USER MOD reduce.3.24.130724 H: found=0, std=0, add=741, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 742 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 37 SER OG : rot 117:sc= 0.63 USER MOD Set 1.2: A 87 TYR OH : rot -80:sc= 1.25 USER MOD Set 2.1: A 84 SER OG : rot 15:sc= 0.0757 USER MOD Set 2.2: A 95 SER OG : rot -149:sc= -0.543 USER MOD Set 3.1: A 64 ASN :FLIP amide:sc= -0.314 F(o=-3.4!,f=-0.52) USER MOD Set 3.2: A 68 THR OG1 : rot 180:sc= -0.203 USER MOD Set 3.3: A 70 THR OG1 : rot 180:sc= 0 USER MOD Set 4.1: A 60 ASN :FLIP amide:sc= -0.428 F(o=-3.4!,f=-1.1) USER MOD Set 4.2: A 72 THR OG1 : rot 180:sc= -0.698 USER MOD Single : A 12 SER OG : rot 180:sc= -0.0548 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 31 GLN : amide:sc= -5.11! C(o=-5.1!,f=-4.8!) USER MOD Single : A 32 SER OG : rot 39:sc= 0.00282 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 HIS :FLIP no HD1:sc= -2.73! C(o=-5!,f=-2.7!) USER MOD Single : A 73 TYR OH : rot -9:sc= 0.535 USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 77 GLN : amide:sc= -0.967 K(o=-0.97,f=-1.7!) USER MOD Single : A 81 TYR OH : rot 180:sc= -0.266 USER MOD Single : A 82 MET CE :methyl 169:sc= 0 (180deg=-0.0138) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 LYS NZ :NH3+ -123:sc= -0.538 (180deg=-2.39!) USER MOD Single : A 104 THR OG1 : rot 6:sc= -1.11 USER MOD Single : A 105 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 82 N VAL A 9 1.504 20.534 4.848 1.00 0.00 N ATOM 83 CA VAL A 9 1.437 19.121 4.497 1.00 0.00 C ATOM 84 C VAL A 9 0.076 18.530 4.849 1.00 0.00 C ATOM 85 O VAL A 9 -0.444 18.753 5.943 1.00 0.00 O ATOM 86 CB VAL A 9 2.535 18.312 5.213 1.00 0.00 C ATOM 87 CG1 VAL A 9 2.310 16.820 5.021 1.00 0.00 C ATOM 88 CG2 VAL A 9 3.911 18.721 4.708 1.00 0.00 C ATOM 0 HA VAL A 9 1.591 19.056 3.420 1.00 0.00 H new ATOM 0 HB VAL A 9 2.485 18.528 6.280 1.00 0.00 H new ATOM 0 HG11 VAL A 9 3.095 16.265 5.534 1.00 0.00 H new ATOM 0 HG12 VAL A 9 1.340 16.542 5.434 1.00 0.00 H new ATOM 0 HG13 VAL A 9 2.333 16.582 3.957 1.00 0.00 H new ATOM 0 HG21 VAL A 9 4.675 18.140 5.224 1.00 0.00 H new ATOM 0 HG22 VAL A 9 3.975 18.534 3.636 1.00 0.00 H new ATOM 0 HG23 VAL A 9 4.069 19.782 4.902 1.00 0.00 H new ATOM 98 N ASP A 10 -0.496 17.778 3.915 1.00 0.00 N ATOM 99 CA ASP A 10 -1.796 17.154 4.126 1.00 0.00 C ATOM 100 C ASP A 10 -1.753 15.672 3.765 1.00 0.00 C ATOM 101 O ASP A 10 -1.886 15.287 2.604 1.00 0.00 O ATOM 102 CB ASP A 10 -2.867 17.863 3.295 1.00 0.00 C ATOM 103 CG ASP A 10 -3.056 19.309 3.707 1.00 0.00 C ATOM 104 OD1 ASP A 10 -2.039 20.011 3.891 1.00 0.00 O ATOM 105 OD2 ASP A 10 -4.220 19.739 3.848 1.00 0.00 O ATOM 0 H ASP A 10 -0.079 17.586 3.004 1.00 0.00 H new ATOM 0 HA ASP A 10 -2.048 17.245 5.183 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -2.592 17.822 2.241 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -3.813 17.332 3.398 1.00 0.00 H new ATOM 110 N PRO A 11 -1.561 14.820 4.784 1.00 0.00 N ATOM 111 CA PRO A 11 -1.495 13.368 4.599 1.00 0.00 C ATOM 112 C PRO A 11 -2.847 12.769 4.224 1.00 0.00 C ATOM 113 O PRO A 11 -2.970 11.559 4.036 1.00 0.00 O ATOM 114 CB PRO A 11 -1.045 12.855 5.969 1.00 0.00 C ATOM 115 CG PRO A 11 -1.492 13.902 6.930 1.00 0.00 C ATOM 116 CD PRO A 11 -1.394 15.210 6.194 1.00 0.00 C ATOM 0 HA PRO A 11 -0.826 13.092 3.784 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -1.495 11.889 6.198 1.00 0.00 H new ATOM 0 HB3 PRO A 11 0.036 12.719 6.006 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -2.514 13.717 7.262 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -0.864 13.908 7.821 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -2.167 15.909 6.512 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -0.434 15.697 6.365 1.00 0.00 H new ATOM 124 N SER A 12 -3.858 13.624 4.116 1.00 0.00 N ATOM 125 CA SER A 12 -5.203 13.179 3.767 1.00 0.00 C ATOM 126 C SER A 12 -5.475 13.389 2.281 1.00 0.00 C ATOM 127 O SER A 12 -6.503 12.957 1.759 1.00 0.00 O ATOM 128 CB SER A 12 -6.244 13.931 4.598 1.00 0.00 C ATOM 129 OG SER A 12 -6.249 13.476 5.941 1.00 0.00 O ATOM 0 H SER A 12 -3.772 14.629 4.265 1.00 0.00 H new ATOM 0 HA SER A 12 -5.275 12.114 3.986 1.00 0.00 H new ATOM 0 HB2 SER A 12 -6.031 15.000 4.573 1.00 0.00 H new ATOM 0 HB3 SER A 12 -7.233 13.793 4.160 1.00 0.00 H new ATOM 0 HG SER A 12 -6.921 13.973 6.452 1.00 0.00 H new ATOM 135 N LYS A 13 -4.545 14.053 1.603 1.00 0.00 N ATOM 136 CA LYS A 13 -4.681 14.320 0.176 1.00 0.00 C ATOM 137 C LYS A 13 -3.978 13.245 -0.648 1.00 0.00 C ATOM 138 O LYS A 13 -4.058 13.239 -1.876 1.00 0.00 O ATOM 139 CB LYS A 13 -4.105 15.696 -0.164 1.00 0.00 C ATOM 140 CG LYS A 13 -4.674 16.820 0.685 1.00 0.00 C ATOM 141 CD LYS A 13 -6.153 17.036 0.409 1.00 0.00 C ATOM 142 CE LYS A 13 -6.452 16.995 -1.082 1.00 0.00 C ATOM 143 NZ LYS A 13 -7.764 17.622 -1.401 1.00 0.00 N ATOM 0 H LYS A 13 -3.688 14.417 2.020 1.00 0.00 H new ATOM 0 HA LYS A 13 -5.743 14.307 -0.071 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -3.023 15.669 -0.038 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -4.298 15.912 -1.215 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -4.530 16.588 1.740 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -4.127 17.741 0.484 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -6.736 16.269 0.920 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -6.464 17.997 0.818 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -5.661 17.511 -1.626 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -6.451 15.960 -1.424 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -7.931 17.574 -2.426 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -8.522 17.114 -0.902 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -7.756 18.617 -1.097 1.00 0.00 H new ATOM 157 N VAL A 14 -3.290 12.337 0.037 1.00 0.00 N ATOM 158 CA VAL A 14 -2.576 11.256 -0.632 1.00 0.00 C ATOM 159 C VAL A 14 -3.464 10.027 -0.793 1.00 0.00 C ATOM 160 O VAL A 14 -4.169 9.631 0.134 1.00 0.00 O ATOM 161 CB VAL A 14 -1.306 10.860 0.143 1.00 0.00 C ATOM 162 CG1 VAL A 14 -1.634 10.583 1.602 1.00 0.00 C ATOM 163 CG2 VAL A 14 -0.644 9.650 -0.501 1.00 0.00 C ATOM 0 H VAL A 14 -3.212 12.329 1.054 1.00 0.00 H new ATOM 0 HA VAL A 14 -2.292 11.626 -1.617 1.00 0.00 H new ATOM 0 HB VAL A 14 -0.605 11.694 0.105 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -0.724 10.305 2.133 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -2.059 11.478 2.056 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -2.354 9.767 1.664 1.00 0.00 H new ATOM 0 HG21 VAL A 14 0.252 9.384 0.060 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -1.338 8.810 -0.496 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -0.371 9.889 -1.529 1.00 0.00 H new ATOM 173 N LYS A 15 -3.424 9.427 -1.979 1.00 0.00 N ATOM 174 CA LYS A 15 -4.224 8.241 -2.263 1.00 0.00 C ATOM 175 C LYS A 15 -3.382 7.168 -2.947 1.00 0.00 C ATOM 176 O LYS A 15 -2.256 7.429 -3.374 1.00 0.00 O ATOM 177 CB LYS A 15 -5.419 8.606 -3.145 1.00 0.00 C ATOM 178 CG LYS A 15 -6.309 9.683 -2.549 1.00 0.00 C ATOM 179 CD LYS A 15 -7.237 10.280 -3.593 1.00 0.00 C ATOM 180 CE LYS A 15 -6.514 11.293 -4.467 1.00 0.00 C ATOM 181 NZ LYS A 15 -7.154 11.429 -5.805 1.00 0.00 N ATOM 0 H LYS A 15 -2.846 9.743 -2.758 1.00 0.00 H new ATOM 0 HA LYS A 15 -4.588 7.843 -1.316 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -5.054 8.944 -4.115 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -6.015 7.711 -3.323 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -6.899 9.260 -1.736 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -5.690 10.470 -2.118 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -7.644 9.484 -4.217 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -8.081 10.761 -3.099 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -6.506 12.262 -3.968 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -5.475 10.989 -4.591 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -6.632 12.128 -6.370 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -7.140 10.510 -6.292 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -8.138 11.744 -5.689 1.00 0.00 H new ATOM 195 N ILE A 16 -3.935 5.964 -3.049 1.00 0.00 N ATOM 196 CA ILE A 16 -3.234 4.855 -3.685 1.00 0.00 C ATOM 197 C ILE A 16 -4.198 3.981 -4.480 1.00 0.00 C ATOM 198 O ILE A 16 -5.313 3.705 -4.037 1.00 0.00 O ATOM 199 CB ILE A 16 -2.504 3.982 -2.647 1.00 0.00 C ATOM 200 CG1 ILE A 16 -3.513 3.302 -1.720 1.00 0.00 C ATOM 201 CG2 ILE A 16 -1.523 4.823 -1.845 1.00 0.00 C ATOM 202 CD1 ILE A 16 -2.895 2.258 -0.816 1.00 0.00 C ATOM 0 H ILE A 16 -4.865 5.732 -2.700 1.00 0.00 H new ATOM 0 HA ILE A 16 -2.499 5.291 -4.362 1.00 0.00 H new ATOM 0 HB ILE A 16 -1.944 3.209 -3.173 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -3.999 4.061 -1.106 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -4.291 2.834 -2.324 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -1.015 4.192 -1.116 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -0.788 5.265 -2.518 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -2.062 5.615 -1.326 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -3.669 1.818 -0.187 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -2.433 1.479 -1.423 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -2.137 2.724 -0.186 1.00 0.00 H new ATOM 214 N ALA A 17 -3.760 3.544 -5.656 1.00 0.00 N ATOM 215 CA ALA A 17 -4.581 2.697 -6.512 1.00 0.00 C ATOM 216 C ALA A 17 -3.735 1.646 -7.220 1.00 0.00 C ATOM 217 O ALA A 17 -2.540 1.844 -7.443 1.00 0.00 O ATOM 218 CB ALA A 17 -5.333 3.545 -7.528 1.00 0.00 C ATOM 0 H ALA A 17 -2.840 3.763 -6.038 1.00 0.00 H new ATOM 0 HA ALA A 17 -5.303 2.178 -5.882 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -5.942 2.900 -8.161 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -5.976 4.253 -7.006 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -4.620 4.090 -8.146 1.00 0.00 H new ATOM 224 N GLY A 18 -4.360 0.526 -7.571 1.00 0.00 N ATOM 225 CA GLY A 18 -3.647 -0.540 -8.250 1.00 0.00 C ATOM 226 C GLY A 18 -4.192 -1.913 -7.905 1.00 0.00 C ATOM 227 O GLY A 18 -5.034 -2.065 -7.021 1.00 0.00 O ATOM 0 H GLY A 18 -5.347 0.338 -7.397 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -3.711 -0.387 -9.327 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -2.591 -0.494 -7.984 1.00 0.00 H new ATOM 231 N PRO A 19 -3.708 -2.941 -8.617 1.00 0.00 N ATOM 232 CA PRO A 19 -4.139 -4.325 -8.401 1.00 0.00 C ATOM 233 C PRO A 19 -3.645 -4.886 -7.072 1.00 0.00 C ATOM 234 O PRO A 19 -4.285 -5.749 -6.474 1.00 0.00 O ATOM 235 CB PRO A 19 -3.502 -5.081 -9.569 1.00 0.00 C ATOM 236 CG PRO A 19 -2.318 -4.262 -9.951 1.00 0.00 C ATOM 237 CD PRO A 19 -2.702 -2.832 -9.687 1.00 0.00 C ATOM 0 HA PRO A 19 -5.225 -4.411 -8.360 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -3.208 -6.089 -9.275 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -4.198 -5.182 -10.401 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -1.442 -4.545 -9.367 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -2.063 -4.410 -11.000 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -1.844 -2.237 -9.373 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -3.112 -2.355 -10.577 1.00 0.00 H new ATOM 245 N GLY A 20 -2.501 -4.387 -6.612 1.00 0.00 N ATOM 246 CA GLY A 20 -1.941 -4.849 -5.356 1.00 0.00 C ATOM 247 C GLY A 20 -2.874 -4.614 -4.184 1.00 0.00 C ATOM 248 O GLY A 20 -2.853 -5.361 -3.205 1.00 0.00 O ATOM 0 H GLY A 20 -1.952 -3.671 -7.088 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -1.718 -5.913 -5.431 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -0.996 -4.337 -5.173 1.00 0.00 H new ATOM 252 N LEU A 21 -3.693 -3.573 -4.282 1.00 0.00 N ATOM 253 CA LEU A 21 -4.637 -3.239 -3.222 1.00 0.00 C ATOM 254 C LEU A 21 -6.022 -3.802 -3.527 1.00 0.00 C ATOM 255 O LEU A 21 -6.809 -4.067 -2.621 1.00 0.00 O ATOM 256 CB LEU A 21 -4.718 -1.723 -3.041 1.00 0.00 C ATOM 257 CG LEU A 21 -3.382 -0.981 -2.988 1.00 0.00 C ATOM 258 CD1 LEU A 21 -3.550 0.457 -3.455 1.00 0.00 C ATOM 259 CD2 LEU A 21 -2.806 -1.022 -1.580 1.00 0.00 C ATOM 0 H LEU A 21 -3.722 -2.945 -5.085 1.00 0.00 H new ATOM 0 HA LEU A 21 -4.278 -3.690 -2.297 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -5.308 -1.310 -3.860 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -5.263 -1.516 -2.120 1.00 0.00 H new ATOM 0 HG LEU A 21 -2.684 -1.480 -3.660 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -2.589 0.969 -3.410 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -3.918 0.466 -4.481 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -4.264 0.968 -2.809 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -1.855 -0.489 -1.560 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -3.502 -0.548 -0.888 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -2.648 -2.058 -1.282 1.00 0.00 H new ATOM 271 N GLY A 22 -6.310 -3.982 -4.813 1.00 0.00 N ATOM 272 CA GLY A 22 -7.598 -4.514 -5.216 1.00 0.00 C ATOM 273 C GLY A 22 -7.903 -5.851 -4.570 1.00 0.00 C ATOM 274 O GLY A 22 -7.025 -6.472 -3.970 1.00 0.00 O ATOM 0 H GLY A 22 -5.674 -3.769 -5.582 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -8.380 -3.801 -4.954 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -7.618 -4.625 -6.300 1.00 0.00 H new ATOM 278 N SER A 23 -9.149 -6.295 -4.690 1.00 0.00 N ATOM 279 CA SER A 23 -9.568 -7.565 -4.108 1.00 0.00 C ATOM 280 C SER A 23 -9.230 -8.727 -5.038 1.00 0.00 C ATOM 281 O SER A 23 -9.781 -9.819 -4.911 1.00 0.00 O ATOM 282 CB SER A 23 -11.071 -7.548 -3.821 1.00 0.00 C ATOM 283 OG SER A 23 -11.820 -7.704 -5.014 1.00 0.00 O ATOM 0 H SER A 23 -9.887 -5.794 -5.185 1.00 0.00 H new ATOM 0 HA SER A 23 -9.028 -7.703 -3.171 1.00 0.00 H new ATOM 0 HB2 SER A 23 -11.320 -8.348 -3.124 1.00 0.00 H new ATOM 0 HB3 SER A 23 -11.342 -6.609 -3.338 1.00 0.00 H new ATOM 0 HG SER A 23 -12.777 -7.692 -4.803 1.00 0.00 H new ATOM 289 N GLY A 24 -8.318 -8.481 -5.975 1.00 0.00 N ATOM 290 CA GLY A 24 -7.921 -9.514 -6.912 1.00 0.00 C ATOM 291 C GLY A 24 -6.451 -9.864 -6.802 1.00 0.00 C ATOM 292 O GLY A 24 -5.775 -10.063 -7.812 1.00 0.00 O ATOM 0 H GLY A 24 -7.848 -7.585 -6.101 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -8.518 -10.409 -6.736 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -8.137 -9.181 -7.927 1.00 0.00 H new ATOM 296 N VAL A 25 -5.952 -9.937 -5.572 1.00 0.00 N ATOM 297 CA VAL A 25 -4.551 -10.264 -5.333 1.00 0.00 C ATOM 298 C VAL A 25 -4.365 -11.762 -5.118 1.00 0.00 C ATOM 299 O VAL A 25 -5.243 -12.436 -4.578 1.00 0.00 O ATOM 300 CB VAL A 25 -3.999 -9.509 -4.110 1.00 0.00 C ATOM 301 CG1 VAL A 25 -2.617 -10.026 -3.742 1.00 0.00 C ATOM 302 CG2 VAL A 25 -3.963 -8.012 -4.380 1.00 0.00 C ATOM 0 H VAL A 25 -6.497 -9.774 -4.725 1.00 0.00 H new ATOM 0 HA VAL A 25 -3.999 -9.956 -6.221 1.00 0.00 H new ATOM 0 HB VAL A 25 -4.664 -9.687 -3.265 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -2.243 -9.480 -2.876 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -2.677 -11.088 -3.504 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -1.938 -9.881 -4.583 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -3.570 -7.494 -3.505 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -3.321 -7.812 -5.238 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -4.971 -7.656 -4.590 1.00 0.00 H new ATOM 312 N ARG A 26 -3.216 -12.277 -5.544 1.00 0.00 N ATOM 313 CA ARG A 26 -2.916 -13.696 -5.399 1.00 0.00 C ATOM 314 C ARG A 26 -1.622 -13.900 -4.616 1.00 0.00 C ATOM 315 O ARG A 26 -0.775 -13.009 -4.554 1.00 0.00 O ATOM 316 CB ARG A 26 -2.802 -14.359 -6.773 1.00 0.00 C ATOM 317 CG ARG A 26 -4.016 -14.135 -7.659 1.00 0.00 C ATOM 318 CD ARG A 26 -3.781 -14.655 -9.068 1.00 0.00 C ATOM 319 NE ARG A 26 -3.204 -13.634 -9.939 1.00 0.00 N ATOM 320 CZ ARG A 26 -3.010 -13.804 -11.242 1.00 0.00 C ATOM 321 NH1 ARG A 26 -3.345 -14.948 -11.822 1.00 0.00 N ATOM 322 NH2 ARG A 26 -2.479 -12.828 -11.968 1.00 0.00 N ATOM 0 H ARG A 26 -2.478 -11.733 -5.992 1.00 0.00 H new ATOM 0 HA ARG A 26 -3.733 -14.160 -4.846 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -1.917 -13.975 -7.280 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -2.653 -15.430 -6.639 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -4.882 -14.635 -7.225 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -4.249 -13.071 -7.697 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -3.115 -15.517 -9.030 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -4.725 -15.000 -9.489 1.00 0.00 H new ATOM 0 HE ARG A 26 -2.935 -12.742 -9.524 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -3.753 -15.701 -11.267 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -3.195 -15.076 -12.823 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -2.219 -11.946 -11.525 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -2.330 -12.960 -12.969 1.00 0.00 H new ATOM 336 N ALA A 27 -1.477 -15.079 -4.019 1.00 0.00 N ATOM 337 CA ALA A 27 -0.287 -15.400 -3.240 1.00 0.00 C ATOM 338 C ALA A 27 0.901 -15.693 -4.151 1.00 0.00 C ATOM 339 O ALA A 27 0.733 -16.186 -5.267 1.00 0.00 O ATOM 340 CB ALA A 27 -0.558 -16.585 -2.325 1.00 0.00 C ATOM 0 H ALA A 27 -2.169 -15.827 -4.060 1.00 0.00 H new ATOM 0 HA ALA A 27 -0.038 -14.533 -2.628 1.00 0.00 H new ATOM 0 HB1 ALA A 27 0.339 -16.813 -1.750 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -1.373 -16.340 -1.644 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -0.835 -17.452 -2.925 1.00 0.00 H new ATOM 346 N ARG A 28 2.100 -15.386 -3.668 1.00 0.00 N ATOM 347 CA ARG A 28 3.316 -15.616 -4.439 1.00 0.00 C ATOM 348 C ARG A 28 3.223 -14.951 -5.810 1.00 0.00 C ATOM 349 O ARG A 28 3.807 -15.429 -6.783 1.00 0.00 O ATOM 350 CB ARG A 28 3.566 -17.115 -4.603 1.00 0.00 C ATOM 351 CG ARG A 28 3.658 -17.865 -3.284 1.00 0.00 C ATOM 352 CD ARG A 28 4.521 -19.111 -3.410 1.00 0.00 C ATOM 353 NE ARG A 28 4.280 -20.055 -2.322 1.00 0.00 N ATOM 354 CZ ARG A 28 5.103 -21.053 -2.019 1.00 0.00 C ATOM 355 NH1 ARG A 28 6.215 -21.235 -2.719 1.00 0.00 N ATOM 356 NH2 ARG A 28 4.816 -21.871 -1.015 1.00 0.00 N ATOM 0 H ARG A 28 2.256 -14.977 -2.746 1.00 0.00 H new ATOM 0 HA ARG A 28 4.151 -15.174 -3.895 1.00 0.00 H new ATOM 0 HB2 ARG A 28 2.763 -17.545 -5.201 1.00 0.00 H new ATOM 0 HB3 ARG A 28 4.491 -17.262 -5.160 1.00 0.00 H new ATOM 0 HG2 ARG A 28 4.074 -17.209 -2.519 1.00 0.00 H new ATOM 0 HG3 ARG A 28 2.658 -18.146 -2.953 1.00 0.00 H new ATOM 0 HD2 ARG A 28 4.318 -19.598 -4.364 1.00 0.00 H new ATOM 0 HD3 ARG A 28 5.573 -18.825 -3.415 1.00 0.00 H new ATOM 0 HE ARG A 28 3.434 -19.942 -1.764 1.00 0.00 H new ATOM 0 HH11 ARG A 28 6.440 -20.608 -3.492 1.00 0.00 H new ATOM 0 HH12 ARG A 28 6.845 -22.002 -2.485 1.00 0.00 H new ATOM 0 HH21 ARG A 28 3.962 -21.734 -0.474 1.00 0.00 H new ATOM 0 HH22 ARG A 28 5.449 -22.637 -0.784 1.00 0.00 H new ATOM 370 N VAL A 29 2.484 -13.849 -5.879 1.00 0.00 N ATOM 371 CA VAL A 29 2.315 -13.119 -7.130 1.00 0.00 C ATOM 372 C VAL A 29 2.829 -11.689 -7.007 1.00 0.00 C ATOM 373 O VAL A 29 2.705 -11.062 -5.954 1.00 0.00 O ATOM 374 CB VAL A 29 0.838 -13.085 -7.565 1.00 0.00 C ATOM 375 CG1 VAL A 29 0.610 -11.992 -8.598 1.00 0.00 C ATOM 376 CG2 VAL A 29 0.412 -14.441 -8.108 1.00 0.00 C ATOM 0 H VAL A 29 1.993 -13.442 -5.083 1.00 0.00 H new ATOM 0 HA VAL A 29 2.897 -13.648 -7.885 1.00 0.00 H new ATOM 0 HB VAL A 29 0.225 -12.859 -6.692 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -0.439 -11.983 -8.893 1.00 0.00 H new ATOM 0 HG12 VAL A 29 0.874 -11.025 -8.169 1.00 0.00 H new ATOM 0 HG13 VAL A 29 1.231 -12.183 -9.473 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -0.634 -14.399 -8.411 1.00 0.00 H new ATOM 0 HG22 VAL A 29 1.029 -14.698 -8.969 1.00 0.00 H new ATOM 0 HG23 VAL A 29 0.536 -15.198 -7.334 1.00 0.00 H new ATOM 386 N LEU A 30 3.407 -11.178 -8.088 1.00 0.00 N ATOM 387 CA LEU A 30 3.941 -9.821 -8.102 1.00 0.00 C ATOM 388 C LEU A 30 2.817 -8.793 -8.005 1.00 0.00 C ATOM 389 O LEU A 30 2.041 -8.620 -8.945 1.00 0.00 O ATOM 390 CB LEU A 30 4.756 -9.585 -9.374 1.00 0.00 C ATOM 391 CG LEU A 30 5.414 -8.211 -9.504 1.00 0.00 C ATOM 392 CD1 LEU A 30 6.780 -8.208 -8.835 1.00 0.00 C ATOM 393 CD2 LEU A 30 5.535 -7.814 -10.969 1.00 0.00 C ATOM 0 H LEU A 30 3.518 -11.683 -8.967 1.00 0.00 H new ATOM 0 HA LEU A 30 4.592 -9.704 -7.235 1.00 0.00 H new ATOM 0 HB2 LEU A 30 5.535 -10.345 -9.429 1.00 0.00 H new ATOM 0 HB3 LEU A 30 4.103 -9.736 -10.233 1.00 0.00 H new ATOM 0 HG LEU A 30 4.784 -7.478 -9.000 1.00 0.00 H new ATOM 0 HD11 LEU A 30 7.233 -7.222 -8.938 1.00 0.00 H new ATOM 0 HD12 LEU A 30 6.668 -8.448 -7.778 1.00 0.00 H new ATOM 0 HD13 LEU A 30 7.419 -8.952 -9.310 1.00 0.00 H new ATOM 0 HD21 LEU A 30 6.005 -6.834 -11.043 1.00 0.00 H new ATOM 0 HD22 LEU A 30 6.143 -8.549 -11.496 1.00 0.00 H new ATOM 0 HD23 LEU A 30 4.543 -7.775 -11.419 1.00 0.00 H new ATOM 405 N GLN A 31 2.739 -8.114 -6.866 1.00 0.00 N ATOM 406 CA GLN A 31 1.712 -7.103 -6.648 1.00 0.00 C ATOM 407 C GLN A 31 2.330 -5.713 -6.542 1.00 0.00 C ATOM 408 O GLN A 31 3.243 -5.489 -5.747 1.00 0.00 O ATOM 409 CB GLN A 31 0.915 -7.418 -5.382 1.00 0.00 C ATOM 410 CG GLN A 31 0.339 -8.825 -5.360 1.00 0.00 C ATOM 411 CD GLN A 31 -0.769 -9.019 -6.377 1.00 0.00 C ATOM 412 OE1 GLN A 31 -1.334 -8.051 -6.887 1.00 0.00 O ATOM 413 NE2 GLN A 31 -1.085 -10.274 -6.676 1.00 0.00 N ATOM 0 H GLN A 31 3.375 -8.246 -6.079 1.00 0.00 H new ATOM 0 HA GLN A 31 1.038 -7.117 -7.505 1.00 0.00 H new ATOM 0 HB2 GLN A 31 1.560 -7.285 -4.514 1.00 0.00 H new ATOM 0 HB3 GLN A 31 0.101 -6.700 -5.287 1.00 0.00 H new ATOM 0 HG2 GLN A 31 1.136 -9.543 -5.555 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -0.046 -9.040 -4.363 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -0.590 -11.045 -6.228 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -1.823 -10.467 -7.353 1.00 0.00 H new ATOM 422 N SER A 32 1.827 -4.783 -7.347 1.00 0.00 N ATOM 423 CA SER A 32 2.332 -3.415 -7.346 1.00 0.00 C ATOM 424 C SER A 32 1.199 -2.416 -7.559 1.00 0.00 C ATOM 425 O SER A 32 0.186 -2.734 -8.182 1.00 0.00 O ATOM 426 CB SER A 32 3.394 -3.240 -8.432 1.00 0.00 C ATOM 427 OG SER A 32 3.965 -1.945 -8.384 1.00 0.00 O ATOM 0 H SER A 32 1.070 -4.952 -8.009 1.00 0.00 H new ATOM 0 HA SER A 32 2.783 -3.222 -6.373 1.00 0.00 H new ATOM 0 HB2 SER A 32 4.175 -3.990 -8.305 1.00 0.00 H new ATOM 0 HB3 SER A 32 2.947 -3.408 -9.412 1.00 0.00 H new ATOM 0 HG SER A 32 4.083 -1.674 -7.450 1.00 0.00 H new ATOM 433 N PHE A 33 1.379 -1.207 -7.040 1.00 0.00 N ATOM 434 CA PHE A 33 0.372 -0.161 -7.173 1.00 0.00 C ATOM 435 C PHE A 33 1.026 1.214 -7.284 1.00 0.00 C ATOM 436 O PHE A 33 2.252 1.329 -7.322 1.00 0.00 O ATOM 437 CB PHE A 33 -0.583 -0.187 -5.977 1.00 0.00 C ATOM 438 CG PHE A 33 0.119 -0.202 -4.649 1.00 0.00 C ATOM 439 CD1 PHE A 33 0.820 -1.322 -4.234 1.00 0.00 C ATOM 440 CD2 PHE A 33 0.077 0.905 -3.816 1.00 0.00 C ATOM 441 CE1 PHE A 33 1.467 -1.339 -3.013 1.00 0.00 C ATOM 442 CE2 PHE A 33 0.724 0.894 -2.594 1.00 0.00 C ATOM 443 CZ PHE A 33 1.418 -0.230 -2.192 1.00 0.00 C ATOM 0 H PHE A 33 2.213 -0.927 -6.523 1.00 0.00 H new ATOM 0 HA PHE A 33 -0.193 -0.351 -8.086 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -1.235 0.685 -6.024 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -1.222 -1.067 -6.051 1.00 0.00 H new ATOM 0 HD1 PHE A 33 0.862 -2.192 -4.872 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -0.467 1.786 -4.125 1.00 0.00 H new ATOM 0 HE1 PHE A 33 2.010 -2.219 -2.701 1.00 0.00 H new ATOM 0 HE2 PHE A 33 0.687 1.764 -1.955 1.00 0.00 H new ATOM 0 HZ PHE A 33 1.922 -0.242 -1.237 1.00 0.00 H new ATOM 453 N THR A 34 0.200 2.254 -7.337 1.00 0.00 N ATOM 454 CA THR A 34 0.697 3.619 -7.447 1.00 0.00 C ATOM 455 C THR A 34 0.202 4.478 -6.289 1.00 0.00 C ATOM 456 O THR A 34 -0.972 4.428 -5.923 1.00 0.00 O ATOM 457 CB THR A 34 0.266 4.270 -8.774 1.00 0.00 C ATOM 458 OG1 THR A 34 0.679 3.453 -9.877 1.00 0.00 O ATOM 459 CG2 THR A 34 0.865 5.660 -8.915 1.00 0.00 C ATOM 0 H THR A 34 -0.817 2.177 -7.305 1.00 0.00 H new ATOM 0 HA THR A 34 1.785 3.562 -7.416 1.00 0.00 H new ATOM 0 HB THR A 34 -0.820 4.359 -8.774 1.00 0.00 H new ATOM 0 HG1 THR A 34 0.400 3.873 -10.717 1.00 0.00 H new ATOM 0 HG21 THR A 34 0.546 6.099 -9.860 1.00 0.00 H new ATOM 0 HG22 THR A 34 0.526 6.287 -8.091 1.00 0.00 H new ATOM 0 HG23 THR A 34 1.953 5.591 -8.895 1.00 0.00 H new ATOM 467 N VAL A 35 1.104 5.268 -5.716 1.00 0.00 N ATOM 468 CA VAL A 35 0.759 6.141 -4.600 1.00 0.00 C ATOM 469 C VAL A 35 0.854 7.609 -5.000 1.00 0.00 C ATOM 470 O VAL A 35 1.946 8.140 -5.194 1.00 0.00 O ATOM 471 CB VAL A 35 1.674 5.890 -3.387 1.00 0.00 C ATOM 472 CG1 VAL A 35 1.223 6.722 -2.196 1.00 0.00 C ATOM 473 CG2 VAL A 35 1.699 4.410 -3.034 1.00 0.00 C ATOM 0 H VAL A 35 2.080 5.322 -6.006 1.00 0.00 H new ATOM 0 HA VAL A 35 -0.270 5.909 -4.324 1.00 0.00 H new ATOM 0 HB VAL A 35 2.687 6.194 -3.650 1.00 0.00 H new ATOM 0 HG11 VAL A 35 1.882 6.531 -1.349 1.00 0.00 H new ATOM 0 HG12 VAL A 35 1.263 7.780 -2.455 1.00 0.00 H new ATOM 0 HG13 VAL A 35 0.201 6.452 -1.929 1.00 0.00 H new ATOM 0 HG21 VAL A 35 2.351 4.252 -2.175 1.00 0.00 H new ATOM 0 HG22 VAL A 35 0.690 4.077 -2.791 1.00 0.00 H new ATOM 0 HG23 VAL A 35 2.074 3.840 -3.884 1.00 0.00 H new ATOM 483 N ASP A 36 -0.298 8.258 -5.121 1.00 0.00 N ATOM 484 CA ASP A 36 -0.346 9.667 -5.497 1.00 0.00 C ATOM 485 C ASP A 36 -0.337 10.561 -4.261 1.00 0.00 C ATOM 486 O ASP A 36 -1.348 10.691 -3.570 1.00 0.00 O ATOM 487 CB ASP A 36 -1.592 9.951 -6.337 1.00 0.00 C ATOM 488 CG ASP A 36 -1.660 11.391 -6.805 1.00 0.00 C ATOM 489 OD1 ASP A 36 -0.723 11.833 -7.504 1.00 0.00 O ATOM 490 OD2 ASP A 36 -2.649 12.077 -6.472 1.00 0.00 O ATOM 0 H ASP A 36 -1.211 7.832 -4.964 1.00 0.00 H new ATOM 0 HA ASP A 36 0.541 9.889 -6.090 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -1.601 9.290 -7.204 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -2.482 9.720 -5.751 1.00 0.00 H new ATOM 495 N SER A 37 0.811 11.170 -3.986 1.00 0.00 N ATOM 496 CA SER A 37 0.953 12.048 -2.830 1.00 0.00 C ATOM 497 C SER A 37 1.374 13.450 -3.260 1.00 0.00 C ATOM 498 O SER A 37 2.058 14.158 -2.521 1.00 0.00 O ATOM 499 CB SER A 37 1.978 11.473 -1.850 1.00 0.00 C ATOM 500 OG SER A 37 3.301 11.742 -2.281 1.00 0.00 O ATOM 0 H SER A 37 1.657 11.072 -4.548 1.00 0.00 H new ATOM 0 HA SER A 37 -0.016 12.115 -2.335 1.00 0.00 H new ATOM 0 HB2 SER A 37 1.820 11.902 -0.860 1.00 0.00 H new ATOM 0 HB3 SER A 37 1.834 10.397 -1.758 1.00 0.00 H new ATOM 0 HG SER A 37 3.750 12.311 -1.622 1.00 0.00 H new ATOM 506 N SER A 38 0.960 13.843 -4.460 1.00 0.00 N ATOM 507 CA SER A 38 1.296 15.159 -4.991 1.00 0.00 C ATOM 508 C SER A 38 0.500 16.250 -4.282 1.00 0.00 C ATOM 509 O SER A 38 1.007 17.346 -4.041 1.00 0.00 O ATOM 510 CB SER A 38 1.024 15.209 -6.496 1.00 0.00 C ATOM 511 OG SER A 38 1.769 16.243 -7.114 1.00 0.00 O ATOM 0 H SER A 38 0.392 13.269 -5.083 1.00 0.00 H new ATOM 0 HA SER A 38 2.357 15.335 -4.815 1.00 0.00 H new ATOM 0 HB2 SER A 38 1.282 14.251 -6.947 1.00 0.00 H new ATOM 0 HB3 SER A 38 -0.040 15.368 -6.671 1.00 0.00 H new ATOM 0 HG SER A 38 1.579 16.253 -8.075 1.00 0.00 H new ATOM 517 N LYS A 39 -0.749 15.943 -3.951 1.00 0.00 N ATOM 518 CA LYS A 39 -1.617 16.896 -3.269 1.00 0.00 C ATOM 519 C LYS A 39 -1.310 16.938 -1.776 1.00 0.00 C ATOM 520 O LYS A 39 -1.696 17.877 -1.079 1.00 0.00 O ATOM 521 CB LYS A 39 -3.085 16.526 -3.488 1.00 0.00 C ATOM 522 CG LYS A 39 -3.564 16.753 -4.912 1.00 0.00 C ATOM 523 CD LYS A 39 -4.139 18.149 -5.091 1.00 0.00 C ATOM 524 CE LYS A 39 -3.064 19.146 -5.497 1.00 0.00 C ATOM 525 NZ LYS A 39 -3.649 20.443 -5.936 1.00 0.00 N ATOM 0 H LYS A 39 -1.184 15.041 -4.144 1.00 0.00 H new ATOM 0 HA LYS A 39 -1.431 17.885 -3.689 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -3.229 15.477 -3.228 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -3.704 17.111 -2.808 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -2.734 16.609 -5.603 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -4.322 16.011 -5.165 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -4.922 18.127 -5.849 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -4.605 18.474 -4.161 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -2.391 19.317 -4.657 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -2.465 18.726 -6.305 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -2.885 21.095 -6.204 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -4.272 20.284 -6.754 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -4.200 20.857 -5.157 1.00 0.00 H new ATOM 539 N ALA A 40 -0.611 15.917 -1.290 1.00 0.00 N ATOM 540 CA ALA A 40 -0.250 15.840 0.120 1.00 0.00 C ATOM 541 C ALA A 40 0.868 16.824 0.454 1.00 0.00 C ATOM 542 O ALA A 40 0.867 17.439 1.518 1.00 0.00 O ATOM 543 CB ALA A 40 0.167 14.423 0.481 1.00 0.00 C ATOM 0 H ALA A 40 -0.284 15.132 -1.853 1.00 0.00 H new ATOM 0 HA ALA A 40 -1.126 16.110 0.710 1.00 0.00 H new ATOM 0 HB1 ALA A 40 0.434 14.380 1.537 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -0.660 13.740 0.288 1.00 0.00 H new ATOM 0 HB3 ALA A 40 1.027 14.132 -0.123 1.00 0.00 H new ATOM 549 N GLY A 41 1.820 16.964 -0.463 1.00 0.00 N ATOM 550 CA GLY A 41 2.930 17.873 -0.246 1.00 0.00 C ATOM 551 C GLY A 41 4.265 17.255 -0.611 1.00 0.00 C ATOM 552 O GLY A 41 4.389 16.588 -1.640 1.00 0.00 O ATOM 0 H GLY A 41 1.842 16.464 -1.352 1.00 0.00 H new ATOM 0 HA2 GLY A 41 2.777 18.776 -0.837 1.00 0.00 H new ATOM 0 HA3 GLY A 41 2.948 18.177 0.801 1.00 0.00 H new ATOM 556 N LEU A 42 5.268 17.478 0.230 1.00 0.00 N ATOM 557 CA LEU A 42 6.602 16.939 -0.010 1.00 0.00 C ATOM 558 C LEU A 42 7.026 16.007 1.121 1.00 0.00 C ATOM 559 O LEU A 42 8.210 15.724 1.295 1.00 0.00 O ATOM 560 CB LEU A 42 7.616 18.077 -0.153 1.00 0.00 C ATOM 561 CG LEU A 42 7.643 19.098 0.983 1.00 0.00 C ATOM 562 CD1 LEU A 42 6.589 20.173 0.761 1.00 0.00 C ATOM 563 CD2 LEU A 42 7.431 18.412 2.324 1.00 0.00 C ATOM 0 H LEU A 42 5.183 18.028 1.085 1.00 0.00 H new ATOM 0 HA LEU A 42 6.573 16.366 -0.937 1.00 0.00 H new ATOM 0 HB2 LEU A 42 8.611 17.641 -0.246 1.00 0.00 H new ATOM 0 HB3 LEU A 42 7.411 18.605 -1.084 1.00 0.00 H new ATOM 0 HG LEU A 42 8.623 19.574 0.992 1.00 0.00 H new ATOM 0 HD11 LEU A 42 6.623 20.891 1.580 1.00 0.00 H new ATOM 0 HD12 LEU A 42 6.786 20.687 -0.180 1.00 0.00 H new ATOM 0 HD13 LEU A 42 5.602 19.712 0.724 1.00 0.00 H new ATOM 0 HD21 LEU A 42 7.454 19.156 3.121 1.00 0.00 H new ATOM 0 HD22 LEU A 42 6.465 17.907 2.326 1.00 0.00 H new ATOM 0 HD23 LEU A 42 8.223 17.681 2.488 1.00 0.00 H new ATOM 575 N ALA A 43 6.048 15.532 1.886 1.00 0.00 N ATOM 576 CA ALA A 43 6.318 14.628 2.998 1.00 0.00 C ATOM 577 C ALA A 43 6.611 13.217 2.499 1.00 0.00 C ATOM 578 O ALA A 43 6.138 12.795 1.444 1.00 0.00 O ATOM 579 CB ALA A 43 5.144 14.616 3.965 1.00 0.00 C ATOM 0 H ALA A 43 5.062 15.758 1.756 1.00 0.00 H new ATOM 0 HA ALA A 43 7.202 14.990 3.523 1.00 0.00 H new ATOM 0 HB1 ALA A 43 5.359 13.937 4.790 1.00 0.00 H new ATOM 0 HB2 ALA A 43 4.983 15.621 4.355 1.00 0.00 H new ATOM 0 HB3 ALA A 43 4.247 14.281 3.444 1.00 0.00 H new ATOM 585 N PRO A 44 7.409 12.468 3.275 1.00 0.00 N ATOM 586 CA PRO A 44 7.782 11.093 2.932 1.00 0.00 C ATOM 587 C PRO A 44 6.606 10.129 3.042 1.00 0.00 C ATOM 588 O PRO A 44 5.567 10.462 3.612 1.00 0.00 O ATOM 589 CB PRO A 44 8.855 10.748 3.967 1.00 0.00 C ATOM 590 CG PRO A 44 8.562 11.635 5.128 1.00 0.00 C ATOM 591 CD PRO A 44 8.007 12.906 4.547 1.00 0.00 C ATOM 0 HA PRO A 44 8.123 11.008 1.900 1.00 0.00 H new ATOM 0 HB2 PRO A 44 8.808 9.697 4.250 1.00 0.00 H new ATOM 0 HB3 PRO A 44 9.856 10.928 3.574 1.00 0.00 H new ATOM 0 HG2 PRO A 44 7.845 11.169 5.804 1.00 0.00 H new ATOM 0 HG3 PRO A 44 9.465 11.832 5.707 1.00 0.00 H new ATOM 0 HD2 PRO A 44 7.265 13.358 5.205 1.00 0.00 H new ATOM 0 HD3 PRO A 44 8.788 13.650 4.389 1.00 0.00 H new ATOM 599 N LEU A 45 6.776 8.931 2.493 1.00 0.00 N ATOM 600 CA LEU A 45 5.728 7.916 2.530 1.00 0.00 C ATOM 601 C LEU A 45 6.253 6.612 3.119 1.00 0.00 C ATOM 602 O LEU A 45 7.337 6.151 2.761 1.00 0.00 O ATOM 603 CB LEU A 45 5.180 7.670 1.123 1.00 0.00 C ATOM 604 CG LEU A 45 4.120 6.576 0.999 1.00 0.00 C ATOM 605 CD1 LEU A 45 2.762 7.094 1.448 1.00 0.00 C ATOM 606 CD2 LEU A 45 4.049 6.062 -0.433 1.00 0.00 C ATOM 0 H LEU A 45 7.629 8.639 2.017 1.00 0.00 H new ATOM 0 HA LEU A 45 4.924 8.282 3.168 1.00 0.00 H new ATOM 0 HB2 LEU A 45 4.756 8.603 0.751 1.00 0.00 H new ATOM 0 HB3 LEU A 45 6.014 7.416 0.469 1.00 0.00 H new ATOM 0 HG LEU A 45 4.403 5.748 1.649 1.00 0.00 H new ATOM 0 HD11 LEU A 45 2.020 6.301 1.352 1.00 0.00 H new ATOM 0 HD12 LEU A 45 2.820 7.413 2.489 1.00 0.00 H new ATOM 0 HD13 LEU A 45 2.471 7.940 0.825 1.00 0.00 H new ATOM 0 HD21 LEU A 45 3.289 5.284 -0.503 1.00 0.00 H new ATOM 0 HD22 LEU A 45 3.790 6.883 -1.102 1.00 0.00 H new ATOM 0 HD23 LEU A 45 5.017 5.651 -0.720 1.00 0.00 H new ATOM 618 N GLU A 46 5.478 6.021 4.023 1.00 0.00 N ATOM 619 CA GLU A 46 5.865 4.769 4.660 1.00 0.00 C ATOM 620 C GLU A 46 4.848 3.671 4.366 1.00 0.00 C ATOM 621 O GLU A 46 3.654 3.937 4.224 1.00 0.00 O ATOM 622 CB GLU A 46 6.001 4.961 6.172 1.00 0.00 C ATOM 623 CG GLU A 46 6.852 3.898 6.847 1.00 0.00 C ATOM 624 CD GLU A 46 7.427 4.364 8.170 1.00 0.00 C ATOM 625 OE1 GLU A 46 8.406 5.140 8.151 1.00 0.00 O ATOM 626 OE2 GLU A 46 6.898 3.954 9.224 1.00 0.00 O ATOM 0 H GLU A 46 4.578 6.390 4.330 1.00 0.00 H new ATOM 0 HA GLU A 46 6.829 4.466 4.251 1.00 0.00 H new ATOM 0 HB2 GLU A 46 6.436 5.941 6.368 1.00 0.00 H new ATOM 0 HB3 GLU A 46 5.008 4.958 6.621 1.00 0.00 H new ATOM 0 HG2 GLU A 46 6.248 3.005 7.012 1.00 0.00 H new ATOM 0 HG3 GLU A 46 7.667 3.613 6.181 1.00 0.00 H new ATOM 633 N VAL A 47 5.329 2.435 4.274 1.00 0.00 N ATOM 634 CA VAL A 47 4.463 1.295 3.996 1.00 0.00 C ATOM 635 C VAL A 47 4.825 0.103 4.876 1.00 0.00 C ATOM 636 O VAL A 47 5.983 -0.070 5.257 1.00 0.00 O ATOM 637 CB VAL A 47 4.547 0.874 2.518 1.00 0.00 C ATOM 638 CG1 VAL A 47 3.642 -0.320 2.251 1.00 0.00 C ATOM 639 CG2 VAL A 47 4.186 2.040 1.611 1.00 0.00 C ATOM 0 H VAL A 47 6.314 2.198 4.388 1.00 0.00 H new ATOM 0 HA VAL A 47 3.443 1.610 4.218 1.00 0.00 H new ATOM 0 HB VAL A 47 5.573 0.578 2.300 1.00 0.00 H new ATOM 0 HG11 VAL A 47 3.714 -0.604 1.201 1.00 0.00 H new ATOM 0 HG12 VAL A 47 3.952 -1.158 2.875 1.00 0.00 H new ATOM 0 HG13 VAL A 47 2.611 -0.055 2.485 1.00 0.00 H new ATOM 0 HG21 VAL A 47 4.251 1.725 0.570 1.00 0.00 H new ATOM 0 HG22 VAL A 47 3.170 2.369 1.828 1.00 0.00 H new ATOM 0 HG23 VAL A 47 4.879 2.864 1.784 1.00 0.00 H new ATOM 649 N ARG A 48 3.827 -0.716 5.192 1.00 0.00 N ATOM 650 CA ARG A 48 4.041 -1.893 6.026 1.00 0.00 C ATOM 651 C ARG A 48 3.020 -2.980 5.703 1.00 0.00 C ATOM 652 O ARG A 48 1.834 -2.702 5.533 1.00 0.00 O ATOM 653 CB ARG A 48 3.951 -1.517 7.507 1.00 0.00 C ATOM 654 CG ARG A 48 5.270 -1.050 8.098 1.00 0.00 C ATOM 655 CD ARG A 48 5.229 -1.043 9.618 1.00 0.00 C ATOM 656 NE ARG A 48 6.240 -0.158 10.190 1.00 0.00 N ATOM 657 CZ ARG A 48 6.604 -0.187 11.466 1.00 0.00 C ATOM 658 NH1 ARG A 48 6.045 -1.053 12.300 1.00 0.00 N ATOM 659 NH2 ARG A 48 7.532 0.651 11.912 1.00 0.00 N ATOM 0 H ARG A 48 2.863 -0.586 4.884 1.00 0.00 H new ATOM 0 HA ARG A 48 5.038 -2.281 5.816 1.00 0.00 H new ATOM 0 HB2 ARG A 48 3.209 -0.728 7.628 1.00 0.00 H new ATOM 0 HB3 ARG A 48 3.595 -2.379 8.071 1.00 0.00 H new ATOM 0 HG2 ARG A 48 6.074 -1.703 7.758 1.00 0.00 H new ATOM 0 HG3 ARG A 48 5.498 -0.048 7.735 1.00 0.00 H new ATOM 0 HD2 ARG A 48 4.241 -0.728 9.952 1.00 0.00 H new ATOM 0 HD3 ARG A 48 5.383 -2.056 9.989 1.00 0.00 H new ATOM 0 HE ARG A 48 6.691 0.520 9.575 1.00 0.00 H new ATOM 0 HH11 ARG A 48 5.333 -1.700 11.962 1.00 0.00 H new ATOM 0 HH12 ARG A 48 6.327 -1.072 13.280 1.00 0.00 H new ATOM 0 HH21 ARG A 48 7.966 1.318 11.274 1.00 0.00 H new ATOM 0 HH22 ARG A 48 7.811 0.628 12.893 1.00 0.00 H new ATOM 673 N VAL A 49 3.492 -4.221 5.619 1.00 0.00 N ATOM 674 CA VAL A 49 2.621 -5.351 5.318 1.00 0.00 C ATOM 675 C VAL A 49 2.631 -6.370 6.450 1.00 0.00 C ATOM 676 O VAL A 49 3.690 -6.841 6.868 1.00 0.00 O ATOM 677 CB VAL A 49 3.040 -6.048 4.010 1.00 0.00 C ATOM 678 CG1 VAL A 49 2.221 -7.311 3.791 1.00 0.00 C ATOM 679 CG2 VAL A 49 2.896 -5.099 2.829 1.00 0.00 C ATOM 0 H VAL A 49 4.472 -4.468 5.755 1.00 0.00 H new ATOM 0 HA VAL A 49 1.613 -4.952 5.202 1.00 0.00 H new ATOM 0 HB VAL A 49 4.089 -6.333 4.092 1.00 0.00 H new ATOM 0 HG11 VAL A 49 2.531 -7.789 2.862 1.00 0.00 H new ATOM 0 HG12 VAL A 49 2.380 -7.997 4.623 1.00 0.00 H new ATOM 0 HG13 VAL A 49 1.164 -7.053 3.731 1.00 0.00 H new ATOM 0 HG21 VAL A 49 3.197 -5.609 1.914 1.00 0.00 H new ATOM 0 HG22 VAL A 49 1.857 -4.781 2.743 1.00 0.00 H new ATOM 0 HG23 VAL A 49 3.531 -4.227 2.984 1.00 0.00 H new ATOM 689 N LEU A 50 1.445 -6.708 6.945 1.00 0.00 N ATOM 690 CA LEU A 50 1.316 -7.674 8.031 1.00 0.00 C ATOM 691 C LEU A 50 0.405 -8.828 7.627 1.00 0.00 C ATOM 692 O LEU A 50 -0.751 -8.621 7.261 1.00 0.00 O ATOM 693 CB LEU A 50 0.769 -6.990 9.285 1.00 0.00 C ATOM 694 CG LEU A 50 1.749 -6.095 10.044 1.00 0.00 C ATOM 695 CD1 LEU A 50 2.896 -6.918 10.609 1.00 0.00 C ATOM 696 CD2 LEU A 50 2.276 -4.993 9.137 1.00 0.00 C ATOM 0 H LEU A 50 0.559 -6.328 6.612 1.00 0.00 H new ATOM 0 HA LEU A 50 2.306 -8.076 8.247 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -0.094 -6.389 8.999 1.00 0.00 H new ATOM 0 HB3 LEU A 50 0.409 -7.760 9.967 1.00 0.00 H new ATOM 0 HG LEU A 50 1.219 -5.631 10.876 1.00 0.00 H new ATOM 0 HD11 LEU A 50 3.583 -6.264 11.146 1.00 0.00 H new ATOM 0 HD12 LEU A 50 2.502 -7.670 11.293 1.00 0.00 H new ATOM 0 HD13 LEU A 50 3.426 -7.411 9.794 1.00 0.00 H new ATOM 0 HD21 LEU A 50 2.972 -4.365 9.694 1.00 0.00 H new ATOM 0 HD22 LEU A 50 2.790 -5.438 8.285 1.00 0.00 H new ATOM 0 HD23 LEU A 50 1.444 -4.385 8.782 1.00 0.00 H new ATOM 708 N GLY A 51 0.933 -10.046 7.701 1.00 0.00 N ATOM 709 CA GLY A 51 0.152 -11.216 7.342 1.00 0.00 C ATOM 710 C GLY A 51 -1.095 -11.363 8.191 1.00 0.00 C ATOM 711 O GLY A 51 -1.375 -10.545 9.067 1.00 0.00 O ATOM 0 H GLY A 51 1.887 -10.244 8.003 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -0.133 -11.151 6.292 1.00 0.00 H new ATOM 0 HA3 GLY A 51 0.769 -12.108 7.450 1.00 0.00 H new ATOM 715 N PRO A 52 -1.868 -12.428 7.933 1.00 0.00 N ATOM 716 CA PRO A 52 -3.106 -12.705 8.669 1.00 0.00 C ATOM 717 C PRO A 52 -2.842 -13.123 10.112 1.00 0.00 C ATOM 718 O PRO A 52 -3.464 -12.610 11.041 1.00 0.00 O ATOM 719 CB PRO A 52 -3.735 -13.858 7.884 1.00 0.00 C ATOM 720 CG PRO A 52 -2.588 -14.530 7.213 1.00 0.00 C ATOM 721 CD PRO A 52 -1.595 -13.445 6.903 1.00 0.00 C ATOM 0 HA PRO A 52 -3.743 -11.823 8.741 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -4.264 -14.544 8.545 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -4.460 -13.493 7.157 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -2.148 -15.289 7.860 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -2.910 -15.036 6.303 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -0.570 -13.810 6.961 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -1.735 -13.047 5.898 1.00 0.00 H new ATOM 729 N ARG A 53 -1.914 -14.059 10.290 1.00 0.00 N ATOM 730 CA ARG A 53 -1.567 -14.546 11.620 1.00 0.00 C ATOM 731 C ARG A 53 -0.718 -13.524 12.370 1.00 0.00 C ATOM 732 O ARG A 53 -0.862 -13.351 13.579 1.00 0.00 O ATOM 733 CB ARG A 53 -0.817 -15.875 11.519 1.00 0.00 C ATOM 734 CG ARG A 53 -1.454 -16.864 10.558 1.00 0.00 C ATOM 735 CD ARG A 53 -0.765 -16.846 9.202 1.00 0.00 C ATOM 736 NE ARG A 53 0.305 -17.836 9.117 1.00 0.00 N ATOM 737 CZ ARG A 53 0.091 -19.137 8.952 1.00 0.00 C ATOM 738 NH1 ARG A 53 -1.146 -19.601 8.853 1.00 0.00 N ATOM 739 NH2 ARG A 53 1.117 -19.975 8.885 1.00 0.00 N ATOM 0 H ARG A 53 -1.390 -14.494 9.531 1.00 0.00 H new ATOM 0 HA ARG A 53 -2.492 -14.700 12.176 1.00 0.00 H new ATOM 0 HB2 ARG A 53 0.207 -15.681 11.201 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -0.763 -16.328 12.509 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -1.403 -17.868 10.980 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -2.510 -16.624 10.434 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -1.499 -17.038 8.420 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -0.355 -15.853 9.017 1.00 0.00 H new ATOM 0 HE ARG A 53 1.269 -17.511 9.188 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -1.937 -18.959 8.903 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -1.307 -20.600 8.726 1.00 0.00 H new ATOM 0 HH21 ARG A 53 2.071 -19.621 8.960 1.00 0.00 H new ATOM 0 HH22 ARG A 53 0.952 -20.974 8.758 1.00 0.00 H new ATOM 753 N GLY A 54 0.168 -12.850 11.643 1.00 0.00 N ATOM 754 CA GLY A 54 1.027 -11.855 12.256 1.00 0.00 C ATOM 755 C GLY A 54 2.434 -11.877 11.691 1.00 0.00 C ATOM 756 O GLY A 54 3.402 -11.613 12.406 1.00 0.00 O ATOM 0 H GLY A 54 0.306 -12.976 10.640 1.00 0.00 H new ATOM 0 HA2 GLY A 54 0.595 -10.865 12.108 1.00 0.00 H new ATOM 0 HA3 GLY A 54 1.068 -12.027 13.331 1.00 0.00 H new ATOM 760 N LEU A 55 2.549 -12.195 10.407 1.00 0.00 N ATOM 761 CA LEU A 55 3.849 -12.252 9.747 1.00 0.00 C ATOM 762 C LEU A 55 4.268 -10.872 9.249 1.00 0.00 C ATOM 763 O LEU A 55 3.429 -10.055 8.874 1.00 0.00 O ATOM 764 CB LEU A 55 3.805 -13.237 8.576 1.00 0.00 C ATOM 765 CG LEU A 55 4.975 -13.164 7.594 1.00 0.00 C ATOM 766 CD1 LEU A 55 6.182 -13.905 8.147 1.00 0.00 C ATOM 767 CD2 LEU A 55 4.571 -13.732 6.242 1.00 0.00 C ATOM 0 H LEU A 55 1.759 -12.417 9.802 1.00 0.00 H new ATOM 0 HA LEU A 55 4.584 -12.594 10.475 1.00 0.00 H new ATOM 0 HB2 LEU A 55 3.758 -14.248 8.980 1.00 0.00 H new ATOM 0 HB3 LEU A 55 2.881 -13.071 8.022 1.00 0.00 H new ATOM 0 HG LEU A 55 5.248 -12.117 7.459 1.00 0.00 H new ATOM 0 HD11 LEU A 55 7.005 -13.843 7.435 1.00 0.00 H new ATOM 0 HD12 LEU A 55 6.485 -13.454 9.092 1.00 0.00 H new ATOM 0 HD13 LEU A 55 5.923 -14.951 8.311 1.00 0.00 H new ATOM 0 HD21 LEU A 55 5.415 -13.672 5.555 1.00 0.00 H new ATOM 0 HD22 LEU A 55 4.272 -14.774 6.360 1.00 0.00 H new ATOM 0 HD23 LEU A 55 3.736 -13.158 5.841 1.00 0.00 H new ATOM 779 N VAL A 56 5.574 -10.622 9.248 1.00 0.00 N ATOM 780 CA VAL A 56 6.105 -9.342 8.794 1.00 0.00 C ATOM 781 C VAL A 56 6.802 -9.484 7.446 1.00 0.00 C ATOM 782 O VAL A 56 7.696 -10.314 7.282 1.00 0.00 O ATOM 783 CB VAL A 56 7.099 -8.754 9.814 1.00 0.00 C ATOM 784 CG1 VAL A 56 7.684 -7.448 9.298 1.00 0.00 C ATOM 785 CG2 VAL A 56 6.422 -8.549 11.161 1.00 0.00 C ATOM 0 H VAL A 56 6.283 -11.288 9.556 1.00 0.00 H new ATOM 0 HA VAL A 56 5.257 -8.665 8.692 1.00 0.00 H new ATOM 0 HB VAL A 56 7.916 -9.463 9.948 1.00 0.00 H new ATOM 0 HG11 VAL A 56 8.384 -7.048 10.032 1.00 0.00 H new ATOM 0 HG12 VAL A 56 8.207 -7.629 8.359 1.00 0.00 H new ATOM 0 HG13 VAL A 56 6.881 -6.730 9.133 1.00 0.00 H new ATOM 0 HG21 VAL A 56 7.139 -8.133 11.869 1.00 0.00 H new ATOM 0 HG22 VAL A 56 5.584 -7.861 11.046 1.00 0.00 H new ATOM 0 HG23 VAL A 56 6.057 -9.506 11.534 1.00 0.00 H new ATOM 795 N GLU A 57 6.387 -8.668 6.483 1.00 0.00 N ATOM 796 CA GLU A 57 6.971 -8.703 5.147 1.00 0.00 C ATOM 797 C GLU A 57 7.418 -7.310 4.711 1.00 0.00 C ATOM 798 O GLU A 57 6.748 -6.309 4.964 1.00 0.00 O ATOM 799 CB GLU A 57 5.966 -9.267 4.141 1.00 0.00 C ATOM 800 CG GLU A 57 5.486 -10.668 4.480 1.00 0.00 C ATOM 801 CD GLU A 57 6.403 -11.746 3.937 1.00 0.00 C ATOM 802 OE1 GLU A 57 7.605 -11.727 4.274 1.00 0.00 O ATOM 803 OE2 GLU A 57 5.918 -12.609 3.176 1.00 0.00 O ATOM 0 H GLU A 57 5.649 -7.974 6.603 1.00 0.00 H new ATOM 0 HA GLU A 57 7.846 -9.353 5.178 1.00 0.00 H new ATOM 0 HB2 GLU A 57 5.105 -8.600 4.087 1.00 0.00 H new ATOM 0 HB3 GLU A 57 6.423 -9.278 3.151 1.00 0.00 H new ATOM 0 HG2 GLU A 57 5.412 -10.771 5.563 1.00 0.00 H new ATOM 0 HG3 GLU A 57 4.484 -10.812 4.077 1.00 0.00 H new ATOM 810 N PRO A 58 8.577 -7.244 4.041 1.00 0.00 N ATOM 811 CA PRO A 58 9.141 -5.980 3.556 1.00 0.00 C ATOM 812 C PRO A 58 8.330 -5.387 2.408 1.00 0.00 C ATOM 813 O PRO A 58 7.455 -6.047 1.847 1.00 0.00 O ATOM 814 CB PRO A 58 10.539 -6.376 3.076 1.00 0.00 C ATOM 815 CG PRO A 58 10.428 -7.823 2.740 1.00 0.00 C ATOM 816 CD PRO A 58 9.429 -8.397 3.705 1.00 0.00 C ATOM 0 HA PRO A 58 9.144 -5.211 4.329 1.00 0.00 H new ATOM 0 HB2 PRO A 58 10.840 -5.790 2.208 1.00 0.00 H new ATOM 0 HB3 PRO A 58 11.287 -6.206 3.851 1.00 0.00 H new ATOM 0 HG2 PRO A 58 10.099 -7.960 1.710 1.00 0.00 H new ATOM 0 HG3 PRO A 58 11.393 -8.321 2.835 1.00 0.00 H new ATOM 0 HD2 PRO A 58 8.853 -9.204 3.254 1.00 0.00 H new ATOM 0 HD3 PRO A 58 9.915 -8.808 4.589 1.00 0.00 H new ATOM 824 N VAL A 59 8.626 -4.139 2.063 1.00 0.00 N ATOM 825 CA VAL A 59 7.927 -3.457 0.981 1.00 0.00 C ATOM 826 C VAL A 59 8.889 -2.625 0.142 1.00 0.00 C ATOM 827 O VAL A 59 9.890 -2.120 0.647 1.00 0.00 O ATOM 828 CB VAL A 59 6.810 -2.543 1.521 1.00 0.00 C ATOM 829 CG1 VAL A 59 6.033 -1.915 0.376 1.00 0.00 C ATOM 830 CG2 VAL A 59 5.884 -3.322 2.443 1.00 0.00 C ATOM 0 H VAL A 59 9.347 -3.578 2.518 1.00 0.00 H new ATOM 0 HA VAL A 59 7.482 -4.231 0.356 1.00 0.00 H new ATOM 0 HB VAL A 59 7.268 -1.740 2.099 1.00 0.00 H new ATOM 0 HG11 VAL A 59 5.249 -1.273 0.777 1.00 0.00 H new ATOM 0 HG12 VAL A 59 6.709 -1.321 -0.239 1.00 0.00 H new ATOM 0 HG13 VAL A 59 5.584 -2.700 -0.232 1.00 0.00 H new ATOM 0 HG21 VAL A 59 5.101 -2.661 2.815 1.00 0.00 H new ATOM 0 HG22 VAL A 59 5.431 -4.147 1.892 1.00 0.00 H new ATOM 0 HG23 VAL A 59 6.455 -3.717 3.283 1.00 0.00 H new ATOM 840 N ASN A 60 8.577 -2.485 -1.143 1.00 0.00 N ATOM 841 CA ASN A 60 9.416 -1.713 -2.053 1.00 0.00 C ATOM 842 C ASN A 60 8.855 -0.307 -2.247 1.00 0.00 C ATOM 843 O ASN A 60 7.645 -0.121 -2.369 1.00 0.00 O ATOM 844 CB ASN A 60 9.524 -2.422 -3.404 1.00 0.00 C ATOM 845 CG ASN A 60 10.340 -1.631 -4.408 1.00 0.00 C ATOM 846 OD1 ASN A 60 9.659 -0.857 -5.246 1.00 0.00 O flip ATOM 847 ND2 ASN A 60 11.568 -1.714 -4.431 1.00 0.00 N flip ATOM 0 H ASN A 60 7.750 -2.896 -1.577 1.00 0.00 H new ATOM 0 HA ASN A 60 10.410 -1.632 -1.613 1.00 0.00 H new ATOM 0 HB2 ASN A 60 9.979 -3.402 -3.262 1.00 0.00 H new ATOM 0 HB3 ASN A 60 8.524 -2.590 -3.804 1.00 0.00 H new ATOM 0 HD21 ASN A 60 12.051 -2.321 -3.769 1.00 0.00 H new ATOM 0 HD22 ASN A 60 12.103 -1.176 -5.112 1.00 0.00 H new ATOM 854 N VAL A 61 9.745 0.680 -2.276 1.00 0.00 N ATOM 855 CA VAL A 61 9.341 2.068 -2.458 1.00 0.00 C ATOM 856 C VAL A 61 10.187 2.753 -3.526 1.00 0.00 C ATOM 857 O VAL A 61 11.415 2.789 -3.432 1.00 0.00 O ATOM 858 CB VAL A 61 9.454 2.862 -1.143 1.00 0.00 C ATOM 859 CG1 VAL A 61 10.758 2.534 -0.431 1.00 0.00 C ATOM 860 CG2 VAL A 61 9.345 4.356 -1.412 1.00 0.00 C ATOM 0 H VAL A 61 10.751 0.543 -2.176 1.00 0.00 H new ATOM 0 HA VAL A 61 8.299 2.054 -2.778 1.00 0.00 H new ATOM 0 HB VAL A 61 8.630 2.572 -0.492 1.00 0.00 H new ATOM 0 HG11 VAL A 61 10.820 3.104 0.496 1.00 0.00 H new ATOM 0 HG12 VAL A 61 10.791 1.468 -0.204 1.00 0.00 H new ATOM 0 HG13 VAL A 61 11.599 2.794 -1.074 1.00 0.00 H new ATOM 0 HG21 VAL A 61 9.427 4.902 -0.472 1.00 0.00 H new ATOM 0 HG22 VAL A 61 10.148 4.665 -2.082 1.00 0.00 H new ATOM 0 HG23 VAL A 61 8.382 4.573 -1.875 1.00 0.00 H new ATOM 870 N VAL A 62 9.523 3.293 -4.543 1.00 0.00 N ATOM 871 CA VAL A 62 10.214 3.979 -5.629 1.00 0.00 C ATOM 872 C VAL A 62 9.441 5.213 -6.081 1.00 0.00 C ATOM 873 O VAL A 62 8.243 5.141 -6.352 1.00 0.00 O ATOM 874 CB VAL A 62 10.423 3.047 -6.837 1.00 0.00 C ATOM 875 CG1 VAL A 62 11.165 3.772 -7.949 1.00 0.00 C ATOM 876 CG2 VAL A 62 11.170 1.789 -6.417 1.00 0.00 C ATOM 0 H VAL A 62 8.508 3.269 -4.638 1.00 0.00 H new ATOM 0 HA VAL A 62 11.186 4.285 -5.242 1.00 0.00 H new ATOM 0 HB VAL A 62 9.446 2.751 -7.219 1.00 0.00 H new ATOM 0 HG11 VAL A 62 11.303 3.098 -8.794 1.00 0.00 H new ATOM 0 HG12 VAL A 62 10.586 4.639 -8.268 1.00 0.00 H new ATOM 0 HG13 VAL A 62 12.138 4.100 -7.583 1.00 0.00 H new ATOM 0 HG21 VAL A 62 11.309 1.142 -7.283 1.00 0.00 H new ATOM 0 HG22 VAL A 62 12.143 2.063 -6.009 1.00 0.00 H new ATOM 0 HG23 VAL A 62 10.594 1.260 -5.658 1.00 0.00 H new ATOM 886 N ASP A 63 10.135 6.342 -6.158 1.00 0.00 N ATOM 887 CA ASP A 63 9.515 7.594 -6.578 1.00 0.00 C ATOM 888 C ASP A 63 9.528 7.723 -8.099 1.00 0.00 C ATOM 889 O ASP A 63 10.554 7.505 -8.741 1.00 0.00 O ATOM 890 CB ASP A 63 10.238 8.783 -5.946 1.00 0.00 C ATOM 891 CG ASP A 63 9.933 10.089 -6.656 1.00 0.00 C ATOM 892 OD1 ASP A 63 10.305 10.221 -7.841 1.00 0.00 O ATOM 893 OD2 ASP A 63 9.324 10.979 -6.025 1.00 0.00 O ATOM 0 H ASP A 63 11.128 6.417 -5.935 1.00 0.00 H new ATOM 0 HA ASP A 63 8.478 7.589 -6.241 1.00 0.00 H new ATOM 0 HB2 ASP A 63 9.948 8.866 -4.898 1.00 0.00 H new ATOM 0 HB3 ASP A 63 11.313 8.604 -5.966 1.00 0.00 H new ATOM 898 N ASN A 64 8.380 8.077 -8.667 1.00 0.00 N ATOM 899 CA ASN A 64 8.258 8.233 -10.112 1.00 0.00 C ATOM 900 C ASN A 64 8.959 9.505 -10.582 1.00 0.00 C ATOM 901 O ASN A 64 9.728 9.483 -11.542 1.00 0.00 O ATOM 902 CB ASN A 64 6.783 8.269 -10.519 1.00 0.00 C ATOM 903 CG ASN A 64 6.086 6.944 -10.283 1.00 0.00 C ATOM 904 OD1 ASN A 64 5.806 6.639 -9.021 1.00 0.00 O flip ATOM 905 ND2 ASN A 64 5.802 6.203 -11.224 1.00 0.00 N flip ATOM 0 H ASN A 64 7.521 8.261 -8.149 1.00 0.00 H new ATOM 0 HA ASN A 64 8.738 7.378 -10.588 1.00 0.00 H new ATOM 0 HB2 ASN A 64 6.273 9.050 -9.956 1.00 0.00 H new ATOM 0 HB3 ASN A 64 6.706 8.534 -11.573 1.00 0.00 H new ATOM 0 HD21 ASN A 64 6.036 6.478 -12.178 1.00 0.00 H new ATOM 0 HD22 ASN A 64 5.333 5.314 -11.050 1.00 0.00 H new ATOM 912 N GLY A 65 8.686 10.611 -9.897 1.00 0.00 N ATOM 913 CA GLY A 65 9.298 11.877 -10.259 1.00 0.00 C ATOM 914 C GLY A 65 8.278 12.916 -10.678 1.00 0.00 C ATOM 915 O GLY A 65 8.553 14.115 -10.646 1.00 0.00 O ATOM 0 H GLY A 65 8.053 10.654 -9.099 1.00 0.00 H new ATOM 0 HA2 GLY A 65 9.870 12.255 -9.412 1.00 0.00 H new ATOM 0 HA3 GLY A 65 10.004 11.716 -11.074 1.00 0.00 H new ATOM 919 N ASP A 66 7.096 12.456 -11.074 1.00 0.00 N ATOM 920 CA ASP A 66 6.030 13.354 -11.503 1.00 0.00 C ATOM 921 C ASP A 66 5.149 13.753 -10.323 1.00 0.00 C ATOM 922 O ASP A 66 4.789 14.919 -10.169 1.00 0.00 O ATOM 923 CB ASP A 66 5.182 12.692 -12.589 1.00 0.00 C ATOM 924 CG ASP A 66 5.976 12.396 -13.845 1.00 0.00 C ATOM 925 OD1 ASP A 66 6.428 13.358 -14.502 1.00 0.00 O ATOM 926 OD2 ASP A 66 6.146 11.203 -14.173 1.00 0.00 O ATOM 0 H ASP A 66 6.852 11.466 -11.107 1.00 0.00 H new ATOM 0 HA ASP A 66 6.489 14.254 -11.911 1.00 0.00 H new ATOM 0 HB2 ASP A 66 4.761 11.764 -12.202 1.00 0.00 H new ATOM 0 HB3 ASP A 66 4.344 13.343 -12.838 1.00 0.00 H new ATOM 931 N GLY A 67 4.803 12.774 -9.492 1.00 0.00 N ATOM 932 CA GLY A 67 3.965 13.042 -8.338 1.00 0.00 C ATOM 933 C GLY A 67 3.347 11.782 -7.765 1.00 0.00 C ATOM 934 O GLY A 67 2.231 11.810 -7.245 1.00 0.00 O ATOM 0 H GLY A 67 5.088 11.800 -9.598 1.00 0.00 H new ATOM 0 HA2 GLY A 67 4.559 13.534 -7.568 1.00 0.00 H new ATOM 0 HA3 GLY A 67 3.173 13.735 -8.621 1.00 0.00 H new ATOM 938 N THR A 68 4.072 10.673 -7.861 1.00 0.00 N ATOM 939 CA THR A 68 3.587 9.396 -7.350 1.00 0.00 C ATOM 940 C THR A 68 4.743 8.501 -6.920 1.00 0.00 C ATOM 941 O THR A 68 5.911 8.866 -7.062 1.00 0.00 O ATOM 942 CB THR A 68 2.743 8.655 -8.404 1.00 0.00 C ATOM 943 OG1 THR A 68 3.560 8.301 -9.526 1.00 0.00 O ATOM 944 CG2 THR A 68 1.579 9.516 -8.869 1.00 0.00 C ATOM 0 H THR A 68 4.997 10.632 -8.288 1.00 0.00 H new ATOM 0 HA THR A 68 2.962 9.618 -6.485 1.00 0.00 H new ATOM 0 HB THR A 68 2.344 7.750 -7.946 1.00 0.00 H new ATOM 0 HG1 THR A 68 3.016 7.829 -10.191 1.00 0.00 H new ATOM 0 HG21 THR A 68 0.998 8.971 -9.613 1.00 0.00 H new ATOM 0 HG22 THR A 68 0.943 9.758 -8.018 1.00 0.00 H new ATOM 0 HG23 THR A 68 1.961 10.437 -9.310 1.00 0.00 H new ATOM 952 N HIS A 69 4.412 7.326 -6.393 1.00 0.00 N ATOM 953 CA HIS A 69 5.424 6.377 -5.942 1.00 0.00 C ATOM 954 C HIS A 69 4.958 4.942 -6.161 1.00 0.00 C ATOM 955 O HIS A 69 3.840 4.577 -5.793 1.00 0.00 O ATOM 956 CB HIS A 69 5.743 6.604 -4.464 1.00 0.00 C ATOM 957 CG HIS A 69 6.005 8.038 -4.120 1.00 0.00 C ATOM 958 ND1 HIS A 69 5.227 9.137 -4.258 1.00 0.00 N flip ATOM 959 CD2 HIS A 69 7.189 8.474 -3.565 1.00 0.00 C flip ATOM 960 CE1 HIS A 69 5.948 10.207 -3.787 1.00 0.00 C flip ATOM 961 NE2 HIS A 69 7.128 9.781 -3.374 1.00 0.00 N flip ATOM 0 H HIS A 69 3.451 7.008 -6.268 1.00 0.00 H new ATOM 0 HA HIS A 69 6.328 6.540 -6.529 1.00 0.00 H new ATOM 0 HB2 HIS A 69 4.910 6.241 -3.861 1.00 0.00 H new ATOM 0 HB3 HIS A 69 6.615 6.009 -4.194 1.00 0.00 H new ATOM 0 HD2 HIS A 69 8.034 7.846 -3.324 1.00 0.00 H new ATOM 0 HE1 HIS A 69 5.605 11.231 -3.759 1.00 0.00 H new ATOM 0 HE2 HIS A 69 7.866 10.361 -2.976 1.00 0.00 H new ATOM 970 N THR A 70 5.821 4.129 -6.763 1.00 0.00 N ATOM 971 CA THR A 70 5.497 2.734 -7.031 1.00 0.00 C ATOM 972 C THR A 70 5.915 1.838 -5.870 1.00 0.00 C ATOM 973 O THR A 70 6.990 2.011 -5.296 1.00 0.00 O ATOM 974 CB THR A 70 6.181 2.237 -8.320 1.00 0.00 C ATOM 975 OG1 THR A 70 5.609 2.887 -9.460 1.00 0.00 O ATOM 976 CG2 THR A 70 6.035 0.730 -8.462 1.00 0.00 C ATOM 0 H THR A 70 6.750 4.413 -7.074 1.00 0.00 H new ATOM 0 HA THR A 70 4.416 2.679 -7.156 1.00 0.00 H new ATOM 0 HB THR A 70 7.242 2.479 -8.260 1.00 0.00 H new ATOM 0 HG1 THR A 70 6.050 2.567 -10.275 1.00 0.00 H new ATOM 0 HG21 THR A 70 6.525 0.402 -9.379 1.00 0.00 H new ATOM 0 HG22 THR A 70 6.498 0.237 -7.607 1.00 0.00 H new ATOM 0 HG23 THR A 70 4.977 0.469 -8.503 1.00 0.00 H new ATOM 984 N VAL A 71 5.058 0.882 -5.529 1.00 0.00 N ATOM 985 CA VAL A 71 5.338 -0.042 -4.437 1.00 0.00 C ATOM 986 C VAL A 71 5.116 -1.487 -4.868 1.00 0.00 C ATOM 987 O VAL A 71 3.982 -1.914 -5.091 1.00 0.00 O ATOM 988 CB VAL A 71 4.458 0.256 -3.209 1.00 0.00 C ATOM 989 CG1 VAL A 71 4.818 -0.669 -2.056 1.00 0.00 C ATOM 990 CG2 VAL A 71 4.598 1.714 -2.795 1.00 0.00 C ATOM 0 H VAL A 71 4.163 0.727 -5.994 1.00 0.00 H new ATOM 0 HA VAL A 71 6.385 0.097 -4.167 1.00 0.00 H new ATOM 0 HB VAL A 71 3.417 0.075 -3.478 1.00 0.00 H new ATOM 0 HG11 VAL A 71 4.186 -0.443 -1.197 1.00 0.00 H new ATOM 0 HG12 VAL A 71 4.663 -1.705 -2.358 1.00 0.00 H new ATOM 0 HG13 VAL A 71 5.864 -0.523 -1.785 1.00 0.00 H new ATOM 0 HG21 VAL A 71 3.969 1.907 -1.926 1.00 0.00 H new ATOM 0 HG22 VAL A 71 5.638 1.923 -2.544 1.00 0.00 H new ATOM 0 HG23 VAL A 71 4.287 2.357 -3.618 1.00 0.00 H new ATOM 1000 N THR A 72 6.206 -2.239 -4.984 1.00 0.00 N ATOM 1001 CA THR A 72 6.131 -3.637 -5.389 1.00 0.00 C ATOM 1002 C THR A 72 6.253 -4.566 -4.187 1.00 0.00 C ATOM 1003 O THR A 72 6.978 -4.273 -3.235 1.00 0.00 O ATOM 1004 CB THR A 72 7.233 -3.986 -6.408 1.00 0.00 C ATOM 1005 OG1 THR A 72 8.519 -3.671 -5.865 1.00 0.00 O ATOM 1006 CG2 THR A 72 7.026 -3.227 -7.710 1.00 0.00 C ATOM 0 H THR A 72 7.152 -1.903 -4.803 1.00 0.00 H new ATOM 0 HA THR A 72 5.156 -3.779 -5.856 1.00 0.00 H new ATOM 0 HB THR A 72 7.179 -5.054 -6.617 1.00 0.00 H new ATOM 0 HG1 THR A 72 9.214 -3.897 -6.518 1.00 0.00 H new ATOM 0 HG21 THR A 72 7.816 -3.490 -8.414 1.00 0.00 H new ATOM 0 HG22 THR A 72 6.058 -3.492 -8.136 1.00 0.00 H new ATOM 0 HG23 THR A 72 7.055 -2.155 -7.515 1.00 0.00 H new ATOM 1014 N TYR A 73 5.543 -5.687 -4.236 1.00 0.00 N ATOM 1015 CA TYR A 73 5.571 -6.658 -3.149 1.00 0.00 C ATOM 1016 C TYR A 73 4.986 -7.994 -3.597 1.00 0.00 C ATOM 1017 O TYR A 73 4.386 -8.095 -4.669 1.00 0.00 O ATOM 1018 CB TYR A 73 4.793 -6.128 -1.943 1.00 0.00 C ATOM 1019 CG TYR A 73 3.307 -6.397 -2.013 1.00 0.00 C ATOM 1020 CD1 TYR A 73 2.460 -5.549 -2.715 1.00 0.00 C ATOM 1021 CD2 TYR A 73 2.751 -7.500 -1.377 1.00 0.00 C ATOM 1022 CE1 TYR A 73 1.102 -5.791 -2.782 1.00 0.00 C ATOM 1023 CE2 TYR A 73 1.394 -7.750 -1.439 1.00 0.00 C ATOM 1024 CZ TYR A 73 0.574 -6.893 -2.142 1.00 0.00 C ATOM 1025 OH TYR A 73 -0.779 -7.138 -2.206 1.00 0.00 O ATOM 0 H TYR A 73 4.941 -5.946 -5.017 1.00 0.00 H new ATOM 0 HA TYR A 73 6.611 -6.814 -2.863 1.00 0.00 H new ATOM 0 HB2 TYR A 73 5.193 -6.581 -1.036 1.00 0.00 H new ATOM 0 HB3 TYR A 73 4.955 -5.053 -1.861 1.00 0.00 H new ATOM 0 HD1 TYR A 73 2.871 -4.685 -3.217 1.00 0.00 H new ATOM 0 HD2 TYR A 73 3.390 -8.173 -0.825 1.00 0.00 H new ATOM 0 HE1 TYR A 73 0.457 -5.122 -3.332 1.00 0.00 H new ATOM 0 HE2 TYR A 73 0.977 -8.612 -0.939 1.00 0.00 H new ATOM 0 HH TYR A 73 -1.231 -6.372 -2.616 1.00 0.00 H new ATOM 1035 N THR A 74 5.163 -9.018 -2.768 1.00 0.00 N ATOM 1036 CA THR A 74 4.656 -10.349 -3.078 1.00 0.00 C ATOM 1037 C THR A 74 4.224 -11.080 -1.812 1.00 0.00 C ATOM 1038 O THR A 74 5.041 -11.433 -0.960 1.00 0.00 O ATOM 1039 CB THR A 74 5.710 -11.197 -3.812 1.00 0.00 C ATOM 1040 OG1 THR A 74 6.100 -10.548 -5.029 1.00 0.00 O ATOM 1041 CG2 THR A 74 5.169 -12.585 -4.123 1.00 0.00 C ATOM 0 H THR A 74 5.654 -8.951 -1.876 1.00 0.00 H new ATOM 0 HA THR A 74 3.793 -10.214 -3.730 1.00 0.00 H new ATOM 0 HB THR A 74 6.578 -11.301 -3.161 1.00 0.00 H new ATOM 0 HG1 THR A 74 6.772 -11.093 -5.489 1.00 0.00 H new ATOM 0 HG21 THR A 74 5.932 -13.165 -4.642 1.00 0.00 H new ATOM 0 HG22 THR A 74 4.900 -13.087 -3.194 1.00 0.00 H new ATOM 0 HG23 THR A 74 4.286 -12.498 -4.757 1.00 0.00 H new ATOM 1049 N PRO A 75 2.910 -11.316 -1.682 1.00 0.00 N ATOM 1050 CA PRO A 75 2.342 -12.009 -0.523 1.00 0.00 C ATOM 1051 C PRO A 75 2.709 -13.489 -0.494 1.00 0.00 C ATOM 1052 O PRO A 75 2.038 -14.317 -1.110 1.00 0.00 O ATOM 1053 CB PRO A 75 0.832 -11.837 -0.712 1.00 0.00 C ATOM 1054 CG PRO A 75 0.652 -11.652 -2.179 1.00 0.00 C ATOM 1055 CD PRO A 75 1.880 -10.924 -2.657 1.00 0.00 C ATOM 0 HA PRO A 75 2.717 -11.605 0.417 1.00 0.00 H new ATOM 0 HB2 PRO A 75 0.286 -12.710 -0.353 1.00 0.00 H new ATOM 0 HB3 PRO A 75 0.459 -10.977 -0.156 1.00 0.00 H new ATOM 0 HG2 PRO A 75 0.546 -12.612 -2.684 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -0.250 -11.078 -2.393 1.00 0.00 H new ATOM 0 HD2 PRO A 75 2.153 -11.219 -3.670 1.00 0.00 H new ATOM 0 HD3 PRO A 75 1.728 -9.845 -2.669 1.00 0.00 H new ATOM 1063 N SER A 76 3.779 -13.815 0.225 1.00 0.00 N ATOM 1064 CA SER A 76 4.236 -15.195 0.331 1.00 0.00 C ATOM 1065 C SER A 76 3.057 -16.161 0.320 1.00 0.00 C ATOM 1066 O SER A 76 2.960 -17.028 -0.547 1.00 0.00 O ATOM 1067 CB SER A 76 5.055 -15.385 1.609 1.00 0.00 C ATOM 1068 OG SER A 76 5.763 -16.614 1.583 1.00 0.00 O ATOM 0 H SER A 76 4.345 -13.142 0.742 1.00 0.00 H new ATOM 0 HA SER A 76 4.866 -15.411 -0.532 1.00 0.00 H new ATOM 0 HB2 SER A 76 5.758 -14.559 1.721 1.00 0.00 H new ATOM 0 HB3 SER A 76 4.394 -15.361 2.475 1.00 0.00 H new ATOM 0 HG SER A 76 6.280 -16.711 2.410 1.00 0.00 H new ATOM 1074 N GLN A 77 2.162 -16.005 1.291 1.00 0.00 N ATOM 1075 CA GLN A 77 0.990 -16.865 1.395 1.00 0.00 C ATOM 1076 C GLN A 77 -0.293 -16.060 1.210 1.00 0.00 C ATOM 1077 O GLN A 77 -0.269 -14.829 1.212 1.00 0.00 O ATOM 1078 CB GLN A 77 0.970 -17.576 2.748 1.00 0.00 C ATOM 1079 CG GLN A 77 0.980 -16.625 3.936 1.00 0.00 C ATOM 1080 CD GLN A 77 1.303 -17.325 5.241 1.00 0.00 C ATOM 1081 OE1 GLN A 77 1.766 -18.466 5.248 1.00 0.00 O ATOM 1082 NE2 GLN A 77 1.061 -16.643 6.354 1.00 0.00 N ATOM 0 H GLN A 77 2.227 -15.291 2.016 1.00 0.00 H new ATOM 0 HA GLN A 77 1.047 -17.611 0.603 1.00 0.00 H new ATOM 0 HB2 GLN A 77 0.082 -18.206 2.805 1.00 0.00 H new ATOM 0 HB3 GLN A 77 1.834 -18.237 2.815 1.00 0.00 H new ATOM 0 HG2 GLN A 77 1.712 -15.837 3.760 1.00 0.00 H new ATOM 0 HG3 GLN A 77 0.006 -16.142 4.018 1.00 0.00 H new ATOM 0 HE21 GLN A 77 0.677 -15.700 6.301 1.00 0.00 H new ATOM 0 HE22 GLN A 77 1.259 -17.062 7.262 1.00 0.00 H new ATOM 1091 N GLU A 78 -1.410 -16.763 1.053 1.00 0.00 N ATOM 1092 CA GLU A 78 -2.702 -16.112 0.866 1.00 0.00 C ATOM 1093 C GLU A 78 -3.376 -15.847 2.210 1.00 0.00 C ATOM 1094 O GLU A 78 -2.930 -16.336 3.248 1.00 0.00 O ATOM 1095 CB GLU A 78 -3.611 -16.976 -0.011 1.00 0.00 C ATOM 1096 CG GLU A 78 -3.924 -18.335 0.590 1.00 0.00 C ATOM 1097 CD GLU A 78 -2.867 -19.373 0.267 1.00 0.00 C ATOM 1098 OE1 GLU A 78 -2.136 -19.185 -0.727 1.00 0.00 O ATOM 1099 OE2 GLU A 78 -2.771 -20.373 1.010 1.00 0.00 O ATOM 0 H GLU A 78 -1.447 -17.782 1.052 1.00 0.00 H new ATOM 0 HA GLU A 78 -2.531 -15.157 0.369 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -4.545 -16.443 -0.188 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -3.137 -17.118 -0.982 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -4.014 -18.238 1.672 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -4.890 -18.678 0.220 1.00 0.00 H new ATOM 1106 N GLY A 79 -4.451 -15.066 2.182 1.00 0.00 N ATOM 1107 CA GLY A 79 -5.169 -14.748 3.402 1.00 0.00 C ATOM 1108 C GLY A 79 -5.391 -13.258 3.572 1.00 0.00 C ATOM 1109 O GLY A 79 -4.952 -12.447 2.757 1.00 0.00 O ATOM 0 H GLY A 79 -4.838 -14.648 1.336 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -6.133 -15.258 3.396 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -4.612 -15.129 4.258 1.00 0.00 H new ATOM 1113 N PRO A 80 -6.090 -12.880 4.652 1.00 0.00 N ATOM 1114 CA PRO A 80 -6.385 -11.475 4.952 1.00 0.00 C ATOM 1115 C PRO A 80 -5.141 -10.695 5.361 1.00 0.00 C ATOM 1116 O PRO A 80 -4.762 -10.683 6.533 1.00 0.00 O ATOM 1117 CB PRO A 80 -7.371 -11.562 6.120 1.00 0.00 C ATOM 1118 CG PRO A 80 -7.074 -12.868 6.770 1.00 0.00 C ATOM 1119 CD PRO A 80 -6.644 -13.793 5.666 1.00 0.00 C ATOM 0 HA PRO A 80 -6.777 -10.946 4.083 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -7.235 -10.734 6.815 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -8.403 -11.519 5.771 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -6.288 -12.762 7.518 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -7.953 -13.257 7.284 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -5.899 -14.511 6.010 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -7.483 -14.368 5.274 1.00 0.00 H new ATOM 1127 N TYR A 81 -4.511 -10.044 4.391 1.00 0.00 N ATOM 1128 CA TYR A 81 -3.307 -9.263 4.652 1.00 0.00 C ATOM 1129 C TYR A 81 -3.661 -7.831 5.043 1.00 0.00 C ATOM 1130 O TYR A 81 -4.822 -7.429 4.982 1.00 0.00 O ATOM 1131 CB TYR A 81 -2.401 -9.257 3.419 1.00 0.00 C ATOM 1132 CG TYR A 81 -1.399 -10.389 3.398 1.00 0.00 C ATOM 1133 CD1 TYR A 81 -1.788 -11.692 3.680 1.00 0.00 C ATOM 1134 CD2 TYR A 81 -0.063 -10.154 3.099 1.00 0.00 C ATOM 1135 CE1 TYR A 81 -0.876 -12.730 3.663 1.00 0.00 C ATOM 1136 CE2 TYR A 81 0.856 -11.187 3.078 1.00 0.00 C ATOM 1137 CZ TYR A 81 0.445 -12.471 3.361 1.00 0.00 C ATOM 1138 OH TYR A 81 1.357 -13.502 3.344 1.00 0.00 O ATOM 0 H TYR A 81 -4.813 -10.041 3.417 1.00 0.00 H new ATOM 0 HA TYR A 81 -2.776 -9.727 5.483 1.00 0.00 H new ATOM 0 HB2 TYR A 81 -3.020 -9.314 2.524 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -1.866 -8.308 3.376 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -2.821 -11.898 3.917 1.00 0.00 H new ATOM 0 HD2 TYR A 81 0.263 -9.148 2.879 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -1.195 -13.738 3.885 1.00 0.00 H new ATOM 0 HE2 TYR A 81 1.891 -10.988 2.841 1.00 0.00 H new ATOM 0 HH TYR A 81 2.242 -13.152 3.112 1.00 0.00 H new ATOM 1148 N MET A 82 -2.650 -7.068 5.444 1.00 0.00 N ATOM 1149 CA MET A 82 -2.854 -5.680 5.844 1.00 0.00 C ATOM 1150 C MET A 82 -1.669 -4.814 5.426 1.00 0.00 C ATOM 1151 O MET A 82 -0.545 -5.020 5.886 1.00 0.00 O ATOM 1152 CB MET A 82 -3.059 -5.588 7.358 1.00 0.00 C ATOM 1153 CG MET A 82 -3.387 -4.186 7.842 1.00 0.00 C ATOM 1154 SD MET A 82 -3.824 -4.139 9.591 1.00 0.00 S ATOM 1155 CE MET A 82 -2.440 -3.220 10.261 1.00 0.00 C ATOM 0 H MET A 82 -1.683 -7.386 5.501 1.00 0.00 H new ATOM 0 HA MET A 82 -3.747 -5.310 5.340 1.00 0.00 H new ATOM 0 HB2 MET A 82 -3.865 -6.262 7.649 1.00 0.00 H new ATOM 0 HB3 MET A 82 -2.156 -5.935 7.860 1.00 0.00 H new ATOM 0 HG2 MET A 82 -2.529 -3.536 7.668 1.00 0.00 H new ATOM 0 HG3 MET A 82 -4.214 -3.787 7.254 1.00 0.00 H new ATOM 0 HE1 MET A 82 -2.655 -2.938 11.292 1.00 0.00 H new ATOM 0 HE2 MET A 82 -1.544 -3.840 10.234 1.00 0.00 H new ATOM 0 HE3 MET A 82 -2.278 -2.321 9.666 1.00 0.00 H new ATOM 1165 N VAL A 83 -1.927 -3.847 4.553 1.00 0.00 N ATOM 1166 CA VAL A 83 -0.882 -2.950 4.074 1.00 0.00 C ATOM 1167 C VAL A 83 -1.053 -1.549 4.651 1.00 0.00 C ATOM 1168 O VAL A 83 -1.811 -0.737 4.123 1.00 0.00 O ATOM 1169 CB VAL A 83 -0.880 -2.862 2.536 1.00 0.00 C ATOM 1170 CG1 VAL A 83 0.126 -1.823 2.062 1.00 0.00 C ATOM 1171 CG2 VAL A 83 -0.581 -4.222 1.925 1.00 0.00 C ATOM 0 H VAL A 83 -2.851 -3.664 4.162 1.00 0.00 H new ATOM 0 HA VAL A 83 0.069 -3.365 4.409 1.00 0.00 H new ATOM 0 HB VAL A 83 -1.871 -2.551 2.206 1.00 0.00 H new ATOM 0 HG11 VAL A 83 0.114 -1.775 0.973 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -0.138 -0.848 2.472 1.00 0.00 H new ATOM 0 HG13 VAL A 83 1.124 -2.101 2.401 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -0.584 -4.141 0.838 1.00 0.00 H new ATOM 0 HG22 VAL A 83 0.398 -4.565 2.261 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -1.342 -4.937 2.237 1.00 0.00 H new ATOM 1181 N SER A 84 -0.341 -1.275 5.740 1.00 0.00 N ATOM 1182 CA SER A 84 -0.416 0.027 6.393 1.00 0.00 C ATOM 1183 C SER A 84 0.440 1.054 5.657 1.00 0.00 C ATOM 1184 O SER A 84 1.482 0.720 5.092 1.00 0.00 O ATOM 1185 CB SER A 84 0.039 -0.083 7.850 1.00 0.00 C ATOM 1186 OG SER A 84 -0.361 1.054 8.595 1.00 0.00 O ATOM 0 H SER A 84 0.293 -1.936 6.188 1.00 0.00 H new ATOM 0 HA SER A 84 -1.454 0.360 6.368 1.00 0.00 H new ATOM 0 HB2 SER A 84 -0.382 -0.983 8.299 1.00 0.00 H new ATOM 0 HB3 SER A 84 1.124 -0.185 7.889 1.00 0.00 H new ATOM 0 HG SER A 84 -1.043 1.550 8.095 1.00 0.00 H new ATOM 1192 N VAL A 85 -0.007 2.305 5.669 1.00 0.00 N ATOM 1193 CA VAL A 85 0.717 3.382 5.004 1.00 0.00 C ATOM 1194 C VAL A 85 0.642 4.674 5.809 1.00 0.00 C ATOM 1195 O VAL A 85 -0.426 5.062 6.284 1.00 0.00 O ATOM 1196 CB VAL A 85 0.167 3.640 3.589 1.00 0.00 C ATOM 1197 CG1 VAL A 85 0.891 4.807 2.938 1.00 0.00 C ATOM 1198 CG2 VAL A 85 0.285 2.385 2.736 1.00 0.00 C ATOM 0 H VAL A 85 -0.867 2.598 6.132 1.00 0.00 H new ATOM 0 HA VAL A 85 1.757 3.063 4.929 1.00 0.00 H new ATOM 0 HB VAL A 85 -0.888 3.900 3.670 1.00 0.00 H new ATOM 0 HG11 VAL A 85 0.488 4.973 1.939 1.00 0.00 H new ATOM 0 HG12 VAL A 85 0.750 5.704 3.540 1.00 0.00 H new ATOM 0 HG13 VAL A 85 1.955 4.581 2.867 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -0.108 2.584 1.739 1.00 0.00 H new ATOM 0 HG22 VAL A 85 1.333 2.093 2.661 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -0.285 1.578 3.196 1.00 0.00 H new ATOM 1208 N LYS A 86 1.783 5.339 5.961 1.00 0.00 N ATOM 1209 CA LYS A 86 1.847 6.590 6.706 1.00 0.00 C ATOM 1210 C LYS A 86 2.375 7.721 5.830 1.00 0.00 C ATOM 1211 O LYS A 86 2.877 7.484 4.731 1.00 0.00 O ATOM 1212 CB LYS A 86 2.740 6.427 7.939 1.00 0.00 C ATOM 1213 CG LYS A 86 2.321 7.294 9.113 1.00 0.00 C ATOM 1214 CD LYS A 86 2.980 6.840 10.406 1.00 0.00 C ATOM 1215 CE LYS A 86 2.282 7.428 11.622 1.00 0.00 C ATOM 1216 NZ LYS A 86 2.944 7.019 12.892 1.00 0.00 N ATOM 0 H LYS A 86 2.677 5.031 5.577 1.00 0.00 H new ATOM 0 HA LYS A 86 0.837 6.845 7.026 1.00 0.00 H new ATOM 0 HB2 LYS A 86 2.730 5.382 8.248 1.00 0.00 H new ATOM 0 HB3 LYS A 86 3.767 6.670 7.668 1.00 0.00 H new ATOM 0 HG2 LYS A 86 2.587 8.332 8.913 1.00 0.00 H new ATOM 0 HG3 LYS A 86 1.237 7.258 9.224 1.00 0.00 H new ATOM 0 HD2 LYS A 86 2.959 5.752 10.464 1.00 0.00 H new ATOM 0 HD3 LYS A 86 4.028 7.139 10.406 1.00 0.00 H new ATOM 0 HE2 LYS A 86 2.278 8.515 11.548 1.00 0.00 H new ATOM 0 HE3 LYS A 86 1.241 7.106 11.635 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 2.439 7.440 13.698 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 2.926 5.982 12.975 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 3.930 7.349 12.891 1.00 0.00 H new ATOM 1230 N TYR A 87 2.259 8.949 6.323 1.00 0.00 N ATOM 1231 CA TYR A 87 2.723 10.116 5.583 1.00 0.00 C ATOM 1232 C TYR A 87 3.055 11.264 6.530 1.00 0.00 C ATOM 1233 O TYR A 87 2.162 11.900 7.089 1.00 0.00 O ATOM 1234 CB TYR A 87 1.664 10.562 4.574 1.00 0.00 C ATOM 1235 CG TYR A 87 2.235 11.286 3.376 1.00 0.00 C ATOM 1236 CD1 TYR A 87 2.847 10.585 2.343 1.00 0.00 C ATOM 1237 CD2 TYR A 87 2.163 12.669 3.276 1.00 0.00 C ATOM 1238 CE1 TYR A 87 3.371 11.243 1.247 1.00 0.00 C ATOM 1239 CE2 TYR A 87 2.682 13.335 2.183 1.00 0.00 C ATOM 1240 CZ TYR A 87 3.286 12.617 1.171 1.00 0.00 C ATOM 1241 OH TYR A 87 3.806 13.277 0.081 1.00 0.00 O ATOM 0 H TYR A 87 1.848 9.162 7.232 1.00 0.00 H new ATOM 0 HA TYR A 87 3.630 9.837 5.047 1.00 0.00 H new ATOM 0 HB2 TYR A 87 1.111 9.688 4.230 1.00 0.00 H new ATOM 0 HB3 TYR A 87 0.949 11.214 5.075 1.00 0.00 H new ATOM 0 HD1 TYR A 87 2.914 9.508 2.398 1.00 0.00 H new ATOM 0 HD2 TYR A 87 1.693 13.234 4.067 1.00 0.00 H new ATOM 0 HE1 TYR A 87 3.845 10.684 0.454 1.00 0.00 H new ATOM 0 HE2 TYR A 87 2.616 14.411 2.121 1.00 0.00 H new ATOM 0 HH TYR A 87 4.776 13.369 0.186 1.00 0.00 H new ATOM 1251 N ALA A 88 4.347 11.526 6.704 1.00 0.00 N ATOM 1252 CA ALA A 88 4.798 12.600 7.580 1.00 0.00 C ATOM 1253 C ALA A 88 4.438 12.310 9.033 1.00 0.00 C ATOM 1254 O ALA A 88 3.998 13.198 9.763 1.00 0.00 O ATOM 1255 CB ALA A 88 4.199 13.927 7.141 1.00 0.00 C ATOM 0 H ALA A 88 5.099 11.009 6.249 1.00 0.00 H new ATOM 0 HA ALA A 88 5.884 12.663 7.507 1.00 0.00 H new ATOM 0 HB1 ALA A 88 4.545 14.720 7.805 1.00 0.00 H new ATOM 0 HB2 ALA A 88 4.511 14.147 6.120 1.00 0.00 H new ATOM 0 HB3 ALA A 88 3.111 13.867 7.183 1.00 0.00 H new ATOM 1261 N ASP A 89 4.627 11.061 9.448 1.00 0.00 N ATOM 1262 CA ASP A 89 4.322 10.655 10.814 1.00 0.00 C ATOM 1263 C ASP A 89 2.834 10.811 11.108 1.00 0.00 C ATOM 1264 O ASP A 89 2.445 11.149 12.226 1.00 0.00 O ATOM 1265 CB ASP A 89 5.141 11.478 11.808 1.00 0.00 C ATOM 1266 CG ASP A 89 6.591 11.041 11.867 1.00 0.00 C ATOM 1267 OD1 ASP A 89 6.867 9.860 11.569 1.00 0.00 O ATOM 1268 OD2 ASP A 89 7.451 11.879 12.211 1.00 0.00 O ATOM 0 H ASP A 89 4.990 10.313 8.857 1.00 0.00 H new ATOM 0 HA ASP A 89 4.586 9.603 10.922 1.00 0.00 H new ATOM 0 HB2 ASP A 89 5.093 12.531 11.530 1.00 0.00 H new ATOM 0 HB3 ASP A 89 4.698 11.390 12.800 1.00 0.00 H new ATOM 1273 N GLU A 90 2.006 10.564 10.098 1.00 0.00 N ATOM 1274 CA GLU A 90 0.560 10.680 10.249 1.00 0.00 C ATOM 1275 C GLU A 90 -0.161 9.647 9.388 1.00 0.00 C ATOM 1276 O GLU A 90 -0.246 9.791 8.169 1.00 0.00 O ATOM 1277 CB GLU A 90 0.097 12.088 9.871 1.00 0.00 C ATOM 1278 CG GLU A 90 0.588 13.166 10.823 1.00 0.00 C ATOM 1279 CD GLU A 90 -0.169 14.471 10.667 1.00 0.00 C ATOM 1280 OE1 GLU A 90 -1.366 14.425 10.314 1.00 0.00 O ATOM 1281 OE2 GLU A 90 0.437 15.539 10.898 1.00 0.00 O ATOM 0 H GLU A 90 2.312 10.282 9.166 1.00 0.00 H new ATOM 0 HA GLU A 90 0.313 10.493 11.294 1.00 0.00 H new ATOM 0 HB2 GLU A 90 0.446 12.318 8.864 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -0.992 12.108 9.844 1.00 0.00 H new ATOM 0 HG2 GLU A 90 0.488 12.812 11.849 1.00 0.00 H new ATOM 0 HG3 GLU A 90 1.649 13.343 10.649 1.00 0.00 H new ATOM 1288 N GLU A 91 -0.680 8.606 10.033 1.00 0.00 N ATOM 1289 CA GLU A 91 -1.392 7.548 9.326 1.00 0.00 C ATOM 1290 C GLU A 91 -2.470 8.133 8.417 1.00 0.00 C ATOM 1291 O GLU A 91 -3.437 8.732 8.888 1.00 0.00 O ATOM 1292 CB GLU A 91 -2.023 6.574 10.323 1.00 0.00 C ATOM 1293 CG GLU A 91 -1.147 5.374 10.639 1.00 0.00 C ATOM 1294 CD GLU A 91 -1.440 4.781 12.003 1.00 0.00 C ATOM 1295 OE1 GLU A 91 -0.882 5.284 13.002 1.00 0.00 O ATOM 1296 OE2 GLU A 91 -2.227 3.814 12.073 1.00 0.00 O ATOM 0 H GLU A 91 -0.621 8.473 11.043 1.00 0.00 H new ATOM 0 HA GLU A 91 -0.673 7.009 8.709 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -2.243 7.106 11.248 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -2.974 6.223 9.923 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -1.295 4.610 9.876 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -0.099 5.672 10.594 1.00 0.00 H new ATOM 1303 N ILE A 92 -2.295 7.953 7.113 1.00 0.00 N ATOM 1304 CA ILE A 92 -3.252 8.461 6.138 1.00 0.00 C ATOM 1305 C ILE A 92 -4.665 7.980 6.450 1.00 0.00 C ATOM 1306 O ILE A 92 -4.868 6.930 7.061 1.00 0.00 O ATOM 1307 CB ILE A 92 -2.881 8.030 4.706 1.00 0.00 C ATOM 1308 CG1 ILE A 92 -2.911 6.504 4.586 1.00 0.00 C ATOM 1309 CG2 ILE A 92 -1.509 8.570 4.330 1.00 0.00 C ATOM 1310 CD1 ILE A 92 -2.902 6.011 3.156 1.00 0.00 C ATOM 0 H ILE A 92 -1.500 7.460 6.707 1.00 0.00 H new ATOM 0 HA ILE A 92 -3.218 9.549 6.202 1.00 0.00 H new ATOM 0 HB ILE A 92 -3.615 8.444 4.015 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -2.050 6.089 5.110 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -3.802 6.126 5.087 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -1.260 8.257 3.316 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -1.520 9.659 4.382 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -0.763 8.181 5.023 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -2.924 4.921 3.147 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -3.777 6.396 2.633 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -1.998 6.360 2.657 1.00 0.00 H new ATOM 1322 N PRO A 93 -5.666 8.764 6.023 1.00 0.00 N ATOM 1323 CA PRO A 93 -7.077 8.437 6.244 1.00 0.00 C ATOM 1324 C PRO A 93 -7.531 7.238 5.418 1.00 0.00 C ATOM 1325 O PRO A 93 -8.714 6.896 5.401 1.00 0.00 O ATOM 1326 CB PRO A 93 -7.810 9.704 5.795 1.00 0.00 C ATOM 1327 CG PRO A 93 -6.888 10.348 4.818 1.00 0.00 C ATOM 1328 CD PRO A 93 -5.496 10.030 5.289 1.00 0.00 C ATOM 0 HA PRO A 93 -7.273 8.159 7.280 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -8.769 9.465 5.336 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -8.016 10.363 6.639 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -7.056 9.965 3.812 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -7.050 11.425 4.780 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -4.804 9.921 4.454 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -5.099 10.817 5.931 1.00 0.00 H new ATOM 1336 N ARG A 94 -6.585 6.605 4.733 1.00 0.00 N ATOM 1337 CA ARG A 94 -6.889 5.445 3.903 1.00 0.00 C ATOM 1338 C ARG A 94 -6.141 4.211 4.401 1.00 0.00 C ATOM 1339 O ARG A 94 -6.213 3.142 3.792 1.00 0.00 O ATOM 1340 CB ARG A 94 -6.521 5.724 2.445 1.00 0.00 C ATOM 1341 CG ARG A 94 -7.452 6.710 1.760 1.00 0.00 C ATOM 1342 CD ARG A 94 -8.678 6.015 1.190 1.00 0.00 C ATOM 1343 NE ARG A 94 -8.465 5.571 -0.184 1.00 0.00 N ATOM 1344 CZ ARG A 94 -9.167 4.600 -0.761 1.00 0.00 C ATOM 1345 NH1 ARG A 94 -10.122 3.976 -0.084 1.00 0.00 N ATOM 1346 NH2 ARG A 94 -8.915 4.253 -2.016 1.00 0.00 N ATOM 0 H ARG A 94 -5.602 6.875 4.736 1.00 0.00 H new ATOM 0 HA ARG A 94 -7.960 5.252 3.969 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -5.503 6.110 2.404 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -6.529 4.785 1.891 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -7.764 7.473 2.473 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -6.917 7.221 0.960 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -8.931 5.157 1.813 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -9.529 6.695 1.223 1.00 0.00 H new ATOM 0 HE ARG A 94 -7.738 6.031 -0.732 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -10.319 4.241 0.881 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -10.659 3.232 -0.529 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -8.182 4.731 -2.540 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -9.454 3.508 -2.457 1.00 0.00 H new ATOM 1360 N SER A 95 -5.424 4.365 5.509 1.00 0.00 N ATOM 1361 CA SER A 95 -4.660 3.266 6.085 1.00 0.00 C ATOM 1362 C SER A 95 -5.158 2.936 7.489 1.00 0.00 C ATOM 1363 O SER A 95 -5.703 3.782 8.198 1.00 0.00 O ATOM 1364 CB SER A 95 -3.172 3.618 6.129 1.00 0.00 C ATOM 1365 OG SER A 95 -2.534 2.999 7.233 1.00 0.00 O ATOM 0 H SER A 95 -5.356 5.242 6.026 1.00 0.00 H new ATOM 0 HA SER A 95 -4.799 2.389 5.453 1.00 0.00 H new ATOM 0 HB2 SER A 95 -2.692 3.301 5.203 1.00 0.00 H new ATOM 0 HB3 SER A 95 -3.053 4.699 6.195 1.00 0.00 H new ATOM 0 HG SER A 95 -1.795 3.564 7.543 1.00 0.00 H new ATOM 1371 N PRO A 96 -4.966 1.673 7.902 1.00 0.00 N ATOM 1372 CA PRO A 96 -4.319 0.658 7.068 1.00 0.00 C ATOM 1373 C PRO A 96 -5.184 0.241 5.884 1.00 0.00 C ATOM 1374 O PRO A 96 -6.319 0.698 5.741 1.00 0.00 O ATOM 1375 CB PRO A 96 -4.124 -0.520 8.028 1.00 0.00 C ATOM 1376 CG PRO A 96 -5.182 -0.342 9.062 1.00 0.00 C ATOM 1377 CD PRO A 96 -5.367 1.142 9.216 1.00 0.00 C ATOM 0 HA PRO A 96 -3.392 1.025 6.627 1.00 0.00 H new ATOM 0 HB2 PRO A 96 -4.231 -1.474 7.512 1.00 0.00 H new ATOM 0 HB3 PRO A 96 -3.129 -0.508 8.473 1.00 0.00 H new ATOM 0 HG2 PRO A 96 -6.112 -0.821 8.755 1.00 0.00 H new ATOM 0 HG3 PRO A 96 -4.885 -0.798 10.006 1.00 0.00 H new ATOM 0 HD2 PRO A 96 -6.400 1.396 9.454 1.00 0.00 H new ATOM 0 HD3 PRO A 96 -4.747 1.543 10.018 1.00 0.00 H new ATOM 1385 N PHE A 97 -4.642 -0.628 5.037 1.00 0.00 N ATOM 1386 CA PHE A 97 -5.366 -1.105 3.864 1.00 0.00 C ATOM 1387 C PHE A 97 -5.648 -2.601 3.970 1.00 0.00 C ATOM 1388 O PHE A 97 -4.728 -3.411 4.097 1.00 0.00 O ATOM 1389 CB PHE A 97 -4.567 -0.814 2.593 1.00 0.00 C ATOM 1390 CG PHE A 97 -4.510 0.645 2.241 1.00 0.00 C ATOM 1391 CD1 PHE A 97 -3.600 1.486 2.862 1.00 0.00 C ATOM 1392 CD2 PHE A 97 -5.366 1.177 1.289 1.00 0.00 C ATOM 1393 CE1 PHE A 97 -3.546 2.829 2.541 1.00 0.00 C ATOM 1394 CE2 PHE A 97 -5.317 2.519 0.964 1.00 0.00 C ATOM 1395 CZ PHE A 97 -4.404 3.346 1.590 1.00 0.00 C ATOM 0 H PHE A 97 -3.704 -1.016 5.141 1.00 0.00 H new ATOM 0 HA PHE A 97 -6.318 -0.576 3.815 1.00 0.00 H new ATOM 0 HB2 PHE A 97 -3.551 -1.189 2.718 1.00 0.00 H new ATOM 0 HB3 PHE A 97 -5.009 -1.363 1.762 1.00 0.00 H new ATOM 0 HD1 PHE A 97 -2.925 1.087 3.605 1.00 0.00 H new ATOM 0 HD2 PHE A 97 -6.080 0.534 0.795 1.00 0.00 H new ATOM 0 HE1 PHE A 97 -2.833 3.474 3.033 1.00 0.00 H new ATOM 0 HE2 PHE A 97 -5.991 2.921 0.222 1.00 0.00 H new ATOM 0 HZ PHE A 97 -4.361 4.395 1.336 1.00 0.00 H new ATOM 1405 N LYS A 98 -6.926 -2.962 3.918 1.00 0.00 N ATOM 1406 CA LYS A 98 -7.330 -4.359 4.008 1.00 0.00 C ATOM 1407 C LYS A 98 -7.176 -5.058 2.661 1.00 0.00 C ATOM 1408 O LYS A 98 -7.946 -4.816 1.732 1.00 0.00 O ATOM 1409 CB LYS A 98 -8.782 -4.462 4.483 1.00 0.00 C ATOM 1410 CG LYS A 98 -9.773 -3.766 3.565 1.00 0.00 C ATOM 1411 CD LYS A 98 -10.989 -3.272 4.330 1.00 0.00 C ATOM 1412 CE LYS A 98 -11.789 -2.266 3.515 1.00 0.00 C ATOM 1413 NZ LYS A 98 -12.688 -2.935 2.535 1.00 0.00 N ATOM 0 H LYS A 98 -7.700 -2.305 3.814 1.00 0.00 H new ATOM 0 HA LYS A 98 -6.681 -4.853 4.731 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -9.054 -5.514 4.567 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -8.860 -4.032 5.481 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -9.285 -2.925 3.072 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -10.090 -4.454 2.781 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -11.625 -4.118 4.591 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -10.670 -2.813 5.266 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -12.382 -1.645 4.186 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -11.106 -1.602 2.986 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -13.215 -2.216 2.000 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -12.121 -3.508 1.878 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -13.357 -3.549 3.041 1.00 0.00 H new ATOM 1427 N VAL A 99 -6.174 -5.926 2.562 1.00 0.00 N ATOM 1428 CA VAL A 99 -5.920 -6.663 1.329 1.00 0.00 C ATOM 1429 C VAL A 99 -6.034 -8.166 1.553 1.00 0.00 C ATOM 1430 O VAL A 99 -5.159 -8.783 2.161 1.00 0.00 O ATOM 1431 CB VAL A 99 -4.522 -6.343 0.763 1.00 0.00 C ATOM 1432 CG1 VAL A 99 -4.281 -7.112 -0.527 1.00 0.00 C ATOM 1433 CG2 VAL A 99 -4.368 -4.847 0.539 1.00 0.00 C ATOM 0 H VAL A 99 -5.525 -6.136 3.320 1.00 0.00 H new ATOM 0 HA VAL A 99 -6.676 -6.348 0.610 1.00 0.00 H new ATOM 0 HB VAL A 99 -3.773 -6.656 1.490 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -3.290 -6.874 -0.913 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -4.347 -8.182 -0.330 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -5.034 -6.832 -1.264 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -3.375 -4.639 0.139 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -5.123 -4.505 -0.169 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -4.495 -4.322 1.486 1.00 0.00 H new ATOM 1443 N LYS A 100 -7.119 -8.752 1.057 1.00 0.00 N ATOM 1444 CA LYS A 100 -7.349 -10.185 1.201 1.00 0.00 C ATOM 1445 C LYS A 100 -6.729 -10.955 0.039 1.00 0.00 C ATOM 1446 O LYS A 100 -7.311 -11.040 -1.044 1.00 0.00 O ATOM 1447 CB LYS A 100 -8.849 -10.476 1.277 1.00 0.00 C ATOM 1448 CG LYS A 100 -9.172 -11.917 1.635 1.00 0.00 C ATOM 1449 CD LYS A 100 -10.668 -12.133 1.781 1.00 0.00 C ATOM 1450 CE LYS A 100 -11.371 -12.099 0.433 1.00 0.00 C ATOM 1451 NZ LYS A 100 -11.730 -10.711 0.029 1.00 0.00 N ATOM 0 H LYS A 100 -7.853 -8.256 0.551 1.00 0.00 H new ATOM 0 HA LYS A 100 -6.874 -10.513 2.126 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -9.301 -9.816 2.017 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -9.306 -10.238 0.316 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -8.781 -12.581 0.864 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -8.673 -12.182 2.567 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -10.853 -13.092 2.264 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -11.086 -11.363 2.430 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -10.725 -12.542 -0.325 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -12.273 -12.709 0.479 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -12.755 -10.653 -0.140 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -11.466 -10.050 0.787 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -11.221 -10.460 -0.842 1.00 0.00 H new ATOM 1465 N VAL A 101 -5.546 -11.514 0.270 1.00 0.00 N ATOM 1466 CA VAL A 101 -4.848 -12.279 -0.757 1.00 0.00 C ATOM 1467 C VAL A 101 -5.614 -13.549 -1.112 1.00 0.00 C ATOM 1468 O VAL A 101 -6.324 -14.112 -0.278 1.00 0.00 O ATOM 1469 CB VAL A 101 -3.426 -12.659 -0.304 1.00 0.00 C ATOM 1470 CG1 VAL A 101 -2.693 -13.401 -1.413 1.00 0.00 C ATOM 1471 CG2 VAL A 101 -2.653 -11.420 0.121 1.00 0.00 C ATOM 0 H VAL A 101 -5.050 -11.452 1.159 1.00 0.00 H new ATOM 0 HA VAL A 101 -4.782 -11.640 -1.638 1.00 0.00 H new ATOM 0 HB VAL A 101 -3.503 -13.324 0.557 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -1.690 -13.662 -1.075 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -3.239 -14.310 -1.665 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -2.625 -12.763 -2.294 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -1.651 -11.708 0.438 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -2.584 -10.729 -0.719 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -3.170 -10.935 0.949 1.00 0.00 H new ATOM 1481 N LEU A 102 -5.464 -13.996 -2.353 1.00 0.00 N ATOM 1482 CA LEU A 102 -6.141 -15.201 -2.820 1.00 0.00 C ATOM 1483 C LEU A 102 -5.132 -16.261 -3.250 1.00 0.00 C ATOM 1484 O LEU A 102 -4.000 -15.959 -3.627 1.00 0.00 O ATOM 1485 CB LEU A 102 -7.075 -14.867 -3.984 1.00 0.00 C ATOM 1486 CG LEU A 102 -8.329 -14.067 -3.630 1.00 0.00 C ATOM 1487 CD1 LEU A 102 -9.004 -13.549 -4.891 1.00 0.00 C ATOM 1488 CD2 LEU A 102 -9.293 -14.919 -2.818 1.00 0.00 C ATOM 0 H LEU A 102 -4.879 -13.542 -3.055 1.00 0.00 H new ATOM 0 HA LEU A 102 -6.729 -15.600 -1.994 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -6.509 -14.307 -4.728 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -7.384 -15.800 -4.455 1.00 0.00 H new ATOM 0 HG LEU A 102 -8.033 -13.211 -3.023 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -9.895 -12.982 -4.620 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -8.314 -12.903 -5.434 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -9.288 -14.390 -5.524 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -10.180 -14.334 -2.575 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -9.584 -15.794 -3.400 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -8.807 -15.241 -1.897 1.00 0.00 H new ATOM 1500 N PRO A 103 -5.550 -17.534 -3.194 1.00 0.00 N ATOM 1501 CA PRO A 103 -4.699 -18.665 -3.576 1.00 0.00 C ATOM 1502 C PRO A 103 -4.440 -18.713 -5.079 1.00 0.00 C ATOM 1503 O PRO A 103 -5.370 -18.838 -5.876 1.00 0.00 O ATOM 1504 CB PRO A 103 -5.510 -19.885 -3.135 1.00 0.00 C ATOM 1505 CG PRO A 103 -6.926 -19.421 -3.139 1.00 0.00 C ATOM 1506 CD PRO A 103 -6.887 -17.968 -2.753 1.00 0.00 C ATOM 0 HA PRO A 103 -3.712 -18.605 -3.118 1.00 0.00 H new ATOM 0 HB2 PRO A 103 -5.366 -20.723 -3.817 1.00 0.00 H new ATOM 0 HB3 PRO A 103 -5.207 -20.224 -2.144 1.00 0.00 H new ATOM 0 HG2 PRO A 103 -7.377 -19.551 -4.123 1.00 0.00 H new ATOM 0 HG3 PRO A 103 -7.527 -19.996 -2.434 1.00 0.00 H new ATOM 0 HD2 PRO A 103 -7.677 -17.400 -3.245 1.00 0.00 H new ATOM 0 HD3 PRO A 103 -7.019 -17.834 -1.679 1.00 0.00 H new ATOM 1514 N THR A 104 -3.170 -18.613 -5.459 1.00 0.00 N ATOM 1515 CA THR A 104 -2.789 -18.645 -6.865 1.00 0.00 C ATOM 1516 C THR A 104 -3.617 -19.666 -7.637 1.00 0.00 C ATOM 1517 O THR A 104 -3.832 -19.524 -8.840 1.00 0.00 O ATOM 1518 CB THR A 104 -1.295 -18.978 -7.035 1.00 0.00 C ATOM 1519 OG1 THR A 104 -0.494 -17.976 -6.398 1.00 0.00 O ATOM 1520 CG2 THR A 104 -0.925 -19.072 -8.507 1.00 0.00 C ATOM 0 H THR A 104 -2.388 -18.509 -4.812 1.00 0.00 H new ATOM 0 HA THR A 104 -2.980 -17.650 -7.266 1.00 0.00 H new ATOM 0 HB THR A 104 -1.105 -19.944 -6.568 1.00 0.00 H new ATOM 0 HG1 THR A 104 -1.074 -17.355 -5.910 1.00 0.00 H new ATOM 0 HG21 THR A 104 0.135 -19.308 -8.601 1.00 0.00 H new ATOM 0 HG22 THR A 104 -1.515 -19.856 -8.981 1.00 0.00 H new ATOM 0 HG23 THR A 104 -1.129 -18.119 -8.995 1.00 0.00 H new ATOM 1528 N TYR A 105 -4.080 -20.696 -6.936 1.00 0.00 N ATOM 1529 CA TYR A 105 -4.883 -21.742 -7.556 1.00 0.00 C ATOM 1530 C TYR A 105 -6.345 -21.316 -7.664 1.00 0.00 C ATOM 1531 O TYR A 105 -7.254 -22.122 -7.470 1.00 0.00 O ATOM 1532 CB TYR A 105 -4.777 -23.040 -6.753 1.00 0.00 C ATOM 1533 CG TYR A 105 -3.465 -23.766 -6.946 1.00 0.00 C ATOM 1534 CD1 TYR A 105 -2.253 -23.115 -6.749 1.00 0.00 C ATOM 1535 CD2 TYR A 105 -3.437 -25.101 -7.324 1.00 0.00 C ATOM 1536 CE1 TYR A 105 -1.052 -23.774 -6.925 1.00 0.00 C ATOM 1537 CE2 TYR A 105 -2.240 -25.769 -7.502 1.00 0.00 C ATOM 1538 CZ TYR A 105 -1.051 -25.101 -7.301 1.00 0.00 C ATOM 1539 OH TYR A 105 0.143 -25.762 -7.477 1.00 0.00 O ATOM 0 H TYR A 105 -3.913 -20.828 -5.939 1.00 0.00 H new ATOM 0 HA TYR A 105 -4.497 -21.912 -8.561 1.00 0.00 H new ATOM 0 HB2 TYR A 105 -4.905 -22.814 -5.694 1.00 0.00 H new ATOM 0 HB3 TYR A 105 -5.594 -23.702 -7.039 1.00 0.00 H new ATOM 0 HD1 TYR A 105 -2.250 -22.076 -6.453 1.00 0.00 H new ATOM 0 HD2 TYR A 105 -4.367 -25.627 -7.482 1.00 0.00 H new ATOM 0 HE1 TYR A 105 -0.119 -23.253 -6.769 1.00 0.00 H new ATOM 0 HE2 TYR A 105 -2.236 -26.808 -7.797 1.00 0.00 H new ATOM 0 HH TYR A 105 -0.032 -26.690 -7.740 1.00 0.00 H new