USER MOD reduce.3.24.130724 H: found=0, std=0, add=847, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 848 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 11 THR OG1 : rot 68:sc= 0.808 USER MOD Set 1.2: A 34 THR OG1 : rot -95:sc= 0.212 USER MOD Set 1.3: A 78 SER OG : rot -150:sc= 0.562 USER MOD Set 2.1: A 70 ASN : amide:sc= 0.98 K(o=1.9,f=-3.9!) USER MOD Set 2.2: A 72 THR OG1 : rot -74:sc= 0.969 USER MOD Set 3.1: A 38 SER OG : rot -61:sc= 0.751 USER MOD Set 3.2: A 40 ASN :FLIP amide:sc= 0.676 F(o=0.58,f=1.4) USER MOD Single : A 13 GLN : amide:sc= 0.275 K(o=0.28,f=-5.1!) USER MOD Single : A 14 THR OG1 : rot 180:sc= -0.749 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 GLN : amide:sc= 0.0798 X(o=0.08,f=0) USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot -76:sc= 0.41 USER MOD Single : A 28 THR OG1 : rot 4:sc= 0.64 USER MOD Single : A 33 HIS : no HE2:sc= -0.0277 K(o=-0.028,f=-1.5) USER MOD Single : A 41 MET CE :methyl 171:sc= -0.0539 (180deg=-0.271) USER MOD Single : A 43 SER OG : rot 180:sc= 0.0361 USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ -114:sc= 1.1 (180deg=-0.459) USER MOD Single : A 49 SER OG : rot 74:sc= 1.24 USER MOD Single : A 50 SER OG : rot -79:sc= 1.59 USER MOD Single : A 58 THR OG1 : rot -140:sc= 0.171 USER MOD Single : A 65 TYR OH : rot 130:sc= 0.503 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 THR OG1 : rot -150:sc= 0.0664 USER MOD Single : A 88 ASN :FLIP amide:sc= -0.101 F(o=-2!,f=-0.1) USER MOD Single : A 92 GLN : amide:sc= -0.394 K(o=-0.39,f=-1.5!) USER MOD Single : A 100 THR OG1 : rot -33:sc= 0.344 USER MOD Single : A 106 CYS SG : rot -120:sc= -3.21 USER MOD ----------------------------------------------------------------- ATOM 84 N LEU A 6 11.071 -15.505 5.661 1.00 0.00 N ATOM 85 CA LEU A 6 11.366 -14.215 5.019 1.00 0.00 C ATOM 86 C LEU A 6 12.376 -14.403 3.856 1.00 0.00 C ATOM 87 O LEU A 6 13.585 -14.184 4.001 1.00 0.00 O ATOM 88 CB LEU A 6 11.881 -13.204 6.080 1.00 0.00 C ATOM 89 CG LEU A 6 10.991 -13.026 7.361 1.00 0.00 C ATOM 90 CD1 LEU A 6 11.632 -12.031 8.356 1.00 0.00 C ATOM 91 CD2 LEU A 6 9.547 -12.607 6.995 1.00 0.00 C ATOM 0 HA LEU A 6 10.452 -13.809 4.586 1.00 0.00 H new ATOM 0 HB2 LEU A 6 12.876 -13.517 6.396 1.00 0.00 H new ATOM 0 HB3 LEU A 6 11.990 -12.231 5.601 1.00 0.00 H new ATOM 0 HG LEU A 6 10.933 -13.995 7.856 1.00 0.00 H new ATOM 0 HD11 LEU A 6 10.992 -11.929 9.232 1.00 0.00 H new ATOM 0 HD12 LEU A 6 12.610 -12.402 8.662 1.00 0.00 H new ATOM 0 HD13 LEU A 6 11.747 -11.059 7.876 1.00 0.00 H new ATOM 0 HD21 LEU A 6 8.959 -12.493 7.906 1.00 0.00 H new ATOM 0 HD22 LEU A 6 9.569 -11.660 6.456 1.00 0.00 H new ATOM 0 HD23 LEU A 6 9.095 -13.373 6.365 1.00 0.00 H new ATOM 103 N ARG A 7 11.836 -14.849 2.716 1.00 0.00 N ATOM 104 CA ARG A 7 12.601 -15.236 1.512 1.00 0.00 C ATOM 105 C ARG A 7 12.774 -14.033 0.559 1.00 0.00 C ATOM 106 O ARG A 7 13.725 -13.973 -0.217 1.00 0.00 O ATOM 107 CB ARG A 7 11.856 -16.391 0.777 1.00 0.00 C ATOM 108 CG ARG A 7 10.425 -16.013 0.337 1.00 0.00 C ATOM 109 CD ARG A 7 9.757 -17.044 -0.581 1.00 0.00 C ATOM 110 NE ARG A 7 8.541 -16.487 -1.214 1.00 0.00 N ATOM 111 CZ ARG A 7 7.846 -17.056 -2.207 1.00 0.00 C ATOM 112 NH1 ARG A 7 8.220 -18.223 -2.722 1.00 0.00 N ATOM 113 NH2 ARG A 7 6.789 -16.427 -2.704 1.00 0.00 N ATOM 0 H ARG A 7 10.829 -14.956 2.596 1.00 0.00 H new ATOM 0 HA ARG A 7 13.591 -15.572 1.819 1.00 0.00 H new ATOM 0 HB2 ARG A 7 12.432 -16.685 -0.100 1.00 0.00 H new ATOM 0 HB3 ARG A 7 11.809 -17.260 1.434 1.00 0.00 H new ATOM 0 HG2 ARG A 7 9.807 -15.879 1.225 1.00 0.00 H new ATOM 0 HG3 ARG A 7 10.457 -15.052 -0.177 1.00 0.00 H new ATOM 0 HD2 ARG A 7 10.460 -17.358 -1.352 1.00 0.00 H new ATOM 0 HD3 ARG A 7 9.497 -17.933 -0.006 1.00 0.00 H new ATOM 0 HE ARG A 7 8.203 -15.591 -0.863 1.00 0.00 H new ATOM 0 HH11 ARG A 7 9.047 -18.698 -2.361 1.00 0.00 H new ATOM 0 HH12 ARG A 7 7.680 -18.643 -3.478 1.00 0.00 H new ATOM 0 HH21 ARG A 7 6.513 -15.519 -2.330 1.00 0.00 H new ATOM 0 HH22 ARG A 7 6.252 -16.851 -3.461 1.00 0.00 H new ATOM 127 N ASP A 8 11.822 -13.093 0.633 1.00 0.00 N ATOM 128 CA ASP A 8 11.712 -11.916 -0.240 1.00 0.00 C ATOM 129 C ASP A 8 12.129 -10.657 0.533 1.00 0.00 C ATOM 130 O ASP A 8 12.601 -10.750 1.670 1.00 0.00 O ATOM 131 CB ASP A 8 10.232 -11.777 -0.734 1.00 0.00 C ATOM 132 CG ASP A 8 9.730 -12.991 -1.531 1.00 0.00 C ATOM 133 OD1 ASP A 8 10.455 -13.460 -2.423 1.00 0.00 O ATOM 134 OD2 ASP A 8 8.626 -13.508 -1.247 1.00 0.00 O ATOM 0 H ASP A 8 11.078 -13.133 1.330 1.00 0.00 H new ATOM 0 HA ASP A 8 12.370 -12.035 -1.101 1.00 0.00 H new ATOM 0 HB2 ASP A 8 9.583 -11.626 0.129 1.00 0.00 H new ATOM 0 HB3 ASP A 8 10.148 -10.886 -1.356 1.00 0.00 H new ATOM 139 N ARG A 9 11.933 -9.485 -0.092 1.00 0.00 N ATOM 140 CA ARG A 9 12.213 -8.172 0.517 1.00 0.00 C ATOM 141 C ARG A 9 11.348 -7.111 -0.177 1.00 0.00 C ATOM 142 O ARG A 9 11.199 -7.143 -1.401 1.00 0.00 O ATOM 143 CB ARG A 9 13.718 -7.829 0.383 1.00 0.00 C ATOM 144 CG ARG A 9 14.186 -6.563 1.125 1.00 0.00 C ATOM 145 CD ARG A 9 15.687 -6.282 0.933 1.00 0.00 C ATOM 146 NE ARG A 9 16.040 -6.108 -0.495 1.00 0.00 N ATOM 147 CZ ARG A 9 16.876 -5.191 -0.988 1.00 0.00 C ATOM 148 NH1 ARG A 9 17.466 -4.305 -0.198 1.00 0.00 N ATOM 149 NH2 ARG A 9 17.114 -5.165 -2.277 1.00 0.00 N ATOM 0 H ARG A 9 11.572 -9.420 -1.044 1.00 0.00 H new ATOM 0 HA ARG A 9 11.970 -8.197 1.579 1.00 0.00 H new ATOM 0 HB2 ARG A 9 14.298 -8.676 0.748 1.00 0.00 H new ATOM 0 HB3 ARG A 9 13.952 -7.714 -0.675 1.00 0.00 H new ATOM 0 HG2 ARG A 9 13.612 -5.707 0.771 1.00 0.00 H new ATOM 0 HG3 ARG A 9 13.974 -6.671 2.189 1.00 0.00 H new ATOM 0 HD2 ARG A 9 15.962 -5.384 1.486 1.00 0.00 H new ATOM 0 HD3 ARG A 9 16.267 -7.105 1.352 1.00 0.00 H new ATOM 0 HE ARG A 9 15.605 -6.746 -1.162 1.00 0.00 H new ATOM 0 HH11 ARG A 9 17.284 -4.316 0.806 1.00 0.00 H new ATOM 0 HH12 ARG A 9 18.102 -3.612 -0.594 1.00 0.00 H new ATOM 0 HH21 ARG A 9 16.662 -5.841 -2.893 1.00 0.00 H new ATOM 0 HH22 ARG A 9 17.751 -4.469 -2.664 1.00 0.00 H new ATOM 163 N ILE A 10 10.778 -6.169 0.608 1.00 0.00 N ATOM 164 CA ILE A 10 9.802 -5.170 0.107 1.00 0.00 C ATOM 165 C ILE A 10 10.140 -3.760 0.619 1.00 0.00 C ATOM 166 O ILE A 10 10.618 -3.602 1.740 1.00 0.00 O ATOM 167 CB ILE A 10 8.302 -5.518 0.507 1.00 0.00 C ATOM 168 CG1 ILE A 10 7.971 -5.238 2.029 1.00 0.00 C ATOM 169 CG2 ILE A 10 7.923 -6.968 0.121 1.00 0.00 C ATOM 170 CD1 ILE A 10 8.809 -5.949 3.066 1.00 0.00 C ATOM 0 H ILE A 10 10.980 -6.078 1.604 1.00 0.00 H new ATOM 0 HA ILE A 10 9.879 -5.199 -0.980 1.00 0.00 H new ATOM 0 HB ILE A 10 7.684 -4.834 -0.075 1.00 0.00 H new ATOM 0 HG12 ILE A 10 8.061 -4.165 2.201 1.00 0.00 H new ATOM 0 HG13 ILE A 10 6.927 -5.502 2.201 1.00 0.00 H new ATOM 0 HG21 ILE A 10 6.891 -7.164 0.412 1.00 0.00 H new ATOM 0 HG22 ILE A 10 8.027 -7.097 -0.956 1.00 0.00 H new ATOM 0 HG23 ILE A 10 8.584 -7.666 0.635 1.00 0.00 H new ATOM 0 HD11 ILE A 10 8.473 -5.664 4.063 1.00 0.00 H new ATOM 0 HD12 ILE A 10 8.704 -7.027 2.942 1.00 0.00 H new ATOM 0 HD13 ILE A 10 9.855 -5.669 2.942 1.00 0.00 H new ATOM 182 N THR A 11 9.887 -2.754 -0.224 1.00 0.00 N ATOM 183 CA THR A 11 9.968 -1.335 0.129 1.00 0.00 C ATOM 184 C THR A 11 8.593 -0.834 0.603 1.00 0.00 C ATOM 185 O THR A 11 7.605 -0.923 -0.142 1.00 0.00 O ATOM 186 CB THR A 11 10.435 -0.494 -1.096 1.00 0.00 C ATOM 187 OG1 THR A 11 11.616 -1.086 -1.636 1.00 0.00 O ATOM 188 CG2 THR A 11 10.720 0.971 -0.713 1.00 0.00 C ATOM 0 H THR A 11 9.614 -2.909 -1.194 1.00 0.00 H new ATOM 0 HA THR A 11 10.694 -1.219 0.934 1.00 0.00 H new ATOM 0 HB THR A 11 9.633 -0.490 -1.835 1.00 0.00 H new ATOM 0 HG1 THR A 11 11.395 -1.956 -2.029 1.00 0.00 H new ATOM 0 HG21 THR A 11 11.043 1.522 -1.596 1.00 0.00 H new ATOM 0 HG22 THR A 11 9.814 1.426 -0.313 1.00 0.00 H new ATOM 0 HG23 THR A 11 11.505 1.003 0.042 1.00 0.00 H new ATOM 196 N ILE A 12 8.545 -0.334 1.842 1.00 0.00 N ATOM 197 CA ILE A 12 7.337 0.264 2.431 1.00 0.00 C ATOM 198 C ILE A 12 7.210 1.718 1.942 1.00 0.00 C ATOM 199 O ILE A 12 7.862 2.617 2.485 1.00 0.00 O ATOM 200 CB ILE A 12 7.380 0.216 4.011 1.00 0.00 C ATOM 201 CG1 ILE A 12 7.780 -1.211 4.515 1.00 0.00 C ATOM 202 CG2 ILE A 12 6.028 0.679 4.627 1.00 0.00 C ATOM 203 CD1 ILE A 12 6.854 -2.344 4.103 1.00 0.00 C ATOM 0 H ILE A 12 9.348 -0.332 2.471 1.00 0.00 H new ATOM 0 HA ILE A 12 6.468 -0.312 2.112 1.00 0.00 H new ATOM 0 HB ILE A 12 8.146 0.914 4.348 1.00 0.00 H new ATOM 0 HG12 ILE A 12 8.782 -1.436 4.151 1.00 0.00 H new ATOM 0 HG13 ILE A 12 7.834 -1.189 5.603 1.00 0.00 H new ATOM 0 HG21 ILE A 12 6.089 0.635 5.714 1.00 0.00 H new ATOM 0 HG22 ILE A 12 5.818 1.703 4.317 1.00 0.00 H new ATOM 0 HG23 ILE A 12 5.228 0.024 4.282 1.00 0.00 H new ATOM 0 HD11 ILE A 12 7.228 -3.285 4.507 1.00 0.00 H new ATOM 0 HD12 ILE A 12 5.853 -2.155 4.491 1.00 0.00 H new ATOM 0 HD13 ILE A 12 6.816 -2.406 3.015 1.00 0.00 H new ATOM 215 N GLN A 13 6.422 1.932 0.873 1.00 0.00 N ATOM 216 CA GLN A 13 6.158 3.273 0.338 1.00 0.00 C ATOM 217 C GLN A 13 5.202 4.029 1.270 1.00 0.00 C ATOM 218 O GLN A 13 3.995 3.827 1.235 1.00 0.00 O ATOM 219 CB GLN A 13 5.595 3.211 -1.099 1.00 0.00 C ATOM 220 CG GLN A 13 6.605 2.726 -2.150 1.00 0.00 C ATOM 221 CD GLN A 13 6.018 2.675 -3.554 1.00 0.00 C ATOM 222 OE1 GLN A 13 5.103 3.421 -3.892 1.00 0.00 O ATOM 223 NE2 GLN A 13 6.558 1.812 -4.386 1.00 0.00 N ATOM 0 H GLN A 13 5.955 1.184 0.361 1.00 0.00 H new ATOM 0 HA GLN A 13 7.104 3.813 0.289 1.00 0.00 H new ATOM 0 HB2 GLN A 13 4.730 2.548 -1.110 1.00 0.00 H new ATOM 0 HB3 GLN A 13 5.241 4.202 -1.382 1.00 0.00 H new ATOM 0 HG2 GLN A 13 7.471 3.388 -2.147 1.00 0.00 H new ATOM 0 HG3 GLN A 13 6.961 1.734 -1.874 1.00 0.00 H new ATOM 0 HE21 GLN A 13 7.317 1.207 -4.072 1.00 0.00 H new ATOM 0 HE22 GLN A 13 6.218 1.747 -5.346 1.00 0.00 H new ATOM 232 N THR A 14 5.789 4.881 2.097 1.00 0.00 N ATOM 233 CA THR A 14 5.063 5.715 3.052 1.00 0.00 C ATOM 234 C THR A 14 4.477 6.937 2.328 1.00 0.00 C ATOM 235 O THR A 14 5.080 7.443 1.377 1.00 0.00 O ATOM 236 CB THR A 14 6.016 6.149 4.202 1.00 0.00 C ATOM 237 OG1 THR A 14 7.239 6.665 3.653 1.00 0.00 O ATOM 238 CG2 THR A 14 6.338 4.976 5.145 1.00 0.00 C ATOM 0 H THR A 14 6.799 5.017 2.126 1.00 0.00 H new ATOM 0 HA THR A 14 4.241 5.147 3.487 1.00 0.00 H new ATOM 0 HB THR A 14 5.508 6.922 4.779 1.00 0.00 H new ATOM 0 HG1 THR A 14 7.835 6.938 4.381 1.00 0.00 H new ATOM 0 HG21 THR A 14 7.006 5.318 5.936 1.00 0.00 H new ATOM 0 HG22 THR A 14 5.415 4.601 5.587 1.00 0.00 H new ATOM 0 HG23 THR A 14 6.821 4.178 4.581 1.00 0.00 H new ATOM 246 N LEU A 15 3.303 7.410 2.767 1.00 0.00 N ATOM 247 CA LEU A 15 2.562 8.466 2.069 1.00 0.00 C ATOM 248 C LEU A 15 2.931 9.841 2.638 1.00 0.00 C ATOM 249 O LEU A 15 2.545 10.174 3.765 1.00 0.00 O ATOM 250 CB LEU A 15 1.038 8.220 2.203 1.00 0.00 C ATOM 251 CG LEU A 15 0.126 9.250 1.480 1.00 0.00 C ATOM 252 CD1 LEU A 15 0.427 9.275 -0.029 1.00 0.00 C ATOM 253 CD2 LEU A 15 -1.371 8.971 1.759 1.00 0.00 C ATOM 0 H LEU A 15 2.843 7.072 3.612 1.00 0.00 H new ATOM 0 HA LEU A 15 2.831 8.445 1.013 1.00 0.00 H new ATOM 0 HB2 LEU A 15 0.813 7.227 1.815 1.00 0.00 H new ATOM 0 HB3 LEU A 15 0.781 8.214 3.262 1.00 0.00 H new ATOM 0 HG LEU A 15 0.347 10.239 1.881 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -0.222 10.002 -0.517 1.00 0.00 H new ATOM 0 HD12 LEU A 15 1.469 9.554 -0.188 1.00 0.00 H new ATOM 0 HD13 LEU A 15 0.247 8.287 -0.452 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -1.982 9.709 1.239 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -1.627 7.973 1.404 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -1.559 9.034 2.831 1.00 0.00 H new ATOM 265 N LYS A 16 3.704 10.618 1.877 1.00 0.00 N ATOM 266 CA LYS A 16 4.024 12.004 2.212 1.00 0.00 C ATOM 267 C LYS A 16 3.032 12.936 1.498 1.00 0.00 C ATOM 268 O LYS A 16 3.118 13.148 0.280 1.00 0.00 O ATOM 269 CB LYS A 16 5.484 12.343 1.815 1.00 0.00 C ATOM 270 CG LYS A 16 5.950 13.735 2.296 1.00 0.00 C ATOM 271 CD LYS A 16 7.411 14.050 1.915 1.00 0.00 C ATOM 272 CE LYS A 16 7.912 15.370 2.527 1.00 0.00 C ATOM 273 NZ LYS A 16 9.333 15.622 2.193 1.00 0.00 N ATOM 0 H LYS A 16 4.128 10.300 1.005 1.00 0.00 H new ATOM 0 HA LYS A 16 3.936 12.144 3.289 1.00 0.00 H new ATOM 0 HB2 LYS A 16 6.149 11.584 2.227 1.00 0.00 H new ATOM 0 HB3 LYS A 16 5.577 12.293 0.730 1.00 0.00 H new ATOM 0 HG2 LYS A 16 5.297 14.497 1.870 1.00 0.00 H new ATOM 0 HG3 LYS A 16 5.843 13.793 3.379 1.00 0.00 H new ATOM 0 HD2 LYS A 16 8.053 13.234 2.246 1.00 0.00 H new ATOM 0 HD3 LYS A 16 7.496 14.102 0.830 1.00 0.00 H new ATOM 0 HE2 LYS A 16 7.300 16.196 2.163 1.00 0.00 H new ATOM 0 HE3 LYS A 16 7.792 15.338 3.610 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 9.636 16.520 2.622 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 9.919 14.846 2.562 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 9.442 15.677 1.160 1.00 0.00 H new ATOM 287 N GLN A 17 2.049 13.427 2.253 1.00 0.00 N ATOM 288 CA GLN A 17 1.088 14.426 1.782 1.00 0.00 C ATOM 289 C GLN A 17 1.759 15.815 1.785 1.00 0.00 C ATOM 290 O GLN A 17 1.814 16.491 2.819 1.00 0.00 O ATOM 291 CB GLN A 17 -0.184 14.399 2.667 1.00 0.00 C ATOM 292 CG GLN A 17 -0.953 13.068 2.627 1.00 0.00 C ATOM 293 CD GLN A 17 -2.275 13.123 3.390 1.00 0.00 C ATOM 294 OE1 GLN A 17 -2.332 12.812 4.580 1.00 0.00 O ATOM 295 NE2 GLN A 17 -3.337 13.550 2.718 1.00 0.00 N ATOM 0 H GLN A 17 1.895 13.139 3.220 1.00 0.00 H new ATOM 0 HA GLN A 17 0.779 14.197 0.762 1.00 0.00 H new ATOM 0 HB2 GLN A 17 0.100 14.611 3.698 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -0.851 15.200 2.349 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -1.149 12.798 1.589 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -0.328 12.280 3.048 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -3.251 13.799 1.733 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -4.239 13.630 3.187 1.00 0.00 H new ATOM 304 N THR A 18 2.312 16.195 0.626 1.00 0.00 N ATOM 305 CA THR A 18 3.079 17.428 0.442 1.00 0.00 C ATOM 306 C THR A 18 2.159 18.566 -0.041 1.00 0.00 C ATOM 307 O THR A 18 1.498 18.432 -1.070 1.00 0.00 O ATOM 308 CB THR A 18 4.234 17.194 -0.593 1.00 0.00 C ATOM 309 OG1 THR A 18 5.048 16.086 -0.173 1.00 0.00 O ATOM 310 CG2 THR A 18 5.124 18.433 -0.770 1.00 0.00 C ATOM 0 H THR A 18 2.235 15.640 -0.226 1.00 0.00 H new ATOM 0 HA THR A 18 3.514 17.714 1.400 1.00 0.00 H new ATOM 0 HB THR A 18 3.764 16.981 -1.553 1.00 0.00 H new ATOM 0 HG1 THR A 18 5.767 15.943 -0.824 1.00 0.00 H new ATOM 0 HG21 THR A 18 5.907 18.218 -1.497 1.00 0.00 H new ATOM 0 HG22 THR A 18 4.519 19.268 -1.125 1.00 0.00 H new ATOM 0 HG23 THR A 18 5.578 18.694 0.186 1.00 0.00 H new ATOM 318 N ARG A 19 2.134 19.677 0.706 1.00 0.00 N ATOM 319 CA ARG A 19 1.308 20.848 0.374 1.00 0.00 C ATOM 320 C ARG A 19 1.917 21.638 -0.817 1.00 0.00 C ATOM 321 O ARG A 19 3.091 21.464 -1.144 1.00 0.00 O ATOM 322 CB ARG A 19 1.170 21.751 1.629 1.00 0.00 C ATOM 323 CG ARG A 19 0.122 22.886 1.516 1.00 0.00 C ATOM 324 CD ARG A 19 0.037 23.756 2.782 1.00 0.00 C ATOM 325 NE ARG A 19 1.311 24.462 3.062 1.00 0.00 N ATOM 326 CZ ARG A 19 1.968 24.464 4.234 1.00 0.00 C ATOM 327 NH1 ARG A 19 1.543 23.732 5.251 1.00 0.00 N ATOM 328 NH2 ARG A 19 3.075 25.182 4.372 1.00 0.00 N ATOM 0 H ARG A 19 2.685 19.791 1.557 1.00 0.00 H new ATOM 0 HA ARG A 19 0.318 20.511 0.068 1.00 0.00 H new ATOM 0 HB2 ARG A 19 0.911 21.123 2.481 1.00 0.00 H new ATOM 0 HB3 ARG A 19 2.141 22.196 1.845 1.00 0.00 H new ATOM 0 HG2 ARG A 19 0.370 23.518 0.664 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -0.857 22.450 1.315 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -0.764 24.487 2.666 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -0.224 23.129 3.635 1.00 0.00 H new ATOM 0 HE ARG A 19 1.725 24.994 2.296 1.00 0.00 H new ATOM 0 HH11 ARG A 19 0.707 23.157 5.151 1.00 0.00 H new ATOM 0 HH12 ARG A 19 2.052 23.743 6.135 1.00 0.00 H new ATOM 0 HH21 ARG A 19 3.427 25.732 3.589 1.00 0.00 H new ATOM 0 HH22 ARG A 19 3.574 25.184 5.262 1.00 0.00 H new ATOM 342 N ASP A 20 1.106 22.504 -1.440 1.00 0.00 N ATOM 343 CA ASP A 20 1.513 23.368 -2.567 1.00 0.00 C ATOM 344 C ASP A 20 1.548 24.834 -2.074 1.00 0.00 C ATOM 345 O ASP A 20 1.013 25.132 -0.998 1.00 0.00 O ATOM 346 CB ASP A 20 0.495 23.185 -3.730 1.00 0.00 C ATOM 347 CG ASP A 20 0.873 23.944 -5.013 1.00 0.00 C ATOM 348 OD1 ASP A 20 1.621 23.392 -5.852 1.00 0.00 O ATOM 349 OD2 ASP A 20 0.438 25.098 -5.180 1.00 0.00 O ATOM 0 H ASP A 20 0.130 22.629 -1.173 1.00 0.00 H new ATOM 0 HA ASP A 20 2.504 23.100 -2.932 1.00 0.00 H new ATOM 0 HB2 ASP A 20 0.408 22.123 -3.960 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -0.487 23.521 -3.397 1.00 0.00 H new ATOM 354 N ILE A 21 2.186 25.740 -2.846 1.00 0.00 N ATOM 355 CA ILE A 21 2.219 27.200 -2.558 1.00 0.00 C ATOM 356 C ILE A 21 0.811 27.863 -2.500 1.00 0.00 C ATOM 357 O ILE A 21 0.660 28.956 -1.933 1.00 0.00 O ATOM 358 CB ILE A 21 3.126 27.945 -3.617 1.00 0.00 C ATOM 359 CG1 ILE A 21 3.428 29.427 -3.188 1.00 0.00 C ATOM 360 CG2 ILE A 21 2.496 27.890 -5.030 1.00 0.00 C ATOM 361 CD1 ILE A 21 4.308 30.217 -4.151 1.00 0.00 C ATOM 0 H ILE A 21 2.696 25.483 -3.691 1.00 0.00 H new ATOM 0 HA ILE A 21 2.645 27.301 -1.560 1.00 0.00 H new ATOM 0 HB ILE A 21 4.079 27.418 -3.653 1.00 0.00 H new ATOM 0 HG12 ILE A 21 2.481 29.954 -3.071 1.00 0.00 H new ATOM 0 HG13 ILE A 21 3.909 29.414 -2.210 1.00 0.00 H new ATOM 0 HG21 ILE A 21 3.142 28.411 -5.737 1.00 0.00 H new ATOM 0 HG22 ILE A 21 2.384 26.851 -5.338 1.00 0.00 H new ATOM 0 HG23 ILE A 21 1.518 28.370 -5.011 1.00 0.00 H new ATOM 0 HD11 ILE A 21 4.456 31.225 -3.764 1.00 0.00 H new ATOM 0 HD12 ILE A 21 5.274 29.721 -4.252 1.00 0.00 H new ATOM 0 HD13 ILE A 21 3.824 30.270 -5.126 1.00 0.00 H new ATOM 373 N THR A 22 -0.231 27.187 -3.016 1.00 0.00 N ATOM 374 CA THR A 22 -1.605 27.723 -3.021 1.00 0.00 C ATOM 375 C THR A 22 -2.366 27.165 -1.788 1.00 0.00 C ATOM 376 O THR A 22 -3.502 27.551 -1.508 1.00 0.00 O ATOM 377 CB THR A 22 -2.340 27.313 -4.333 1.00 0.00 C ATOM 378 OG1 THR A 22 -2.361 25.881 -4.444 1.00 0.00 O ATOM 379 CG2 THR A 22 -1.672 27.909 -5.588 1.00 0.00 C ATOM 0 H THR A 22 -0.147 26.262 -3.438 1.00 0.00 H new ATOM 0 HA THR A 22 -1.572 28.811 -2.972 1.00 0.00 H new ATOM 0 HB THR A 22 -3.354 27.709 -4.276 1.00 0.00 H new ATOM 0 HG1 THR A 22 -1.476 25.561 -4.717 1.00 0.00 H new ATOM 0 HG21 THR A 22 -2.220 27.595 -6.476 1.00 0.00 H new ATOM 0 HG22 THR A 22 -1.680 28.997 -5.523 1.00 0.00 H new ATOM 0 HG23 THR A 22 -0.642 27.557 -5.654 1.00 0.00 H new ATOM 387 N GLY A 23 -1.700 26.236 -1.080 1.00 0.00 N ATOM 388 CA GLY A 23 -2.228 25.610 0.121 1.00 0.00 C ATOM 389 C GLY A 23 -3.130 24.439 -0.198 1.00 0.00 C ATOM 390 O GLY A 23 -4.216 24.307 0.375 1.00 0.00 O ATOM 0 H GLY A 23 -0.771 25.903 -1.337 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -1.402 25.271 0.746 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -2.783 26.348 0.700 1.00 0.00 H new ATOM 394 N GLU A 24 -2.680 23.583 -1.134 1.00 0.00 N ATOM 395 CA GLU A 24 -3.392 22.356 -1.546 1.00 0.00 C ATOM 396 C GLU A 24 -2.531 21.135 -1.178 1.00 0.00 C ATOM 397 O GLU A 24 -1.322 21.156 -1.376 1.00 0.00 O ATOM 398 CB GLU A 24 -3.699 22.378 -3.076 1.00 0.00 C ATOM 399 CG GLU A 24 -4.608 23.542 -3.513 1.00 0.00 C ATOM 400 CD GLU A 24 -5.021 23.466 -4.990 1.00 0.00 C ATOM 401 OE1 GLU A 24 -4.299 24.001 -5.856 1.00 0.00 O ATOM 402 OE2 GLU A 24 -6.082 22.865 -5.292 1.00 0.00 O ATOM 0 H GLU A 24 -1.801 23.724 -1.632 1.00 0.00 H new ATOM 0 HA GLU A 24 -4.347 22.298 -1.023 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -2.759 22.438 -3.624 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -4.171 21.436 -3.356 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -5.504 23.548 -2.892 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -4.091 24.485 -3.335 1.00 0.00 H new ATOM 409 N ILE A 25 -3.160 20.094 -0.619 1.00 0.00 N ATOM 410 CA ILE A 25 -2.469 18.886 -0.128 1.00 0.00 C ATOM 411 C ILE A 25 -2.399 17.828 -1.254 1.00 0.00 C ATOM 412 O ILE A 25 -3.435 17.412 -1.782 1.00 0.00 O ATOM 413 CB ILE A 25 -3.215 18.299 1.134 1.00 0.00 C ATOM 414 CG1 ILE A 25 -3.465 19.404 2.220 1.00 0.00 C ATOM 415 CG2 ILE A 25 -2.441 17.103 1.733 1.00 0.00 C ATOM 416 CD1 ILE A 25 -2.211 20.046 2.799 1.00 0.00 C ATOM 0 H ILE A 25 -4.172 20.062 -0.492 1.00 0.00 H new ATOM 0 HA ILE A 25 -1.455 19.155 0.168 1.00 0.00 H new ATOM 0 HB ILE A 25 -4.187 17.938 0.799 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -4.084 20.187 1.782 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -4.038 18.964 3.036 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -2.978 16.720 2.600 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -2.352 16.316 0.984 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -1.446 17.429 2.037 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -2.494 20.795 3.539 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -1.596 19.281 3.274 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -1.644 20.523 1.999 1.00 0.00 H new ATOM 428 N LEU A 26 -1.166 17.430 -1.634 1.00 0.00 N ATOM 429 CA LEU A 26 -0.908 16.429 -2.692 1.00 0.00 C ATOM 430 C LEU A 26 -0.311 15.166 -2.072 1.00 0.00 C ATOM 431 O LEU A 26 0.723 15.227 -1.415 1.00 0.00 O ATOM 432 CB LEU A 26 0.072 16.970 -3.789 1.00 0.00 C ATOM 433 CG LEU A 26 -0.460 18.079 -4.757 1.00 0.00 C ATOM 434 CD1 LEU A 26 -0.630 19.449 -4.062 1.00 0.00 C ATOM 435 CD2 LEU A 26 0.450 18.194 -6.008 1.00 0.00 C ATOM 0 H LEU A 26 -0.314 17.798 -1.211 1.00 0.00 H new ATOM 0 HA LEU A 26 -1.862 16.207 -3.170 1.00 0.00 H new ATOM 0 HB2 LEU A 26 0.956 17.360 -3.285 1.00 0.00 H new ATOM 0 HB3 LEU A 26 0.397 16.124 -4.395 1.00 0.00 H new ATOM 0 HG LEU A 26 -1.456 17.772 -5.076 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -1.001 20.179 -4.782 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -1.341 19.355 -3.241 1.00 0.00 H new ATOM 0 HD13 LEU A 26 0.332 19.781 -3.672 1.00 0.00 H new ATOM 0 HD21 LEU A 26 0.064 18.970 -6.669 1.00 0.00 H new ATOM 0 HD22 LEU A 26 1.463 18.452 -5.699 1.00 0.00 H new ATOM 0 HD23 LEU A 26 0.464 17.241 -6.537 1.00 0.00 H new ATOM 447 N GLU A 27 -0.963 14.029 -2.310 1.00 0.00 N ATOM 448 CA GLU A 27 -0.511 12.721 -1.844 1.00 0.00 C ATOM 449 C GLU A 27 0.569 12.162 -2.796 1.00 0.00 C ATOM 450 O GLU A 27 0.297 11.920 -3.979 1.00 0.00 O ATOM 451 CB GLU A 27 -1.721 11.750 -1.743 1.00 0.00 C ATOM 452 CG GLU A 27 -2.767 12.101 -0.662 1.00 0.00 C ATOM 453 CD GLU A 27 -3.620 13.339 -0.983 1.00 0.00 C ATOM 454 OE1 GLU A 27 -4.548 13.232 -1.815 1.00 0.00 O ATOM 455 OE2 GLU A 27 -3.349 14.427 -0.426 1.00 0.00 O ATOM 0 H GLU A 27 -1.833 13.991 -2.840 1.00 0.00 H new ATOM 0 HA GLU A 27 -0.069 12.824 -0.853 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -2.221 11.719 -2.711 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -1.344 10.746 -1.546 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -3.428 11.246 -0.522 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -2.252 12.265 0.285 1.00 0.00 H new ATOM 462 N THR A 28 1.788 11.973 -2.264 1.00 0.00 N ATOM 463 CA THR A 28 2.924 11.363 -2.989 1.00 0.00 C ATOM 464 C THR A 28 3.543 10.272 -2.109 1.00 0.00 C ATOM 465 O THR A 28 3.464 10.339 -0.882 1.00 0.00 O ATOM 466 CB THR A 28 4.016 12.419 -3.406 1.00 0.00 C ATOM 467 OG1 THR A 28 4.366 13.251 -2.294 1.00 0.00 O ATOM 468 CG2 THR A 28 3.549 13.307 -4.573 1.00 0.00 C ATOM 0 H THR A 28 2.019 12.241 -1.307 1.00 0.00 H new ATOM 0 HA THR A 28 2.543 10.934 -3.915 1.00 0.00 H new ATOM 0 HB THR A 28 4.888 11.854 -3.734 1.00 0.00 H new ATOM 0 HG1 THR A 28 3.890 12.945 -1.494 1.00 0.00 H new ATOM 0 HG21 THR A 28 4.335 14.019 -4.825 1.00 0.00 H new ATOM 0 HG22 THR A 28 3.332 12.684 -5.440 1.00 0.00 H new ATOM 0 HG23 THR A 28 2.649 13.848 -4.281 1.00 0.00 H new ATOM 476 N TRP A 29 4.165 9.278 -2.746 1.00 0.00 N ATOM 477 CA TRP A 29 4.640 8.058 -2.078 1.00 0.00 C ATOM 478 C TRP A 29 6.168 8.055 -2.048 1.00 0.00 C ATOM 479 O TRP A 29 6.819 7.923 -3.090 1.00 0.00 O ATOM 480 CB TRP A 29 4.093 6.805 -2.805 1.00 0.00 C ATOM 481 CG TRP A 29 2.580 6.748 -2.816 1.00 0.00 C ATOM 482 CD1 TRP A 29 1.743 7.245 -3.777 1.00 0.00 C ATOM 483 CD2 TRP A 29 1.730 6.177 -1.812 1.00 0.00 C ATOM 484 NE1 TRP A 29 0.439 6.984 -3.449 1.00 0.00 N ATOM 485 CE2 TRP A 29 0.399 6.341 -2.245 1.00 0.00 C ATOM 486 CE3 TRP A 29 1.968 5.535 -0.594 1.00 0.00 C ATOM 487 CZ2 TRP A 29 -0.690 5.890 -1.500 1.00 0.00 C ATOM 488 CZ3 TRP A 29 0.889 5.092 0.145 1.00 0.00 C ATOM 489 CH2 TRP A 29 -0.426 5.268 -0.308 1.00 0.00 C ATOM 0 H TRP A 29 4.356 9.294 -3.748 1.00 0.00 H new ATOM 0 HA TRP A 29 4.273 8.037 -1.052 1.00 0.00 H new ATOM 0 HB2 TRP A 29 4.460 6.797 -3.831 1.00 0.00 H new ATOM 0 HB3 TRP A 29 4.482 5.910 -2.320 1.00 0.00 H new ATOM 0 HD1 TRP A 29 2.064 7.768 -4.666 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -0.373 7.231 -4.014 1.00 0.00 H new ATOM 0 HE3 TRP A 29 2.977 5.388 -0.237 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -1.703 6.026 -1.849 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 1.062 4.600 1.091 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -1.247 4.906 0.294 1.00 0.00 H new ATOM 500 N GLU A 30 6.724 8.253 -0.849 1.00 0.00 N ATOM 501 CA GLU A 30 8.170 8.219 -0.628 1.00 0.00 C ATOM 502 C GLU A 30 8.577 6.801 -0.209 1.00 0.00 C ATOM 503 O GLU A 30 7.915 6.179 0.633 1.00 0.00 O ATOM 504 CB GLU A 30 8.624 9.265 0.426 1.00 0.00 C ATOM 505 CG GLU A 30 7.852 9.242 1.760 1.00 0.00 C ATOM 506 CD GLU A 30 8.618 9.912 2.910 1.00 0.00 C ATOM 507 OE1 GLU A 30 8.696 11.155 2.951 1.00 0.00 O ATOM 508 OE2 GLU A 30 9.163 9.197 3.770 1.00 0.00 O ATOM 0 H GLU A 30 6.183 8.441 -0.005 1.00 0.00 H new ATOM 0 HA GLU A 30 8.671 8.484 -1.559 1.00 0.00 H new ATOM 0 HB2 GLU A 30 9.682 9.108 0.636 1.00 0.00 H new ATOM 0 HB3 GLU A 30 8.530 10.259 -0.011 1.00 0.00 H new ATOM 0 HG2 GLU A 30 6.894 9.745 1.627 1.00 0.00 H new ATOM 0 HG3 GLU A 30 7.635 8.208 2.030 1.00 0.00 H new ATOM 515 N ASP A 31 9.653 6.293 -0.831 1.00 0.00 N ATOM 516 CA ASP A 31 10.218 4.966 -0.516 1.00 0.00 C ATOM 517 C ASP A 31 10.754 4.971 0.927 1.00 0.00 C ATOM 518 O ASP A 31 11.526 5.860 1.303 1.00 0.00 O ATOM 519 CB ASP A 31 11.323 4.559 -1.542 1.00 0.00 C ATOM 520 CG ASP A 31 12.458 5.587 -1.692 1.00 0.00 C ATOM 521 OD1 ASP A 31 12.327 6.508 -2.530 1.00 0.00 O ATOM 522 OD2 ASP A 31 13.482 5.487 -0.978 1.00 0.00 O ATOM 0 H ASP A 31 10.157 6.788 -1.566 1.00 0.00 H new ATOM 0 HA ASP A 31 9.431 4.216 -0.594 1.00 0.00 H new ATOM 0 HB2 ASP A 31 11.751 3.604 -1.237 1.00 0.00 H new ATOM 0 HB3 ASP A 31 10.859 4.403 -2.516 1.00 0.00 H new ATOM 527 N GLY A 32 10.323 3.992 1.739 1.00 0.00 N ATOM 528 CA GLY A 32 10.617 3.983 3.170 1.00 0.00 C ATOM 529 C GLY A 32 11.648 2.930 3.516 1.00 0.00 C ATOM 530 O GLY A 32 12.797 3.029 3.081 1.00 0.00 O ATOM 0 H GLY A 32 9.768 3.197 1.422 1.00 0.00 H new ATOM 0 HA2 GLY A 32 10.981 4.964 3.474 1.00 0.00 H new ATOM 0 HA3 GLY A 32 9.701 3.795 3.730 1.00 0.00 H new ATOM 534 N HIS A 33 11.233 1.911 4.276 1.00 0.00 N ATOM 535 CA HIS A 33 12.126 0.849 4.766 1.00 0.00 C ATOM 536 C HIS A 33 11.990 -0.391 3.884 1.00 0.00 C ATOM 537 O HIS A 33 10.881 -0.894 3.699 1.00 0.00 O ATOM 538 CB HIS A 33 11.763 0.518 6.233 1.00 0.00 C ATOM 539 CG HIS A 33 11.969 1.678 7.167 1.00 0.00 C ATOM 540 ND1 HIS A 33 10.935 2.424 7.695 1.00 0.00 N ATOM 541 CD2 HIS A 33 13.107 2.236 7.637 1.00 0.00 C ATOM 542 CE1 HIS A 33 11.432 3.384 8.452 1.00 0.00 C ATOM 543 NE2 HIS A 33 12.748 3.295 8.433 1.00 0.00 N ATOM 0 H HIS A 33 10.263 1.797 4.572 1.00 0.00 H new ATOM 0 HA HIS A 33 13.161 1.187 4.724 1.00 0.00 H new ATOM 0 HB2 HIS A 33 10.721 0.201 6.281 1.00 0.00 H new ATOM 0 HB3 HIS A 33 12.368 -0.324 6.570 1.00 0.00 H new ATOM 0 HD1 HIS A 33 9.943 2.259 7.527 1.00 0.00 H new ATOM 0 HD2 HIS A 33 14.114 1.909 7.425 1.00 0.00 H new ATOM 0 HE1 HIS A 33 10.858 4.119 8.996 1.00 0.00 H new ATOM 552 N THR A 34 13.108 -0.882 3.334 1.00 0.00 N ATOM 553 CA THR A 34 13.119 -2.083 2.503 1.00 0.00 C ATOM 554 C THR A 34 13.620 -3.264 3.359 1.00 0.00 C ATOM 555 O THR A 34 14.831 -3.445 3.526 1.00 0.00 O ATOM 556 CB THR A 34 14.019 -1.865 1.238 1.00 0.00 C ATOM 557 OG1 THR A 34 13.698 -0.595 0.641 1.00 0.00 O ATOM 558 CG2 THR A 34 13.833 -2.972 0.186 1.00 0.00 C ATOM 0 H THR A 34 14.027 -0.455 3.455 1.00 0.00 H new ATOM 0 HA THR A 34 12.113 -2.304 2.145 1.00 0.00 H new ATOM 0 HB THR A 34 15.058 -1.892 1.568 1.00 0.00 H new ATOM 0 HG1 THR A 34 13.046 -0.727 -0.078 1.00 0.00 H new ATOM 0 HG21 THR A 34 14.479 -2.773 -0.669 1.00 0.00 H new ATOM 0 HG22 THR A 34 14.095 -3.936 0.622 1.00 0.00 H new ATOM 0 HG23 THR A 34 12.793 -2.992 -0.141 1.00 0.00 H new ATOM 566 N LEU A 35 12.679 -4.033 3.948 1.00 0.00 N ATOM 567 CA LEU A 35 13.003 -5.138 4.895 1.00 0.00 C ATOM 568 C LEU A 35 12.552 -6.506 4.352 1.00 0.00 C ATOM 569 O LEU A 35 11.840 -6.576 3.356 1.00 0.00 O ATOM 570 CB LEU A 35 12.370 -4.897 6.307 1.00 0.00 C ATOM 571 CG LEU A 35 10.800 -4.990 6.433 1.00 0.00 C ATOM 572 CD1 LEU A 35 10.371 -5.197 7.898 1.00 0.00 C ATOM 573 CD2 LEU A 35 10.097 -3.747 5.846 1.00 0.00 C ATOM 0 H LEU A 35 11.679 -3.912 3.787 1.00 0.00 H new ATOM 0 HA LEU A 35 14.088 -5.146 4.997 1.00 0.00 H new ATOM 0 HB2 LEU A 35 12.805 -5.620 6.997 1.00 0.00 H new ATOM 0 HB3 LEU A 35 12.676 -3.908 6.647 1.00 0.00 H new ATOM 0 HG LEU A 35 10.490 -5.857 5.850 1.00 0.00 H new ATOM 0 HD11 LEU A 35 9.284 -5.257 7.954 1.00 0.00 H new ATOM 0 HD12 LEU A 35 10.806 -6.122 8.277 1.00 0.00 H new ATOM 0 HD13 LEU A 35 10.719 -4.358 8.501 1.00 0.00 H new ATOM 0 HD21 LEU A 35 9.018 -3.854 5.954 1.00 0.00 H new ATOM 0 HD22 LEU A 35 10.428 -2.856 6.379 1.00 0.00 H new ATOM 0 HD23 LEU A 35 10.348 -3.652 4.790 1.00 0.00 H new ATOM 585 N TRP A 36 13.010 -7.584 5.016 1.00 0.00 N ATOM 586 CA TRP A 36 12.680 -8.977 4.653 1.00 0.00 C ATOM 587 C TRP A 36 11.165 -9.292 4.810 1.00 0.00 C ATOM 588 O TRP A 36 10.527 -8.899 5.793 1.00 0.00 O ATOM 589 CB TRP A 36 13.530 -9.965 5.497 1.00 0.00 C ATOM 590 CG TRP A 36 15.039 -9.802 5.343 1.00 0.00 C ATOM 591 CD1 TRP A 36 15.953 -9.611 6.340 1.00 0.00 C ATOM 592 CD2 TRP A 36 15.797 -9.811 4.121 1.00 0.00 C ATOM 593 NE1 TRP A 36 17.215 -9.509 5.817 1.00 0.00 N ATOM 594 CE2 TRP A 36 17.146 -9.625 4.460 1.00 0.00 C ATOM 595 CE3 TRP A 36 15.465 -9.950 2.777 1.00 0.00 C ATOM 596 CZ2 TRP A 36 18.159 -9.587 3.503 1.00 0.00 C ATOM 597 CZ3 TRP A 36 16.462 -9.913 1.830 1.00 0.00 C ATOM 598 CH2 TRP A 36 17.799 -9.728 2.193 1.00 0.00 C ATOM 0 H TRP A 36 13.625 -7.513 5.827 1.00 0.00 H new ATOM 0 HA TRP A 36 12.921 -9.101 3.597 1.00 0.00 H new ATOM 0 HB2 TRP A 36 13.270 -9.840 6.548 1.00 0.00 H new ATOM 0 HB3 TRP A 36 13.258 -10.984 5.221 1.00 0.00 H new ATOM 0 HD1 TRP A 36 15.715 -9.549 7.392 1.00 0.00 H new ATOM 0 HE1 TRP A 36 18.069 -9.369 6.356 1.00 0.00 H new ATOM 0 HE3 TRP A 36 14.435 -10.086 2.480 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 19.192 -9.451 3.787 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 16.207 -10.029 0.787 1.00 0.00 H new ATOM 0 HH2 TRP A 36 18.559 -9.696 1.426 1.00 0.00 H new ATOM 609 N ALA A 37 10.621 -9.995 3.801 1.00 0.00 N ATOM 610 CA ALA A 37 9.213 -10.457 3.769 1.00 0.00 C ATOM 611 C ALA A 37 9.097 -11.874 3.212 1.00 0.00 C ATOM 612 O ALA A 37 10.044 -12.398 2.665 1.00 0.00 O ATOM 613 CB ALA A 37 8.353 -9.510 2.927 1.00 0.00 C ATOM 0 H ALA A 37 11.150 -10.264 2.972 1.00 0.00 H new ATOM 0 HA ALA A 37 8.853 -10.459 4.798 1.00 0.00 H new ATOM 0 HB1 ALA A 37 7.323 -9.867 2.916 1.00 0.00 H new ATOM 0 HB2 ALA A 37 8.386 -8.509 3.357 1.00 0.00 H new ATOM 0 HB3 ALA A 37 8.737 -9.479 1.907 1.00 0.00 H new ATOM 619 N SER A 38 7.931 -12.508 3.398 1.00 0.00 N ATOM 620 CA SER A 38 7.543 -13.734 2.702 1.00 0.00 C ATOM 621 C SER A 38 6.257 -13.412 1.935 1.00 0.00 C ATOM 622 O SER A 38 5.144 -13.481 2.482 1.00 0.00 O ATOM 623 CB SER A 38 7.329 -14.869 3.728 1.00 0.00 C ATOM 624 OG SER A 38 7.124 -16.127 3.101 1.00 0.00 O ATOM 0 H SER A 38 7.221 -12.174 4.049 1.00 0.00 H new ATOM 0 HA SER A 38 8.314 -14.074 2.010 1.00 0.00 H new ATOM 0 HB2 SER A 38 8.196 -14.930 4.386 1.00 0.00 H new ATOM 0 HB3 SER A 38 6.469 -14.633 4.355 1.00 0.00 H new ATOM 0 HG SER A 38 6.323 -16.085 2.539 1.00 0.00 H new ATOM 630 N VAL A 39 6.431 -12.999 0.680 1.00 0.00 N ATOM 631 CA VAL A 39 5.354 -12.497 -0.173 1.00 0.00 C ATOM 632 C VAL A 39 4.752 -13.666 -0.952 1.00 0.00 C ATOM 633 O VAL A 39 5.314 -14.112 -1.961 1.00 0.00 O ATOM 634 CB VAL A 39 5.898 -11.404 -1.162 1.00 0.00 C ATOM 635 CG1 VAL A 39 4.784 -10.851 -2.080 1.00 0.00 C ATOM 636 CG2 VAL A 39 6.597 -10.268 -0.385 1.00 0.00 C ATOM 0 H VAL A 39 7.341 -13.004 0.219 1.00 0.00 H new ATOM 0 HA VAL A 39 4.585 -12.037 0.448 1.00 0.00 H new ATOM 0 HB VAL A 39 6.634 -11.881 -1.808 1.00 0.00 H new ATOM 0 HG11 VAL A 39 5.203 -10.098 -2.748 1.00 0.00 H new ATOM 0 HG12 VAL A 39 4.361 -11.664 -2.670 1.00 0.00 H new ATOM 0 HG13 VAL A 39 4.001 -10.400 -1.471 1.00 0.00 H new ATOM 0 HG21 VAL A 39 6.967 -9.521 -1.087 1.00 0.00 H new ATOM 0 HG22 VAL A 39 5.886 -9.803 0.298 1.00 0.00 H new ATOM 0 HG23 VAL A 39 7.432 -10.677 0.184 1.00 0.00 H new ATOM 646 N ASN A 40 3.631 -14.193 -0.452 1.00 0.00 N ATOM 647 CA ASN A 40 2.930 -15.332 -1.057 1.00 0.00 C ATOM 648 C ASN A 40 1.512 -14.902 -1.462 1.00 0.00 C ATOM 649 O ASN A 40 0.707 -14.537 -0.598 1.00 0.00 O ATOM 650 CB ASN A 40 2.874 -16.519 -0.056 1.00 0.00 C ATOM 651 CG ASN A 40 4.260 -17.052 0.308 1.00 0.00 C ATOM 652 OD1 ASN A 40 4.869 -16.489 1.347 1.00 0.00 O flip ATOM 653 ND2 ASN A 40 4.790 -17.950 -0.352 1.00 0.00 N flip ATOM 0 H ASN A 40 3.180 -13.839 0.391 1.00 0.00 H new ATOM 0 HA ASN A 40 3.470 -15.659 -1.946 1.00 0.00 H new ATOM 0 HB2 ASN A 40 2.363 -16.199 0.852 1.00 0.00 H new ATOM 0 HB3 ASN A 40 2.281 -17.325 -0.488 1.00 0.00 H new ATOM 0 HD21 ASN A 40 4.295 -18.361 -1.144 1.00 0.00 H new ATOM 0 HD22 ASN A 40 5.723 -18.281 -0.106 1.00 0.00 H new ATOM 660 N MET A 41 1.221 -14.926 -2.774 1.00 0.00 N ATOM 661 CA MET A 41 -0.140 -14.674 -3.298 1.00 0.00 C ATOM 662 C MET A 41 -1.064 -15.806 -2.836 1.00 0.00 C ATOM 663 O MET A 41 -0.702 -16.980 -2.978 1.00 0.00 O ATOM 664 CB MET A 41 -0.138 -14.607 -4.848 1.00 0.00 C ATOM 665 CG MET A 41 0.807 -13.552 -5.432 1.00 0.00 C ATOM 666 SD MET A 41 0.833 -13.527 -7.246 1.00 0.00 S ATOM 667 CE MET A 41 -0.848 -13.060 -7.640 1.00 0.00 C ATOM 0 H MET A 41 1.913 -15.118 -3.498 1.00 0.00 H new ATOM 0 HA MET A 41 -0.492 -13.715 -2.918 1.00 0.00 H new ATOM 0 HB2 MET A 41 0.140 -15.585 -5.242 1.00 0.00 H new ATOM 0 HB3 MET A 41 -1.151 -14.401 -5.192 1.00 0.00 H new ATOM 0 HG2 MET A 41 0.510 -12.569 -5.067 1.00 0.00 H new ATOM 0 HG3 MET A 41 1.816 -13.737 -5.065 1.00 0.00 H new ATOM 0 HE1 MET A 41 -0.927 -12.853 -8.707 1.00 0.00 H new ATOM 0 HE2 MET A 41 -1.523 -13.875 -7.377 1.00 0.00 H new ATOM 0 HE3 MET A 41 -1.119 -12.168 -7.076 1.00 0.00 H new ATOM 677 N VAL A 42 -2.226 -15.464 -2.277 1.00 0.00 N ATOM 678 CA VAL A 42 -3.160 -16.469 -1.749 1.00 0.00 C ATOM 679 C VAL A 42 -3.817 -17.274 -2.897 1.00 0.00 C ATOM 680 O VAL A 42 -4.050 -16.743 -3.993 1.00 0.00 O ATOM 681 CB VAL A 42 -4.266 -15.835 -0.822 1.00 0.00 C ATOM 682 CG1 VAL A 42 -3.645 -15.054 0.368 1.00 0.00 C ATOM 683 CG2 VAL A 42 -5.270 -14.967 -1.620 1.00 0.00 C ATOM 0 H VAL A 42 -2.546 -14.501 -2.177 1.00 0.00 H new ATOM 0 HA VAL A 42 -2.571 -17.149 -1.134 1.00 0.00 H new ATOM 0 HB VAL A 42 -4.834 -16.664 -0.399 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -4.441 -14.633 0.982 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -3.041 -15.731 0.972 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -3.017 -14.249 -0.013 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -6.013 -14.551 -0.939 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -4.736 -14.155 -2.114 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -5.768 -15.583 -2.369 1.00 0.00 H new ATOM 693 N SER A 43 -4.083 -18.561 -2.636 1.00 0.00 N ATOM 694 CA SER A 43 -4.789 -19.443 -3.574 1.00 0.00 C ATOM 695 C SER A 43 -6.315 -19.259 -3.393 1.00 0.00 C ATOM 696 O SER A 43 -6.761 -18.540 -2.478 1.00 0.00 O ATOM 697 CB SER A 43 -4.326 -20.912 -3.351 1.00 0.00 C ATOM 698 OG SER A 43 -4.835 -21.782 -4.345 1.00 0.00 O ATOM 0 H SER A 43 -3.814 -19.020 -1.766 1.00 0.00 H new ATOM 0 HA SER A 43 -4.551 -19.185 -4.606 1.00 0.00 H new ATOM 0 HB2 SER A 43 -3.237 -20.954 -3.355 1.00 0.00 H new ATOM 0 HB3 SER A 43 -4.655 -21.251 -2.369 1.00 0.00 H new ATOM 0 HG SER A 43 -4.522 -22.694 -4.173 1.00 0.00 H new ATOM 704 N SER A 44 -7.098 -19.923 -4.261 1.00 0.00 N ATOM 705 CA SER A 44 -8.555 -19.715 -4.396 1.00 0.00 C ATOM 706 C SER A 44 -9.348 -20.016 -3.115 1.00 0.00 C ATOM 707 O SER A 44 -10.416 -19.431 -2.921 1.00 0.00 O ATOM 708 CB SER A 44 -9.097 -20.560 -5.573 1.00 0.00 C ATOM 709 OG SER A 44 -8.744 -21.927 -5.446 1.00 0.00 O ATOM 0 H SER A 44 -6.733 -20.630 -4.899 1.00 0.00 H new ATOM 0 HA SER A 44 -8.699 -18.653 -4.594 1.00 0.00 H new ATOM 0 HB2 SER A 44 -10.182 -20.467 -5.617 1.00 0.00 H new ATOM 0 HB3 SER A 44 -8.705 -20.169 -6.512 1.00 0.00 H new ATOM 0 HG SER A 44 -9.105 -22.430 -6.206 1.00 0.00 H new ATOM 715 N LYS A 45 -8.813 -20.896 -2.239 1.00 0.00 N ATOM 716 CA LYS A 45 -9.532 -21.342 -1.020 1.00 0.00 C ATOM 717 C LYS A 45 -9.820 -20.180 -0.055 1.00 0.00 C ATOM 718 O LYS A 45 -10.784 -20.235 0.697 1.00 0.00 O ATOM 719 CB LYS A 45 -8.799 -22.505 -0.277 1.00 0.00 C ATOM 720 CG LYS A 45 -7.537 -22.151 0.559 1.00 0.00 C ATOM 721 CD LYS A 45 -6.342 -21.662 -0.291 1.00 0.00 C ATOM 722 CE LYS A 45 -4.997 -21.721 0.464 1.00 0.00 C ATOM 723 NZ LYS A 45 -4.964 -20.860 1.677 1.00 0.00 N ATOM 0 H LYS A 45 -7.888 -21.312 -2.351 1.00 0.00 H new ATOM 0 HA LYS A 45 -10.488 -21.731 -1.371 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -9.518 -22.983 0.388 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -8.510 -23.248 -1.021 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -7.797 -21.378 1.282 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -7.231 -23.029 1.127 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -6.272 -22.270 -1.193 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -6.527 -20.637 -0.611 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -4.796 -22.752 0.754 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -4.196 -21.417 -0.210 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -4.275 -20.093 1.540 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -5.907 -20.453 1.840 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -4.686 -21.431 2.501 1.00 0.00 H new ATOM 737 N GLU A 46 -8.991 -19.123 -0.112 1.00 0.00 N ATOM 738 CA GLU A 46 -9.180 -17.904 0.699 1.00 0.00 C ATOM 739 C GLU A 46 -10.427 -17.140 0.246 1.00 0.00 C ATOM 740 O GLU A 46 -11.200 -16.656 1.077 1.00 0.00 O ATOM 741 CB GLU A 46 -7.929 -17.006 0.593 1.00 0.00 C ATOM 742 CG GLU A 46 -6.637 -17.688 1.064 1.00 0.00 C ATOM 743 CD GLU A 46 -6.684 -18.160 2.521 1.00 0.00 C ATOM 744 OE1 GLU A 46 -6.387 -17.358 3.425 1.00 0.00 O ATOM 745 OE2 GLU A 46 -7.002 -19.340 2.766 1.00 0.00 O ATOM 0 H GLU A 46 -8.172 -19.088 -0.720 1.00 0.00 H new ATOM 0 HA GLU A 46 -9.321 -18.195 1.740 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -7.806 -16.691 -0.443 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -8.089 -16.104 1.184 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -6.433 -18.544 0.421 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -5.806 -16.994 0.943 1.00 0.00 H new ATOM 752 N ALA A 47 -10.611 -17.064 -1.080 1.00 0.00 N ATOM 753 CA ALA A 47 -11.775 -16.409 -1.699 1.00 0.00 C ATOM 754 C ALA A 47 -13.059 -17.228 -1.457 1.00 0.00 C ATOM 755 O ALA A 47 -14.134 -16.663 -1.278 1.00 0.00 O ATOM 756 CB ALA A 47 -11.518 -16.221 -3.200 1.00 0.00 C ATOM 0 H ALA A 47 -9.956 -17.456 -1.756 1.00 0.00 H new ATOM 0 HA ALA A 47 -11.919 -15.431 -1.240 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -12.380 -15.736 -3.659 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -10.634 -15.600 -3.343 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -11.358 -17.193 -3.666 1.00 0.00 H new ATOM 762 N ILE A 48 -12.917 -18.565 -1.470 1.00 0.00 N ATOM 763 CA ILE A 48 -14.012 -19.503 -1.137 1.00 0.00 C ATOM 764 C ILE A 48 -14.432 -19.344 0.351 1.00 0.00 C ATOM 765 O ILE A 48 -15.631 -19.350 0.673 1.00 0.00 O ATOM 766 CB ILE A 48 -13.593 -21.001 -1.436 1.00 0.00 C ATOM 767 CG1 ILE A 48 -13.186 -21.167 -2.937 1.00 0.00 C ATOM 768 CG2 ILE A 48 -14.723 -22.001 -1.068 1.00 0.00 C ATOM 769 CD1 ILE A 48 -12.646 -22.537 -3.326 1.00 0.00 C ATOM 0 H ILE A 48 -12.041 -19.029 -1.711 1.00 0.00 H new ATOM 0 HA ILE A 48 -14.866 -19.259 -1.769 1.00 0.00 H new ATOM 0 HB ILE A 48 -12.732 -21.231 -0.808 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -14.056 -20.950 -3.557 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -12.431 -20.418 -3.175 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -14.396 -23.017 -1.288 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -14.953 -21.916 -0.006 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -15.615 -21.773 -1.651 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -12.395 -22.542 -4.387 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -11.753 -22.755 -2.741 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -13.403 -23.296 -3.129 1.00 0.00 H new ATOM 781 N SER A 49 -13.427 -19.164 1.238 1.00 0.00 N ATOM 782 CA SER A 49 -13.635 -19.026 2.700 1.00 0.00 C ATOM 783 C SER A 49 -14.390 -17.728 3.055 1.00 0.00 C ATOM 784 O SER A 49 -15.383 -17.760 3.790 1.00 0.00 O ATOM 785 CB SER A 49 -12.276 -19.064 3.441 1.00 0.00 C ATOM 786 OG SER A 49 -11.649 -20.318 3.284 1.00 0.00 O ATOM 0 H SER A 49 -12.447 -19.110 0.961 1.00 0.00 H new ATOM 0 HA SER A 49 -14.249 -19.867 3.022 1.00 0.00 H new ATOM 0 HB2 SER A 49 -11.626 -18.278 3.057 1.00 0.00 H new ATOM 0 HB3 SER A 49 -12.430 -18.861 4.501 1.00 0.00 H new ATOM 0 HG SER A 49 -11.297 -20.396 2.373 1.00 0.00 H new ATOM 792 N SER A 50 -13.913 -16.608 2.508 1.00 0.00 N ATOM 793 CA SER A 50 -14.392 -15.259 2.867 1.00 0.00 C ATOM 794 C SER A 50 -15.548 -14.787 1.964 1.00 0.00 C ATOM 795 O SER A 50 -16.299 -13.876 2.337 1.00 0.00 O ATOM 796 CB SER A 50 -13.206 -14.291 2.771 1.00 0.00 C ATOM 797 OG SER A 50 -12.650 -14.293 1.468 1.00 0.00 O ATOM 0 H SER A 50 -13.180 -16.605 1.799 1.00 0.00 H new ATOM 0 HA SER A 50 -14.788 -15.286 3.882 1.00 0.00 H new ATOM 0 HB2 SER A 50 -13.533 -13.284 3.029 1.00 0.00 H new ATOM 0 HB3 SER A 50 -12.443 -14.573 3.496 1.00 0.00 H new ATOM 0 HG SER A 50 -12.076 -15.080 1.358 1.00 0.00 H new ATOM 803 N GLY A 51 -15.687 -15.417 0.788 1.00 0.00 N ATOM 804 CA GLY A 51 -16.698 -15.032 -0.200 1.00 0.00 C ATOM 805 C GLY A 51 -16.155 -13.998 -1.178 1.00 0.00 C ATOM 806 O GLY A 51 -15.919 -14.303 -2.351 1.00 0.00 O ATOM 0 H GLY A 51 -15.104 -16.203 0.499 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -17.028 -15.915 -0.748 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -17.572 -14.628 0.310 1.00 0.00 H new ATOM 810 N ALA A 52 -15.920 -12.775 -0.674 1.00 0.00 N ATOM 811 CA ALA A 52 -15.420 -11.643 -1.483 1.00 0.00 C ATOM 812 C ALA A 52 -14.366 -10.810 -0.724 1.00 0.00 C ATOM 813 O ALA A 52 -13.652 -10.028 -1.356 1.00 0.00 O ATOM 814 CB ALA A 52 -16.601 -10.755 -1.940 1.00 0.00 C ATOM 0 H ALA A 52 -16.071 -12.540 0.307 1.00 0.00 H new ATOM 0 HA ALA A 52 -14.925 -12.055 -2.362 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -16.222 -9.924 -2.535 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -17.290 -11.348 -2.541 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -17.124 -10.367 -1.066 1.00 0.00 H new ATOM 820 N GLU A 53 -14.259 -10.990 0.625 1.00 0.00 N ATOM 821 CA GLU A 53 -13.326 -10.204 1.482 1.00 0.00 C ATOM 822 C GLU A 53 -11.859 -10.397 1.038 1.00 0.00 C ATOM 823 O GLU A 53 -11.084 -9.440 0.974 1.00 0.00 O ATOM 824 CB GLU A 53 -13.480 -10.592 2.982 1.00 0.00 C ATOM 825 CG GLU A 53 -14.916 -10.510 3.542 1.00 0.00 C ATOM 826 CD GLU A 53 -15.524 -9.097 3.477 1.00 0.00 C ATOM 827 OE1 GLU A 53 -15.133 -8.237 4.293 1.00 0.00 O ATOM 828 OE2 GLU A 53 -16.380 -8.837 2.602 1.00 0.00 O ATOM 0 H GLU A 53 -14.810 -11.675 1.142 1.00 0.00 H new ATOM 0 HA GLU A 53 -13.588 -9.153 1.364 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -13.113 -11.610 3.116 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -12.839 -9.941 3.576 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -15.554 -11.197 2.985 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -14.913 -10.847 4.578 1.00 0.00 H new ATOM 835 N LEU A 54 -11.503 -11.657 0.755 1.00 0.00 N ATOM 836 CA LEU A 54 -10.235 -12.040 0.111 1.00 0.00 C ATOM 837 C LEU A 54 -10.551 -12.510 -1.318 1.00 0.00 C ATOM 838 O LEU A 54 -11.636 -13.048 -1.567 1.00 0.00 O ATOM 839 CB LEU A 54 -9.520 -13.173 0.910 1.00 0.00 C ATOM 840 CG LEU A 54 -9.115 -12.822 2.382 1.00 0.00 C ATOM 841 CD1 LEU A 54 -8.547 -14.058 3.126 1.00 0.00 C ATOM 842 CD2 LEU A 54 -8.119 -11.633 2.423 1.00 0.00 C ATOM 0 H LEU A 54 -12.099 -12.456 0.971 1.00 0.00 H new ATOM 0 HA LEU A 54 -9.561 -11.184 0.089 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -10.175 -14.044 0.932 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -8.621 -13.463 0.366 1.00 0.00 H new ATOM 0 HG LEU A 54 -10.020 -12.514 2.905 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -8.277 -13.777 4.144 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -9.302 -14.844 3.155 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -7.663 -14.423 2.603 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -7.857 -11.413 3.458 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -7.218 -11.894 1.868 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -8.582 -10.755 1.972 1.00 0.00 H new ATOM 854 N ALA A 55 -9.608 -12.302 -2.238 1.00 0.00 N ATOM 855 CA ALA A 55 -9.754 -12.667 -3.662 1.00 0.00 C ATOM 856 C ALA A 55 -8.638 -13.637 -4.062 1.00 0.00 C ATOM 857 O ALA A 55 -7.669 -13.821 -3.318 1.00 0.00 O ATOM 858 CB ALA A 55 -9.735 -11.393 -4.530 1.00 0.00 C ATOM 0 H ALA A 55 -8.709 -11.871 -2.021 1.00 0.00 H new ATOM 0 HA ALA A 55 -10.709 -13.168 -3.821 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -9.843 -11.666 -5.580 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -10.559 -10.742 -4.238 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -8.790 -10.869 -4.387 1.00 0.00 H new ATOM 864 N ILE A 56 -8.777 -14.261 -5.239 1.00 0.00 N ATOM 865 CA ILE A 56 -7.795 -15.241 -5.731 1.00 0.00 C ATOM 866 C ILE A 56 -6.548 -14.491 -6.251 1.00 0.00 C ATOM 867 O ILE A 56 -6.633 -13.734 -7.222 1.00 0.00 O ATOM 868 CB ILE A 56 -8.389 -16.147 -6.876 1.00 0.00 C ATOM 869 CG1 ILE A 56 -9.795 -16.707 -6.472 1.00 0.00 C ATOM 870 CG2 ILE A 56 -7.405 -17.293 -7.251 1.00 0.00 C ATOM 871 CD1 ILE A 56 -10.500 -17.525 -7.546 1.00 0.00 C ATOM 0 H ILE A 56 -9.562 -14.105 -5.871 1.00 0.00 H new ATOM 0 HA ILE A 56 -7.526 -15.896 -4.903 1.00 0.00 H new ATOM 0 HB ILE A 56 -8.522 -15.528 -7.763 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -9.680 -17.327 -5.583 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -10.436 -15.870 -6.196 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -7.841 -17.902 -8.043 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -6.464 -16.866 -7.598 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -7.220 -17.915 -6.375 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -11.464 -17.867 -7.169 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -10.655 -16.907 -8.431 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -9.887 -18.387 -7.808 1.00 0.00 H new ATOM 883 N GLY A 57 -5.412 -14.683 -5.573 1.00 0.00 N ATOM 884 CA GLY A 57 -4.165 -13.989 -5.911 1.00 0.00 C ATOM 885 C GLY A 57 -3.932 -12.742 -5.068 1.00 0.00 C ATOM 886 O GLY A 57 -2.970 -12.006 -5.318 1.00 0.00 O ATOM 0 H GLY A 57 -5.331 -15.319 -4.780 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -3.327 -14.673 -5.778 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -4.184 -13.710 -6.965 1.00 0.00 H new ATOM 890 N THR A 58 -4.822 -12.493 -4.075 1.00 0.00 N ATOM 891 CA THR A 58 -4.620 -11.431 -3.065 1.00 0.00 C ATOM 892 C THR A 58 -3.275 -11.651 -2.338 1.00 0.00 C ATOM 893 O THR A 58 -3.076 -12.650 -1.655 1.00 0.00 O ATOM 894 CB THR A 58 -5.818 -11.378 -2.047 1.00 0.00 C ATOM 895 OG1 THR A 58 -6.981 -10.865 -2.705 1.00 0.00 O ATOM 896 CG2 THR A 58 -5.518 -10.542 -0.785 1.00 0.00 C ATOM 0 H THR A 58 -5.689 -13.017 -3.955 1.00 0.00 H new ATOM 0 HA THR A 58 -4.588 -10.467 -3.573 1.00 0.00 H new ATOM 0 HB THR A 58 -5.987 -12.399 -1.706 1.00 0.00 H new ATOM 0 HG1 THR A 58 -7.460 -10.262 -2.099 1.00 0.00 H new ATOM 0 HG21 THR A 58 -6.388 -10.550 -0.128 1.00 0.00 H new ATOM 0 HG22 THR A 58 -4.663 -10.969 -0.260 1.00 0.00 H new ATOM 0 HG23 THR A 58 -5.291 -9.516 -1.074 1.00 0.00 H new ATOM 904 N VAL A 59 -2.357 -10.724 -2.553 1.00 0.00 N ATOM 905 CA VAL A 59 -0.964 -10.861 -2.154 1.00 0.00 C ATOM 906 C VAL A 59 -0.805 -10.718 -0.627 1.00 0.00 C ATOM 907 O VAL A 59 -0.966 -9.627 -0.076 1.00 0.00 O ATOM 908 CB VAL A 59 -0.089 -9.804 -2.913 1.00 0.00 C ATOM 909 CG1 VAL A 59 1.402 -9.962 -2.560 1.00 0.00 C ATOM 910 CG2 VAL A 59 -0.335 -9.907 -4.445 1.00 0.00 C ATOM 0 H VAL A 59 -2.561 -9.839 -3.018 1.00 0.00 H new ATOM 0 HA VAL A 59 -0.621 -11.860 -2.423 1.00 0.00 H new ATOM 0 HB VAL A 59 -0.387 -8.806 -2.591 1.00 0.00 H new ATOM 0 HG11 VAL A 59 1.985 -9.216 -3.101 1.00 0.00 H new ATOM 0 HG12 VAL A 59 1.539 -9.822 -1.488 1.00 0.00 H new ATOM 0 HG13 VAL A 59 1.739 -10.960 -2.842 1.00 0.00 H new ATOM 0 HG21 VAL A 59 0.278 -9.169 -4.962 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -0.068 -10.906 -4.790 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -1.387 -9.719 -4.658 1.00 0.00 H new ATOM 920 N ARG A 60 -0.538 -11.850 0.044 1.00 0.00 N ATOM 921 CA ARG A 60 -0.278 -11.886 1.488 1.00 0.00 C ATOM 922 C ARG A 60 1.238 -11.736 1.718 1.00 0.00 C ATOM 923 O ARG A 60 2.034 -12.391 1.050 1.00 0.00 O ATOM 924 CB ARG A 60 -0.819 -13.210 2.082 1.00 0.00 C ATOM 925 CG ARG A 60 -0.691 -13.341 3.615 1.00 0.00 C ATOM 926 CD ARG A 60 -1.377 -14.611 4.158 1.00 0.00 C ATOM 927 NE ARG A 60 -2.829 -14.634 3.865 1.00 0.00 N ATOM 928 CZ ARG A 60 -3.805 -14.889 4.753 1.00 0.00 C ATOM 929 NH1 ARG A 60 -3.537 -15.085 6.041 1.00 0.00 N ATOM 930 NH2 ARG A 60 -5.060 -14.926 4.342 1.00 0.00 N ATOM 0 H ARG A 60 -0.497 -12.766 -0.402 1.00 0.00 H new ATOM 0 HA ARG A 60 -0.790 -11.066 1.992 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -1.870 -13.309 1.811 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -0.290 -14.042 1.616 1.00 0.00 H new ATOM 0 HG2 ARG A 60 0.364 -13.357 3.888 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -1.130 -12.463 4.089 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -0.906 -15.491 3.720 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -1.225 -14.671 5.236 1.00 0.00 H new ATOM 0 HE ARG A 60 -3.113 -14.439 2.905 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -2.574 -15.043 6.374 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -4.295 -15.277 6.696 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -5.280 -14.762 3.360 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -5.809 -15.119 5.007 1.00 0.00 H new ATOM 944 N ILE A 61 1.617 -10.871 2.667 1.00 0.00 N ATOM 945 CA ILE A 61 3.014 -10.431 2.854 1.00 0.00 C ATOM 946 C ILE A 61 3.365 -10.510 4.347 1.00 0.00 C ATOM 947 O ILE A 61 2.862 -9.732 5.148 1.00 0.00 O ATOM 948 CB ILE A 61 3.230 -8.963 2.294 1.00 0.00 C ATOM 949 CG1 ILE A 61 2.881 -8.919 0.768 1.00 0.00 C ATOM 950 CG2 ILE A 61 4.672 -8.444 2.567 1.00 0.00 C ATOM 951 CD1 ILE A 61 2.904 -7.552 0.117 1.00 0.00 C ATOM 0 H ILE A 61 0.965 -10.453 3.331 1.00 0.00 H new ATOM 0 HA ILE A 61 3.677 -11.088 2.292 1.00 0.00 H new ATOM 0 HB ILE A 61 2.555 -8.292 2.825 1.00 0.00 H new ATOM 0 HG12 ILE A 61 3.582 -9.563 0.237 1.00 0.00 H new ATOM 0 HG13 ILE A 61 1.888 -9.347 0.631 1.00 0.00 H new ATOM 0 HG21 ILE A 61 4.777 -7.435 2.167 1.00 0.00 H new ATOM 0 HG22 ILE A 61 4.856 -8.430 3.641 1.00 0.00 H new ATOM 0 HG23 ILE A 61 5.393 -9.103 2.084 1.00 0.00 H new ATOM 0 HD11 ILE A 61 2.647 -7.647 -0.938 1.00 0.00 H new ATOM 0 HD12 ILE A 61 2.181 -6.902 0.610 1.00 0.00 H new ATOM 0 HD13 ILE A 61 3.901 -7.121 0.210 1.00 0.00 H new ATOM 963 N TRP A 62 4.204 -11.484 4.708 1.00 0.00 N ATOM 964 CA TRP A 62 4.649 -11.703 6.098 1.00 0.00 C ATOM 965 C TRP A 62 5.935 -10.928 6.362 1.00 0.00 C ATOM 966 O TRP A 62 6.907 -11.126 5.664 1.00 0.00 O ATOM 967 CB TRP A 62 4.904 -13.216 6.355 1.00 0.00 C ATOM 968 CG TRP A 62 3.672 -14.083 6.425 1.00 0.00 C ATOM 969 CD1 TRP A 62 2.417 -13.805 5.966 1.00 0.00 C ATOM 970 CD2 TRP A 62 3.607 -15.394 6.990 1.00 0.00 C ATOM 971 NE1 TRP A 62 1.579 -14.852 6.232 1.00 0.00 N ATOM 972 CE2 TRP A 62 2.285 -15.842 6.861 1.00 0.00 C ATOM 973 CE3 TRP A 62 4.552 -16.222 7.606 1.00 0.00 C ATOM 974 CZ2 TRP A 62 1.877 -17.092 7.315 1.00 0.00 C ATOM 975 CZ3 TRP A 62 4.151 -17.457 8.066 1.00 0.00 C ATOM 976 CH2 TRP A 62 2.819 -17.885 7.922 1.00 0.00 C ATOM 0 H TRP A 62 4.600 -12.150 4.045 1.00 0.00 H new ATOM 0 HA TRP A 62 3.865 -11.352 6.769 1.00 0.00 H new ATOM 0 HB2 TRP A 62 5.549 -13.597 5.563 1.00 0.00 H new ATOM 0 HB3 TRP A 62 5.453 -13.320 7.291 1.00 0.00 H new ATOM 0 HD1 TRP A 62 2.128 -12.892 5.466 1.00 0.00 H new ATOM 0 HE1 TRP A 62 0.587 -14.890 5.999 1.00 0.00 H new ATOM 0 HE3 TRP A 62 5.576 -15.899 7.719 1.00 0.00 H new ATOM 0 HZ2 TRP A 62 0.857 -17.426 7.194 1.00 0.00 H new ATOM 0 HZ3 TRP A 62 4.870 -18.106 8.544 1.00 0.00 H new ATOM 0 HH2 TRP A 62 2.532 -18.856 8.296 1.00 0.00 H new ATOM 987 N ILE A 63 5.940 -10.075 7.380 1.00 0.00 N ATOM 988 CA ILE A 63 7.153 -9.385 7.862 1.00 0.00 C ATOM 989 C ILE A 63 7.208 -9.550 9.380 1.00 0.00 C ATOM 990 O ILE A 63 6.221 -9.968 9.984 1.00 0.00 O ATOM 991 CB ILE A 63 7.178 -7.849 7.485 1.00 0.00 C ATOM 992 CG1 ILE A 63 5.942 -7.099 8.062 1.00 0.00 C ATOM 993 CG2 ILE A 63 7.272 -7.649 5.953 1.00 0.00 C ATOM 994 CD1 ILE A 63 5.990 -5.592 7.902 1.00 0.00 C ATOM 0 H ILE A 63 5.100 -9.834 7.905 1.00 0.00 H new ATOM 0 HA ILE A 63 8.022 -9.832 7.378 1.00 0.00 H new ATOM 0 HB ILE A 63 8.071 -7.420 7.939 1.00 0.00 H new ATOM 0 HG12 ILE A 63 5.044 -7.475 7.573 1.00 0.00 H new ATOM 0 HG13 ILE A 63 5.851 -7.336 9.122 1.00 0.00 H new ATOM 0 HG21 ILE A 63 7.287 -6.583 5.725 1.00 0.00 H new ATOM 0 HG22 ILE A 63 8.186 -8.113 5.581 1.00 0.00 H new ATOM 0 HG23 ILE A 63 6.409 -8.110 5.472 1.00 0.00 H new ATOM 0 HD11 ILE A 63 5.090 -5.152 8.332 1.00 0.00 H new ATOM 0 HD12 ILE A 63 6.867 -5.199 8.416 1.00 0.00 H new ATOM 0 HD13 ILE A 63 6.047 -5.340 6.843 1.00 0.00 H new ATOM 1006 N ARG A 64 8.376 -9.296 9.983 1.00 0.00 N ATOM 1007 CA ARG A 64 8.508 -9.167 11.457 1.00 0.00 C ATOM 1008 C ARG A 64 7.498 -8.156 12.031 1.00 0.00 C ATOM 1009 O ARG A 64 7.111 -7.202 11.341 1.00 0.00 O ATOM 1010 CB ARG A 64 9.948 -8.758 11.851 1.00 0.00 C ATOM 1011 CG ARG A 64 11.007 -9.828 11.536 1.00 0.00 C ATOM 1012 CD ARG A 64 12.411 -9.419 11.991 1.00 0.00 C ATOM 1013 NE ARG A 64 13.398 -10.462 11.671 1.00 0.00 N ATOM 1014 CZ ARG A 64 14.370 -10.894 12.481 1.00 0.00 C ATOM 1015 NH1 ARG A 64 14.503 -10.405 13.700 1.00 0.00 N ATOM 1016 NH2 ARG A 64 15.205 -11.812 12.054 1.00 0.00 N ATOM 0 H ARG A 64 9.253 -9.174 9.478 1.00 0.00 H new ATOM 0 HA ARG A 64 8.290 -10.145 11.885 1.00 0.00 H new ATOM 0 HB2 ARG A 64 10.209 -7.837 11.329 1.00 0.00 H new ATOM 0 HB3 ARG A 64 9.974 -8.538 12.918 1.00 0.00 H new ATOM 0 HG2 ARG A 64 10.729 -10.763 12.023 1.00 0.00 H new ATOM 0 HG3 ARG A 64 11.018 -10.018 10.463 1.00 0.00 H new ATOM 0 HD2 ARG A 64 12.695 -8.485 11.507 1.00 0.00 H new ATOM 0 HD3 ARG A 64 12.409 -9.234 13.065 1.00 0.00 H new ATOM 0 HE ARG A 64 13.335 -10.894 10.749 1.00 0.00 H new ATOM 0 HH11 ARG A 64 13.859 -9.688 14.035 1.00 0.00 H new ATOM 0 HH12 ARG A 64 15.249 -10.744 14.307 1.00 0.00 H new ATOM 0 HH21 ARG A 64 15.109 -12.190 11.111 1.00 0.00 H new ATOM 0 HH22 ARG A 64 15.950 -12.148 12.665 1.00 0.00 H new ATOM 1030 N TYR A 65 7.078 -8.396 13.290 1.00 0.00 N ATOM 1031 CA TYR A 65 6.106 -7.548 13.999 1.00 0.00 C ATOM 1032 C TYR A 65 6.614 -6.096 14.050 1.00 0.00 C ATOM 1033 O TYR A 65 7.563 -5.789 14.774 1.00 0.00 O ATOM 1034 CB TYR A 65 5.836 -8.101 15.421 1.00 0.00 C ATOM 1035 CG TYR A 65 4.738 -7.333 16.175 1.00 0.00 C ATOM 1036 CD1 TYR A 65 5.033 -6.219 16.970 1.00 0.00 C ATOM 1037 CD2 TYR A 65 3.404 -7.710 16.058 1.00 0.00 C ATOM 1038 CE1 TYR A 65 4.040 -5.524 17.616 1.00 0.00 C ATOM 1039 CE2 TYR A 65 2.414 -7.011 16.707 1.00 0.00 C ATOM 1040 CZ TYR A 65 2.737 -5.917 17.483 1.00 0.00 C ATOM 1041 OH TYR A 65 1.747 -5.220 18.129 1.00 0.00 O ATOM 0 H TYR A 65 7.407 -9.187 13.843 1.00 0.00 H new ATOM 0 HA TYR A 65 5.161 -7.560 13.456 1.00 0.00 H new ATOM 0 HB2 TYR A 65 5.550 -9.150 15.347 1.00 0.00 H new ATOM 0 HB3 TYR A 65 6.759 -8.062 15.999 1.00 0.00 H new ATOM 0 HD1 TYR A 65 6.059 -5.901 17.077 1.00 0.00 H new ATOM 0 HD2 TYR A 65 3.143 -8.563 15.449 1.00 0.00 H new ATOM 0 HE1 TYR A 65 4.288 -4.669 18.228 1.00 0.00 H new ATOM 0 HE2 TYR A 65 1.383 -7.318 16.609 1.00 0.00 H new ATOM 0 HH TYR A 65 1.034 -4.999 17.494 1.00 0.00 H new ATOM 1051 N ARG A 66 5.974 -5.218 13.267 1.00 0.00 N ATOM 1052 CA ARG A 66 6.485 -3.866 13.010 1.00 0.00 C ATOM 1053 C ARG A 66 5.351 -2.820 13.106 1.00 0.00 C ATOM 1054 O ARG A 66 4.410 -2.833 12.306 1.00 0.00 O ATOM 1055 CB ARG A 66 7.177 -3.853 11.617 1.00 0.00 C ATOM 1056 CG ARG A 66 7.919 -2.553 11.286 1.00 0.00 C ATOM 1057 CD ARG A 66 8.708 -2.632 9.969 1.00 0.00 C ATOM 1058 NE ARG A 66 9.394 -1.357 9.694 1.00 0.00 N ATOM 1059 CZ ARG A 66 10.697 -1.113 9.892 1.00 0.00 C ATOM 1060 NH1 ARG A 66 11.547 -2.080 10.218 1.00 0.00 N ATOM 1061 NH2 ARG A 66 11.146 0.118 9.746 1.00 0.00 N ATOM 0 H ARG A 66 5.093 -5.423 12.796 1.00 0.00 H new ATOM 0 HA ARG A 66 7.219 -3.594 13.769 1.00 0.00 H new ATOM 0 HB2 ARG A 66 7.883 -4.682 11.569 1.00 0.00 H new ATOM 0 HB3 ARG A 66 6.424 -4.032 10.850 1.00 0.00 H new ATOM 0 HG2 ARG A 66 7.200 -1.736 11.224 1.00 0.00 H new ATOM 0 HG3 ARG A 66 8.604 -2.314 12.100 1.00 0.00 H new ATOM 0 HD2 ARG A 66 9.439 -3.439 10.025 1.00 0.00 H new ATOM 0 HD3 ARG A 66 8.032 -2.871 9.148 1.00 0.00 H new ATOM 0 HE ARG A 66 8.829 -0.595 9.321 1.00 0.00 H new ATOM 0 HH11 ARG A 66 11.213 -3.038 10.324 1.00 0.00 H new ATOM 0 HH12 ARG A 66 12.533 -1.865 10.363 1.00 0.00 H new ATOM 0 HH21 ARG A 66 10.505 0.867 9.486 1.00 0.00 H new ATOM 0 HH22 ARG A 66 12.135 0.321 9.893 1.00 0.00 H new ATOM 1075 N LYS A 67 5.480 -1.901 14.086 1.00 0.00 N ATOM 1076 CA LYS A 67 4.503 -0.817 14.360 1.00 0.00 C ATOM 1077 C LYS A 67 4.751 0.425 13.455 1.00 0.00 C ATOM 1078 O LYS A 67 4.132 1.478 13.640 1.00 0.00 O ATOM 1079 CB LYS A 67 4.615 -0.413 15.857 1.00 0.00 C ATOM 1080 CG LYS A 67 4.410 -1.580 16.846 1.00 0.00 C ATOM 1081 CD LYS A 67 4.610 -1.144 18.316 1.00 0.00 C ATOM 1082 CE LYS A 67 4.428 -2.304 19.308 1.00 0.00 C ATOM 1083 NZ LYS A 67 4.576 -1.871 20.718 1.00 0.00 N ATOM 0 H LYS A 67 6.278 -1.888 14.721 1.00 0.00 H new ATOM 0 HA LYS A 67 3.502 -1.186 14.138 1.00 0.00 H new ATOM 0 HB2 LYS A 67 5.597 0.027 16.030 1.00 0.00 H new ATOM 0 HB3 LYS A 67 3.878 0.361 16.069 1.00 0.00 H new ATOM 0 HG2 LYS A 67 3.406 -1.986 16.723 1.00 0.00 H new ATOM 0 HG3 LYS A 67 5.109 -2.382 16.609 1.00 0.00 H new ATOM 0 HD2 LYS A 67 5.609 -0.724 18.434 1.00 0.00 H new ATOM 0 HD3 LYS A 67 3.901 -0.352 18.556 1.00 0.00 H new ATOM 0 HE2 LYS A 67 3.442 -2.746 19.168 1.00 0.00 H new ATOM 0 HE3 LYS A 67 5.160 -3.082 19.091 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 4.445 -2.688 21.348 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 5.526 -1.473 20.861 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 3.861 -1.148 20.936 1.00 0.00 H new ATOM 1097 N ASP A 68 5.646 0.267 12.470 1.00 0.00 N ATOM 1098 CA ASP A 68 6.108 1.338 11.553 1.00 0.00 C ATOM 1099 C ASP A 68 5.252 1.356 10.268 1.00 0.00 C ATOM 1100 O ASP A 68 5.198 2.364 9.552 1.00 0.00 O ATOM 1101 CB ASP A 68 7.614 1.073 11.240 1.00 0.00 C ATOM 1102 CG ASP A 68 8.248 1.972 10.165 1.00 0.00 C ATOM 1103 OD1 ASP A 68 8.558 3.141 10.463 1.00 0.00 O ATOM 1104 OD2 ASP A 68 8.473 1.493 9.023 1.00 0.00 O ATOM 0 H ASP A 68 6.086 -0.633 12.277 1.00 0.00 H new ATOM 0 HA ASP A 68 5.998 2.319 12.015 1.00 0.00 H new ATOM 0 HB2 ASP A 68 8.182 1.188 12.163 1.00 0.00 H new ATOM 0 HB3 ASP A 68 7.722 0.035 10.927 1.00 0.00 H new ATOM 1109 N ILE A 69 4.569 0.230 10.003 1.00 0.00 N ATOM 1110 CA ILE A 69 3.711 0.058 8.812 1.00 0.00 C ATOM 1111 C ILE A 69 2.317 0.641 9.093 1.00 0.00 C ATOM 1112 O ILE A 69 1.787 0.476 10.196 1.00 0.00 O ATOM 1113 CB ILE A 69 3.571 -1.463 8.415 1.00 0.00 C ATOM 1114 CG1 ILE A 69 4.947 -2.191 8.511 1.00 0.00 C ATOM 1115 CG2 ILE A 69 2.950 -1.630 6.998 1.00 0.00 C ATOM 1116 CD1 ILE A 69 6.061 -1.587 7.675 1.00 0.00 C ATOM 0 H ILE A 69 4.594 -0.590 10.608 1.00 0.00 H new ATOM 0 HA ILE A 69 4.179 0.586 7.981 1.00 0.00 H new ATOM 0 HB ILE A 69 2.889 -1.928 9.127 1.00 0.00 H new ATOM 0 HG12 ILE A 69 5.262 -2.200 9.554 1.00 0.00 H new ATOM 0 HG13 ILE A 69 4.812 -3.230 8.210 1.00 0.00 H new ATOM 0 HG21 ILE A 69 2.869 -2.690 6.759 1.00 0.00 H new ATOM 0 HG22 ILE A 69 1.959 -1.177 6.979 1.00 0.00 H new ATOM 0 HG23 ILE A 69 3.587 -1.140 6.262 1.00 0.00 H new ATOM 0 HD11 ILE A 69 6.974 -2.166 7.812 1.00 0.00 H new ATOM 0 HD12 ILE A 69 5.776 -1.603 6.623 1.00 0.00 H new ATOM 0 HD13 ILE A 69 6.234 -0.557 7.989 1.00 0.00 H new ATOM 1128 N ASN A 70 1.726 1.318 8.102 1.00 0.00 N ATOM 1129 CA ASN A 70 0.344 1.839 8.187 1.00 0.00 C ATOM 1130 C ASN A 70 -0.426 1.425 6.926 1.00 0.00 C ATOM 1131 O ASN A 70 0.170 0.961 5.956 1.00 0.00 O ATOM 1132 CB ASN A 70 0.339 3.389 8.361 1.00 0.00 C ATOM 1133 CG ASN A 70 -1.045 3.956 8.726 1.00 0.00 C ATOM 1134 OD1 ASN A 70 -1.804 4.401 7.870 1.00 0.00 O ATOM 1135 ND2 ASN A 70 -1.406 3.881 9.995 1.00 0.00 N ATOM 0 H ASN A 70 2.187 1.524 7.216 1.00 0.00 H new ATOM 0 HA ASN A 70 -0.146 1.415 9.063 1.00 0.00 H new ATOM 0 HB2 ASN A 70 1.053 3.663 9.138 1.00 0.00 H new ATOM 0 HB3 ASN A 70 0.682 3.853 7.436 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -2.333 4.197 10.281 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -0.758 3.507 10.688 1.00 0.00 H new ATOM 1142 N ALA A 71 -1.760 1.572 6.967 1.00 0.00 N ATOM 1143 CA ALA A 71 -2.637 1.312 5.820 1.00 0.00 C ATOM 1144 C ALA A 71 -2.378 2.317 4.670 1.00 0.00 C ATOM 1145 O ALA A 71 -2.627 2.009 3.503 1.00 0.00 O ATOM 1146 CB ALA A 71 -4.108 1.335 6.264 1.00 0.00 C ATOM 0 H ALA A 71 -2.260 1.876 7.802 1.00 0.00 H new ATOM 0 HA ALA A 71 -2.410 0.319 5.432 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -4.750 1.141 5.405 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -4.272 0.567 7.020 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -4.347 2.313 6.682 1.00 0.00 H new ATOM 1152 N THR A 72 -1.828 3.499 5.017 1.00 0.00 N ATOM 1153 CA THR A 72 -1.389 4.525 4.051 1.00 0.00 C ATOM 1154 C THR A 72 0.057 4.232 3.569 1.00 0.00 C ATOM 1155 O THR A 72 0.894 5.136 3.432 1.00 0.00 O ATOM 1156 CB THR A 72 -1.460 5.957 4.702 1.00 0.00 C ATOM 1157 OG1 THR A 72 -0.619 6.003 5.871 1.00 0.00 O ATOM 1158 CG2 THR A 72 -2.898 6.352 5.092 1.00 0.00 C ATOM 0 H THR A 72 -1.675 3.770 5.988 1.00 0.00 H new ATOM 0 HA THR A 72 -2.058 4.496 3.191 1.00 0.00 H new ATOM 0 HB THR A 72 -1.111 6.670 3.955 1.00 0.00 H new ATOM 0 HG1 THR A 72 -1.045 5.506 6.600 1.00 0.00 H new ATOM 0 HG21 THR A 72 -2.894 7.347 5.537 1.00 0.00 H new ATOM 0 HG22 THR A 72 -3.529 6.354 4.203 1.00 0.00 H new ATOM 0 HG23 THR A 72 -3.290 5.634 5.813 1.00 0.00 H new ATOM 1166 N SER A 73 0.344 2.943 3.302 1.00 0.00 N ATOM 1167 CA SER A 73 1.620 2.492 2.744 1.00 0.00 C ATOM 1168 C SER A 73 1.346 1.543 1.566 1.00 0.00 C ATOM 1169 O SER A 73 0.325 0.849 1.550 1.00 0.00 O ATOM 1170 CB SER A 73 2.480 1.797 3.828 1.00 0.00 C ATOM 1171 OG SER A 73 2.723 2.657 4.942 1.00 0.00 O ATOM 0 H SER A 73 -0.315 2.183 3.472 1.00 0.00 H new ATOM 0 HA SER A 73 2.182 3.354 2.386 1.00 0.00 H new ATOM 0 HB2 SER A 73 1.975 0.894 4.169 1.00 0.00 H new ATOM 0 HB3 SER A 73 3.430 1.486 3.394 1.00 0.00 H new ATOM 0 HG SER A 73 3.267 2.185 5.607 1.00 0.00 H new ATOM 1177 N ARG A 74 2.232 1.552 0.555 1.00 0.00 N ATOM 1178 CA ARG A 74 2.187 0.590 -0.555 1.00 0.00 C ATOM 1179 C ARG A 74 3.441 -0.279 -0.506 1.00 0.00 C ATOM 1180 O ARG A 74 4.561 0.214 -0.588 1.00 0.00 O ATOM 1181 CB ARG A 74 2.075 1.281 -1.928 1.00 0.00 C ATOM 1182 CG ARG A 74 0.821 2.159 -2.108 1.00 0.00 C ATOM 1183 CD ARG A 74 0.659 2.673 -3.550 1.00 0.00 C ATOM 1184 NE ARG A 74 1.886 3.312 -4.076 1.00 0.00 N ATOM 1185 CZ ARG A 74 1.947 4.087 -5.166 1.00 0.00 C ATOM 1186 NH1 ARG A 74 0.844 4.498 -5.777 1.00 0.00 N ATOM 1187 NH2 ARG A 74 3.120 4.505 -5.597 1.00 0.00 N ATOM 0 H ARG A 74 2.996 2.224 0.486 1.00 0.00 H new ATOM 0 HA ARG A 74 1.293 -0.022 -0.436 1.00 0.00 H new ATOM 0 HB2 ARG A 74 2.960 1.899 -2.081 1.00 0.00 H new ATOM 0 HB3 ARG A 74 2.081 0.517 -2.705 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -0.063 1.585 -1.830 1.00 0.00 H new ATOM 0 HG3 ARG A 74 0.876 3.009 -1.428 1.00 0.00 H new ATOM 0 HD2 ARG A 74 0.383 1.841 -4.198 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -0.161 3.390 -3.585 1.00 0.00 H new ATOM 0 HE ARG A 74 2.755 3.149 -3.567 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -0.070 4.224 -5.418 1.00 0.00 H new ATOM 0 HH12 ARG A 74 0.910 5.088 -6.606 1.00 0.00 H new ATOM 0 HH21 ARG A 74 3.970 4.238 -5.101 1.00 0.00 H new ATOM 0 HH22 ARG A 74 3.178 5.096 -6.426 1.00 0.00 H new ATOM 1201 N ILE A 75 3.216 -1.572 -0.385 1.00 0.00 N ATOM 1202 CA ILE A 75 4.254 -2.569 -0.183 1.00 0.00 C ATOM 1203 C ILE A 75 4.781 -3.052 -1.556 1.00 0.00 C ATOM 1204 O ILE A 75 4.232 -3.973 -2.150 1.00 0.00 O ATOM 1205 CB ILE A 75 3.644 -3.773 0.636 1.00 0.00 C ATOM 1206 CG1 ILE A 75 2.780 -3.274 1.842 1.00 0.00 C ATOM 1207 CG2 ILE A 75 4.737 -4.726 1.116 1.00 0.00 C ATOM 1208 CD1 ILE A 75 3.511 -2.456 2.885 1.00 0.00 C ATOM 0 H ILE A 75 2.279 -1.972 -0.425 1.00 0.00 H new ATOM 0 HA ILE A 75 5.088 -2.142 0.374 1.00 0.00 H new ATOM 0 HB ILE A 75 2.987 -4.320 -0.040 1.00 0.00 H new ATOM 0 HG12 ILE A 75 1.956 -2.676 1.451 1.00 0.00 H new ATOM 0 HG13 ILE A 75 2.339 -4.142 2.332 1.00 0.00 H new ATOM 0 HG21 ILE A 75 4.286 -5.544 1.677 1.00 0.00 H new ATOM 0 HG22 ILE A 75 5.273 -5.128 0.256 1.00 0.00 H new ATOM 0 HG23 ILE A 75 5.433 -4.187 1.758 1.00 0.00 H new ATOM 0 HD11 ILE A 75 2.815 -2.165 3.672 1.00 0.00 H new ATOM 0 HD12 ILE A 75 4.317 -3.051 3.315 1.00 0.00 H new ATOM 0 HD13 ILE A 75 3.928 -1.562 2.420 1.00 0.00 H new ATOM 1220 N LYS A 76 5.831 -2.396 -2.070 1.00 0.00 N ATOM 1221 CA LYS A 76 6.398 -2.732 -3.398 1.00 0.00 C ATOM 1222 C LYS A 76 7.505 -3.769 -3.228 1.00 0.00 C ATOM 1223 O LYS A 76 8.487 -3.495 -2.553 1.00 0.00 O ATOM 1224 CB LYS A 76 6.965 -1.476 -4.114 1.00 0.00 C ATOM 1225 CG LYS A 76 7.519 -1.775 -5.536 1.00 0.00 C ATOM 1226 CD LYS A 76 8.116 -0.551 -6.255 1.00 0.00 C ATOM 1227 CE LYS A 76 9.358 0.012 -5.543 1.00 0.00 C ATOM 1228 NZ LYS A 76 10.028 1.042 -6.359 1.00 0.00 N ATOM 0 H LYS A 76 6.309 -1.631 -1.593 1.00 0.00 H new ATOM 0 HA LYS A 76 5.596 -3.135 -4.017 1.00 0.00 H new ATOM 0 HB2 LYS A 76 6.180 -0.724 -4.189 1.00 0.00 H new ATOM 0 HB3 LYS A 76 7.761 -1.047 -3.505 1.00 0.00 H new ATOM 0 HG2 LYS A 76 8.286 -2.546 -5.460 1.00 0.00 H new ATOM 0 HG3 LYS A 76 6.715 -2.184 -6.148 1.00 0.00 H new ATOM 0 HD2 LYS A 76 8.382 -0.829 -7.275 1.00 0.00 H new ATOM 0 HD3 LYS A 76 7.358 0.229 -6.325 1.00 0.00 H new ATOM 0 HE2 LYS A 76 9.066 0.439 -4.584 1.00 0.00 H new ATOM 0 HE3 LYS A 76 10.056 -0.798 -5.332 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 10.861 1.401 -5.850 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 10.328 0.627 -7.264 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 9.368 1.826 -6.539 1.00 0.00 H new ATOM 1242 N VAL A 77 7.358 -4.946 -3.852 1.00 0.00 N ATOM 1243 CA VAL A 77 8.363 -6.019 -3.748 1.00 0.00 C ATOM 1244 C VAL A 77 9.632 -5.636 -4.535 1.00 0.00 C ATOM 1245 O VAL A 77 9.569 -5.341 -5.732 1.00 0.00 O ATOM 1246 CB VAL A 77 7.790 -7.398 -4.241 1.00 0.00 C ATOM 1247 CG1 VAL A 77 8.856 -8.525 -4.204 1.00 0.00 C ATOM 1248 CG2 VAL A 77 6.556 -7.800 -3.407 1.00 0.00 C ATOM 0 H VAL A 77 6.554 -5.181 -4.434 1.00 0.00 H new ATOM 0 HA VAL A 77 8.625 -6.136 -2.697 1.00 0.00 H new ATOM 0 HB VAL A 77 7.492 -7.268 -5.281 1.00 0.00 H new ATOM 0 HG11 VAL A 77 8.412 -9.457 -4.553 1.00 0.00 H new ATOM 0 HG12 VAL A 77 9.692 -8.257 -4.850 1.00 0.00 H new ATOM 0 HG13 VAL A 77 9.214 -8.654 -3.183 1.00 0.00 H new ATOM 0 HG21 VAL A 77 6.173 -8.757 -3.762 1.00 0.00 H new ATOM 0 HG22 VAL A 77 6.839 -7.889 -2.358 1.00 0.00 H new ATOM 0 HG23 VAL A 77 5.783 -7.039 -3.511 1.00 0.00 H new ATOM 1258 N SER A 78 10.763 -5.611 -3.821 1.00 0.00 N ATOM 1259 CA SER A 78 12.088 -5.315 -4.375 1.00 0.00 C ATOM 1260 C SER A 78 12.743 -6.605 -4.848 1.00 0.00 C ATOM 1261 O SER A 78 13.514 -6.629 -5.805 1.00 0.00 O ATOM 1262 CB SER A 78 12.955 -4.675 -3.268 1.00 0.00 C ATOM 1263 OG SER A 78 12.376 -3.468 -2.812 1.00 0.00 O ATOM 0 H SER A 78 10.782 -5.800 -2.819 1.00 0.00 H new ATOM 0 HA SER A 78 11.993 -4.631 -5.219 1.00 0.00 H new ATOM 0 HB2 SER A 78 13.061 -5.370 -2.435 1.00 0.00 H new ATOM 0 HB3 SER A 78 13.957 -4.481 -3.651 1.00 0.00 H new ATOM 0 HG SER A 78 13.083 -2.860 -2.510 1.00 0.00 H new ATOM 1269 N THR A 79 12.386 -7.680 -4.157 1.00 0.00 N ATOM 1270 CA THR A 79 13.084 -8.944 -4.201 1.00 0.00 C ATOM 1271 C THR A 79 12.047 -10.061 -4.109 1.00 0.00 C ATOM 1272 O THR A 79 11.393 -10.179 -3.078 1.00 0.00 O ATOM 1273 CB THR A 79 14.076 -9.001 -2.992 1.00 0.00 C ATOM 1274 OG1 THR A 79 14.962 -7.869 -3.012 1.00 0.00 O ATOM 1275 CG2 THR A 79 14.898 -10.273 -2.968 1.00 0.00 C ATOM 0 H THR A 79 11.578 -7.689 -3.534 1.00 0.00 H new ATOM 0 HA THR A 79 13.650 -9.059 -5.126 1.00 0.00 H new ATOM 0 HB THR A 79 13.462 -8.982 -2.091 1.00 0.00 H new ATOM 0 HG1 THR A 79 15.820 -8.118 -2.608 1.00 0.00 H new ATOM 0 HG21 THR A 79 15.568 -10.257 -2.108 1.00 0.00 H new ATOM 0 HG22 THR A 79 14.234 -11.134 -2.895 1.00 0.00 H new ATOM 0 HG23 THR A 79 15.485 -10.344 -3.884 1.00 0.00 H new ATOM 1283 N GLY A 80 11.836 -10.815 -5.203 1.00 0.00 N ATOM 1284 CA GLY A 80 10.864 -11.919 -5.200 1.00 0.00 C ATOM 1285 C GLY A 80 10.239 -12.188 -6.560 1.00 0.00 C ATOM 1286 O GLY A 80 10.691 -11.631 -7.564 1.00 0.00 O ATOM 0 H GLY A 80 12.321 -10.681 -6.091 1.00 0.00 H new ATOM 0 HA2 GLY A 80 11.359 -12.826 -4.852 1.00 0.00 H new ATOM 0 HA3 GLY A 80 10.073 -11.693 -4.485 1.00 0.00 H new ATOM 1290 N PRO A 81 9.174 -13.053 -6.624 1.00 0.00 N ATOM 1291 CA PRO A 81 8.450 -13.347 -7.887 1.00 0.00 C ATOM 1292 C PRO A 81 7.638 -12.125 -8.380 1.00 0.00 C ATOM 1293 O PRO A 81 7.448 -11.931 -9.585 1.00 0.00 O ATOM 1294 CB PRO A 81 7.531 -14.543 -7.503 1.00 0.00 C ATOM 1295 CG PRO A 81 7.315 -14.394 -6.020 1.00 0.00 C ATOM 1296 CD PRO A 81 8.607 -13.820 -5.472 1.00 0.00 C ATOM 0 HA PRO A 81 9.118 -13.580 -8.716 1.00 0.00 H new ATOM 0 HB2 PRO A 81 6.587 -14.508 -8.047 1.00 0.00 H new ATOM 0 HB3 PRO A 81 8.001 -15.497 -7.741 1.00 0.00 H new ATOM 0 HG2 PRO A 81 6.474 -13.733 -5.811 1.00 0.00 H new ATOM 0 HG3 PRO A 81 7.087 -15.355 -5.559 1.00 0.00 H new ATOM 0 HD2 PRO A 81 8.425 -13.175 -4.613 1.00 0.00 H new ATOM 0 HD3 PRO A 81 9.286 -14.606 -5.142 1.00 0.00 H new ATOM 1304 N LEU A 82 7.200 -11.286 -7.422 1.00 0.00 N ATOM 1305 CA LEU A 82 6.438 -10.055 -7.700 1.00 0.00 C ATOM 1306 C LEU A 82 7.361 -8.818 -7.688 1.00 0.00 C ATOM 1307 O LEU A 82 6.886 -7.690 -7.512 1.00 0.00 O ATOM 1308 CB LEU A 82 5.300 -9.895 -6.660 1.00 0.00 C ATOM 1309 CG LEU A 82 4.252 -11.049 -6.605 1.00 0.00 C ATOM 1310 CD1 LEU A 82 3.170 -10.743 -5.553 1.00 0.00 C ATOM 1311 CD2 LEU A 82 3.623 -11.329 -7.994 1.00 0.00 C ATOM 0 H LEU A 82 7.366 -11.445 -6.428 1.00 0.00 H new ATOM 0 HA LEU A 82 6.001 -10.135 -8.695 1.00 0.00 H new ATOM 0 HB2 LEU A 82 5.750 -9.793 -5.672 1.00 0.00 H new ATOM 0 HB3 LEU A 82 4.774 -8.963 -6.868 1.00 0.00 H new ATOM 0 HG LEU A 82 4.775 -11.958 -6.308 1.00 0.00 H new ATOM 0 HD11 LEU A 82 2.447 -11.558 -5.527 1.00 0.00 H new ATOM 0 HD12 LEU A 82 3.635 -10.639 -4.573 1.00 0.00 H new ATOM 0 HD13 LEU A 82 2.662 -9.815 -5.813 1.00 0.00 H new ATOM 0 HD21 LEU A 82 2.899 -12.140 -7.909 1.00 0.00 H new ATOM 0 HD22 LEU A 82 3.121 -10.431 -8.354 1.00 0.00 H new ATOM 0 HD23 LEU A 82 4.406 -11.614 -8.697 1.00 0.00 H new ATOM 1323 N ALA A 83 8.679 -9.035 -7.899 1.00 0.00 N ATOM 1324 CA ALA A 83 9.675 -7.947 -7.949 1.00 0.00 C ATOM 1325 C ALA A 83 9.343 -6.954 -9.085 1.00 0.00 C ATOM 1326 O ALA A 83 9.169 -7.360 -10.243 1.00 0.00 O ATOM 1327 CB ALA A 83 11.093 -8.518 -8.106 1.00 0.00 C ATOM 0 H ALA A 83 9.077 -9.964 -8.038 1.00 0.00 H new ATOM 0 HA ALA A 83 9.636 -7.401 -7.007 1.00 0.00 H new ATOM 0 HB1 ALA A 83 11.813 -7.700 -8.141 1.00 0.00 H new ATOM 0 HB2 ALA A 83 11.320 -9.166 -7.259 1.00 0.00 H new ATOM 0 HB3 ALA A 83 11.153 -9.094 -9.030 1.00 0.00 H new ATOM 1333 N GLY A 84 9.208 -5.670 -8.726 1.00 0.00 N ATOM 1334 CA GLY A 84 8.849 -4.614 -9.681 1.00 0.00 C ATOM 1335 C GLY A 84 7.411 -4.128 -9.524 1.00 0.00 C ATOM 1336 O GLY A 84 7.084 -3.026 -9.962 1.00 0.00 O ATOM 0 H GLY A 84 9.344 -5.336 -7.772 1.00 0.00 H new ATOM 0 HA2 GLY A 84 9.527 -3.770 -9.553 1.00 0.00 H new ATOM 0 HA3 GLY A 84 8.992 -4.986 -10.696 1.00 0.00 H new ATOM 1340 N ARG A 85 6.555 -4.960 -8.901 1.00 0.00 N ATOM 1341 CA ARG A 85 5.125 -4.641 -8.674 1.00 0.00 C ATOM 1342 C ARG A 85 4.938 -3.899 -7.343 1.00 0.00 C ATOM 1343 O ARG A 85 5.616 -4.213 -6.359 1.00 0.00 O ATOM 1344 CB ARG A 85 4.266 -5.935 -8.665 1.00 0.00 C ATOM 1345 CG ARG A 85 4.275 -6.711 -9.996 1.00 0.00 C ATOM 1346 CD ARG A 85 3.454 -8.008 -9.921 1.00 0.00 C ATOM 1347 NE ARG A 85 3.294 -8.655 -11.242 1.00 0.00 N ATOM 1348 CZ ARG A 85 2.235 -9.380 -11.626 1.00 0.00 C ATOM 1349 NH1 ARG A 85 1.239 -9.628 -10.782 1.00 0.00 N ATOM 1350 NH2 ARG A 85 2.183 -9.852 -12.867 1.00 0.00 N ATOM 0 H ARG A 85 6.831 -5.873 -8.539 1.00 0.00 H new ATOM 0 HA ARG A 85 4.796 -3.999 -9.491 1.00 0.00 H new ATOM 0 HB2 ARG A 85 4.627 -6.591 -7.873 1.00 0.00 H new ATOM 0 HB3 ARG A 85 3.237 -5.673 -8.418 1.00 0.00 H new ATOM 0 HG2 ARG A 85 3.875 -6.076 -10.787 1.00 0.00 H new ATOM 0 HG3 ARG A 85 5.303 -6.950 -10.268 1.00 0.00 H new ATOM 0 HD2 ARG A 85 3.940 -8.703 -9.236 1.00 0.00 H new ATOM 0 HD3 ARG A 85 2.470 -7.788 -9.506 1.00 0.00 H new ATOM 0 HE ARG A 85 4.052 -8.540 -11.915 1.00 0.00 H new ATOM 0 HH11 ARG A 85 1.275 -9.265 -9.829 1.00 0.00 H new ATOM 0 HH12 ARG A 85 0.438 -10.181 -11.087 1.00 0.00 H new ATOM 0 HH21 ARG A 85 2.945 -9.661 -13.518 1.00 0.00 H new ATOM 0 HH22 ARG A 85 1.381 -10.405 -13.169 1.00 0.00 H new ATOM 1364 N VAL A 86 4.000 -2.934 -7.324 1.00 0.00 N ATOM 1365 CA VAL A 86 3.665 -2.139 -6.127 1.00 0.00 C ATOM 1366 C VAL A 86 2.302 -2.607 -5.559 1.00 0.00 C ATOM 1367 O VAL A 86 1.224 -2.309 -6.097 1.00 0.00 O ATOM 1368 CB VAL A 86 3.715 -0.580 -6.410 1.00 0.00 C ATOM 1369 CG1 VAL A 86 2.804 -0.158 -7.584 1.00 0.00 C ATOM 1370 CG2 VAL A 86 3.411 0.236 -5.129 1.00 0.00 C ATOM 0 H VAL A 86 3.449 -2.682 -8.145 1.00 0.00 H new ATOM 0 HA VAL A 86 4.425 -2.313 -5.365 1.00 0.00 H new ATOM 0 HB VAL A 86 4.736 -0.351 -6.717 1.00 0.00 H new ATOM 0 HG11 VAL A 86 2.878 0.919 -7.733 1.00 0.00 H new ATOM 0 HG12 VAL A 86 3.119 -0.672 -8.492 1.00 0.00 H new ATOM 0 HG13 VAL A 86 1.771 -0.423 -7.357 1.00 0.00 H new ATOM 0 HG21 VAL A 86 3.453 1.301 -5.357 1.00 0.00 H new ATOM 0 HG22 VAL A 86 2.416 -0.018 -4.764 1.00 0.00 H new ATOM 0 HG23 VAL A 86 4.150 -0.000 -4.363 1.00 0.00 H new ATOM 1380 N LEU A 87 2.392 -3.425 -4.506 1.00 0.00 N ATOM 1381 CA LEU A 87 1.238 -4.050 -3.854 1.00 0.00 C ATOM 1382 C LEU A 87 0.612 -3.074 -2.850 1.00 0.00 C ATOM 1383 O LEU A 87 1.222 -2.722 -1.853 1.00 0.00 O ATOM 1384 CB LEU A 87 1.638 -5.385 -3.155 1.00 0.00 C ATOM 1385 CG LEU A 87 2.233 -6.514 -4.059 1.00 0.00 C ATOM 1386 CD1 LEU A 87 1.300 -6.830 -5.226 1.00 0.00 C ATOM 1387 CD2 LEU A 87 3.654 -6.205 -4.558 1.00 0.00 C ATOM 0 H LEU A 87 3.283 -3.675 -4.076 1.00 0.00 H new ATOM 0 HA LEU A 87 0.499 -4.290 -4.619 1.00 0.00 H new ATOM 0 HB2 LEU A 87 2.367 -5.155 -2.378 1.00 0.00 H new ATOM 0 HB3 LEU A 87 0.755 -5.783 -2.655 1.00 0.00 H new ATOM 0 HG LEU A 87 2.316 -7.399 -3.428 1.00 0.00 H new ATOM 0 HD11 LEU A 87 1.738 -7.618 -5.839 1.00 0.00 H new ATOM 0 HD12 LEU A 87 0.336 -7.163 -4.841 1.00 0.00 H new ATOM 0 HD13 LEU A 87 1.160 -5.935 -5.832 1.00 0.00 H new ATOM 0 HD21 LEU A 87 4.008 -7.028 -5.179 1.00 0.00 H new ATOM 0 HD22 LEU A 87 3.642 -5.286 -5.144 1.00 0.00 H new ATOM 0 HD23 LEU A 87 4.321 -6.082 -3.704 1.00 0.00 H new ATOM 1399 N ASN A 88 -0.604 -2.633 -3.145 1.00 0.00 N ATOM 1400 CA ASN A 88 -1.350 -1.673 -2.320 1.00 0.00 C ATOM 1401 C ASN A 88 -2.062 -2.429 -1.190 1.00 0.00 C ATOM 1402 O ASN A 88 -2.633 -3.496 -1.441 1.00 0.00 O ATOM 1403 CB ASN A 88 -2.394 -0.913 -3.192 1.00 0.00 C ATOM 1404 CG ASN A 88 -1.803 -0.015 -4.292 1.00 0.00 C ATOM 1405 OD1 ASN A 88 -0.726 -0.439 -4.953 1.00 0.00 O flip ATOM 1406 ND2 ASN A 88 -2.342 1.053 -4.576 1.00 0.00 N flip ATOM 0 H ASN A 88 -1.114 -2.933 -3.976 1.00 0.00 H new ATOM 0 HA ASN A 88 -0.658 -0.946 -1.895 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -3.054 -1.644 -3.659 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -3.011 -0.298 -2.537 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -3.166 1.362 -4.060 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -1.966 1.630 -5.328 1.00 0.00 H new ATOM 1413 N ILE A 89 -2.078 -1.856 0.037 1.00 0.00 N ATOM 1414 CA ILE A 89 -2.667 -2.529 1.209 1.00 0.00 C ATOM 1415 C ILE A 89 -4.188 -2.386 1.138 1.00 0.00 C ATOM 1416 O ILE A 89 -4.726 -1.289 1.313 1.00 0.00 O ATOM 1417 CB ILE A 89 -2.146 -1.949 2.585 1.00 0.00 C ATOM 1418 CG1 ILE A 89 -0.595 -2.062 2.676 1.00 0.00 C ATOM 1419 CG2 ILE A 89 -2.827 -2.657 3.798 1.00 0.00 C ATOM 1420 CD1 ILE A 89 0.012 -1.501 3.961 1.00 0.00 C ATOM 0 H ILE A 89 -1.691 -0.934 0.236 1.00 0.00 H new ATOM 0 HA ILE A 89 -2.364 -3.575 1.176 1.00 0.00 H new ATOM 0 HB ILE A 89 -2.418 -0.894 2.626 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -0.315 -3.112 2.586 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -0.156 -1.541 1.825 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -2.446 -2.234 4.727 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -3.906 -2.508 3.747 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -2.606 -3.724 3.768 1.00 0.00 H new ATOM 0 HD11 ILE A 89 1.095 -1.623 3.935 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -0.232 -0.442 4.047 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -0.393 -2.037 4.819 1.00 0.00 H new ATOM 1432 N ILE A 90 -4.866 -3.496 0.842 1.00 0.00 N ATOM 1433 CA ILE A 90 -6.337 -3.552 0.749 1.00 0.00 C ATOM 1434 C ILE A 90 -6.939 -3.953 2.108 1.00 0.00 C ATOM 1435 O ILE A 90 -7.600 -4.986 2.255 1.00 0.00 O ATOM 1436 CB ILE A 90 -6.802 -4.510 -0.419 1.00 0.00 C ATOM 1437 CG1 ILE A 90 -6.069 -5.899 -0.352 1.00 0.00 C ATOM 1438 CG2 ILE A 90 -6.582 -3.817 -1.791 1.00 0.00 C ATOM 1439 CD1 ILE A 90 -6.596 -6.960 -1.303 1.00 0.00 C ATOM 0 H ILE A 90 -4.412 -4.391 0.658 1.00 0.00 H new ATOM 0 HA ILE A 90 -6.711 -2.559 0.501 1.00 0.00 H new ATOM 0 HB ILE A 90 -7.867 -4.709 -0.299 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -5.010 -5.743 -0.560 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -6.141 -6.280 0.667 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -6.905 -4.483 -2.591 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -7.162 -2.895 -1.830 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -5.524 -3.585 -1.916 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -6.023 -7.879 -1.177 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -7.646 -7.155 -1.085 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -6.498 -6.609 -2.330 1.00 0.00 H new ATOM 1451 N GLY A 91 -6.680 -3.098 3.104 1.00 0.00 N ATOM 1452 CA GLY A 91 -7.143 -3.297 4.467 1.00 0.00 C ATOM 1453 C GLY A 91 -6.282 -2.511 5.439 1.00 0.00 C ATOM 1454 O GLY A 91 -6.130 -1.294 5.288 1.00 0.00 O ATOM 0 H GLY A 91 -6.138 -2.243 2.977 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -8.182 -2.981 4.554 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -7.110 -4.357 4.718 1.00 0.00 H new ATOM 1458 N GLN A 92 -5.675 -3.217 6.397 1.00 0.00 N ATOM 1459 CA GLN A 92 -4.817 -2.626 7.435 1.00 0.00 C ATOM 1460 C GLN A 92 -3.761 -3.661 7.867 1.00 0.00 C ATOM 1461 O GLN A 92 -4.079 -4.854 7.924 1.00 0.00 O ATOM 1462 CB GLN A 92 -5.681 -2.174 8.652 1.00 0.00 C ATOM 1463 CG GLN A 92 -6.547 -3.298 9.272 1.00 0.00 C ATOM 1464 CD GLN A 92 -7.387 -2.876 10.484 1.00 0.00 C ATOM 1465 OE1 GLN A 92 -7.649 -3.683 11.374 1.00 0.00 O ATOM 1466 NE2 GLN A 92 -7.840 -1.628 10.520 1.00 0.00 N ATOM 0 H GLN A 92 -5.765 -4.230 6.477 1.00 0.00 H new ATOM 0 HA GLN A 92 -4.310 -1.747 7.037 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -5.022 -1.773 9.422 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -6.334 -1.360 8.337 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -7.215 -3.687 8.504 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -5.893 -4.117 9.570 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -7.607 -0.979 9.768 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -8.421 -1.318 11.299 1.00 0.00 H new ATOM 1475 N PRO A 93 -2.496 -3.232 8.183 1.00 0.00 N ATOM 1476 CA PRO A 93 -1.438 -4.153 8.668 1.00 0.00 C ATOM 1477 C PRO A 93 -1.883 -4.848 9.980 1.00 0.00 C ATOM 1478 O PRO A 93 -2.035 -4.202 11.025 1.00 0.00 O ATOM 1479 CB PRO A 93 -0.211 -3.217 8.866 1.00 0.00 C ATOM 1480 CG PRO A 93 -0.792 -1.852 9.009 1.00 0.00 C ATOM 1481 CD PRO A 93 -2.001 -1.834 8.108 1.00 0.00 C ATOM 0 HA PRO A 93 -1.214 -4.971 7.984 1.00 0.00 H new ATOM 0 HB2 PRO A 93 0.362 -3.498 9.750 1.00 0.00 H new ATOM 0 HB3 PRO A 93 0.469 -3.270 8.015 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -1.070 -1.650 10.043 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -0.073 -1.087 8.717 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -2.751 -1.122 8.453 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -1.740 -1.553 7.088 1.00 0.00 H new ATOM 1489 N LEU A 94 -2.109 -6.164 9.887 1.00 0.00 N ATOM 1490 CA LEU A 94 -2.778 -6.964 10.929 1.00 0.00 C ATOM 1491 C LEU A 94 -1.782 -8.029 11.460 1.00 0.00 C ATOM 1492 O LEU A 94 -1.372 -8.895 10.697 1.00 0.00 O ATOM 1493 CB LEU A 94 -4.074 -7.627 10.309 1.00 0.00 C ATOM 1494 CG LEU A 94 -5.294 -7.895 11.259 1.00 0.00 C ATOM 1495 CD1 LEU A 94 -4.983 -8.949 12.336 1.00 0.00 C ATOM 1496 CD2 LEU A 94 -5.809 -6.578 11.882 1.00 0.00 C ATOM 0 H LEU A 94 -1.829 -6.714 9.075 1.00 0.00 H new ATOM 0 HA LEU A 94 -3.085 -6.340 11.768 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -4.419 -6.988 9.496 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -3.782 -8.579 9.865 1.00 0.00 H new ATOM 0 HG LEU A 94 -6.092 -8.312 10.645 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -5.861 -9.096 12.965 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -4.718 -9.892 11.857 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -4.149 -8.607 12.950 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -6.654 -6.791 12.536 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -5.011 -6.113 12.460 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -6.125 -5.900 11.089 1.00 0.00 H new ATOM 1508 N PRO A 95 -1.391 -8.004 12.780 1.00 0.00 N ATOM 1509 CA PRO A 95 -0.503 -9.044 13.374 1.00 0.00 C ATOM 1510 C PRO A 95 -1.162 -10.444 13.386 1.00 0.00 C ATOM 1511 O PRO A 95 -2.389 -10.569 13.307 1.00 0.00 O ATOM 1512 CB PRO A 95 -0.245 -8.518 14.809 1.00 0.00 C ATOM 1513 CG PRO A 95 -1.422 -7.637 15.110 1.00 0.00 C ATOM 1514 CD PRO A 95 -1.777 -6.980 13.790 1.00 0.00 C ATOM 0 HA PRO A 95 0.413 -9.186 12.801 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -0.171 -9.338 15.524 1.00 0.00 H new ATOM 0 HB3 PRO A 95 0.691 -7.961 14.864 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -2.259 -8.218 15.498 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -1.173 -6.892 15.866 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -2.839 -6.740 13.733 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -1.231 -6.048 13.646 1.00 0.00 H new ATOM 1522 N ASP A 96 -0.332 -11.492 13.472 1.00 0.00 N ATOM 1523 CA ASP A 96 -0.808 -12.894 13.488 1.00 0.00 C ATOM 1524 C ASP A 96 -1.332 -13.280 14.894 1.00 0.00 C ATOM 1525 O ASP A 96 -1.367 -12.442 15.802 1.00 0.00 O ATOM 1526 CB ASP A 96 0.332 -13.843 13.071 1.00 0.00 C ATOM 1527 CG ASP A 96 1.422 -13.959 14.141 1.00 0.00 C ATOM 1528 OD1 ASP A 96 2.042 -12.936 14.459 1.00 0.00 O ATOM 1529 OD2 ASP A 96 1.641 -15.060 14.679 1.00 0.00 O ATOM 0 H ASP A 96 0.682 -11.400 13.532 1.00 0.00 H new ATOM 0 HA ASP A 96 -1.629 -12.987 12.777 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -0.079 -14.832 12.868 1.00 0.00 H new ATOM 0 HB3 ASP A 96 0.776 -13.485 12.142 1.00 0.00 H new ATOM 1534 N ALA A 97 -1.688 -14.568 15.066 1.00 0.00 N ATOM 1535 CA ALA A 97 -2.205 -15.106 16.337 1.00 0.00 C ATOM 1536 C ALA A 97 -1.118 -15.122 17.435 1.00 0.00 C ATOM 1537 O ALA A 97 -1.351 -14.652 18.556 1.00 0.00 O ATOM 1538 CB ALA A 97 -2.777 -16.515 16.111 1.00 0.00 C ATOM 0 H ALA A 97 -1.624 -15.266 14.325 1.00 0.00 H new ATOM 0 HA ALA A 97 -3.002 -14.450 16.686 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -3.158 -16.909 17.053 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -3.588 -16.466 15.384 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -1.991 -17.171 15.735 1.00 0.00 H new ATOM 1544 N ALA A 98 0.075 -15.641 17.086 1.00 0.00 N ATOM 1545 CA ALA A 98 1.202 -15.824 18.037 1.00 0.00 C ATOM 1546 C ALA A 98 1.983 -14.511 18.303 1.00 0.00 C ATOM 1547 O ALA A 98 2.882 -14.491 19.162 1.00 0.00 O ATOM 1548 CB ALA A 98 2.154 -16.916 17.503 1.00 0.00 C ATOM 0 H ALA A 98 0.290 -15.947 16.137 1.00 0.00 H new ATOM 0 HA ALA A 98 0.778 -16.132 18.992 1.00 0.00 H new ATOM 0 HB1 ALA A 98 2.981 -17.051 18.200 1.00 0.00 H new ATOM 0 HB2 ALA A 98 1.610 -17.855 17.400 1.00 0.00 H new ATOM 0 HB3 ALA A 98 2.544 -16.615 16.531 1.00 0.00 H new ATOM 1554 N ARG A 99 1.655 -13.442 17.528 1.00 0.00 N ATOM 1555 CA ARG A 99 2.259 -12.081 17.647 1.00 0.00 C ATOM 1556 C ARG A 99 3.731 -12.069 17.138 1.00 0.00 C ATOM 1557 O ARG A 99 4.462 -11.091 17.333 1.00 0.00 O ATOM 1558 CB ARG A 99 2.148 -11.527 19.113 1.00 0.00 C ATOM 1559 CG ARG A 99 1.979 -9.992 19.230 1.00 0.00 C ATOM 1560 CD ARG A 99 0.598 -9.513 18.744 1.00 0.00 C ATOM 1561 NE ARG A 99 0.423 -8.058 18.925 1.00 0.00 N ATOM 1562 CZ ARG A 99 -0.739 -7.393 18.850 1.00 0.00 C ATOM 1563 NH1 ARG A 99 -1.880 -8.030 18.641 1.00 0.00 N ATOM 1564 NH2 ARG A 99 -0.742 -6.079 19.004 1.00 0.00 N ATOM 0 H ARG A 99 0.953 -13.500 16.791 1.00 0.00 H new ATOM 0 HA ARG A 99 1.687 -11.410 17.006 1.00 0.00 H new ATOM 0 HB2 ARG A 99 1.301 -12.007 19.602 1.00 0.00 H new ATOM 0 HB3 ARG A 99 3.042 -11.820 19.663 1.00 0.00 H new ATOM 0 HG2 ARG A 99 2.119 -9.692 20.268 1.00 0.00 H new ATOM 0 HG3 ARG A 99 2.757 -9.498 18.648 1.00 0.00 H new ATOM 0 HD2 ARG A 99 0.477 -9.765 17.690 1.00 0.00 H new ATOM 0 HD3 ARG A 99 -0.183 -10.043 19.290 1.00 0.00 H new ATOM 0 HE ARG A 99 1.260 -7.510 19.125 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -1.886 -9.044 18.534 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -2.754 -7.507 18.587 1.00 0.00 H new ATOM 0 HH21 ARG A 99 0.133 -5.584 19.177 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -1.619 -5.561 18.949 1.00 0.00 H new ATOM 1578 N THR A 100 4.116 -13.142 16.419 1.00 0.00 N ATOM 1579 CA THR A 100 5.500 -13.382 15.955 1.00 0.00 C ATOM 1580 C THR A 100 5.803 -12.662 14.614 1.00 0.00 C ATOM 1581 O THR A 100 6.932 -12.726 14.110 1.00 0.00 O ATOM 1582 CB THR A 100 5.758 -14.927 15.808 1.00 0.00 C ATOM 1583 OG1 THR A 100 7.146 -15.202 15.529 1.00 0.00 O ATOM 1584 CG2 THR A 100 4.895 -15.562 14.702 1.00 0.00 C ATOM 0 H THR A 100 3.467 -13.877 16.140 1.00 0.00 H new ATOM 0 HA THR A 100 6.172 -12.967 16.706 1.00 0.00 H new ATOM 0 HB THR A 100 5.480 -15.370 16.764 1.00 0.00 H new ATOM 0 HG1 THR A 100 7.522 -14.475 14.990 1.00 0.00 H new ATOM 0 HG21 THR A 100 5.110 -16.629 14.640 1.00 0.00 H new ATOM 0 HG22 THR A 100 3.840 -15.417 14.935 1.00 0.00 H new ATOM 0 HG23 THR A 100 5.123 -15.090 13.746 1.00 0.00 H new ATOM 1592 N ARG A 101 4.797 -11.974 14.056 1.00 0.00 N ATOM 1593 CA ARG A 101 4.900 -11.305 12.750 1.00 0.00 C ATOM 1594 C ARG A 101 3.764 -10.288 12.587 1.00 0.00 C ATOM 1595 O ARG A 101 2.743 -10.327 13.295 1.00 0.00 O ATOM 1596 CB ARG A 101 4.863 -12.332 11.564 1.00 0.00 C ATOM 1597 CG ARG A 101 3.689 -13.334 11.629 1.00 0.00 C ATOM 1598 CD ARG A 101 3.243 -13.912 10.279 1.00 0.00 C ATOM 1599 NE ARG A 101 2.186 -14.926 10.452 1.00 0.00 N ATOM 1600 CZ ARG A 101 2.357 -16.155 10.985 1.00 0.00 C ATOM 1601 NH1 ARG A 101 3.557 -16.578 11.387 1.00 0.00 N ATOM 1602 NH2 ARG A 101 1.310 -16.952 11.110 1.00 0.00 N ATOM 0 H ARG A 101 3.885 -11.865 14.499 1.00 0.00 H new ATOM 0 HA ARG A 101 5.861 -10.791 12.720 1.00 0.00 H new ATOM 0 HB2 ARG A 101 4.805 -11.783 10.624 1.00 0.00 H new ATOM 0 HB3 ARG A 101 5.800 -12.888 11.551 1.00 0.00 H new ATOM 0 HG2 ARG A 101 3.973 -14.159 12.282 1.00 0.00 H new ATOM 0 HG3 ARG A 101 2.836 -12.839 12.093 1.00 0.00 H new ATOM 0 HD2 ARG A 101 2.877 -13.108 9.640 1.00 0.00 H new ATOM 0 HD3 ARG A 101 4.098 -14.358 9.772 1.00 0.00 H new ATOM 0 HE ARG A 101 1.246 -14.678 10.143 1.00 0.00 H new ATOM 0 HH11 ARG A 101 4.370 -15.969 11.295 1.00 0.00 H new ATOM 0 HH12 ARG A 101 3.661 -17.511 11.787 1.00 0.00 H new ATOM 0 HH21 ARG A 101 0.389 -16.636 10.806 1.00 0.00 H new ATOM 0 HH22 ARG A 101 1.423 -17.883 11.511 1.00 0.00 H new ATOM 1616 N LEU A 102 3.973 -9.370 11.648 1.00 0.00 N ATOM 1617 CA LEU A 102 2.961 -8.437 11.171 1.00 0.00 C ATOM 1618 C LEU A 102 2.534 -8.931 9.775 1.00 0.00 C ATOM 1619 O LEU A 102 3.320 -8.878 8.823 1.00 0.00 O ATOM 1620 CB LEU A 102 3.560 -6.985 11.124 1.00 0.00 C ATOM 1621 CG LEU A 102 2.628 -5.824 11.583 1.00 0.00 C ATOM 1622 CD1 LEU A 102 1.309 -5.831 10.816 1.00 0.00 C ATOM 1623 CD2 LEU A 102 2.395 -5.845 13.110 1.00 0.00 C ATOM 0 H LEU A 102 4.875 -9.253 11.187 1.00 0.00 H new ATOM 0 HA LEU A 102 2.094 -8.397 11.831 1.00 0.00 H new ATOM 0 HB2 LEU A 102 4.456 -6.967 11.745 1.00 0.00 H new ATOM 0 HB3 LEU A 102 3.877 -6.782 10.101 1.00 0.00 H new ATOM 0 HG LEU A 102 3.138 -4.890 11.349 1.00 0.00 H new ATOM 0 HD11 LEU A 102 0.683 -5.008 11.161 1.00 0.00 H new ATOM 0 HD12 LEU A 102 1.507 -5.714 9.751 1.00 0.00 H new ATOM 0 HD13 LEU A 102 0.793 -6.776 10.988 1.00 0.00 H new ATOM 0 HD21 LEU A 102 1.740 -5.020 13.390 1.00 0.00 H new ATOM 0 HD22 LEU A 102 1.930 -6.789 13.394 1.00 0.00 H new ATOM 0 HD23 LEU A 102 3.350 -5.741 13.625 1.00 0.00 H new ATOM 1635 N GLU A 103 1.305 -9.459 9.673 1.00 0.00 N ATOM 1636 CA GLU A 103 0.791 -10.016 8.417 1.00 0.00 C ATOM 1637 C GLU A 103 0.068 -8.919 7.623 1.00 0.00 C ATOM 1638 O GLU A 103 -1.003 -8.437 8.015 1.00 0.00 O ATOM 1639 CB GLU A 103 -0.152 -11.220 8.680 1.00 0.00 C ATOM 1640 CG GLU A 103 -0.578 -11.970 7.400 1.00 0.00 C ATOM 1641 CD GLU A 103 -1.488 -13.176 7.681 1.00 0.00 C ATOM 1642 OE1 GLU A 103 -2.663 -12.967 8.046 1.00 0.00 O ATOM 1643 OE2 GLU A 103 -1.034 -14.336 7.544 1.00 0.00 O ATOM 0 H GLU A 103 0.647 -9.511 10.451 1.00 0.00 H new ATOM 0 HA GLU A 103 1.632 -10.384 7.830 1.00 0.00 H new ATOM 0 HB2 GLU A 103 0.346 -11.920 9.351 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -1.044 -10.865 9.195 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -1.097 -11.278 6.737 1.00 0.00 H new ATOM 0 HG3 GLU A 103 0.313 -12.310 6.872 1.00 0.00 H new ATOM 1650 N ILE A 104 0.692 -8.494 6.525 1.00 0.00 N ATOM 1651 CA ILE A 104 0.135 -7.484 5.617 1.00 0.00 C ATOM 1652 C ILE A 104 -0.737 -8.193 4.551 1.00 0.00 C ATOM 1653 O ILE A 104 -0.434 -9.322 4.145 1.00 0.00 O ATOM 1654 CB ILE A 104 1.280 -6.645 4.900 1.00 0.00 C ATOM 1655 CG1 ILE A 104 2.463 -6.303 5.876 1.00 0.00 C ATOM 1656 CG2 ILE A 104 0.698 -5.357 4.261 1.00 0.00 C ATOM 1657 CD1 ILE A 104 2.091 -5.446 7.065 1.00 0.00 C ATOM 0 H ILE A 104 1.606 -8.842 6.236 1.00 0.00 H new ATOM 0 HA ILE A 104 -0.468 -6.789 6.202 1.00 0.00 H new ATOM 0 HB ILE A 104 1.691 -7.270 4.107 1.00 0.00 H new ATOM 0 HG12 ILE A 104 2.892 -7.236 6.241 1.00 0.00 H new ATOM 0 HG13 ILE A 104 3.243 -5.793 5.311 1.00 0.00 H new ATOM 0 HG21 ILE A 104 1.498 -4.798 3.776 1.00 0.00 H new ATOM 0 HG22 ILE A 104 -0.056 -5.626 3.522 1.00 0.00 H new ATOM 0 HG23 ILE A 104 0.243 -4.740 5.036 1.00 0.00 H new ATOM 0 HD11 ILE A 104 2.976 -5.267 7.676 1.00 0.00 H new ATOM 0 HD12 ILE A 104 1.692 -4.493 6.716 1.00 0.00 H new ATOM 0 HD13 ILE A 104 1.336 -5.959 7.661 1.00 0.00 H new ATOM 1669 N LEU A 105 -1.825 -7.535 4.128 1.00 0.00 N ATOM 1670 CA LEU A 105 -2.699 -8.001 3.036 1.00 0.00 C ATOM 1671 C LEU A 105 -2.698 -6.919 1.949 1.00 0.00 C ATOM 1672 O LEU A 105 -2.850 -5.720 2.243 1.00 0.00 O ATOM 1673 CB LEU A 105 -4.154 -8.322 3.530 1.00 0.00 C ATOM 1674 CG LEU A 105 -5.022 -7.135 4.092 1.00 0.00 C ATOM 1675 CD1 LEU A 105 -6.493 -7.555 4.290 1.00 0.00 C ATOM 1676 CD2 LEU A 105 -4.445 -6.558 5.406 1.00 0.00 C ATOM 0 H LEU A 105 -2.129 -6.652 4.538 1.00 0.00 H new ATOM 0 HA LEU A 105 -2.316 -8.940 2.637 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -4.698 -8.769 2.698 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -4.082 -9.081 4.309 1.00 0.00 H new ATOM 0 HG LEU A 105 -4.987 -6.345 3.341 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -7.063 -6.711 4.679 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -6.914 -7.868 3.334 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -6.543 -8.383 4.997 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -5.078 -5.742 5.754 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -4.413 -7.341 6.164 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -3.437 -6.184 5.227 1.00 0.00 H new ATOM 1688 N CYS A 106 -2.518 -7.349 0.700 1.00 0.00 N ATOM 1689 CA CYS A 106 -2.265 -6.452 -0.433 1.00 0.00 C ATOM 1690 C CYS A 106 -2.732 -7.086 -1.753 1.00 0.00 C ATOM 1691 O CYS A 106 -3.212 -8.221 -1.781 1.00 0.00 O ATOM 1692 CB CYS A 106 -0.756 -6.096 -0.533 1.00 0.00 C ATOM 1693 SG CYS A 106 -0.032 -5.376 0.953 1.00 0.00 S ATOM 0 H CYS A 106 -2.543 -8.335 0.442 1.00 0.00 H new ATOM 0 HA CYS A 106 -2.834 -5.539 -0.260 1.00 0.00 H new ATOM 0 HB2 CYS A 106 -0.202 -7.001 -0.785 1.00 0.00 H new ATOM 0 HB3 CYS A 106 -0.619 -5.398 -1.359 1.00 0.00 H new ATOM 0 HG CYS A 106 0.434 -4.194 0.680 1.00 0.00 H new ATOM 1699 N ARG A 107 -2.621 -6.295 -2.825 1.00 0.00 N ATOM 1700 CA ARG A 107 -2.781 -6.739 -4.222 1.00 0.00 C ATOM 1701 C ARG A 107 -2.184 -5.666 -5.146 1.00 0.00 C ATOM 1702 O ARG A 107 -1.925 -4.546 -4.706 1.00 0.00 O ATOM 1703 CB ARG A 107 -4.275 -6.964 -4.585 1.00 0.00 C ATOM 1704 CG ARG A 107 -5.125 -5.670 -4.596 1.00 0.00 C ATOM 1705 CD ARG A 107 -6.589 -5.901 -4.993 1.00 0.00 C ATOM 1706 NE ARG A 107 -6.707 -6.450 -6.354 1.00 0.00 N ATOM 1707 CZ ARG A 107 -7.328 -7.588 -6.674 1.00 0.00 C ATOM 1708 NH1 ARG A 107 -7.817 -8.385 -5.728 1.00 0.00 N ATOM 1709 NH2 ARG A 107 -7.435 -7.936 -7.936 1.00 0.00 N ATOM 0 H ARG A 107 -2.412 -5.300 -2.748 1.00 0.00 H new ATOM 0 HA ARG A 107 -2.264 -7.690 -4.347 1.00 0.00 H new ATOM 0 HB2 ARG A 107 -4.332 -7.432 -5.568 1.00 0.00 H new ATOM 0 HB3 ARG A 107 -4.709 -7.665 -3.872 1.00 0.00 H new ATOM 0 HG2 ARG A 107 -5.093 -5.216 -3.606 1.00 0.00 H new ATOM 0 HG3 ARG A 107 -4.678 -4.957 -5.288 1.00 0.00 H new ATOM 0 HD2 ARG A 107 -7.054 -6.585 -4.284 1.00 0.00 H new ATOM 0 HD3 ARG A 107 -7.135 -4.959 -4.932 1.00 0.00 H new ATOM 0 HE ARG A 107 -6.280 -5.919 -7.113 1.00 0.00 H new ATOM 0 HH11 ARG A 107 -7.720 -8.129 -4.745 1.00 0.00 H new ATOM 0 HH12 ARG A 107 -8.289 -9.252 -5.985 1.00 0.00 H new ATOM 0 HH21 ARG A 107 -7.045 -7.338 -8.665 1.00 0.00 H new ATOM 0 HH22 ARG A 107 -7.908 -8.804 -8.187 1.00 0.00 H new ATOM 1723 N GLU A 108 -1.989 -6.011 -6.419 1.00 0.00 N ATOM 1724 CA GLU A 108 -1.559 -5.053 -7.442 1.00 0.00 C ATOM 1725 C GLU A 108 -2.734 -4.117 -7.796 1.00 0.00 C ATOM 1726 O GLU A 108 -3.908 -4.460 -7.596 1.00 0.00 O ATOM 1727 CB GLU A 108 -1.061 -5.768 -8.736 1.00 0.00 C ATOM 1728 CG GLU A 108 0.142 -6.753 -8.584 1.00 0.00 C ATOM 1729 CD GLU A 108 -0.182 -8.180 -8.060 1.00 0.00 C ATOM 1730 OE1 GLU A 108 -1.356 -8.500 -7.799 1.00 0.00 O ATOM 1731 OE2 GLU A 108 0.760 -8.993 -7.937 1.00 0.00 O ATOM 0 H GLU A 108 -2.124 -6.959 -6.771 1.00 0.00 H new ATOM 0 HA GLU A 108 -0.726 -4.481 -7.033 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -1.899 -6.320 -9.162 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -0.783 -5.002 -9.460 1.00 0.00 H new ATOM 0 HG2 GLU A 108 0.626 -6.850 -9.556 1.00 0.00 H new ATOM 0 HG3 GLU A 108 0.869 -6.300 -7.909 1.00 0.00 H new ATOM 1738 N GLY A 109 -2.403 -2.929 -8.306 1.00 0.00 N ATOM 1739 CA GLY A 109 -3.393 -2.053 -8.935 1.00 0.00 C ATOM 1740 C GLY A 109 -3.276 -2.124 -10.454 1.00 0.00 C ATOM 1741 O GLY A 109 -3.622 -1.170 -11.158 1.00 0.00 O ATOM 0 H GLY A 109 -1.456 -2.551 -8.296 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -4.396 -2.347 -8.627 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -3.245 -1.026 -8.600 1.00 0.00 H new