOM 0 HG21 THR A 28 -8.746 -13.173 8.546 1.00 0.00 H new ATOM 0 HG22 THR A 28 -9.373 -14.703 7.889 1.00 0.00 H new ATOM 0 HG23 THR A 28 -7.968 -13.919 7.130 1.00 0.00 H new ATOM 360 N SER A 29 -12.469 -13.084 5.471 1.00 0.00 N ATOM 361 CA SER A 29 -13.738 -12.628 4.930 1.00 0.00 C ATOM 362 C SER A 29 -13.931 -11.141 5.233 1.00 0.00 C ATOM 363 O SER A 29 -14.961 -10.563 4.888 1.00 0.00 O ATOM 364 CB SER A 29 -14.903 -13.442 5.498 1.00 0.00 C ATOM 365 OG SER A 29 -14.905 -13.447 6.923 1.00 0.00 O ATOM 0 H SER A 29 -12.478 -13.281 6.472 1.00 0.00 H new ATOM 0 HA SER A 29 -13.722 -12.773 3.850 1.00 0.00 H new ATOM 0 HB2 SER A 29 -15.845 -13.029 5.135 1.00 0.00 H new ATOM 0 HB3 SER A 29 -14.842 -14.467 5.132 1.00 0.00 H new ATOM 0 HG SER A 29 -15.664 -13.975 7.247 1.00 0.00 H new ATOM 371 N GLN A 30 -12.925 -10.564 5.873 1.00 0.00 N ATOM 372 CA GLN A 30 -12.972 -9.156 6.226 1.00 0.00 C ATOM 373 C GLN A 30 -11.568 -8.549 6.175 1.00 0.00 C ATOM 374 O GLN A 30 -11.286 -7.570 6.865 1.00 0.00 O ATOM 375 CB GLN A 30 -13.606 -8.956 7.604 1.00 0.00 C ATOM 376 CG GLN A 30 -15.110 -9.233 7.561 1.00 0.00 C ATOM 377 CD GLN A 30 -15.731 -9.106 8.953 1.00 0.00 C ATOM 378 OE1 GLN A 30 -15.965 -8.022 9.461 1.00 0.00 O ATOM 379 NE2 GLN A 30 -15.984 -10.273 9.540 1.00 0.00 N ATOM 0 H GLN A 30 -12.072 -11.046 6.156 1.00 0.00 H new ATOM 0 HA GLN A 30 -13.597 -8.640 5.497 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -13.131 -9.620 8.327 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -13.430 -7.936 7.945 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -15.593 -8.534 6.878 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -15.288 -10.235 7.170 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -15.763 -11.145 9.058 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -16.399 -10.296 10.472 1.00 0.00 H new ATOM 388 N SER A 31 -10.725 -9.156 5.352 1.00 0.00 N ATOM 389 CA SER A 31 -9.358 -8.687 5.203 1.00 0.00 C ATOM 390 C SER A 31 -8.817 -9.083 3.828 1.00 0.00 C ATOM 391 O SER A 31 -9.435 -9.875 3.118 1.00 0.00 O ATOM 392 CB SER A 31 -8.460 -9.247 6.308 1.00 0.00 C ATOM 393 OG SER A 31 -7.466 -10.128 5.793 1.00 0.00 O ATOM 0 H SER A 31 -10.962 -9.968 4.782 1.00 0.00 H new ATOM 0 HA SER A 31 -9.358 -7.600 5.288 1.00 0.00 H new ATOM 0 HB2 SER A 31 -7.977 -8.424 6.835 1.00 0.00 H new ATOM 0 HB3 SER A 31 -9.071 -9.777 7.038 1.00 0.00 H new ATOM 0 HG SER A 31 -7.899 -10.911 5.393 1.00 0.00 H new ATOM 399 N ILE A 32 -7.668 -8.514 3.493 1.00 0.00 N ATOM 400 CA ILE A 32 -7.037 -8.798 2.215 1.00 0.00 C ATOM 401 C ILE A 32 -5.523 -8.615 2.347 1.00 0.00 C ATOM 402 O ILE A 32 -5.062 -7.650 2.956 1.00 0.00 O ATOM 403 CB ILE A 32 -7.664 -7.950 1.107 1.00 0.00 C ATOM 404 CG1 ILE A 32 -9.151 -8.275 0.944 1.00 0.00 C ATOM 405 CG2 ILE A 32 -6.896 -8.107 -0.206 1.00 0.00 C ATOM 406 CD1 ILE A 32 -9.767 -7.464 -0.198 1.00 0.00 C ATOM 0 H ILE A 32 -7.158 -7.858 4.084 1.00 0.00 H new ATOM 0 HA ILE A 32 -7.210 -9.835 1.927 1.00 0.00 H new ATOM 0 HB ILE A 32 -7.593 -6.902 1.397 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -9.275 -9.340 0.747 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -9.678 -8.060 1.873 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -7.363 -7.493 -0.976 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -5.864 -7.787 -0.064 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -6.913 -9.152 -0.515 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -10.824 -7.714 -0.293 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -9.663 -6.400 0.014 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -9.254 -7.700 -1.130 1.00 0.00 H new ATOM 418 N GLN A 33 -4.793 -9.555 1.767 1.00 0.00 N ATOM 419 CA GLN A 33 -3.341 -9.510 1.812 1.00 0.00 C ATOM 420 C GLN A 33 -2.797 -8.726 0.616 1.00 0.00 C ATOM 421 O GLN A 33 -3.212 -8.952 -0.519 1.00 0.00 O ATOM 422 CB GLN A 33 -2.749 -10.920 1.859 1.00 0.00 C ATOM 423 CG GLN A 33 -1.220 -10.874 1.828 1.00 0.00 C ATOM 424 CD GLN A 33 -0.632 -11.301 3.174 1.00 0.00 C ATOM 425 OE1 GLN A 33 0.443 -12.077 3.073 1.00 0.00 O flip ATOM 426 NE2 GLN A 33 -1.121 -10.948 4.235 1.00 0.00 N flip ATOM 0 H GLN A 33 -5.179 -10.353 1.263 1.00 0.00 H new ATOM 0 HA GLN A 33 -3.041 -8.996 2.725 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -3.083 -11.428 2.764 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -3.116 -11.501 1.013 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -0.849 -11.530 1.040 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -0.888 -9.865 1.586 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -1.948 -10.351 4.242 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -0.703 -11.250 5.115 1.00 0.00 H new ATOM 435 N VAL A 34 -1.877 -7.819 0.912 1.00 0.00 N ATOM 436 CA VAL A 34 -1.272 -7.001 -0.124 1.00 0.00 C ATOM 437 C VAL A 34 0.248 -7.163 -0.074 1.00 0.00 C ATOM 438 O VAL A 34 0.906 -6.614 0.809 1.00 0.00 O ATOM 439 CB VAL A 34 -1.723 -5.547 0.027 1.00 0.00 C ATOM 440 CG1 VAL A 34 -1.037 -4.649 -1.004 1.00 0.00 C ATOM 441 CG2 VAL A 34 -3.246 -5.432 -0.073 1.00 0.00 C ATOM 0 H VAL A 34 -1.536 -7.633 1.855 1.00 0.00 H new ATOM 0 HA VAL A 34 -1.601 -7.329 -1.110 1.00 0.00 H new ATOM 0 HB VAL A 34 -1.425 -5.206 1.018 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -1.376 -3.621 -0.874 1.00 0.00 H new ATOM 0 HG12 VAL A 34 0.043 -4.695 -0.865 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -1.289 -4.990 -2.008 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -3.540 -4.388 0.038 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -3.576 -5.801 -1.044 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -3.708 -6.025 0.716 1.00 0.00 H new ATOM 451 N THR A 35 0.763 -7.919 -1.033 1.00 0.00 N ATOM 452 CA THR A 35 2.194 -8.161 -1.109 1.00 0.00 C ATOM 453 C THR A 35 2.793 -7.438 -2.317 1.00 0.00 C ATOM 454 O THR A 35 2.185 -7.399 -3.386 1.00 0.00 O ATOM 455 CB THR A 35 2.417 -9.674 -1.134 1.00 0.00 C ATOM 456 OG1 THR A 35 1.313 -10.176 -1.883 1.00 0.00 O ATOM 457 CG2 THR A 35 2.252 -10.313 0.247 1.00 0.00 C ATOM 0 H THR A 35 0.215 -8.372 -1.764 1.00 0.00 H new ATOM 0 HA THR A 35 2.711 -7.757 -0.239 1.00 0.00 H new ATOM 0 HB THR A 35 3.415 -9.887 -1.516 1.00 0.00 H new ATOM 0 HG1 THR A 35 1.379 -11.151 -1.950 1.00 0.00 H new ATOM 0 HG21 THR A 35 2.421 -11.387 0.173 1.00 0.00 H new ATOM 0 HG22 THR A 35 2.975 -9.879 0.938 1.00 0.00 H new ATOM 0 HG23 THR A 35 1.243 -10.129 0.615 1.00 0.00 H new ATOM 465 N TRP A 36 3.978 -6.884 -2.107 1.00 0.00 N ATOM 466 CA TRP A 36 4.666 -6.165 -3.166 1.00 0.00 C ATOM 467 C TRP A 36 6.171 -6.289 -2.921 1.00 0.00 C ATOM 468 O TRP A 36 6.597 -6.671 -1.832 1.00 0.00 O ATOM 469 CB TRP A 36 4.191 -4.712 -3.240 1.00 0.00 C ATOM 470 CG TRP A 36 4.574 -3.869 -2.023 1.00 0.00 C ATOM 471 CD1 TRP A 36 5.724 -3.218 -1.799 1.00 0.00 C ATOM 472 CD2 TRP A 36 3.754 -3.609 -0.864 1.00 0.00 C ATOM 473 NE1 TRP A 36 5.705 -2.561 -0.585 1.00 0.00 N ATOM 474 CE2 TRP A 36 4.469 -2.806 0.001 1.00 0.00 C ATOM 475 CE3 TRP A 36 2.450 -4.038 -0.558 1.00 0.00 C ATOM 476 CZ2 TRP A 36 3.964 -2.363 1.229 1.00 0.00 C ATOM 477 CZ3 TRP A 36 1.961 -3.586 0.674 1.00 0.00 C ATOM 478 CH2 TRP A 36 2.668 -2.778 1.556 1.00 0.00 C ATOM 0 H TRP A 36 4.479 -6.918 -1.219 1.00 0.00 H new ATOM 0 HA TRP A 36 4.434 -6.598 -4.139 1.00 0.00 H new ATOM 0 HB2 TRP A 36 4.608 -4.250 -4.135 1.00 0.00 H new ATOM 0 HB3 TRP A 36 3.107 -4.700 -3.350 1.00 0.00 H new ATOM 0 HD1 TRP A 36 6.560 -3.209 -2.482 1.00 0.00 H new ATOM 0 HE1 TRP A 36 6.459 -1.999 -0.191 1.00 0.00 H new ATOM 0 HE3 TRP A 36 1.872 -4.666 -1.220 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 4.544 -1.734 1.889 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 0.964 -3.887 0.959 1.00 0.00 H new ATOM 0 HH2 TRP A 36 2.220 -2.472 2.490 1.00 0.00 H new ATOM 489 N LYS A 37 6.935 -5.961 -3.952 1.00 0.00 N ATOM 490 CA LYS A 37 8.383 -6.032 -3.863 1.00 0.00 C ATOM 491 C LYS A 37 8.970 -4.630 -4.043 1.00 0.00 C ATOM 492 O LYS A 37 8.293 -3.728 -4.534 1.00 0.00 O ATOM 493 CB LYS A 37 8.932 -7.060 -4.854 1.00 0.00 C ATOM 494 CG LYS A 37 8.692 -8.486 -4.354 1.00 0.00 C ATOM 495 CD LYS A 37 9.395 -9.507 -5.251 1.00 0.00 C ATOM 496 CE LYS A 37 10.687 -10.008 -4.603 1.00 0.00 C ATOM 497 NZ LYS A 37 11.443 -10.863 -5.546 1.00 0.00 N ATOM 0 H LYS A 37 6.578 -5.645 -4.854 1.00 0.00 H new ATOM 0 HA LYS A 37 8.687 -6.382 -2.876 1.00 0.00 H new ATOM 0 HB2 LYS A 37 8.454 -6.926 -5.825 1.00 0.00 H new ATOM 0 HB3 LYS A 37 10.000 -6.896 -4.999 1.00 0.00 H new ATOM 0 HG2 LYS A 37 9.057 -8.583 -3.331 1.00 0.00 H new ATOM 0 HG3 LYS A 37 7.622 -8.692 -4.332 1.00 0.00 H new ATOM 0 HD2 LYS A 37 8.729 -10.349 -5.441 1.00 0.00 H new ATOM 0 HD3 LYS A 37 9.620 -9.054 -6.217 1.00 0.00 H new ATOM 0 HE2 LYS A 37 11.301 -9.160 -4.300 1.00 0.00 H new ATOM 0 HE3 LYS A 37 10.453 -10.571 -3.700 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 12.317 -11.194 -5.090 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 10.861 -11.682 -5.815 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 11.683 -10.314 -6.396 1.00 0.00 H new ATOM 511 N ALA A 38 10.223 -4.491 -3.636 1.00 0.00 N ATOM 512 CA ALA A 38 10.909 -3.215 -3.747 1.00 0.00 C ATOM 513 C ALA A 38 10.686 -2.641 -5.147 1.00 0.00 C ATOM 514 O ALA A 38 10.775 -3.362 -6.139 1.00 0.00 O ATOM 515 CB ALA A 38 12.392 -3.402 -3.422 1.00 0.00 C ATOM 0 H ALA A 38 10.781 -5.241 -3.229 1.00 0.00 H new ATOM 0 HA ALA A 38 10.507 -2.499 -3.030 1.00 0.00 H new ATOM 0 HB1 ALA A 38 12.906 -2.445 -3.505 1.00 0.00 H new ATOM 0 HB2 ALA A 38 12.497 -3.783 -2.406 1.00 0.00 H new ATOM 0 HB3 ALA A 38 12.831 -4.112 -4.123 1.00 0.00 H new ATOM 521 N PRO A 39 10.394 -1.313 -5.184 1.00 0.00 N ATOM 522 CA PRO A 39 10.158 -0.633 -6.447 1.00 0.00 C ATOM 523 C PRO A 39 11.470 -0.401 -7.198 1.00 0.00 C ATOM 524 O PRO A 39 12.193 0.553 -6.911 1.00 0.00 O ATOM 525 CB PRO A 39 9.451 0.659 -6.072 1.00 0.00 C ATOM 526 CG PRO A 39 9.731 0.874 -4.593 1.00 0.00 C ATOM 527 CD PRO A 39 10.280 -0.427 -4.030 1.00 0.00 C ATOM 0 HA PRO A 39 9.548 -1.220 -7.134 1.00 0.00 H new ATOM 0 HB2 PRO A 39 9.823 1.494 -6.665 1.00 0.00 H new ATOM 0 HB3 PRO A 39 8.380 0.587 -6.260 1.00 0.00 H new ATOM 0 HG2 PRO A 39 10.448 1.683 -4.454 1.00 0.00 H new ATOM 0 HG3 PRO A 39 8.819 1.162 -4.070 1.00 0.00 H new ATOM 0 HD2 PRO A 39 11.247 -0.274 -3.551 1.00 0.00 H new ATOM 0 HD3 PRO A 39 9.613 -0.844 -3.275 1.00 0.00 H new ATOM 535 N LYS A 40 11.738 -1.288 -8.145 1.00 0.00 N ATOM 536 CA LYS A 40 12.951 -1.191 -8.939 1.00 0.00 C ATOM 537 C LYS A 40 14.149 -0.986 -8.010 1.00 0.00 C ATOM 538 O LYS A 40 14.025 -1.116 -6.793 1.00 0.00 O ATOM 539 CB LYS A 40 12.808 -0.103 -10.006 1.00 0.00 C ATOM 540 CG LYS A 40 12.278 -0.688 -11.317 1.00 0.00 C ATOM 541 CD LYS A 40 10.827 -1.149 -11.165 1.00 0.00 C ATOM 542 CE LYS A 40 10.259 -1.621 -12.505 1.00 0.00 C ATOM 543 NZ LYS A 40 10.915 -2.877 -12.932 1.00 0.00 N ATOM 0 H LYS A 40 11.136 -2.077 -8.380 1.00 0.00 H new ATOM 0 HA LYS A 40 13.124 -2.119 -9.484 1.00 0.00 H new ATOM 0 HB2 LYS A 40 12.131 0.674 -9.650 1.00 0.00 H new ATOM 0 HB3 LYS A 40 13.774 0.371 -10.179 1.00 0.00 H new ATOM 0 HG2 LYS A 40 12.345 0.061 -12.107 1.00 0.00 H new ATOM 0 HG3 LYS A 40 12.901 -1.529 -11.622 1.00 0.00 H new ATOM 0 HD2 LYS A 40 10.773 -1.959 -10.438 1.00 0.00 H new ATOM 0 HD3 LYS A 40 10.220 -0.331 -10.777 1.00 0.00 H new ATOM 0 HE2 LYS A 40 9.184 -1.777 -12.416 1.00 0.00 H new ATOM 0 HE3 LYS A 40 10.408 -0.851 -13.262 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 10.255 -3.433 -13.512 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 11.763 -2.653 -13.491 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 11.188 -3.428 -12.094 1.00 0.00 H new ATOM 557 N LYS A 41 15.283 -0.670 -8.619 1.00 0.00 N ATOM 558 CA LYS A 41 16.502 -0.446 -7.861 1.00 0.00 C ATOM 559 C LYS A 41 16.957 1.002 -8.052 1.00 0.00 C ATOM 560 O LYS A 41 17.286 1.686 -7.083 1.00 0.00 O ATOM 561 CB LYS A 41 17.565 -1.479 -8.240 1.00 0.00 C ATOM 562 CG LYS A 41 18.957 -1.021 -7.800 1.00 0.00 C ATOM 563 CD LYS A 41 19.102 -1.092 -6.278 1.00 0.00 C ATOM 564 CE LYS A 41 19.488 -2.502 -5.830 1.00 0.00 C ATOM 565 NZ LYS A 41 19.963 -2.489 -4.428 1.00 0.00 N ATOM 0 H LYS A 41 15.383 -0.564 -9.629 1.00 0.00 H new ATOM 0 HA LYS A 41 16.320 -0.586 -6.795 1.00 0.00 H new ATOM 0 HB2 LYS A 41 17.329 -2.436 -7.775 1.00 0.00 H new ATOM 0 HB3 LYS A 41 17.555 -1.638 -9.318 1.00 0.00 H new ATOM 0 HG2 LYS A 41 19.715 -1.647 -8.271 1.00 0.00 H new ATOM 0 HG3 LYS A 41 19.132 0.000 -8.138 1.00 0.00 H new ATOM 0 HD2 LYS A 41 19.860 -0.381 -5.948 1.00 0.00 H new ATOM 0 HD3 LYS A 41 18.164 -0.800 -5.806 1.00 0.00 H new ATOM 0 HE2 LYS A 41 18.630 -3.167 -5.923 1.00 0.00 H new ATOM 0 HE3 LYS A 41 20.269 -2.896 -6.481 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 20.221 -3.454 -4.140 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 20.795 -1.870 -4.349 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 19.207 -2.133 -3.809 1.00 0.00 H new ATOM 579 N GLU A 42 16.962 1.427 -9.306 1.00 0.00 N ATOM 580 CA GLU A 42 17.371 2.782 -9.636 1.00 0.00 C ATOM 581 C GLU A 42 16.190 3.743 -9.492 1.00 0.00 C ATOM 582 O GLU A 42 16.269 4.897 -9.911 1.00 0.00 O ATOM 583 CB GLU A 42 17.963 2.848 -11.045 1.00 0.00 C ATOM 584 CG GLU A 42 16.901 2.536 -12.101 1.00 0.00 C ATOM 585 CD GLU A 42 17.428 2.820 -13.510 1.00 0.00 C ATOM 586 OE1 GLU A 42 17.330 3.995 -13.926 1.00 0.00 O ATOM 587 OE2 GLU A 42 17.917 1.856 -14.138 1.00 0.00 O ATOM 0 H GLU A 42 16.689 0.857 -10.107 1.00 0.00 H new ATOM 0 HA GLU A 42 18.149 3.086 -8.936 1.00 0.00 H new ATOM 0 HB2 GLU A 42 18.377 3.840 -11.223 1.00 0.00 H new ATOM 0 HB3 GLU A 42 18.786 2.139 -11.131 1.00 0.00 H new ATOM 0 HG2 GLU A 42 16.603 1.490 -12.024 1.00 0.00 H new ATOM 0 HG3 GLU A 42 16.010 3.136 -11.914 1.00 0.00 H new ATOM 594 N LEU A 43 15.122 3.233 -8.897 1.00 0.00 N ATOM 595 CA LEU A 43 13.926 4.032 -8.692 1.00 0.00 C ATOM 596 C LEU A 43 13.844 4.452 -7.223 1.00 0.00 C ATOM 597 O LEU A 43 13.401 5.557 -6.914 1.00 0.00 O ATOM 598 CB LEU A 43 12.688 3.280 -9.187 1.00 0.00 C ATOM 599 CG LEU A 43 12.631 2.997 -10.689 1.00 0.00 C ATOM 600 CD1 LEU A 43 11.228 2.555 -11.111 1.00 0.00 C ATOM 601 CD2 LEU A 43 13.118 4.204 -11.494 1.00 0.00 C ATOM 0 H LEU A 43 15.060 2.276 -8.550 1.00 0.00 H new ATOM 0 HA LEU A 43 13.973 4.947 -9.283 1.00 0.00 H new ATOM 0 HB2 LEU A 43 12.628 2.330 -8.656 1.00 0.00 H new ATOM 0 HB3 LEU A 43 11.804 3.855 -8.912 1.00 0.00 H new ATOM 0 HG LEU A 43 13.308 2.171 -10.906 1.00 0.00 H new ATOM 0 HD11 LEU A 43 11.215 2.360 -12.183 1.00 0.00 H new ATOM 0 HD12 LEU A 43 10.956 1.646 -10.574 1.00 0.00 H new ATOM 0 HD13 LEU A 43 10.512 3.343 -10.877 1.00 0.00 H new ATOM 0 HD21 LEU A 43 13.067 3.976 -12.559 1.00 0.00 H new ATOM 0 HD22 LEU A 43 12.486 5.065 -11.277 1.00 0.00 H new ATOM 0 HD23 LEU A 43 14.148 4.432 -11.221 1.00 0.00 H new ATOM 613 N GLN A 44 14.277 3.548 -6.357 1.00 0.00 N ATOM 614 CA GLN A 44 14.258 3.811 -4.928 1.00 0.00 C ATOM 615 C GLN A 44 14.632 5.269 -4.652 1.00 0.00 C ATOM 616 O GLN A 44 14.097 5.887 -3.733 1.00 0.00 O ATOM 617 CB GLN A 44 15.191 2.855 -4.182 1.00 0.00 C ATOM 618 CG GLN A 44 14.680 1.416 -4.264 1.00 0.00 C ATOM 619 CD GLN A 44 15.581 0.469 -3.467 1.00 0.00 C ATOM 620 OE1 GLN A 44 15.984 0.747 -2.350 1.00 0.00 O ATOM 621 NE2 GLN A 44 15.872 -0.663 -4.103 1.00 0.00 N ATOM 0 H GLN A 44 14.643 2.632 -6.617 1.00 0.00 H new ATOM 0 HA GLN A 44 13.246 3.640 -4.560 1.00 0.00 H new ATOM 0 HB2 GLN A 44 16.193 2.914 -4.607 1.00 0.00 H new ATOM 0 HB3 GLN A 44 15.269 3.158 -3.138 1.00 0.00 H new ATOM 0 HG2 GLN A 44 13.662 1.365 -3.879 1.00 0.00 H new ATOM 0 HG3 GLN A 44 14.643 1.098 -5.306 1.00 0.00 H new ATOM 0 HE21 GLN A 44 15.501 -0.833 -5.038 1.00 0.00 H new ATOM 0 HE22 GLN A 44 16.466 -1.361 -3.656 1.00 0.00 H new ATOM 630 N ASN A 45 15.547 5.776 -5.465 1.00 0.00 N ATOM 631 CA ASN A 45 15.999 7.150 -5.320 1.00 0.00 C ATOM 632 C ASN A 45 16.701 7.311 -3.970 1.00 0.00 C ATOM 633 O ASN A 45 16.803 8.421 -3.449 1.00 0.00 O ATOM 634 CB ASN A 45 14.820 8.124 -5.359 1.00 0.00 C ATOM 635 CG ASN A 45 14.883 9.011 -6.604 1.00 0.00 C ATOM 636 OD1 ASN A 45 13.744 9.064 -7.289 1.00 0.00 O flip ATOM 637 ND2 ASN A 45 15.898 9.609 -6.921 1.00 0.00 N flip ATOM 0 H ASN A 45 15.988 5.260 -6.227 1.00 0.00 H new ATOM 0 HA ASN A 45 16.677 7.371 -6.144 1.00 0.00 H new ATOM 0 HB2 ASN A 45 13.883 7.567 -5.352 1.00 0.00 H new ATOM 0 HB3 ASN A 45 14.828 8.746 -4.464 1.00 0.00 H new ATOM 0 HD21 ASN A 45 16.739 9.525 -6.350 1.00 0.00 H new ATOM 0 HD22 ASN A 45 15.906 10.193 -7.757 1.00 0.00 H new ATOM 644 N GLY A 46 17.166 6.188 -3.443 1.00 0.00 N ATOM 645 CA GLY A 46 17.856 6.191 -2.164 1.00 0.00 C ATOM 646 C GLY A 46 17.040 5.456 -1.099 1.00 0.00 C ATOM 647 O GLY A 46 16.542 6.072 -0.158 1.00 0.00 O ATOM 0 H GLY A 46 17.079 5.270 -3.878 1.00 0.00 H new ATOM 0 HA2 GLY A 46 18.831 5.716 -2.272 1.00 0.00 H new ATOM 0 HA3 GLY A 46 18.035 7.218 -1.846 1.00 0.00 H new ATOM 651 N VAL A 47 16.927 4.149 -1.284 1.00 0.00 N ATOM 652 CA VAL A 47 16.179 3.323 -0.351 1.00 0.00 C ATOM 653 C VAL A 47 14.820 3.971 -0.080 1.00 0.00 C ATOM 654 O VAL A 47 14.564 5.092 -0.516 1.00 0.00 O ATOM 655 CB VAL A 47 16.999 3.098 0.922 1.00 0.00 C ATOM 656 CG1 VAL A 47 17.327 4.428 1.604 1.00 0.00 C ATOM 657 CG2 VAL A 47 16.273 2.154 1.881 1.00 0.00 C ATOM 0 H VAL A 47 17.341 3.641 -2.066 1.00 0.00 H new ATOM 0 HA VAL A 47 15.990 2.338 -0.778 1.00 0.00 H new ATOM 0 HB VAL A 47 17.940 2.627 0.637 1.00 0.00 H new ATOM 0 HG11 VAL A 47 17.910 4.240 2.506 1.00 0.00 H new ATOM 0 HG12 VAL A 47 17.904 5.054 0.923 1.00 0.00 H new ATOM 0 HG13 VAL A 47 16.401 4.938 1.870 1.00 0.00 H new ATOM 0 HG21 VAL A 47 16.877 2.011 2.777 1.00 0.00 H new ATOM 0 HG22 VAL A 47 15.311 2.585 2.157 1.00 0.00 H new ATOM 0 HG23 VAL A 47 16.113 1.192 1.394 1.00 0.00 H new ATOM 667 N ILE A 48 13.983 3.236 0.639 1.00 0.00 N ATOM 668 CA ILE A 48 12.656 3.725 0.974 1.00 0.00 C ATOM 669 C ILE A 48 12.484 3.721 2.494 1.00 0.00 C ATOM 670 O ILE A 48 12.932 2.796 3.170 1.00 0.00 O ATOM 671 CB ILE A 48 11.587 2.921 0.232 1.00 0.00 C ATOM 672 CG1 ILE A 48 11.953 2.753 -1.244 1.00 0.00 C ATOM 673 CG2 ILE A 48 10.204 3.552 0.411 1.00 0.00 C ATOM 674 CD1 ILE A 48 11.611 4.014 -2.041 1.00 0.00 C ATOM 0 H ILE A 48 14.198 2.306 0.999 1.00 0.00 H new ATOM 0 HA ILE A 48 12.535 4.756 0.642 1.00 0.00 H new ATOM 0 HB ILE A 48 11.545 1.923 0.669 1.00 0.00 H new ATOM 0 HG12 ILE A 48 13.018 2.538 -1.336 1.00 0.00 H new ATOM 0 HG13 ILE A 48 11.418 1.899 -1.660 1.00 0.00 H new ATOM 0 HG21 ILE A 48 9.462 2.961 -0.126 1.00 0.00 H new ATOM 0 HG22 ILE A 48 9.950 3.577 1.471 1.00 0.00 H new ATOM 0 HG23 ILE A 48 10.214 4.568 0.016 1.00 0.00 H new ATOM 0 HD11 ILE A 48 11.881 3.868 -3.087 1.00 0.00 H new ATOM 0 HD12 ILE A 48 10.542 4.213 -1.967 1.00 0.00 H new ATOM 0 HD13 ILE A 48 12.166 4.861 -1.638 1.00 0.00 H new ATOM 686 N ARG A 49 11.835 4.765 2.987 1.00 0.00 N ATOM 687 CA ARG A 49 11.598 4.894 4.415 1.00 0.00 C ATOM 688 C ARG A 49 10.350 4.106 4.819 1.00 0.00 C ATOM 689 O ARG A 49 10.313 3.501 5.889 1.00 0.00 O ATOM 690 CB ARG A 49 11.420 6.360 4.814 1.00 0.00 C ATOM 691 CG ARG A 49 12.727 7.136 4.649 1.00 0.00 C ATOM 692 CD ARG A 49 13.345 7.466 6.009 1.00 0.00 C ATOM 693 NE ARG A 49 14.778 7.093 6.018 1.00 0.00 N ATOM 694 CZ ARG A 49 15.230 5.856 6.263 1.00 0.00 C ATOM 695 NH1 ARG A 49 14.366 4.865 6.520 1.00 0.00 N ATOM 696 NH2 ARG A 49 16.548 5.610 6.250 1.00 0.00 N ATOM 0 H ARG A 49 11.465 5.530 2.423 1.00 0.00 H new ATOM 0 HA ARG A 49 12.469 4.492 4.933 1.00 0.00 H new ATOM 0 HB2 ARG A 49 10.643 6.816 4.201 1.00 0.00 H new ATOM 0 HB3 ARG A 49 11.085 6.421 5.850 1.00 0.00 H new ATOM 0 HG2 ARG A 49 13.431 6.549 4.059 1.00 0.00 H new ATOM 0 HG3 ARG A 49 12.540 8.057 4.098 1.00 0.00 H new ATOM 0 HD2 ARG A 49 13.236 8.530 6.218 1.00 0.00 H new ATOM 0 HD3 ARG A 49 12.816 6.930 6.798 1.00 0.00 H new ATOM 0 HE ARG A 49 15.464 7.823 5.826 1.00 0.00 H new ATOM 0 HH11 ARG A 49 13.363 5.052 6.529 1.00 0.00 H new ATOM 0 HH12 ARG A 49 14.711 3.923 6.706 1.00 0.00 H new ATOM 0 HH21 ARG A 49 17.206 6.365 6.054 1.00 0.00 H new ATOM 0 HH22 ARG A 49 16.893 4.668 6.436 1.00 0.00 H new ATOM 710 N GLY A 50 9.358 4.140 3.941 1.00 0.00 N ATOM 711 CA GLY A 50 8.112 3.437 4.193 1.00 0.00 C ATOM 712 C GLY A 50 7.203 3.476 2.963 1.00 0.00 C ATOM 713 O GLY A 50 7.519 4.133 1.973 1.00 0.00 O ATOM 0 H GLY A 50 9.392 4.643 3.055 1.00 0.00 H new ATOM 0 HA2 GLY A 50 8.322 2.402 4.462 1.00 0.00 H new ATOM 0 HA3 GLY A 50 7.600 3.889 5.042 1.00 0.00 H new ATOM 717 N TYR A 51 6.091 2.762 3.066 1.00 0.00 N ATOM 718 CA TYR A 51 5.134 2.706 1.974 1.00 0.00 C ATOM 719 C TYR A 51 3.733 3.091 2.453 1.00 0.00 C ATOM 720 O TYR A 51 3.510 3.272 3.649 1.00 0.00 O ATOM 721 CB TYR A 51 5.117 1.250 1.503 1.00 0.00 C ATOM 722 CG TYR A 51 6.395 0.814 0.785 1.00 0.00 C ATOM 723 CD1 TYR A 51 7.606 0.856 1.445 1.00 0.00 C ATOM 724 CD2 TYR A 51 6.337 0.378 -0.523 1.00 0.00 C ATOM 725 CE1 TYR A 51 8.810 0.446 0.769 1.00 0.00 C ATOM 726 CE2 TYR A 51 7.540 -0.033 -1.199 1.00 0.00 C ATOM 727 CZ TYR A 51 8.717 0.021 -0.520 1.00 0.00 C ATOM 728 OH TYR A 51 9.854 -0.367 -1.158 1.00 0.00 O ATOM 0 H TYR A 51 5.832 2.218 3.889 1.00 0.00 H new ATOM 0 HA TYR A 51 5.415 3.399 1.181 1.00 0.00 H new ATOM 0 HB2 TYR A 51 4.957 0.602 2.365 1.00 0.00 H new ATOM 0 HB3 TYR A 51 4.269 1.105 0.834 1.00 0.00 H new ATOM 0 HD1 TYR A 51 7.651 1.196 2.469 1.00 0.00 H new ATOM 0 HD2 TYR A 51 5.389 0.345 -1.040 1.00 0.00 H new ATOM 0 HE1 TYR A 51 9.764 0.475 1.274 1.00 0.00 H new ATOM 0 HE2 TYR A 51 7.508 -0.376 -2.222 1.00 0.00 H new ATOM 0 HH TYR A 51 9.915 -1.345 -1.152 1.00 0.00 H new ATOM 738 N GLN A 52 2.825 3.205 1.495 1.00 0.00 N ATOM 739 CA GLN A 52 1.452 3.565 1.804 1.00 0.00 C ATOM 740 C GLN A 52 0.481 2.651 1.052 1.00 0.00 C ATOM 741 O GLN A 52 0.633 2.432 -0.149 1.00 0.00 O ATOM 742 CB GLN A 52 1.184 5.035 1.478 1.00 0.00 C ATOM 743 CG GLN A 52 1.340 5.910 2.723 1.00 0.00 C ATOM 744 CD GLN A 52 0.713 7.289 2.507 1.00 0.00 C ATOM 745 OE1 GLN A 52 0.291 7.644 1.418 1.00 0.00 O ATOM 746 NE2 GLN A 52 0.675 8.044 3.601 1.00 0.00 N ATOM 0 H GLN A 52 3.014 3.054 0.504 1.00 0.00 H new ATOM 0 HA GLN A 52 1.294 3.429 2.874 1.00 0.00 H new ATOM 0 HB2 GLN A 52 1.874 5.371 0.704 1.00 0.00 H new ATOM 0 HB3 GLN A 52 0.177 5.144 1.076 1.00 0.00 H new ATOM 0 HG2 GLN A 52 0.869 5.422 3.576 1.00 0.00 H new ATOM 0 HG3 GLN A 52 2.397 6.021 2.964 1.00 0.00 H new ATOM 0 HE21 GLN A 52 1.046 7.686 4.481 1.00 0.00 H new ATOM 0 HE22 GLN A 52 0.275 8.981 3.560 1.00 0.00 H new ATOM 755 N ILE A 53 -0.494 2.142 1.790 1.00 0.00 N ATOM 756 CA ILE A 53 -1.489 1.257 1.209 1.00 0.00 C ATOM 757 C ILE A 53 -2.860 1.934 1.261 1.00 0.00 C ATOM 758 O ILE A 53 -3.437 2.094 2.336 1.00 0.00 O ATOM 759 CB ILE A 53 -1.453 -0.112 1.891 1.00 0.00 C ATOM 760 CG1 ILE A 53 -0.079 -0.766 1.733 1.00 0.00 C ATOM 761 CG2 ILE A 53 -2.578 -1.011 1.376 1.00 0.00 C ATOM 762 CD1 ILE A 53 0.949 -0.114 2.660 1.00 0.00 C ATOM 0 H ILE A 53 -0.616 2.326 2.786 1.00 0.00 H new ATOM 0 HA ILE A 53 -1.265 1.070 0.159 1.00 0.00 H new ATOM 0 HB ILE A 53 -1.620 0.033 2.958 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -0.151 -1.831 1.956 1.00 0.00 H new ATOM 0 HG13 ILE A 53 0.252 -0.679 0.698 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -2.529 -1.978 1.877 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -3.541 -0.543 1.582 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -2.467 -1.153 0.301 1.00 0.00 H new ATOM 0 HD11 ILE A 53 1.917 -0.598 2.528 1.00 0.00 H new ATOM 0 HD12 ILE A 53 1.037 0.945 2.418 1.00 0.00 H new ATOM 0 HD13 ILE A 53 0.627 -0.224 3.695 1.00 0.00 H new ATOM 774 N GLY A 54 -3.343 2.313 0.087 1.00 0.00 N ATOM 775 CA GLY A 54 -4.635 2.969 -0.015 1.00 0.00 C ATOM 776 C GLY A 54 -5.693 2.014 -0.572 1.00 0.00 C ATOM 777 O GLY A 54 -5.592 1.567 -1.713 1.00 0.00 O ATOM 0 H GLY A 54 -2.862 2.178 -0.802 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -4.944 3.326 0.967 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -4.553 3.843 -0.661 1.00 0.00 H new ATOM 781 N TYR A 55 -6.683 1.728 0.261 1.00 0.00 N ATOM 782 CA TYR A 55 -7.758 0.834 -0.134 1.00 0.00 C ATOM 783 C TYR A 55 -9.119 1.394 0.285 1.00 0.00 C ATOM 784 O TYR A 55 -9.231 2.059 1.314 1.00 0.00 O ATOM 785 CB TYR A 55 -7.509 -0.479 0.611 1.00 0.00 C ATOM 786 CG TYR A 55 -7.627 -0.363 2.132 1.00 0.00 C ATOM 787 CD1 TYR A 55 -6.624 0.248 2.857 1.00 0.00 C ATOM 788 CD2 TYR A 55 -8.736 -0.871 2.779 1.00 0.00 C ATOM 789 CE1 TYR A 55 -6.735 0.357 4.289 1.00 0.00 C ATOM 790 CE2 TYR A 55 -8.846 -0.761 4.211 1.00 0.00 C ATOM 791 CZ TYR A 55 -7.840 -0.153 4.895 1.00 0.00 C ATOM 792 OH TYR A 55 -7.945 -0.050 6.247 1.00 0.00 O ATOM 0 H TYR A 55 -6.763 2.100 1.208 1.00 0.00 H new ATOM 0 HA TYR A 55 -7.772 0.705 -1.216 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -8.220 -1.226 0.258 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -6.513 -0.844 0.361 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -5.756 0.644 2.351 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -9.520 -1.350 2.212 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -5.958 0.833 4.868 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -9.708 -1.153 4.730 1.00 0.00 H new ATOM 0 HH TYR A 55 -8.787 -0.457 6.542 1.00 0.00 H new ATOM 802 N ARG A 56 -10.119 1.105 -0.534 1.00 0.00 N ATOM 803 CA ARG A 56 -11.468 1.572 -0.262 1.00 0.00 C ATOM 804 C ARG A 56 -12.491 0.677 -0.965 1.00 0.00 C ATOM 805 O ARG A 56 -12.249 0.204 -2.074 1.00 0.00 O ATOM 806 CB ARG A 56 -11.657 3.016 -0.730 1.00 0.00 C ATOM 807 CG ARG A 56 -11.140 3.201 -2.159 1.00 0.00 C ATOM 808 CD ARG A 56 -12.015 4.187 -2.935 1.00 0.00 C ATOM 809 NE ARG A 56 -12.487 3.565 -4.192 1.00 0.00 N ATOM 810 CZ ARG A 56 -13.576 3.962 -4.864 1.00 0.00 C ATOM 811 NH1 ARG A 56 -14.311 4.983 -4.405 1.00 0.00 N ATOM 812 NH2 ARG A 56 -13.928 3.338 -5.997 1.00 0.00 N ATOM 0 H ARG A 56 -10.022 0.553 -1.386 1.00 0.00 H new ATOM 0 HA ARG A 56 -11.622 1.529 0.816 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -12.713 3.282 -0.684 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -11.129 3.692 -0.058 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -10.112 3.563 -2.134 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -11.127 2.239 -2.672 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -12.868 4.487 -2.326 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -11.449 5.091 -3.158 1.00 0.00 H new ATOM 0 HE ARG A 56 -11.950 2.785 -4.571 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -14.042 5.459 -3.544 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -15.140 5.285 -4.917 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -13.367 2.561 -6.347 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -14.757 3.640 -6.509 1.00 0.00 H new ATOM 826 N GLU A 57 -13.613 0.472 -0.290 1.00 0.00 N ATOM 827 CA GLU A 57 -14.674 -0.357 -0.836 1.00 0.00 C ATOM 828 C GLU A 57 -15.011 0.082 -2.262 1.00 0.00 C ATOM 829 O GLU A 57 -15.351 1.241 -2.494 1.00 0.00 O ATOM 830 CB GLU A 57 -15.915 -0.318 0.057 1.00 0.00 C ATOM 831 CG GLU A 57 -16.643 -1.664 0.044 1.00 0.00 C ATOM 832 CD GLU A 57 -18.159 -1.468 0.104 1.00 0.00 C ATOM 833 OE1 GLU A 57 -18.572 -0.351 0.483 1.00 0.00 O ATOM 834 OE2 GLU A 57 -18.871 -2.440 -0.230 1.00 0.00 O ATOM 0 H GLU A 57 -13.810 0.866 0.630 1.00 0.00 H new ATOM 0 HA GLU A 57 -14.322 -1.388 -0.868 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -15.625 -0.067 1.077 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -16.589 0.467 -0.285 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -16.379 -2.215 -0.859 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -16.317 -2.266 0.892 1.00 0.00 H new ATOM 936 N TYR A 66 -9.691 6.951 -0.353 1.00 0.00 N ATOM 937 CA TYR A 66 -8.892 5.759 -0.124 1.00 0.00 C ATOM 938 C TYR A 66 -8.206 5.814 1.242 1.00 0.00 C ATOM 939 O TYR A 66 -7.453 6.744 1.526 1.00 0.00 O ATOM 940 CB TYR A 66 -7.823 5.752 -1.219 1.00 0.00 C ATOM 941 CG TYR A 66 -8.247 5.028 -2.498 1.00 0.00 C ATOM 942 CD1 TYR A 66 -9.031 5.677 -3.431 1.00 0.00 C ATOM 943 CD2 TYR A 66 -7.847 3.726 -2.720 1.00 0.00 C ATOM 944 CE1 TYR A 66 -9.430 4.996 -4.635 1.00 0.00 C ATOM 945 CE2 TYR A 66 -8.246 3.045 -3.924 1.00 0.00 C ATOM 946 CZ TYR A 66 -9.018 3.714 -4.822 1.00 0.00 C ATOM 947 OH TYR A 66 -9.395 3.071 -5.960 1.00 0.00 O ATOM 0 HA TYR A 66 -9.518 4.867 -0.145 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -7.563 6.782 -1.466 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -6.921 5.281 -0.829 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -9.345 6.696 -3.258 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -7.234 3.218 -1.990 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -10.043 5.492 -5.373 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -7.939 2.026 -4.110 1.00 0.00 H new ATOM 0 HH TYR A 66 -9.027 2.163 -5.960 1.00 0.00 H new ATOM 957 N SER A 67 -8.490 4.804 2.052 1.00 0.00 N ATOM 958 CA SER A 67 -7.910 4.725 3.382 1.00 0.00 C ATOM 959 C SER A 67 -6.410 4.437 3.282 1.00 0.00 C ATOM 960 O SER A 67 -6.009 3.346 2.879 1.00 0.00 O ATOM 961 CB SER A 67 -8.602 3.649 4.221 1.00 0.00 C ATOM 962 OG SER A 67 -10.011 3.847 4.286 1.00 0.00 O ATOM 0 H SER A 67 -9.114 4.034 1.813 1.00 0.00 H new ATOM 0 HA SER A 67 -8.057 5.685 3.877 1.00 0.00 H new ATOM 0 HB2 SER A 67 -8.393 2.667 3.795 1.00 0.00 H new ATOM 0 HB3 SER A 67 -8.188 3.654 5.229 1.00 0.00 H new ATOM 0 HG SER A 67 -10.416 3.139 4.829 1.00 0.00 H new ATOM 968 N ILE A 68 -5.623 5.435 3.655 1.00 0.00 N ATOM 969 CA ILE A 68 -4.176 5.303 3.613 1.00 0.00 C ATOM 970 C ILE A 68 -3.679 4.759 4.954 1.00 0.00 C ATOM 971 O ILE A 68 -4.171 5.154 6.009 1.00 0.00 O ATOM 972 CB ILE A 68 -3.529 6.629 3.209 1.00 0.00 C ATOM 973 CG1 ILE A 68 -3.928 7.023 1.785 1.00 0.00 C ATOM 974 CG2 ILE A 68 -2.010 6.574 3.384 1.00 0.00 C ATOM 975 CD1 ILE A 68 -3.382 6.020 0.766 1.00 0.00 C ATOM 0 H ILE A 68 -5.959 6.339 3.988 1.00 0.00 H new ATOM 0 HA ILE A 68 -3.881 4.585 2.848 1.00 0.00 H new ATOM 0 HB ILE A 68 -3.902 7.407 3.875 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -5.014 7.071 1.708 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -3.548 8.020 1.559 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -1.575 7.529 3.090 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -1.771 6.373 4.428 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -1.600 5.781 2.759 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -3.680 6.323 -0.238 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -2.294 5.993 0.829 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -3.783 5.029 0.980 1.00 0.00 H new ATOM 987 N VAL A 69 -2.708 3.861 4.868 1.00 0.00 N ATOM 988 CA VAL A 69 -2.138 3.259 6.061 1.00 0.00 C ATOM 989 C VAL A 69 -0.616 3.405 6.024 1.00 0.00 C ATOM 990 O VAL A 69 0.037 2.903 5.109 1.00 0.00 O ATOM 991 CB VAL A 69 -2.597 1.805 6.184 1.00 0.00 C ATOM 992 CG1 VAL A 69 -3.845 1.696 7.062 1.00 0.00 C ATOM 993 CG2 VAL A 69 -2.842 1.189 4.805 1.00 0.00 C ATOM 0 H VAL A 69 -2.302 3.536 3.991 1.00 0.00 H new ATOM 0 HA VAL A 69 -2.492 3.774 6.954 1.00 0.00 H new ATOM 0 HB VAL A 69 -1.798 1.242 6.666 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -4.150 0.652 7.133 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -3.623 2.078 8.059 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -4.652 2.281 6.621 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -3.167 0.155 4.921 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -3.614 1.756 4.285 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -1.919 1.216 4.225 1.00 0.00 H new ATOM 1003 N GLU A 70 -0.094 4.093 7.028 1.00 0.00 N ATOM 1004 CA GLU A 70 1.340 4.311 7.121 1.00 0.00 C ATOM 1005 C GLU A 70 2.027 3.075 7.704 1.00 0.00 C ATOM 1006 O GLU A 70 1.554 2.501 8.684 1.00 0.00 O ATOM 1007 CB GLU A 70 1.652 5.557 7.953 1.00 0.00 C ATOM 1008 CG GLU A 70 3.027 5.443 8.615 1.00 0.00 C ATOM 1009 CD GLU A 70 2.933 4.697 9.948 1.00 0.00 C ATOM 1010 OE1 GLU A 70 2.272 5.242 10.858 1.00 0.00 O ATOM 1011 OE2 GLU A 70 3.526 3.600 10.027 1.00 0.00 O ATOM 0 H GLU A 70 -0.638 4.507 7.785 1.00 0.00 H new ATOM 0 HA GLU A 70 1.729 4.479 6.117 1.00 0.00 H new ATOM 0 HB2 GLU A 70 1.623 6.441 7.316 1.00 0.00 H new ATOM 0 HB3 GLU A 70 0.886 5.690 8.717 1.00 0.00 H new ATOM 0 HG2 GLU A 70 3.713 4.920 7.949 1.00 0.00 H new ATOM 0 HG3 GLU A 70 3.439 6.439 8.779 1.00 0.00 H new ATOM 1018 N MET A 71 3.134 2.702 7.078 1.00 0.00 N ATOM 1019 CA MET A 71 3.891 1.545 7.522 1.00 0.00 C ATOM 1020 C MET A 71 5.394 1.770 7.340 1.00 0.00 C ATOM 1021 O MET A 71 5.815 2.831 6.883 1.00 0.00 O ATOM 1022 CB MET A 71 3.459 0.313 6.723 1.00 0.00 C ATOM 1023 CG MET A 71 3.817 0.467 5.244 1.00 0.00 C ATOM 1024 SD MET A 71 5.499 -0.059 4.965 1.00 0.00 S ATOM 1025 CE MET A 71 5.210 -1.703 4.332 1.00 0.00 C ATOM 0 H MET A 71 3.524 3.181 6.267 1.00 0.00 H new ATOM 0 HA MET A 71 3.691 1.390 8.582 1.00 0.00 H new ATOM 0 HB2 MET A 71 3.943 -0.576 7.128 1.00 0.00 H new ATOM 0 HB3 MET A 71 2.384 0.166 6.827 1.00 0.00 H new ATOM 0 HG2 MET A 71 3.136 -0.125 4.633 1.00 0.00 H new ATOM 0 HG3 MET A 71 3.697 1.506 4.939 1.00 0.00 H new ATOM 0 HE1 MET A 71 5.470 -2.437 5.094 1.00 0.00 H new ATOM 0 HE2 MET A 71 4.158 -1.811 4.067 1.00 0.00 H new ATOM 0 HE3 MET A 71 5.825 -1.866 3.447 1.00 0.00 H new ATOM 1035 N LYS A 72 6.161 0.754 7.707 1.00 0.00 N ATOM 1036 CA LYS A 72 7.607 0.828 7.590 1.00 0.00 C ATOM 1037 C LYS A 72 8.094 -0.268 6.640 1.00 0.00 C ATOM 1038 O LYS A 72 7.485 -1.333 6.551 1.00 0.00 O ATOM 1039 CB LYS A 72 8.260 0.777 8.973 1.00 0.00 C ATOM 1040 CG LYS A 72 8.079 -0.600 9.615 1.00 0.00 C ATOM 1041 CD LYS A 72 9.431 -1.220 9.972 1.00 0.00 C ATOM 1042 CE LYS A 72 9.248 -2.532 10.737 1.00 0.00 C ATOM 1043 NZ LYS A 72 9.404 -3.689 9.827 1.00 0.00 N ATOM 0 H LYS A 72 5.808 -0.125 8.086 1.00 0.00 H new ATOM 0 HA LYS A 72 7.906 1.783 7.157 1.00 0.00 H new ATOM 0 HB2 LYS A 72 9.322 1.005 8.886 1.00 0.00 H new ATOM 0 HB3 LYS A 72 7.822 1.542 9.614 1.00 0.00 H new ATOM 0 HG2 LYS A 72 7.468 -0.509 10.513 1.00 0.00 H new ATOM 0 HG3 LYS A 72 7.543 -1.257 8.930 1.00 0.00 H new ATOM 0 HD2 LYS A 72 10.003 -1.402 9.062 1.00 0.00 H new ATOM 0 HD3 LYS A 72 10.008 -0.520 10.576 1.00 0.00 H new ATOM 0 HE2 LYS A 72 9.979 -2.595 11.543 1.00 0.00 H new ATOM 0 HE3 LYS A 72 8.261 -2.556 11.199 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 8.708 -4.421 10.074 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 9.249 -3.382 8.845 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 10.364 -4.078 9.921 1.00 0.00 H new ATOM 1057 N ALA A 73 9.188 0.030 5.954 1.00 0.00 N ATOM 1058 CA ALA A 73 9.763 -0.916 5.014 1.00 0.00 C ATOM 1059 C ALA A 73 10.488 -2.020 5.788 1.00 0.00 C ATOM 1060 O ALA A 73 11.570 -1.796 6.329 1.00 0.00 O ATOM 1061 CB ALA A 73 10.690 -0.176 4.048 1.00 0.00 C ATOM 0 H ALA A 73 9.691 0.914 6.031 1.00 0.00 H new ATOM 0 HA ALA A 73 8.982 -1.389 4.418 1.00 0.00 H new ATOM 0 HB1 ALA A 73 11.122 -0.886 3.342 1.00 0.00 H new ATOM 0 HB2 ALA A 73 10.121 0.577 3.503 1.00 0.00 H new ATOM 0 HB3 ALA A 73 11.489 0.309 4.610 1.00 0.00 H new ATOM 1067 N THR A 74 9.863 -3.187 5.815 1.00 0.00 N ATOM 1068 CA THR A 74 10.435 -4.326 6.513 1.00 0.00 C ATOM 1069 C THR A 74 11.793 -4.693 5.912 1.00 0.00 C ATOM 1070 O THR A 74 12.717 -5.063 6.635 1.00 0.00 O ATOM 1071 CB THR A 74 9.419 -5.470 6.463 1.00 0.00 C ATOM 1072 OG1 THR A 74 9.355 -5.817 5.083 1.00 0.00 O ATOM 1073 CG2 THR A 74 8.000 -5.007 6.798 1.00 0.00 C ATOM 0 H THR A 74 8.966 -3.369 5.365 1.00 0.00 H new ATOM 0 HA THR A 74 10.631 -4.091 7.559 1.00 0.00 H new ATOM 0 HB THR A 74 9.719 -6.253 7.159 1.00 0.00 H new ATOM 0 HG1 THR A 74 9.391 -6.792 4.989 1.00 0.00 H new ATOM 0 HG21 THR A 74 7.319 -5.856 6.748 1.00 0.00 H new ATOM 0 HG22 THR A 74 7.982 -4.586 7.803 1.00 0.00 H new ATOM 0 HG23 THR A 74 7.686 -4.248 6.081 1.00 0.00 H new ATOM 1081 N GLY A 75 11.871 -4.579 4.594 1.00 0.00 N ATOM 1082 CA GLY A 75 13.101 -4.894 3.888 1.00 0.00 C ATOM 1083 C GLY A 75 12.930 -4.706 2.379 1.00 0.00 C ATOM 1084 O GLY A 75 12.443 -3.670 1.930 1.00 0.00 O ATOM 0 H GLY A 75 11.103 -4.273 3.997 1.00 0.00 H new ATOM 0 HA2 GLY A 75 13.906 -4.254 4.249 1.00 0.00 H new ATOM 0 HA3 GLY A 75 13.393 -5.923 4.099 1.00 0.00 H new ATOM 1088 N ASP A 76 13.340 -5.725 1.638 1.00 0.00 N ATOM 1089 CA ASP A 76 13.238 -5.685 0.189 1.00 0.00 C ATOM 1090 C ASP A 76 11.786 -5.933 -0.223 1.00 0.00 C ATOM 1091 O ASP A 76 11.344 -5.460 -1.269 1.00 0.00 O ATOM 1092 CB ASP A 76 14.103 -6.771 -0.454 1.00 0.00 C ATOM 1093 CG ASP A 76 15.398 -7.094 0.294 1.00 0.00 C ATOM 1094 OD1 ASP A 76 15.313 -7.878 1.264 1.00 0.00 O ATOM 1095 OD2 ASP A 76 16.444 -6.549 -0.120 1.00 0.00 O ATOM 0 H ASP A 76 13.743 -6.583 2.014 1.00 0.00 H new ATOM 0 HA ASP A 76 13.580 -4.706 -0.146 1.00 0.00 H new ATOM 0 HB2 ASP A 76 13.512 -7.683 -0.537 1.00 0.00 H new ATOM 0 HB3 ASP A 76 14.355 -6.461 -1.468 1.00 0.00 H new ATOM 1100 N SER A 77 11.083 -6.674 0.621 1.00 0.00 N ATOM 1101 CA SER A 77 9.689 -6.990 0.358 1.00 0.00 C ATOM 1102 C SER A 77 8.824 -6.569 1.548 1.00 0.00 C ATOM 1103 O SER A 77 9.261 -6.643 2.695 1.00 0.00 O ATOM 1104 CB SER A 77 9.507 -8.482 0.071 1.00 0.00 C ATOM 1105 OG SER A 77 9.851 -9.287 1.195 1.00 0.00 O ATOM 0 H SER A 77 11.453 -7.065 1.488 1.00 0.00 H new ATOM 0 HA SER A 77 9.374 -6.437 -0.526 1.00 0.00 H new ATOM 0 HB2 SER A 77 8.471 -8.674 -0.209 1.00 0.00 H new ATOM 0 HB3 SER A 77 10.125 -8.765 -0.781 1.00 0.00 H new ATOM 0 HG SER A 77 9.720 -10.232 0.973 1.00 0.00 H new ATOM 1111 N GLU A 78 7.611 -6.137 1.233 1.00 0.00 N ATOM 1112 CA GLU A 78 6.680 -5.705 2.261 1.00 0.00 C ATOM 1113 C GLU A 78 5.287 -6.275 1.990 1.00 0.00 C ATOM 1114 O GLU A 78 4.971 -6.639 0.858 1.00 0.00 O ATOM 1115 CB GLU A 78 6.639 -4.178 2.357 1.00 0.00 C ATOM 1116 CG GLU A 78 8.040 -3.604 2.576 1.00 0.00 C ATOM 1117 CD GLU A 78 8.525 -2.851 1.336 1.00 0.00 C ATOM 1118 OE1 GLU A 78 8.057 -3.212 0.234 1.00 0.00 O ATOM 1119 OE2 GLU A 78 9.352 -1.932 1.517 1.00 0.00 O ATOM 0 H GLU A 78 7.252 -6.077 0.280 1.00 0.00 H new ATOM 0 HA GLU A 78 7.027 -6.088 3.221 1.00 0.00 H new ATOM 0 HB2 GLU A 78 6.211 -3.764 1.444 1.00 0.00 H new ATOM 0 HB3 GLU A 78 5.987 -3.879 3.178 1.00 0.00 H new ATOM 0 HG2 GLU A 78 8.031 -2.931 3.434 1.00 0.00 H new ATOM 0 HG3 GLU A 78 8.735 -4.411 2.811 1.00 0.00 H new ATOM 1126 N VAL A 79 4.490 -6.335 3.047 1.00 0.00 N ATOM 1127 CA VAL A 79 3.138 -6.854 2.937 1.00 0.00 C ATOM 1128 C VAL A 79 2.247 -6.170 3.975 1.00 0.00 C ATOM 1129 O VAL A 79 2.710 -5.814 5.058 1.00 0.00 O ATOM 1130 CB VAL A 79 3.151 -8.378 3.072 1.00 0.00 C ATOM 1131 CG1 VAL A 79 3.639 -8.802 4.458 1.00 0.00 C ATOM 1132 CG2 VAL A 79 1.770 -8.967 2.772 1.00 0.00 C ATOM 0 H VAL A 79 4.755 -6.032 3.984 1.00 0.00 H new ATOM 0 HA VAL A 79 2.722 -6.631 1.955 1.00 0.00 H new ATOM 0 HB VAL A 79 3.851 -8.773 2.336 1.00 0.00 H new ATOM 0 HG11 VAL A 79 3.638 -9.890 4.527 1.00 0.00 H new ATOM 0 HG12 VAL A 79 4.651 -8.429 4.617 1.00 0.00 H new ATOM 0 HG13 VAL A 79 2.976 -8.390 5.219 1.00 0.00 H new ATOM 0 HG21 VAL A 79 1.807 -10.051 2.875 1.00 0.00 H new ATOM 0 HG22 VAL A 79 1.041 -8.560 3.473 1.00 0.00 H new ATOM 0 HG23 VAL A 79 1.478 -8.709 1.754 1.00 0.00 H new ATOM 1142 N TYR A 80 0.985 -6.005 3.609 1.00 0.00 N ATOM 1143 CA TYR A 80 0.025 -5.369 4.495 1.00 0.00 C ATOM 1144 C TYR A 80 -1.364 -5.991 4.335 1.00 0.00 C ATOM 1145 O TYR A 80 -1.881 -6.087 3.223 1.00 0.00 O ATOM 1146 CB TYR A 80 -0.035 -3.901 4.069 1.00 0.00 C ATOM 1147 CG TYR A 80 -0.541 -2.956 5.160 1.00 0.00 C ATOM 1148 CD1 TYR A 80 -1.847 -3.045 5.598 1.00 0.00 C ATOM 1149 CD2 TYR A 80 0.308 -2.016 5.707 1.00 0.00 C ATOM 1150 CE1 TYR A 80 -2.324 -2.156 6.625 1.00 0.00 C ATOM 1151 CE2 TYR A 80 -0.169 -1.127 6.735 1.00 0.00 C ATOM 1152 CZ TYR A 80 -1.461 -1.240 7.143 1.00 0.00 C ATOM 1153 OH TYR A 80 -1.912 -0.401 8.113 1.00 0.00 O ATOM 0 H TYR A 80 0.604 -6.301 2.710 1.00 0.00 H new ATOM 0 HA TYR A 80 0.325 -5.490 5.536 1.00 0.00 H new ATOM 0 HB2 TYR A 80 0.960 -3.582 3.760 1.00 0.00 H new ATOM 0 HB3 TYR A 80 -0.683 -3.813 3.197 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -2.511 -3.782 5.170 1.00 0.00 H new ATOM 0 HD2 TYR A 80 1.330 -1.947 5.364 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -3.344 -2.215 6.976 1.00 0.00 H new ATOM 0 HE2 TYR A 80 0.485 -0.387 7.172 1.00 0.00 H new ATOM 0 HH TYR A 80 -1.188 0.198 8.390 1.00 0.00 H new ATOM 1163 N THR A 81 -1.929 -6.397 5.463 1.00 0.00 N ATOM 1164 CA THR A 81 -3.248 -7.007 5.463 1.00 0.00 C ATOM 1165 C THR A 81 -4.298 -6.007 5.950 1.00 0.00 C ATOM 1166 O THR A 81 -4.410 -5.754 7.149 1.00 0.00 O ATOM 1167 CB THR A 81 -3.181 -8.279 6.310 1.00 0.00 C ATOM 1168 OG1 THR A 81 -2.435 -9.191 5.508 1.00 0.00 O ATOM 1169 CG2 THR A 81 -4.546 -8.951 6.466 1.00 0.00 C ATOM 0 H THR A 81 -1.497 -6.315 6.383 1.00 0.00 H new ATOM 0 HA THR A 81 -3.554 -7.287 4.455 1.00 0.00 H new ATOM 0 HB THR A 81 -2.780 -8.039 7.295 1.00 0.00 H new ATOM 0 HG1 THR A 81 -1.981 -9.839 6.086 1.00 0.00 H new ATOM 0 HG21 THR A 81 -4.442 -9.849 7.075 1.00 0.00 H new ATOM 0 HG22 THR A 81 -5.238 -8.262 6.950 1.00 0.00 H new ATOM 0 HG23 THR A 81 -4.932 -9.222 5.484 1.00 0.00 H new ATOM 1177 N LEU A 82 -5.041 -5.465 4.996 1.00 0.00 N ATOM 1178 CA LEU A 82 -6.078 -4.499 5.314 1.00 0.00 C ATOM 1179 C LEU A 82 -7.263 -5.221 5.958 1.00 0.00 C ATOM 1180 O LEU A 82 -8.006 -5.930 5.281 1.00 0.00 O ATOM 1181 CB LEU A 82 -6.454 -3.689 4.071 1.00 0.00 C ATOM 1182 CG LEU A 82 -5.356 -2.791 3.498 1.00 0.00 C ATOM 1183 CD1 LEU A 82 -4.640 -2.023 4.611 1.00 0.00 C ATOM 1184 CD2 LEU A 82 -4.380 -3.598 2.639 1.00 0.00 C ATOM 0 H LEU A 82 -4.945 -5.677 4.003 1.00 0.00 H new ATOM 0 HA LEU A 82 -5.713 -3.774 6.042 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -6.772 -4.382 3.292 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -7.315 -3.066 4.314 1.00 0.00 H new ATOM 0 HG LEU A 82 -5.824 -2.053 2.846 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -3.864 -1.392 4.177 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -5.359 -1.400 5.144 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -4.186 -2.729 5.307 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -3.610 -2.936 2.244 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -3.915 -4.373 3.248 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -4.919 -4.061 1.813 1.00 0.00 H new ATOM 1196 N ASP A 83 -7.402 -5.017 7.260 1.00 0.00 N ATOM 1197 CA ASP A 83 -8.484 -5.640 8.004 1.00 0.00 C ATOM 1198 C ASP A 83 -9.704 -4.716 7.991 1.00 0.00 C ATOM 1199 O ASP A 83 -9.657 -3.628 7.421 1.00 0.00 O ATOM 1200 CB ASP A 83 -8.085 -5.876 9.462 1.00 0.00 C ATOM 1201 CG ASP A 83 -7.254 -4.758 10.094 1.00 0.00 C ATOM 1202 OD1 ASP A 83 -7.627 -3.584 9.883 1.00 0.00 O ATOM 1203 OD2 ASP A 83 -6.263 -5.103 10.774 1.00 0.00 O ATOM 0 H ASP A 83 -6.783 -4.429 7.819 1.00 0.00 H new ATOM 0 HA ASP A 83 -8.711 -6.596 7.533 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -8.990 -6.014 10.053 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -7.520 -6.806 9.522 1.00 0.00 H new ATOM 1208 N ASN A 84 -10.768 -5.186 8.626 1.00 0.00 N ATOM 1209 CA ASN A 84 -11.998 -4.416 8.695 1.00 0.00 C ATOM 1210 C ASN A 84 -12.523 -4.173 7.278 1.00 0.00 C ATOM 1211 O ASN A 84 -12.640 -3.029 6.843 1.00 0.00 O ATOM 1212 CB ASN A 84 -11.760 -3.054 9.350 1.00 0.00 C ATOM 1213 CG ASN A 84 -11.558 -3.200 10.860 1.00 0.00 C ATOM 1214 OD1 ASN A 84 -12.195 -4.002 11.523 1.00 0.00 O ATOM 1215 ND2 ASN A 84 -10.637 -2.383 11.363 1.00 0.00 N ATOM 0 H ASN A 84 -10.803 -6.090 9.097 1.00 0.00 H new ATOM 0 HA ASN A 84 -12.716 -4.981 9.289 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -10.884 -2.581 8.906 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -12.609 -2.399 9.155 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -10.427 -2.404 12.361 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -10.141 -1.736 10.751 1.00 0.00 H new ATOM 1222 N LEU A 85 -12.825 -5.269 6.597 1.00 0.00 N ATOM 1223 CA LEU A 85 -13.334 -5.190 5.239 1.00 0.00 C ATOM 1224 C LEU A 85 -14.689 -5.896 5.165 1.00 0.00 C ATOM 1225 O LEU A 85 -15.129 -6.507 6.137 1.00 0.00 O ATOM 1226 CB LEU A 85 -12.303 -5.733 4.247 1.00 0.00 C ATOM 1227 CG LEU A 85 -10.899 -5.133 4.343 1.00 0.00 C ATOM 1228 CD1 LEU A 85 -9.958 -5.772 3.320 1.00 0.00 C ATOM 1229 CD2 LEU A 85 -10.944 -3.609 4.207 1.00 0.00 C ATOM 0 H LEU A 85 -12.727 -6.217 6.961 1.00 0.00 H new ATOM 0 HA LEU A 85 -13.499 -4.151 4.954 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -12.226 -6.811 4.387 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -12.678 -5.569 3.237 1.00 0.00 H new ATOM 0 HG LEU A 85 -10.499 -5.357 5.332 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -8.967 -5.327 3.410 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -9.893 -6.844 3.506 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -10.343 -5.600 2.315 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -9.933 -3.207 4.279 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -11.373 -3.342 3.241 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -11.558 -3.191 5.004 1.00 0.00 H new ATOM 1241 N LYS A 86 -15.314 -5.787 4.002 1.00 0.00 N ATOM 1242 CA LYS A 86 -16.611 -6.407 3.788 1.00 0.00 C ATOM 1243 C LYS A 86 -16.412 -7.871 3.390 1.00 0.00 C ATOM 1244 O LYS A 86 -15.286 -8.365 3.369 1.00 0.00 O ATOM 1245 CB LYS A 86 -17.430 -5.601 2.778 1.00 0.00 C ATOM 1246 CG LYS A 86 -18.826 -5.293 3.325 1.00 0.00 C ATOM 1247 CD LYS A 86 -19.756 -4.807 2.212 1.00 0.00 C ATOM 1248 CE LYS A 86 -21.166 -5.376 2.388 1.00 0.00 C ATOM 1249 NZ LYS A 86 -21.143 -6.853 2.296 1.00 0.00 N ATOM 0 H LYS A 86 -14.946 -5.279 3.198 1.00 0.00 H new ATOM 0 HA LYS A 86 -17.192 -6.403 4.710 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -16.913 -4.670 2.546 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -17.516 -6.159 1.846 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -19.244 -6.186 3.789 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -18.756 -4.533 4.103 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -19.796 -3.718 2.217 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -19.357 -5.107 1.243 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -21.569 -5.072 3.354 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -21.827 -4.968 1.624 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -22.029 -7.188 1.867 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -20.339 -7.152 1.708 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -21.044 -7.259 3.249 1.00 0.00 H new ATOM 1263 N LYS A 87 -17.524 -8.524 3.085 1.00 0.00 N ATOM 1264 CA LYS A 87 -17.486 -9.922 2.689 1.00 0.00 C ATOM 1265 C LYS A 87 -17.928 -10.046 1.230 1.00 0.00 C ATOM 1266 O LYS A 87 -18.960 -9.500 0.842 1.00 0.00 O ATOM 1267 CB LYS A 87 -18.309 -10.775 3.656 1.00 0.00 C ATOM 1268 CG LYS A 87 -17.916 -10.493 5.108 1.00 0.00 C ATOM 1269 CD LYS A 87 -19.101 -10.715 6.050 1.00 0.00 C ATOM 1270 CE LYS A 87 -18.629 -10.872 7.497 1.00 0.00 C ATOM 1271 NZ LYS A 87 -19.463 -10.055 8.406 1.00 0.00 N ATOM 0 H LYS A 87 -18.457 -8.111 3.104 1.00 0.00 H new ATOM 0 HA LYS A 87 -16.468 -10.308 2.748 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -19.370 -10.568 3.516 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -18.158 -11.831 3.433 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -17.090 -11.143 5.398 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -17.561 -9.466 5.200 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -19.790 -9.874 5.978 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -19.651 -11.605 5.745 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -18.680 -11.920 7.791 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -17.585 -10.568 7.580 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -19.129 -10.173 9.384 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -19.393 -9.053 8.135 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -20.454 -10.363 8.339 1.00 0.00 H new ATOM 1285 N PHE A 88 -17.126 -10.768 0.461 1.00 0.00 N ATOM 1286 CA PHE A 88 -17.422 -10.971 -0.947 1.00 0.00 C ATOM 1287 C PHE A 88 -17.771 -9.647 -1.630 1.00 0.00 C ATOM 1288 O PHE A 88 -18.835 -9.518 -2.234 1.00 0.00 O ATOM 1289 CB PHE A 88 -18.632 -11.904 -1.020 1.00 0.00 C ATOM 1290 CG PHE A 88 -18.958 -12.391 -2.433 1.00 0.00 C ATOM 1291 CD1 PHE A 88 -17.953 -12.649 -3.312 1.00 0.00 C ATOM 1292 CD2 PHE A 88 -20.253 -12.567 -2.810 1.00 0.00 C ATOM 1293 CE1 PHE A 88 -18.256 -13.101 -4.623 1.00 0.00 C ATOM 1294 CE2 PHE A 88 -20.555 -13.020 -4.121 1.00 0.00 C ATOM 1295 CZ PHE A 88 -19.550 -13.277 -5.000 1.00 0.00 C ATOM 0 H PHE A 88 -16.271 -11.220 0.787 1.00 0.00 H new ATOM 0 HA PHE A 88 -16.553 -11.392 -1.453 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -18.450 -12.769 -0.382 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -19.502 -11.386 -0.615 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -16.925 -12.510 -3.013 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -21.051 -12.362 -2.112 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -17.458 -13.305 -5.321 1.00 0.00 H new ATOM 0 HE2 PHE A 88 -21.583 -13.161 -4.420 1.00 0.00 H new ATOM 0 HZ PHE A 88 -19.780 -13.621 -5.998 1.00 0.00 H new ATOM 1305 N ALA A 89 -16.855 -8.697 -1.512 1.00 0.00 N ATOM 1306 CA ALA A 89 -17.053 -7.388 -2.111 1.00 0.00 C ATOM 1307 C ALA A 89 -15.779 -6.973 -2.850 1.00 0.00 C ATOM 1308 O ALA A 89 -14.673 -7.290 -2.416 1.00 0.00 O ATOM 1309 CB ALA A 89 -17.451 -6.385 -1.026 1.00 0.00 C ATOM 0 H ALA A 89 -15.974 -8.808 -1.010 1.00 0.00 H new ATOM 0 HA ALA A 89 -17.863 -7.418 -2.840 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -17.600 -5.403 -1.475 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -18.377 -6.711 -0.551 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -16.661 -6.326 -0.278 1.00 0.00 H new ATOM 1315 N GLN A 90 -15.978 -6.269 -3.955 1.00 0.00 N ATOM 1316 CA GLN A 90 -14.859 -5.807 -4.759 1.00 0.00 C ATOM 1317 C GLN A 90 -14.156 -4.637 -4.068 1.00 0.00 C ATOM 1318 O GLN A 90 -14.761 -3.589 -3.845 1.00 0.00 O ATOM 1319 CB GLN A 90 -15.318 -5.417 -6.165 1.00 0.00 C ATOM 1320 CG GLN A 90 -14.153 -4.869 -6.991 1.00 0.00 C ATOM 1321 CD GLN A 90 -14.608 -3.710 -7.880 1.00 0.00 C ATOM 1322 OE1 GLN A 90 -15.701 -3.185 -7.749 1.00 0.00 O ATOM 1323 NE2 GLN A 90 -13.710 -3.341 -8.789 1.00 0.00 N ATOM 0 H GLN A 90 -16.897 -6.007 -4.312 1.00 0.00 H new ATOM 0 HA GLN A 90 -14.147 -6.626 -4.859 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -15.746 -6.286 -6.665 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -16.106 -4.667 -6.099 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -13.358 -4.531 -6.326 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -13.735 -5.664 -7.609 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -12.813 -3.823 -8.845 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -13.918 -2.576 -9.430 1.00 0.00 H new ATOM 1332 N TYR A 91 -12.889 -4.854 -3.748 1.00 0.00 N ATOM 1333 CA TYR A 91 -12.098 -3.831 -3.086 1.00 0.00 C ATOM 1334 C TYR A 91 -10.812 -3.543 -3.865 1.00 0.00 C ATOM 1335 O TYR A 91 -10.075 -4.464 -4.215 1.00 0.00 O ATOM 1336 CB TYR A 91 -11.732 -4.402 -1.715 1.00 0.00 C ATOM 1337 CG TYR A 91 -12.560 -3.830 -0.562 1.00 0.00 C ATOM 1338 CD1 TYR A 91 -12.237 -2.600 -0.025 1.00 0.00 C ATOM 1339 CD2 TYR A 91 -13.629 -4.544 -0.060 1.00 0.00 C ATOM 1340 CE1 TYR A 91 -13.017 -2.062 1.060 1.00 0.00 C ATOM 1341 CE2 TYR A 91 -14.408 -4.006 1.025 1.00 0.00 C ATOM 1342 CZ TYR A 91 -14.063 -2.791 1.532 1.00 0.00 C ATOM 1343 OH TYR A 91 -14.799 -2.283 2.556 1.00 0.00 O ATOM 0 H TYR A 91 -12.390 -5.724 -3.935 1.00 0.00 H new ATOM 0 HA TYR A 91 -12.659 -2.899 -3.014 1.00 0.00 H new ATOM 0 HB2 TYR A 91 -11.859 -5.484 -1.738 1.00 0.00 H new ATOM 0 HB3 TYR A 91 -10.677 -4.209 -1.522 1.00 0.00 H new ATOM 0 HD1 TYR A 91 -11.400 -2.042 -0.418 1.00 0.00 H new ATOM 0 HD2 TYR A 91 -13.881 -5.506 -0.481 1.00 0.00 H new ATOM 0 HE1 TYR A 91 -12.776 -1.101 1.489 1.00 0.00 H new ATOM 0 HE2 TYR A 91 -15.247 -4.554 1.427 1.00 0.00 H new ATOM 0 HH TYR A 91 -15.543 -2.889 2.757 1.00 0.00 H new ATOM 1353 N GLY A 92 -10.583 -2.262 -4.113 1.00 0.00 N ATOM 1354 CA GLY A 92 -9.400 -1.841 -4.844 1.00 0.00 C ATOM 1355 C GLY A 92 -8.379 -1.191 -3.907 1.00 0.00 C ATOM 1356 O GLY A 92 -8.741 -0.375 -3.061 1.00 0.00 O ATOM 0 H GLY A 92 -11.197 -1.502 -3.821 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -8.949 -2.701 -5.339 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -9.683 -1.136 -5.625 1.00 0.00 H new ATOM 1360 N VAL A 93 -7.125 -1.576 -4.091 1.00 0.00 N ATOM 1361 CA VAL A 93 -6.050 -1.041 -3.273 1.00 0.00 C ATOM 1362 C VAL A 93 -4.887 -0.625 -4.176 1.00 0.00 C ATOM 1363 O VAL A 93 -4.710 -1.178 -5.261 1.00 0.00 O ATOM 1364 CB VAL A 93 -5.645 -2.061 -2.208 1.00 0.00 C ATOM 1365 CG1 VAL A 93 -4.656 -1.451 -1.212 1.00 0.00 C ATOM 1366 CG2 VAL A 93 -6.874 -2.620 -1.488 1.00 0.00 C ATOM 0 H VAL A 93 -6.829 -2.252 -4.795 1.00 0.00 H new ATOM 0 HA VAL A 93 -6.383 -0.150 -2.740 1.00 0.00 H new ATOM 0 HB VAL A 93 -5.146 -2.889 -2.711 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -4.384 -2.197 -0.465 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -3.761 -1.125 -1.742 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -5.117 -0.596 -0.719 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -6.558 -3.343 -0.736 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -7.414 -1.806 -1.004 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -7.527 -3.110 -2.210 1.00 0.00 H new ATOM 1376 N VAL A 94 -4.124 0.345 -3.695 1.00 0.00 N ATOM 1377 CA VAL A 94 -2.983 0.842 -4.445 1.00 0.00 C ATOM 1378 C VAL A 94 -1.803 1.048 -3.493 1.00 0.00 C ATOM 1379 O VAL A 94 -1.893 1.831 -2.548 1.00 0.00 O ATOM 1380 CB VAL A 94 -3.368 2.113 -5.204 1.00 0.00 C ATOM 1381 CG1 VAL A 94 -4.106 1.775 -6.501 1.00 0.00 C ATOM 1382 CG2 VAL A 94 -4.204 3.045 -4.324 1.00 0.00 C ATOM 0 H VAL A 94 -4.273 0.800 -2.795 1.00 0.00 H new ATOM 0 HA VAL A 94 -2.673 0.114 -5.195 1.00 0.00 H new ATOM 0 HB VAL A 94 -2.449 2.637 -5.468 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -4.368 2.696 -7.021 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -3.462 1.169 -7.139 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -5.014 1.219 -6.269 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -4.464 3.941 -4.888 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -5.115 2.533 -4.015 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -3.629 3.326 -3.442 1.00 0.00 H new ATOM 1392 N VAL A 95 -0.724 0.333 -3.775 1.00 0.00 N ATOM 1393 CA VAL A 95 0.472 0.428 -2.955 1.00 0.00 C ATOM 1394 C VAL A 95 1.406 1.486 -3.545 1.00 0.00 C ATOM 1395 O VAL A 95 1.474 1.651 -4.762 1.00 0.00 O ATOM 1396 CB VAL A 95 1.131 -0.947 -2.829 1.00 0.00 C ATOM 1397 CG1 VAL A 95 2.250 -0.926 -1.786 1.00 0.00 C ATOM 1398 CG2 VAL A 95 0.095 -2.024 -2.500 1.00 0.00 C ATOM 0 H VAL A 95 -0.653 -0.315 -4.560 1.00 0.00 H new ATOM 0 HA VAL A 95 0.218 0.746 -1.944 1.00 0.00 H new ATOM 0 HB VAL A 95 1.576 -1.194 -3.793 1.00 0.00 H new ATOM 0 HG11 VAL A 95 2.701 -1.916 -1.717 1.00 0.00 H new ATOM 0 HG12 VAL A 95 3.009 -0.201 -2.081 1.00 0.00 H new ATOM 0 HG13 VAL A 95 1.838 -0.646 -0.816 1.00 0.00 H new ATOM 0 HG21 VAL A 95 0.590 -2.991 -2.416 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -0.393 -1.783 -1.556 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -0.651 -2.066 -3.294 1.00 0.00 H new ATOM 1408 N GLN A 96 2.103 2.177 -2.654 1.00 0.00 N ATOM 1409 CA GLN A 96 3.030 3.215 -3.071 1.00 0.00 C ATOM 1410 C GLN A 96 4.142 3.381 -2.033 1.00 0.00 C ATOM 1411 O GLN A 96 3.889 3.317 -0.831 1.00 0.00 O ATOM 1412 CB GLN A 96 2.300 4.539 -3.309 1.00 0.00 C ATOM 1413 CG GLN A 96 1.114 4.690 -2.354 1.00 0.00 C ATOM 1414 CD GLN A 96 0.277 5.920 -2.711 1.00 0.00 C ATOM 1415 OE1 GLN A 96 -0.936 5.863 -2.831 1.00 0.00 O ATOM 1416 NE2 GLN A 96 0.989 7.031 -2.872 1.00 0.00 N ATOM 0 H GLN A 96 2.044 2.038 -1.645 1.00 0.00 H new ATOM 0 HA GLN A 96 3.483 2.913 -4.015 1.00 0.00 H new ATOM 0 HB2 GLN A 96 2.992 5.370 -3.170 1.00 0.00 H new ATOM 0 HB3 GLN A 96 1.950 4.585 -4.340 1.00 0.00 H new ATOM 0 HG2 GLN A 96 0.491 3.797 -2.398 1.00 0.00 H new ATOM 0 HG3 GLN A 96 1.476 4.777 -1.330 1.00 0.00 H new ATOM 0 HE21 GLN A 96 2.002 7.009 -2.757 1.00 0.00 H new ATOM 0 HE22 GLN A 96 0.522 7.906 -3.111 1.00 0.00 H new ATOM 1425 N ALA A 97 5.350 3.591 -2.536 1.00 0.00 N ATOM 1426 CA ALA A 97 6.502 3.766 -1.668 1.00 0.00 C ATOM 1427 C ALA A 97 6.686 5.255 -1.368 1.00 0.00 C ATOM 1428 O ALA A 97 6.658 6.084 -2.276 1.00 0.00 O ATOM 1429 CB ALA A 97 7.737 3.147 -2.326 1.00 0.00 C ATOM 0 H ALA A 97 5.556 3.644 -3.534 1.00 0.00 H new ATOM 0 HA ALA A 97 6.348 3.254 -0.718 1.00 0.00 H new ATOM 0 HB1 ALA A 97 8.601 3.279 -1.674 1.00 0.00 H new ATOM 0 HB2 ALA A 97 7.566 2.083 -2.492 1.00 0.00 H new ATOM 0 HB3 ALA A 97 7.925 3.638 -3.281 1.00 0.00 H new ATOM 1435 N PHE A 98 6.871 5.550 -0.089 1.00 0.00 N ATOM 1436 CA PHE A 98 7.060 6.924 0.343 1.00 0.00 C ATOM 1437 C PHE A 98 8.361 7.076 1.133 1.00 0.00 C ATOM 1438 O PHE A 98 8.689 6.231 1.965 1.00 0.00 O ATOM 1439 CB PHE A 98 5.881 7.273 1.252 1.00 0.00 C ATOM 1440 CG PHE A 98 6.064 6.832 2.706 1.00 0.00 C ATOM 1441 CD1 PHE A 98 6.993 7.441 3.490 1.00 0.00 C ATOM 1442 CD2 PHE A 98 5.297 5.830 3.214 1.00 0.00 C ATOM 1443 CE1 PHE A 98 7.163 7.031 4.838 1.00 0.00 C ATOM 1444 CE2 PHE A 98 5.466 5.420 4.563 1.00 0.00 C ATOM 1445 CZ PHE A 98 6.396 6.030 5.347 1.00 0.00 C ATOM 0 H PHE A 98 6.894 4.860 0.662 1.00 0.00 H new ATOM 0 HA PHE A 98 7.114 7.583 -0.524 1.00 0.00 H new ATOM 0 HB2 PHE A 98 5.723 8.351 1.227 1.00 0.00 H new ATOM 0 HB3 PHE A 98 4.979 6.810 0.853 1.00 0.00 H new ATOM 0 HD1 PHE A 98 7.602 8.237 3.087 1.00 0.00 H new ATOM 0 HD2 PHE A 98 4.559 5.346 2.591 1.00 0.00 H new ATOM 0 HE1 PHE A 98 7.902 7.514 5.460 1.00 0.00 H new ATOM 0 HE2 PHE A 98 4.857 4.625 4.966 1.00 0.00 H new ATOM 0 HZ PHE A 98 6.525 5.719 6.373 1.00 0.00 H new ATOM 1455 N ASN A 99 9.068 8.160 0.846 1.00 0.00 N ATOM 1456 CA ASN A 99 10.325 8.434 1.520 1.00 0.00 C ATOM 1457 C ASN A 99 10.253 9.810 2.186 1.00 0.00 C ATOM 1458 O ASN A 99 9.246 10.506 2.072 1.00 0.00 O ATOM 1459 CB ASN A 99 11.490 8.449 0.528 1.00 0.00 C ATOM 1460 CG ASN A 99 11.188 7.567 -0.686 1.00 0.00 C ATOM 1461 OD1 ASN A 99 10.404 6.634 -0.628 1.00 0.00 O ATOM 1462 ND2 ASN A 99 11.853 7.913 -1.784 1.00 0.00 N ATOM 0 H ASN A 99 8.793 8.859 0.155 1.00 0.00 H new ATOM 0 HA ASN A 99 10.490 7.649 2.258 1.00 0.00 H new ATOM 0 HB2 ASN A 99 11.681 9.471 0.201 1.00 0.00 H new ATOM 0 HB3 ASN A 99 12.397 8.098 1.021 1.00 0.00 H new ATOM 0 HD21 ASN A 99 11.722 7.386 -2.647 1.00 0.00 H new ATOM 0 HD22 ASN A 99 12.495 8.706 -1.763 1.00 0.00 H new ATOM 1469 N ARG A 100 11.335 10.160 2.866 1.00 0.00 N ATOM 1470 CA ARG A 100 11.407 11.440 3.549 1.00 0.00 C ATOM 1471 C ARG A 100 11.347 12.586 2.538 1.00 0.00 C ATOM 1472 O ARG A 100 10.911 13.688 2.869 1.00 0.00 O ATOM 1473 CB ARG A 100 12.696 11.556 4.366 1.00 0.00 C ATOM 1474 CG ARG A 100 12.425 11.330 5.854 1.00 0.00 C ATOM 1475 CD ARG A 100 11.987 12.629 6.535 1.00 0.00 C ATOM 1476 NE ARG A 100 13.171 13.359 7.040 1.00 0.00 N ATOM 1477 CZ ARG A 100 13.152 14.641 7.432 1.00 0.00 C ATOM 1478 NH1 ARG A 100 12.011 15.341 7.380 1.00 0.00 N ATOM 1479 NH2 ARG A 100 14.275 15.222 7.876 1.00 0.00 N ATOM 0 H ARG A 100 12.169 9.579 2.958 1.00 0.00 H new ATOM 0 HA ARG A 100 10.554 11.503 4.225 1.00 0.00 H new ATOM 0 HB2 ARG A 100 13.423 10.826 4.010 1.00 0.00 H new ATOM 0 HB3 ARG A 100 13.136 12.542 4.219 1.00 0.00 H new ATOM 0 HG2 ARG A 100 11.651 10.573 5.975 1.00 0.00 H new ATOM 0 HG3 ARG A 100 13.324 10.947 6.337 1.00 0.00 H new ATOM 0 HD2 ARG A 100 11.439 13.253 5.829 1.00 0.00 H new ATOM 0 HD3 ARG A 100 11.308 12.407 7.358 1.00 0.00 H new ATOM 0 HE ARG A 100 14.057 12.856 7.093 1.00 0.00 H new ATOM 0 HH11 ARG A 100 11.156 14.899 7.042 1.00 0.00 H new ATOM 0 HH12 ARG A 100 11.997 16.316 7.678 1.00 0.00 H new ATOM 0 HH21 ARG A 100 15.144 14.689 7.916 1.00 0.00 H new ATOM 0 HH22 ARG A 100 14.261 16.197 8.174 1.00 0.00 H new ATOM 1493 N ALA A 101 11.790 12.288 1.326 1.00 0.00 N ATOM 1494 CA ALA A 101 11.792 13.279 0.264 1.00 0.00 C ATOM 1495 C ALA A 101 10.355 13.521 -0.204 1.00 0.00 C ATOM 1496 O ALA A 101 10.038 14.594 -0.717 1.00 0.00 O ATOM 1497 CB ALA A 101 12.704 12.811 -0.871 1.00 0.00 C ATOM 0 H ALA A 101 12.151 11.373 1.056 1.00 0.00 H new ATOM 0 HA ALA A 101 12.185 14.229 0.626 1.00 0.00 H new ATOM 0 HB1 ALA A 101 12.705 13.555 -1.667 1.00 0.00 H new ATOM 0 HB2 ALA A 101 13.718 12.683 -0.493 1.00 0.00 H new ATOM 0 HB3 ALA A 101 12.340 11.861 -1.262 1.00 0.00 H new ATOM 1503 N GLY A 102 9.525 12.507 -0.011 1.00 0.00 N ATOM 1504 CA GLY A 102 8.130 12.596 -0.407 1.00 0.00 C ATOM 1505 C GLY A 102 7.587 11.225 -0.814 1.00 0.00 C ATOM 1506 O GLY A 102 8.257 10.210 -0.634 1.00 0.00 O ATOM 0 H GLY A 102 9.792 11.619 0.415 1.00 0.00 H new ATOM 0 HA2 GLY A 102 7.539 12.995 0.417 1.00 0.00 H new ATOM 0 HA3 GLY A 102 8.028 13.293 -1.239 1.00 0.00 H new ATOM 1510 N THR A 103 6.377 11.240 -1.355 1.00 0.00 N ATOM 1511 CA THR A 103 5.737 10.010 -1.789 1.00 0.00 C ATOM 1512 C THR A 103 5.767 9.902 -3.315 1.00 0.00 C ATOM 1513 O THR A 103 5.717 10.914 -4.013 1.00 0.00 O ATOM 1514 CB THR A 103 4.322 9.982 -1.206 1.00 0.00 C ATOM 1515 OG1 THR A 103 4.519 10.181 0.192 1.00 0.00 O ATOM 1516 CG2 THR A 103 3.678 8.598 -1.298 1.00 0.00 C ATOM 0 H THR A 103 5.824 12.084 -1.502 1.00 0.00 H new ATOM 0 HA THR A 103 6.273 9.135 -1.422 1.00 0.00 H new ATOM 0 HB THR A 103 3.699 10.707 -1.730 1.00 0.00 H new ATOM 0 HG1 THR A 103 3.652 10.179 0.648 1.00 0.00 H new ATOM 0 HG21 THR A 103 2.676 8.634 -0.871 1.00 0.00 H new ATOM 0 HG22 THR A 103 3.616 8.294 -2.343 1.00 0.00 H new ATOM 0 HG23 THR A 103 4.282 7.878 -0.746 1.00 0.00 H new ATOM 1524 N GLY A 104 5.849 8.667 -3.787 1.00 0.00 N ATOM 1525 CA GLY A 104 5.887 8.414 -5.218 1.00 0.00 C ATOM 1526 C GLY A 104 4.519 7.961 -5.731 1.00 0.00 C ATOM 1527 O GLY A 104 3.533 7.999 -4.996 1.00 0.00 O ATOM 0 H GLY A 104 5.890 7.831 -3.205 1.00 0.00 H new ATOM 0 HA2 GLY A 104 6.195 9.318 -5.743 1.00 0.00 H new ATOM 0 HA3 GLY A 104 6.633 7.649 -5.436 1.00 0.00 H new ATOM 1531 N PRO A 105 4.502 7.533 -7.021 1.00 0.00 N ATOM 1532 CA PRO A 105 3.271 7.073 -7.641 1.00 0.00 C ATOM 1533 C PRO A 105 2.890 5.679 -7.137 1.00 0.00 C ATOM 1534 O PRO A 105 3.744 4.935 -6.656 1.00 0.00 O ATOM 1535 CB PRO A 105 3.545 7.109 -9.136 1.00 0.00 C ATOM 1536 CG PRO A 105 5.058 7.141 -9.281 1.00 0.00 C ATOM 1537 CD PRO A 105 5.650 7.474 -7.921 1.00 0.00 C ATOM 0 HA PRO A 105 2.415 7.700 -7.391 1.00 0.00 H new ATOM 0 HB2 PRO A 105 3.123 6.235 -9.632 1.00 0.00 H new ATOM 0 HB3 PRO A 105 3.090 7.986 -9.596 1.00 0.00 H new ATOM 0 HG2 PRO A 105 5.428 6.178 -9.633 1.00 0.00 H new ATOM 0 HG3 PRO A 105 5.355 7.886 -10.019 1.00 0.00 H new ATOM 0 HD2 PRO A 105 6.364 6.714 -7.603 1.00 0.00 H new ATOM 0 HD3 PRO A 105 6.185 8.424 -7.944 1.00 0.00 H new ATOM 1545 N SER A 106 1.609 5.369 -7.264 1.00 0.00 N ATOM 1546 CA SER A 106 1.105 4.078 -6.827 1.00 0.00 C ATOM 1547 C SER A 106 0.969 3.136 -8.025 1.00 0.00 C ATOM 1548 O SER A 106 1.015 3.576 -9.173 1.00 0.00 O ATOM 1549 CB SER A 106 -0.240 4.224 -6.112 1.00 0.00 C ATOM 1550 OG SER A 106 -0.296 5.406 -5.317 1.00 0.00 O ATOM 0 H SER A 106 0.904 5.989 -7.663 1.00 0.00 H new ATOM 0 HA SER A 106 1.818 3.655 -6.119 1.00 0.00 H new ATOM 0 HB2 SER A 106 -1.042 4.245 -6.849 1.00 0.00 H new ATOM 0 HB3 SER A 106 -0.411 3.353 -5.479 1.00 0.00 H new ATOM 0 HG SER A 106 -0.884 5.255 -4.548 1.00 0.00 H new ATOM 1556 N SER A 107 0.803 1.858 -7.717 1.00 0.00 N ATOM 1557 CA SER A 107 0.660 0.851 -8.755 1.00 0.00 C ATOM 1558 C SER A 107 -0.775 0.846 -9.285 1.00 0.00 C ATOM 1559 O SER A 107 -1.666 1.440 -8.680 1.00 0.00 O ATOM 1560 CB SER A 107 1.038 -0.536 -8.232 1.00 0.00 C ATOM 1561 OG SER A 107 0.218 -0.935 -7.136 1.00 0.00 O ATOM 0 H SER A 107 0.764 1.497 -6.764 1.00 0.00 H new ATOM 0 HA SER A 107 1.340 1.100 -9.570 1.00 0.00 H new ATOM 0 HB2 SER A 107 0.946 -1.265 -9.037 1.00 0.00 H new ATOM 0 HB3 SER A 107 2.083 -0.534 -7.921 1.00 0.00 H new ATOM 0 HG SER A 107 -0.578 -1.396 -7.474 1.00 0.00 H new ATOM 1567 N SER A 108 -0.954 0.169 -10.409 1.00 0.00 N ATOM 1568 CA SER A 108 -2.266 0.078 -11.028 1.00 0.00 C ATOM 1569 C SER A 108 -3.303 -0.363 -9.993 1.00 0.00 C ATOM 1570 O SER A 108 -2.960 -0.994 -8.994 1.00 0.00 O ATOM 1571 CB SER A 108 -2.252 -0.891 -12.211 1.00 0.00 C ATOM 1572 OG SER A 108 -1.996 -2.231 -11.800 1.00 0.00 O ATOM 0 H SER A 108 -0.212 -0.322 -10.908 1.00 0.00 H new ATOM 0 HA SER A 108 -2.535 1.065 -11.405 1.00 0.00 H new ATOM 0 HB2 SER A 108 -3.211 -0.847 -12.727 1.00 0.00 H new ATOM 0 HB3 SER A 108 -1.491 -0.579 -12.926 1.00 0.00 H new ATOM 0 HG SER A 108 -1.997 -2.819 -12.584 1.00 0.00 H new ATOM 1578 N GLU A 109 -4.551 -0.013 -10.267 1.00 0.00 N ATOM 1579 CA GLU A 109 -5.641 -0.365 -9.372 1.00 0.00 C ATOM 1580 C GLU A 109 -6.058 -1.821 -9.590 1.00 0.00 C ATOM 1581 O GLU A 109 -6.504 -2.186 -10.676 1.00 0.00 O ATOM 1582 CB GLU A 109 -6.830 0.580 -9.557 1.00 0.00 C ATOM 1583 CG GLU A 109 -7.906 0.320 -8.502 1.00 0.00 C ATOM 1584 CD GLU A 109 -9.188 1.091 -8.825 1.00 0.00 C ATOM 1585 OE1 GLU A 109 -9.097 2.336 -8.903 1.00 0.00 O ATOM 1586 OE2 GLU A 109 -10.229 0.419 -8.986 1.00 0.00 O ATOM 0 H GLU A 109 -4.832 0.511 -11.096 1.00 0.00 H new ATOM 0 HA GLU A 109 -5.291 -0.258 -8.345 1.00 0.00 H new ATOM 0 HB2 GLU A 109 -6.491 1.614 -9.489 1.00 0.00 H new ATOM 0 HB3 GLU A 109 -7.253 0.448 -10.553 1.00 0.00 H new ATOM 0 HG2 GLU A 109 -8.122 -0.747 -8.453 1.00 0.00 H new ATOM 0 HG3 GLU A 109 -7.537 0.616 -7.520 1.00 0.00 H new ATOM 1593 N ILE A 110 -5.897 -2.612 -8.540 1.00 0.00 N ATOM 1594 CA ILE A 110 -6.252 -4.020 -8.603 1.00 0.00 C ATOM 1595 C ILE A 110 -7.498 -4.266 -7.751 1.00 0.00 C ATOM 1596 O ILE A 110 -8.121 -3.322 -7.267 1.00 0.00 O ATOM 1597 CB ILE A 110 -5.057 -4.891 -8.211 1.00 0.00 C ATOM 1598 CG1 ILE A 110 -4.087 -4.120 -7.313 1.00 0.00 C ATOM 1599 CG2 ILE A 110 -4.362 -5.460 -9.450 1.00 0.00 C ATOM 1600 CD1 ILE A 110 -2.835 -4.949 -7.018 1.00 0.00 C ATOM 0 H ILE A 110 -5.526 -2.305 -7.641 1.00 0.00 H new ATOM 0 HA ILE A 110 -6.503 -4.305 -9.625 1.00 0.00 H new ATOM 0 HB ILE A 110 -5.427 -5.738 -7.633 1.00 0.00 H new ATOM 0 HG12 ILE A 110 -3.803 -3.185 -7.797 1.00 0.00 H new ATOM 0 HG13 ILE A 110 -4.582 -3.857 -6.378 1.00 0.00 H new ATOM 0 HG21 ILE A 110 -3.516 -6.075 -9.143 1.00 0.00 H new ATOM 0 HG22 ILE A 110 -5.067 -6.069 -10.015 1.00 0.00 H new ATOM 0 HG23 ILE A 110 -4.007 -4.641 -10.076 1.00 0.00 H new ATOM 0 HD11 ILE A 110 -2.163 -4.378 -6.378 1.00 0.00 H new ATOM 0 HD12 ILE A 110 -3.120 -5.872 -6.513 1.00 0.00 H new ATOM 0 HD13 ILE A 110 -2.329 -5.189 -7.953 1.00 0.00 H new ATOM 1612 N ASN A 111 -7.826 -5.540 -7.593 1.00 0.00 N ATOM 1613 CA ASN A 111 -8.987 -5.923 -6.808 1.00 0.00 C ATOM 1614 C ASN A 111 -8.767 -7.322 -6.228 1.00 0.00 C ATOM 1615 O ASN A 111 -7.872 -8.044 -6.663 1.00 0.00 O ATOM 1616 CB ASN A 111 -10.248 -5.962 -7.673 1.00 0.00 C ATOM 1617 CG ASN A 111 -10.688 -4.551 -8.066 1.00 0.00 C ATOM 1618 OD1 ASN A 111 -11.560 -3.952 -7.458 1.00 0.00 O ATOM 1619 ND2 ASN A 111 -10.037 -4.054 -9.114 1.00 0.00 N ATOM 0 H ASN A 111 -7.307 -6.321 -7.996 1.00 0.00 H new ATOM 0 HA ASN A 111 -9.116 -5.186 -6.016 1.00 0.00 H new ATOM 0 HB2 ASN A 111 -10.059 -6.551 -8.571 1.00 0.00 H new ATOM 0 HB3 ASN A 111 -11.051 -6.459 -7.129 1.00 0.00 H new ATOM 0 HD21 ASN A 111 -10.257 -3.118 -9.454 1.00 0.00 H new ATOM 0 HD22 ASN A 111 -9.317 -4.609 -9.577 1.00 0.00 H new ATOM 1626 N ALA A 112 -9.600 -7.662 -5.256 1.00 0.00 N ATOM 1627 CA ALA A 112 -9.508 -8.962 -4.612 1.00 0.00 C ATOM 1628 C ALA A 112 -10.795 -9.231 -3.830 1.00 0.00 C ATOM 1629 O ALA A 112 -10.787 -9.244 -2.600 1.00 0.00 O ATOM 1630 CB ALA A 112 -8.265 -9.004 -3.721 1.00 0.00 C ATOM 0 H ALA A 112 -10.342 -7.060 -4.898 1.00 0.00 H new ATOM 0 HA ALA A 112 -9.403 -9.752 -5.356 1.00 0.00 H new ATOM 0 HB1 ALA A 112 -8.196 -9.979 -3.238 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -7.376 -8.837 -4.329 1.00 0.00 H new ATOM 0 HB3 ALA A 112 -8.336 -8.227 -2.960 1.00 0.00 H new ATOM 1636 N THR A 113 -11.870 -9.440 -4.576 1.00 0.00 N ATOM 1637 CA THR A 113 -13.162 -9.709 -3.968 1.00 0.00 C ATOM 1638 C THR A 113 -12.999 -10.617 -2.748 1.00 0.00 C ATOM 1639 O THR A 113 -12.624 -11.781 -2.882 1.00 0.00 O ATOM 1640 CB THR A 113 -14.078 -10.295 -5.044 1.00 0.00 C ATOM 1641 OG1 THR A 113 -13.960 -9.386 -6.135 1.00 0.00 O ATOM 1642 CG2 THR A 113 -15.557 -10.222 -4.658 1.00 0.00 C ATOM 0 H THR A 113 -11.873 -9.428 -5.596 1.00 0.00 H new ATOM 0 HA THR A 113 -13.621 -8.794 -3.593 1.00 0.00 H new ATOM 0 HB THR A 113 -13.801 -11.333 -5.229 1.00 0.00 H new ATOM 0 HG1 THR A 113 -14.521 -9.692 -6.878 1.00 0.00 H new ATOM 0 HG21 THR A 113 -16.163 -10.651 -5.456 1.00 0.00 H new ATOM 0 HG22 THR A 113 -15.721 -10.782 -3.737 1.00 0.00 H new ATOM 0 HG23 THR A 113 -15.842 -9.181 -4.505 1.00 0.00 H new ATOM 1650 N THR A 114 -13.289 -10.051 -1.586 1.00 0.00 N ATOM 1651 CA THR A 114 -13.179 -10.795 -0.343 1.00 0.00 C ATOM 1652 C THR A 114 -13.868 -12.154 -0.472 1.00 0.00 C ATOM 1653 O THR A 114 -14.470 -12.454 -1.503 1.00 0.00 O ATOM 1654 CB THR A 114 -13.752 -9.928 0.780 1.00 0.00 C ATOM 1655 OG1 THR A 114 -14.893 -9.308 0.192 1.00 0.00 O ATOM 1656 CG2 THR A 114 -12.836 -8.756 1.141 1.00 0.00 C ATOM 0 H THR A 114 -13.600 -9.086 -1.479 1.00 0.00 H new ATOM 0 HA THR A 114 -12.138 -11.015 -0.105 1.00 0.00 H new ATOM 0 HB THR A 114 -13.919 -10.543 1.664 1.00 0.00 H new ATOM 0 HG1 THR A 114 -15.398 -8.830 0.883 1.00 0.00 H new ATOM 0 HG21 THR A 114 -13.290 -8.173 1.943 1.00 0.00 H new ATOM 0 HG22 THR A 114 -11.870 -9.138 1.472 1.00 0.00 H new ATOM 0 HG23 THR A 114 -12.695 -8.121 0.266 1.00 0.00 H new ATOM 1664 N LEU A 115 -13.757 -12.942 0.587 1.00 0.00 N ATOM 1665 CA LEU A 115 -14.362 -14.263 0.605 1.00 0.00 C ATOM 1666 C LEU A 115 -15.834 -14.140 1.006 1.00 0.00 C ATOM 1667 O LEU A 115 -16.203 -13.236 1.754 1.00 0.00 O ATOM 1668 CB LEU A 115 -13.558 -15.208 1.499 1.00 0.00 C ATOM 1669 CG LEU A 115 -12.059 -15.295 1.207 1.00 0.00 C ATOM 1670 CD1 LEU A 115 -11.398 -16.386 2.052 1.00 0.00 C ATOM 1671 CD2 LEU A 115 -11.802 -15.494 -0.288 1.00 0.00 C ATOM 0 H LEU A 115 -13.257 -12.691 1.440 1.00 0.00 H new ATOM 0 HA LEU A 115 -14.339 -14.706 -0.390 1.00 0.00 H new ATOM 0 HB2 LEU A 115 -13.688 -14.895 2.535 1.00 0.00 H new ATOM 0 HB3 LEU A 115 -13.983 -16.208 1.412 1.00 0.00 H new ATOM 0 HG LEU A 115 -11.601 -14.347 1.489 1.00 0.00 H new ATOM 0 HD11 LEU A 115 -10.333 -16.427 1.825 1.00 0.00 H new ATOM 0 HD12 LEU A 115 -11.535 -16.160 3.110 1.00 0.00 H new ATOM 0 HD13 LEU A 115 -11.855 -17.349 1.824 1.00 0.00 H new ATOM 0 HD21 LEU A 115 -10.729 -15.553 -0.468 1.00 0.00 H new ATOM 0 HD22 LEU A 115 -12.276 -16.418 -0.619 1.00 0.00 H new ATOM 0 HD23 LEU A 115 -12.218 -14.653 -0.844 1.00 0.00 H new