USER MOD reduce.3.24.130724 H: found=0, std=0, add=847, rem=0, adj=23 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 180:sc= 0.813 USER MOD Set 1.2: A 34 THR OG1 : rot -82:sc= 0.405 USER MOD Set 1.3: A 78 SER OG : rot -172:sc= 0.469 USER MOD Set 2.1: A 38 SER OG : rot 180:sc= 0.0703 USER MOD Set 2.2: A 40 ASN : amide:sc= 0.504 K(o=0.57,f=-2.6!) USER MOD Set 3.1: A 16 LYS NZ :NH3+ 143:sc= 0.674 (180deg=-0.0482) USER MOD Set 3.2: A 18 THR OG1 : rot 158:sc= 0.538 USER MOD Single : A 13 GLN : amide:sc= -1.46 K(o=-1.5,f=-5.1!) USER MOD Single : A 14 THR OG1 : rot 180:sc= -0.429 USER MOD Single : A 17 GLN : amide:sc= 0.0284 X(o=0.028,f=0) USER MOD Single : A 22 THR OG1 : rot 13:sc= 0.508 USER MOD Single : A 28 THR OG1 : rot 180:sc= -0.0487 USER MOD Single : A 33 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 41 MET CE :methyl -118:sc= -0.304 (180deg=-1.91) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot 180:sc= 0.001 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot -160:sc= 0 USER MOD Single : A 58 THR OG1 : rot 84:sc= 1.05 USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 ASN :FLIP amide:sc= 0 F(o=-0.85,f=0) USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot 36:sc= 0.127 USER MOD Single : A 76 LYS NZ :NH3+ -105:sc= 0.409 (180deg=0.00306) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 ASN : amide:sc= -0.847! C(o=-0.85!,f=-5.3!) USER MOD Single : A 92 GLN : amide:sc= 0 X(o=0,f=-0.16) USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD Single : A 106 CYS SG : rot 160:sc= -1.83 USER MOD ----------------------------------------------------------------- ATOM 84 N LEU A 6 10.971 -15.459 5.870 1.00 0.00 N ATOM 85 CA LEU A 6 11.352 -14.244 5.139 1.00 0.00 C ATOM 86 C LEU A 6 12.419 -14.592 4.081 1.00 0.00 C ATOM 87 O LEU A 6 13.595 -14.748 4.409 1.00 0.00 O ATOM 88 CB LEU A 6 11.885 -13.163 6.131 1.00 0.00 C ATOM 89 CG LEU A 6 11.000 -12.851 7.388 1.00 0.00 C ATOM 90 CD1 LEU A 6 11.660 -11.772 8.284 1.00 0.00 C ATOM 91 CD2 LEU A 6 9.561 -12.452 6.988 1.00 0.00 C ATOM 0 HA LEU A 6 10.477 -13.836 4.633 1.00 0.00 H new ATOM 0 HB2 LEU A 6 12.869 -13.478 6.479 1.00 0.00 H new ATOM 0 HB3 LEU A 6 12.026 -12.235 5.577 1.00 0.00 H new ATOM 0 HG LEU A 6 10.928 -13.768 7.973 1.00 0.00 H new ATOM 0 HD11 LEU A 6 11.024 -11.577 9.147 1.00 0.00 H new ATOM 0 HD12 LEU A 6 12.633 -12.127 8.623 1.00 0.00 H new ATOM 0 HD13 LEU A 6 11.788 -10.853 7.712 1.00 0.00 H new ATOM 0 HD21 LEU A 6 8.978 -12.244 7.885 1.00 0.00 H new ATOM 0 HD22 LEU A 6 9.592 -11.561 6.360 1.00 0.00 H new ATOM 0 HD23 LEU A 6 9.097 -13.269 6.436 1.00 0.00 H new ATOM 103 N ARG A 7 11.981 -14.782 2.830 1.00 0.00 N ATOM 104 CA ARG A 7 12.868 -15.163 1.702 1.00 0.00 C ATOM 105 C ARG A 7 13.101 -13.949 0.775 1.00 0.00 C ATOM 106 O ARG A 7 14.176 -13.788 0.192 1.00 0.00 O ATOM 107 CB ARG A 7 12.244 -16.360 0.909 1.00 0.00 C ATOM 108 CG ARG A 7 11.044 -15.989 0.019 1.00 0.00 C ATOM 109 CD ARG A 7 10.322 -17.181 -0.630 1.00 0.00 C ATOM 110 NE ARG A 7 9.219 -17.693 0.200 1.00 0.00 N ATOM 111 CZ ARG A 7 7.935 -17.281 0.120 1.00 0.00 C ATOM 112 NH1 ARG A 7 7.599 -16.208 -0.614 1.00 0.00 N ATOM 113 NH2 ARG A 7 7.001 -17.912 0.822 1.00 0.00 N ATOM 0 H ARG A 7 11.002 -14.678 2.562 1.00 0.00 H new ATOM 0 HA ARG A 7 13.833 -15.480 2.098 1.00 0.00 H new ATOM 0 HB2 ARG A 7 13.018 -16.806 0.284 1.00 0.00 H new ATOM 0 HB3 ARG A 7 11.929 -17.124 1.620 1.00 0.00 H new ATOM 0 HG2 ARG A 7 10.325 -15.431 0.619 1.00 0.00 H new ATOM 0 HG3 ARG A 7 11.389 -15.320 -0.769 1.00 0.00 H new ATOM 0 HD2 ARG A 7 9.931 -16.879 -1.602 1.00 0.00 H new ATOM 0 HD3 ARG A 7 11.039 -17.982 -0.809 1.00 0.00 H new ATOM 0 HE ARG A 7 9.441 -18.413 0.887 1.00 0.00 H new ATOM 0 HH11 ARG A 7 8.318 -15.692 -1.121 1.00 0.00 H new ATOM 0 HH12 ARG A 7 6.625 -15.909 -0.664 1.00 0.00 H new ATOM 0 HH21 ARG A 7 7.256 -18.701 1.416 1.00 0.00 H new ATOM 0 HH22 ARG A 7 6.029 -17.607 0.767 1.00 0.00 H new ATOM 127 N ASP A 8 12.067 -13.100 0.666 1.00 0.00 N ATOM 128 CA ASP A 8 12.037 -11.926 -0.229 1.00 0.00 C ATOM 129 C ASP A 8 12.435 -10.668 0.541 1.00 0.00 C ATOM 130 O ASP A 8 12.821 -10.745 1.717 1.00 0.00 O ATOM 131 CB ASP A 8 10.609 -11.761 -0.829 1.00 0.00 C ATOM 132 CG ASP A 8 10.101 -13.043 -1.505 1.00 0.00 C ATOM 133 OD1 ASP A 8 10.799 -13.560 -2.400 1.00 0.00 O ATOM 134 OD2 ASP A 8 9.037 -13.577 -1.106 1.00 0.00 O ATOM 0 H ASP A 8 11.210 -13.210 1.207 1.00 0.00 H new ATOM 0 HA ASP A 8 12.749 -12.076 -1.041 1.00 0.00 H new ATOM 0 HB2 ASP A 8 9.917 -11.473 -0.037 1.00 0.00 H new ATOM 0 HB3 ASP A 8 10.616 -10.949 -1.556 1.00 0.00 H new ATOM 139 N ARG A 9 12.330 -9.510 -0.128 1.00 0.00 N ATOM 140 CA ARG A 9 12.623 -8.204 0.476 1.00 0.00 C ATOM 141 C ARG A 9 11.824 -7.122 -0.266 1.00 0.00 C ATOM 142 O ARG A 9 11.933 -6.995 -1.490 1.00 0.00 O ATOM 143 CB ARG A 9 14.155 -7.917 0.418 1.00 0.00 C ATOM 144 CG ARG A 9 14.610 -6.703 1.245 1.00 0.00 C ATOM 145 CD ARG A 9 16.136 -6.495 1.233 1.00 0.00 C ATOM 146 NE ARG A 9 16.679 -6.276 -0.122 1.00 0.00 N ATOM 147 CZ ARG A 9 17.949 -6.509 -0.490 1.00 0.00 C ATOM 148 NH1 ARG A 9 18.818 -7.048 0.355 1.00 0.00 N ATOM 149 NH2 ARG A 9 18.341 -6.211 -1.715 1.00 0.00 N ATOM 0 H ARG A 9 12.039 -9.454 -1.104 1.00 0.00 H new ATOM 0 HA ARG A 9 12.327 -8.203 1.525 1.00 0.00 H new ATOM 0 HB2 ARG A 9 14.690 -8.800 0.768 1.00 0.00 H new ATOM 0 HB3 ARG A 9 14.443 -7.761 -0.622 1.00 0.00 H new ATOM 0 HG2 ARG A 9 14.125 -5.807 0.859 1.00 0.00 H new ATOM 0 HG3 ARG A 9 14.275 -6.828 2.275 1.00 0.00 H new ATOM 0 HD2 ARG A 9 16.385 -5.639 1.861 1.00 0.00 H new ATOM 0 HD3 ARG A 9 16.619 -7.366 1.675 1.00 0.00 H new ATOM 0 HE ARG A 9 16.040 -5.920 -0.833 1.00 0.00 H new ATOM 0 HH11 ARG A 9 18.525 -7.292 1.301 1.00 0.00 H new ATOM 0 HH12 ARG A 9 19.779 -7.218 0.059 1.00 0.00 H new ATOM 0 HH21 ARG A 9 17.680 -5.805 -2.378 1.00 0.00 H new ATOM 0 HH22 ARG A 9 19.305 -6.386 -1.999 1.00 0.00 H new ATOM 163 N ILE A 10 11.002 -6.358 0.484 1.00 0.00 N ATOM 164 CA ILE A 10 10.130 -5.300 -0.074 1.00 0.00 C ATOM 165 C ILE A 10 10.552 -3.924 0.470 1.00 0.00 C ATOM 166 O ILE A 10 11.198 -3.841 1.520 1.00 0.00 O ATOM 167 CB ILE A 10 8.584 -5.551 0.234 1.00 0.00 C ATOM 168 CG1 ILE A 10 8.147 -5.082 1.665 1.00 0.00 C ATOM 169 CG2 ILE A 10 8.187 -7.028 -0.008 1.00 0.00 C ATOM 170 CD1 ILE A 10 8.781 -5.787 2.836 1.00 0.00 C ATOM 0 H ILE A 10 10.923 -6.457 1.496 1.00 0.00 H new ATOM 0 HA ILE A 10 10.253 -5.326 -1.157 1.00 0.00 H new ATOM 0 HB ILE A 10 8.039 -4.926 -0.474 1.00 0.00 H new ATOM 0 HG12 ILE A 10 8.362 -4.017 1.753 1.00 0.00 H new ATOM 0 HG13 ILE A 10 7.066 -5.197 1.744 1.00 0.00 H new ATOM 0 HG21 ILE A 10 7.128 -7.161 0.212 1.00 0.00 H new ATOM 0 HG22 ILE A 10 8.377 -7.290 -1.049 1.00 0.00 H new ATOM 0 HG23 ILE A 10 8.776 -7.674 0.642 1.00 0.00 H new ATOM 0 HD11 ILE A 10 8.394 -5.369 3.765 1.00 0.00 H new ATOM 0 HD12 ILE A 10 8.546 -6.850 2.791 1.00 0.00 H new ATOM 0 HD13 ILE A 10 9.862 -5.652 2.800 1.00 0.00 H new ATOM 182 N THR A 11 10.173 -2.855 -0.238 1.00 0.00 N ATOM 183 CA THR A 11 10.279 -1.477 0.260 1.00 0.00 C ATOM 184 C THR A 11 8.867 -0.927 0.544 1.00 0.00 C ATOM 185 O THR A 11 7.901 -1.277 -0.148 1.00 0.00 O ATOM 186 CB THR A 11 11.039 -0.557 -0.747 1.00 0.00 C ATOM 187 OG1 THR A 11 12.276 -1.178 -1.108 1.00 0.00 O ATOM 188 CG2 THR A 11 11.345 0.827 -0.142 1.00 0.00 C ATOM 0 H THR A 11 9.782 -2.920 -1.178 1.00 0.00 H new ATOM 0 HA THR A 11 10.858 -1.486 1.184 1.00 0.00 H new ATOM 0 HB THR A 11 10.399 -0.418 -1.618 1.00 0.00 H new ATOM 0 HG1 THR A 11 12.757 -0.605 -1.741 1.00 0.00 H new ATOM 0 HG21 THR A 11 11.874 1.436 -0.875 1.00 0.00 H new ATOM 0 HG22 THR A 11 10.412 1.319 0.132 1.00 0.00 H new ATOM 0 HG23 THR A 11 11.966 0.707 0.746 1.00 0.00 H new ATOM 196 N ILE A 12 8.770 -0.081 1.579 1.00 0.00 N ATOM 197 CA ILE A 12 7.507 0.477 2.082 1.00 0.00 C ATOM 198 C ILE A 12 7.327 1.922 1.574 1.00 0.00 C ATOM 199 O ILE A 12 8.030 2.826 2.029 1.00 0.00 O ATOM 200 CB ILE A 12 7.512 0.454 3.663 1.00 0.00 C ATOM 201 CG1 ILE A 12 7.791 -0.985 4.207 1.00 0.00 C ATOM 202 CG2 ILE A 12 6.211 1.032 4.262 1.00 0.00 C ATOM 203 CD1 ILE A 12 6.807 -2.058 3.768 1.00 0.00 C ATOM 0 H ILE A 12 9.585 0.241 2.101 1.00 0.00 H new ATOM 0 HA ILE A 12 6.677 -0.127 1.717 1.00 0.00 H new ATOM 0 HB ILE A 12 8.326 1.103 3.985 1.00 0.00 H new ATOM 0 HG12 ILE A 12 8.791 -1.285 3.893 1.00 0.00 H new ATOM 0 HG13 ILE A 12 7.797 -0.947 5.296 1.00 0.00 H new ATOM 0 HG21 ILE A 12 6.263 0.994 5.350 1.00 0.00 H new ATOM 0 HG22 ILE A 12 6.090 2.066 3.940 1.00 0.00 H new ATOM 0 HG23 ILE A 12 5.360 0.444 3.919 1.00 0.00 H new ATOM 0 HD11 ILE A 12 7.095 -3.015 4.202 1.00 0.00 H new ATOM 0 HD12 ILE A 12 5.805 -1.793 4.106 1.00 0.00 H new ATOM 0 HD13 ILE A 12 6.815 -2.136 2.681 1.00 0.00 H new ATOM 215 N GLN A 13 6.401 2.126 0.614 1.00 0.00 N ATOM 216 CA GLN A 13 6.064 3.478 0.116 1.00 0.00 C ATOM 217 C GLN A 13 5.154 4.162 1.142 1.00 0.00 C ATOM 218 O GLN A 13 3.940 3.941 1.159 1.00 0.00 O ATOM 219 CB GLN A 13 5.362 3.470 -1.285 1.00 0.00 C ATOM 220 CG GLN A 13 6.190 2.938 -2.472 1.00 0.00 C ATOM 221 CD GLN A 13 6.424 1.432 -2.417 1.00 0.00 C ATOM 222 OE1 GLN A 13 5.594 0.651 -2.873 1.00 0.00 O ATOM 223 NE2 GLN A 13 7.556 1.011 -1.873 1.00 0.00 N ATOM 0 H GLN A 13 5.874 1.375 0.169 1.00 0.00 H new ATOM 0 HA GLN A 13 7.000 4.021 -0.013 1.00 0.00 H new ATOM 0 HB2 GLN A 13 4.455 2.871 -1.207 1.00 0.00 H new ATOM 0 HB3 GLN A 13 5.052 4.489 -1.516 1.00 0.00 H new ATOM 0 HG2 GLN A 13 5.679 3.186 -3.402 1.00 0.00 H new ATOM 0 HG3 GLN A 13 7.153 3.448 -2.492 1.00 0.00 H new ATOM 0 HE21 GLN A 13 8.226 1.685 -1.503 1.00 0.00 H new ATOM 0 HE22 GLN A 13 7.758 0.012 -1.824 1.00 0.00 H new ATOM 232 N THR A 14 5.765 4.955 2.018 1.00 0.00 N ATOM 233 CA THR A 14 5.057 5.730 3.036 1.00 0.00 C ATOM 234 C THR A 14 4.476 7.008 2.408 1.00 0.00 C ATOM 235 O THR A 14 5.018 7.521 1.423 1.00 0.00 O ATOM 236 CB THR A 14 6.022 6.079 4.210 1.00 0.00 C ATOM 237 OG1 THR A 14 7.291 6.509 3.691 1.00 0.00 O ATOM 238 CG2 THR A 14 6.243 4.880 5.149 1.00 0.00 C ATOM 0 H THR A 14 6.777 5.080 2.042 1.00 0.00 H new ATOM 0 HA THR A 14 4.235 5.135 3.434 1.00 0.00 H new ATOM 0 HB THR A 14 5.557 6.881 4.784 1.00 0.00 H new ATOM 0 HG1 THR A 14 7.891 6.728 4.434 1.00 0.00 H new ATOM 0 HG21 THR A 14 6.921 5.167 5.952 1.00 0.00 H new ATOM 0 HG22 THR A 14 5.288 4.570 5.574 1.00 0.00 H new ATOM 0 HG23 THR A 14 6.676 4.053 4.587 1.00 0.00 H new ATOM 246 N LEU A 15 3.375 7.518 2.975 1.00 0.00 N ATOM 247 CA LEU A 15 2.625 8.627 2.376 1.00 0.00 C ATOM 248 C LEU A 15 3.112 9.980 2.922 1.00 0.00 C ATOM 249 O LEU A 15 2.733 10.404 4.019 1.00 0.00 O ATOM 250 CB LEU A 15 1.106 8.456 2.613 1.00 0.00 C ATOM 251 CG LEU A 15 0.206 9.441 1.808 1.00 0.00 C ATOM 252 CD1 LEU A 15 0.421 9.276 0.288 1.00 0.00 C ATOM 253 CD2 LEU A 15 -1.274 9.296 2.192 1.00 0.00 C ATOM 0 H LEU A 15 2.983 7.177 3.853 1.00 0.00 H new ATOM 0 HA LEU A 15 2.806 8.612 1.301 1.00 0.00 H new ATOM 0 HB2 LEU A 15 0.825 7.435 2.355 1.00 0.00 H new ATOM 0 HB3 LEU A 15 0.901 8.584 3.676 1.00 0.00 H new ATOM 0 HG LEU A 15 0.506 10.455 2.073 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -0.220 9.976 -0.248 1.00 0.00 H new ATOM 0 HD12 LEU A 15 1.464 9.479 0.044 1.00 0.00 H new ATOM 0 HD13 LEU A 15 0.171 8.257 -0.006 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -1.871 9.998 1.611 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -1.606 8.279 1.984 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -1.397 9.508 3.254 1.00 0.00 H new ATOM 265 N LYS A 16 3.987 10.624 2.155 1.00 0.00 N ATOM 266 CA LYS A 16 4.472 11.981 2.423 1.00 0.00 C ATOM 267 C LYS A 16 3.393 13.005 2.023 1.00 0.00 C ATOM 268 O LYS A 16 3.274 13.372 0.856 1.00 0.00 O ATOM 269 CB LYS A 16 5.786 12.237 1.643 1.00 0.00 C ATOM 270 CG LYS A 16 6.474 13.578 1.965 1.00 0.00 C ATOM 271 CD LYS A 16 7.796 13.774 1.192 1.00 0.00 C ATOM 272 CE LYS A 16 8.490 15.097 1.561 1.00 0.00 C ATOM 273 NZ LYS A 16 7.673 16.284 1.193 1.00 0.00 N ATOM 0 H LYS A 16 4.389 10.212 1.313 1.00 0.00 H new ATOM 0 HA LYS A 16 4.678 12.089 3.488 1.00 0.00 H new ATOM 0 HB2 LYS A 16 6.483 11.426 1.856 1.00 0.00 H new ATOM 0 HB3 LYS A 16 5.572 12.201 0.575 1.00 0.00 H new ATOM 0 HG2 LYS A 16 5.794 14.396 1.726 1.00 0.00 H new ATOM 0 HG3 LYS A 16 6.673 13.631 3.035 1.00 0.00 H new ATOM 0 HD2 LYS A 16 8.467 12.941 1.404 1.00 0.00 H new ATOM 0 HD3 LYS A 16 7.595 13.757 0.121 1.00 0.00 H new ATOM 0 HE2 LYS A 16 8.689 15.114 2.632 1.00 0.00 H new ATOM 0 HE3 LYS A 16 9.455 15.152 1.056 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 7.782 17.020 1.920 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 7.992 16.654 0.275 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 6.672 16.009 1.126 1.00 0.00 H new ATOM 287 N GLN A 17 2.590 13.422 2.999 1.00 0.00 N ATOM 288 CA GLN A 17 1.525 14.413 2.798 1.00 0.00 C ATOM 289 C GLN A 17 2.156 15.814 2.909 1.00 0.00 C ATOM 290 O GLN A 17 2.523 16.257 4.001 1.00 0.00 O ATOM 291 CB GLN A 17 0.391 14.174 3.838 1.00 0.00 C ATOM 292 CG GLN A 17 -0.178 12.737 3.801 1.00 0.00 C ATOM 293 CD GLN A 17 -1.294 12.474 4.815 1.00 0.00 C ATOM 294 OE1 GLN A 17 -1.036 12.097 5.953 1.00 0.00 O ATOM 295 NE2 GLN A 17 -2.542 12.653 4.407 1.00 0.00 N ATOM 0 H GLN A 17 2.657 13.083 3.959 1.00 0.00 H new ATOM 0 HA GLN A 17 1.068 14.322 1.813 1.00 0.00 H new ATOM 0 HB2 GLN A 17 0.774 14.380 4.837 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -0.417 14.882 3.654 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -0.558 12.535 2.800 1.00 0.00 H new ATOM 0 HG3 GLN A 17 0.634 12.033 3.981 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -2.727 12.967 3.454 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -3.318 12.476 5.046 1.00 0.00 H new ATOM 304 N THR A 18 2.332 16.472 1.754 1.00 0.00 N ATOM 305 CA THR A 18 3.105 17.722 1.618 1.00 0.00 C ATOM 306 C THR A 18 2.167 18.891 1.280 1.00 0.00 C ATOM 307 O THR A 18 1.552 18.897 0.223 1.00 0.00 O ATOM 308 CB THR A 18 4.181 17.555 0.491 1.00 0.00 C ATOM 309 OG1 THR A 18 4.946 16.361 0.741 1.00 0.00 O ATOM 310 CG2 THR A 18 5.128 18.771 0.413 1.00 0.00 C ATOM 0 H THR A 18 1.936 16.148 0.872 1.00 0.00 H new ATOM 0 HA THR A 18 3.604 17.937 2.563 1.00 0.00 H new ATOM 0 HB THR A 18 3.661 17.481 -0.464 1.00 0.00 H new ATOM 0 HG1 THR A 18 5.358 16.055 -0.094 1.00 0.00 H new ATOM 0 HG21 THR A 18 5.858 18.613 -0.381 1.00 0.00 H new ATOM 0 HG22 THR A 18 4.549 19.670 0.201 1.00 0.00 H new ATOM 0 HG23 THR A 18 5.647 18.890 1.364 1.00 0.00 H new ATOM 318 N ARG A 19 2.070 19.880 2.174 1.00 0.00 N ATOM 319 CA ARG A 19 1.130 21.004 2.016 1.00 0.00 C ATOM 320 C ARG A 19 1.757 22.128 1.155 1.00 0.00 C ATOM 321 O ARG A 19 2.949 22.421 1.276 1.00 0.00 O ATOM 322 CB ARG A 19 0.686 21.523 3.406 1.00 0.00 C ATOM 323 CG ARG A 19 -0.472 22.547 3.359 1.00 0.00 C ATOM 324 CD ARG A 19 -1.037 22.884 4.751 1.00 0.00 C ATOM 325 NE ARG A 19 -0.031 23.499 5.643 1.00 0.00 N ATOM 326 CZ ARG A 19 -0.203 23.728 6.955 1.00 0.00 C ATOM 327 NH1 ARG A 19 -1.344 23.421 7.565 1.00 0.00 N ATOM 328 NH2 ARG A 19 0.778 24.271 7.656 1.00 0.00 N ATOM 0 H ARG A 19 2.634 19.928 3.022 1.00 0.00 H new ATOM 0 HA ARG A 19 0.242 20.654 1.489 1.00 0.00 H new ATOM 0 HB2 ARG A 19 0.381 20.674 4.018 1.00 0.00 H new ATOM 0 HB3 ARG A 19 1.542 21.982 3.901 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -0.120 23.463 2.885 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -1.273 22.152 2.734 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -1.882 23.564 4.641 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -1.418 21.974 5.214 1.00 0.00 H new ATOM 0 HE ARG A 19 0.862 23.770 5.230 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -2.109 23.003 7.035 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -1.454 23.603 8.563 1.00 0.00 H new ATOM 0 HH21 ARG A 19 1.658 24.513 7.200 1.00 0.00 H new ATOM 0 HH22 ARG A 19 0.655 24.448 8.653 1.00 0.00 H new ATOM 342 N ASP A 20 0.935 22.729 0.277 1.00 0.00 N ATOM 343 CA ASP A 20 1.352 23.777 -0.686 1.00 0.00 C ATOM 344 C ASP A 20 0.966 25.173 -0.135 1.00 0.00 C ATOM 345 O ASP A 20 0.343 25.251 0.935 1.00 0.00 O ATOM 346 CB ASP A 20 0.663 23.476 -2.045 1.00 0.00 C ATOM 347 CG ASP A 20 1.275 24.200 -3.251 1.00 0.00 C ATOM 348 OD1 ASP A 20 2.247 23.685 -3.841 1.00 0.00 O ATOM 349 OD2 ASP A 20 0.795 25.287 -3.617 1.00 0.00 O ATOM 0 H ASP A 20 -0.057 22.500 0.211 1.00 0.00 H new ATOM 0 HA ASP A 20 2.432 23.777 -0.830 1.00 0.00 H new ATOM 0 HB2 ASP A 20 0.702 22.402 -2.226 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -0.390 23.749 -1.971 1.00 0.00 H new ATOM 354 N ILE A 21 1.309 26.253 -0.884 1.00 0.00 N ATOM 355 CA ILE A 21 1.161 27.664 -0.439 1.00 0.00 C ATOM 356 C ILE A 21 -0.250 27.988 0.111 1.00 0.00 C ATOM 357 O ILE A 21 -0.372 28.589 1.183 1.00 0.00 O ATOM 358 CB ILE A 21 1.537 28.688 -1.593 1.00 0.00 C ATOM 359 CG1 ILE A 21 1.468 30.172 -1.081 1.00 0.00 C ATOM 360 CG2 ILE A 21 0.669 28.490 -2.862 1.00 0.00 C ATOM 361 CD1 ILE A 21 1.729 31.241 -2.137 1.00 0.00 C ATOM 0 H ILE A 21 1.700 26.168 -1.822 1.00 0.00 H new ATOM 0 HA ILE A 21 1.866 27.780 0.384 1.00 0.00 H new ATOM 0 HB ILE A 21 2.567 28.477 -1.880 1.00 0.00 H new ATOM 0 HG12 ILE A 21 0.482 30.344 -0.650 1.00 0.00 H new ATOM 0 HG13 ILE A 21 2.193 30.295 -0.277 1.00 0.00 H new ATOM 0 HG21 ILE A 21 0.965 29.214 -3.622 1.00 0.00 H new ATOM 0 HG22 ILE A 21 0.813 27.481 -3.247 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -0.382 28.636 -2.611 1.00 0.00 H new ATOM 0 HD11 ILE A 21 1.658 32.228 -1.681 1.00 0.00 H new ATOM 0 HD12 ILE A 21 2.727 31.105 -2.554 1.00 0.00 H new ATOM 0 HD13 ILE A 21 0.989 31.155 -2.933 1.00 0.00 H new ATOM 373 N THR A 22 -1.305 27.570 -0.608 1.00 0.00 N ATOM 374 CA THR A 22 -2.700 27.895 -0.232 1.00 0.00 C ATOM 375 C THR A 22 -3.437 26.672 0.364 1.00 0.00 C ATOM 376 O THR A 22 -4.655 26.708 0.536 1.00 0.00 O ATOM 377 CB THR A 22 -3.475 28.524 -1.447 1.00 0.00 C ATOM 378 OG1 THR A 22 -3.328 27.708 -2.611 1.00 0.00 O ATOM 379 CG2 THR A 22 -2.979 29.951 -1.771 1.00 0.00 C ATOM 0 H THR A 22 -1.223 27.006 -1.454 1.00 0.00 H new ATOM 0 HA THR A 22 -2.667 28.646 0.558 1.00 0.00 H new ATOM 0 HB THR A 22 -4.525 28.578 -1.159 1.00 0.00 H new ATOM 0 HG1 THR A 22 -2.955 26.838 -2.356 1.00 0.00 H new ATOM 0 HG21 THR A 22 -3.541 30.348 -2.616 1.00 0.00 H new ATOM 0 HG22 THR A 22 -3.127 30.593 -0.903 1.00 0.00 H new ATOM 0 HG23 THR A 22 -1.919 29.919 -2.023 1.00 0.00 H new ATOM 387 N GLY A 23 -2.677 25.602 0.706 1.00 0.00 N ATOM 388 CA GLY A 23 -3.188 24.503 1.557 1.00 0.00 C ATOM 389 C GLY A 23 -3.497 23.202 0.821 1.00 0.00 C ATOM 390 O GLY A 23 -4.297 22.398 1.314 1.00 0.00 O ATOM 0 H GLY A 23 -1.710 25.479 0.405 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -2.454 24.296 2.335 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -4.095 24.843 2.057 1.00 0.00 H new ATOM 394 N GLU A 24 -2.861 22.986 -0.344 1.00 0.00 N ATOM 395 CA GLU A 24 -3.030 21.746 -1.141 1.00 0.00 C ATOM 396 C GLU A 24 -2.199 20.621 -0.501 1.00 0.00 C ATOM 397 O GLU A 24 -0.984 20.756 -0.386 1.00 0.00 O ATOM 398 CB GLU A 24 -2.579 21.951 -2.622 1.00 0.00 C ATOM 399 CG GLU A 24 -3.417 22.942 -3.461 1.00 0.00 C ATOM 400 CD GLU A 24 -3.468 24.374 -2.902 1.00 0.00 C ATOM 401 OE1 GLU A 24 -2.395 24.938 -2.588 1.00 0.00 O ATOM 402 OE2 GLU A 24 -4.577 24.932 -2.745 1.00 0.00 O ATOM 0 H GLU A 24 -2.218 23.658 -0.762 1.00 0.00 H new ATOM 0 HA GLU A 24 -4.087 21.482 -1.147 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -1.544 22.294 -2.620 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -2.593 20.982 -3.121 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -3.011 22.975 -4.472 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -4.435 22.560 -3.539 1.00 0.00 H new ATOM 409 N ILE A 25 -2.851 19.531 -0.075 1.00 0.00 N ATOM 410 CA ILE A 25 -2.160 18.379 0.542 1.00 0.00 C ATOM 411 C ILE A 25 -1.719 17.391 -0.560 1.00 0.00 C ATOM 412 O ILE A 25 -2.469 16.476 -0.929 1.00 0.00 O ATOM 413 CB ILE A 25 -3.058 17.651 1.618 1.00 0.00 C ATOM 414 CG1 ILE A 25 -3.604 18.661 2.683 1.00 0.00 C ATOM 415 CG2 ILE A 25 -2.288 16.485 2.301 1.00 0.00 C ATOM 416 CD1 ILE A 25 -2.550 19.322 3.565 1.00 0.00 C ATOM 0 H ILE A 25 -3.862 19.418 -0.145 1.00 0.00 H new ATOM 0 HA ILE A 25 -1.282 18.755 1.068 1.00 0.00 H new ATOM 0 HB ILE A 25 -3.914 17.225 1.094 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -4.160 19.442 2.165 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -4.312 18.137 3.325 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -2.933 16.004 3.036 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -1.990 15.756 1.548 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -1.401 16.877 2.798 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -3.036 20.001 4.266 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -2.007 18.556 4.119 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -1.853 19.882 2.941 1.00 0.00 H new ATOM 428 N LEU A 26 -0.520 17.630 -1.115 1.00 0.00 N ATOM 429 CA LEU A 26 0.105 16.752 -2.121 1.00 0.00 C ATOM 430 C LEU A 26 0.547 15.442 -1.456 1.00 0.00 C ATOM 431 O LEU A 26 1.646 15.353 -0.897 1.00 0.00 O ATOM 432 CB LEU A 26 1.313 17.430 -2.853 1.00 0.00 C ATOM 433 CG LEU A 26 0.991 18.625 -3.809 1.00 0.00 C ATOM 434 CD1 LEU A 26 -0.105 18.259 -4.830 1.00 0.00 C ATOM 435 CD2 LEU A 26 0.650 19.911 -3.032 1.00 0.00 C ATOM 0 H LEU A 26 0.048 18.443 -0.878 1.00 0.00 H new ATOM 0 HA LEU A 26 -0.644 16.546 -2.886 1.00 0.00 H new ATOM 0 HB2 LEU A 26 2.012 17.783 -2.095 1.00 0.00 H new ATOM 0 HB3 LEU A 26 1.830 16.664 -3.432 1.00 0.00 H new ATOM 0 HG LEU A 26 1.898 18.833 -4.376 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -0.301 19.115 -5.476 1.00 0.00 H new ATOM 0 HD12 LEU A 26 0.228 17.416 -5.435 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -1.019 17.987 -4.301 1.00 0.00 H new ATOM 0 HD21 LEU A 26 0.433 20.715 -3.736 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -0.222 19.735 -2.402 1.00 0.00 H new ATOM 0 HD23 LEU A 26 1.497 20.194 -2.408 1.00 0.00 H new ATOM 447 N GLU A 27 -0.338 14.446 -1.496 1.00 0.00 N ATOM 448 CA GLU A 27 -0.082 13.130 -0.923 1.00 0.00 C ATOM 449 C GLU A 27 0.786 12.321 -1.895 1.00 0.00 C ATOM 450 O GLU A 27 0.296 11.722 -2.852 1.00 0.00 O ATOM 451 CB GLU A 27 -1.421 12.420 -0.614 1.00 0.00 C ATOM 452 CG GLU A 27 -2.276 13.144 0.436 1.00 0.00 C ATOM 453 CD GLU A 27 -3.588 12.412 0.736 1.00 0.00 C ATOM 454 OE1 GLU A 27 -4.538 12.523 -0.066 1.00 0.00 O ATOM 455 OE2 GLU A 27 -3.673 11.712 1.764 1.00 0.00 O ATOM 0 H GLU A 27 -1.257 14.533 -1.930 1.00 0.00 H new ATOM 0 HA GLU A 27 0.459 13.225 0.018 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -1.995 12.328 -1.536 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -1.214 11.408 -0.266 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -1.703 13.247 1.357 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -2.499 14.152 0.085 1.00 0.00 H new ATOM 462 N THR A 28 2.090 12.386 -1.658 1.00 0.00 N ATOM 463 CA THR A 28 3.108 11.708 -2.465 1.00 0.00 C ATOM 464 C THR A 28 3.571 10.445 -1.744 1.00 0.00 C ATOM 465 O THR A 28 3.661 10.424 -0.525 1.00 0.00 O ATOM 466 CB THR A 28 4.319 12.660 -2.748 1.00 0.00 C ATOM 467 OG1 THR A 28 4.773 13.277 -1.530 1.00 0.00 O ATOM 468 CG2 THR A 28 3.949 13.743 -3.774 1.00 0.00 C ATOM 0 H THR A 28 2.482 12.922 -0.884 1.00 0.00 H new ATOM 0 HA THR A 28 2.673 11.431 -3.425 1.00 0.00 H new ATOM 0 HB THR A 28 5.124 12.054 -3.163 1.00 0.00 H new ATOM 0 HG1 THR A 28 5.531 13.867 -1.725 1.00 0.00 H new ATOM 0 HG21 THR A 28 4.810 14.388 -3.949 1.00 0.00 H new ATOM 0 HG22 THR A 28 3.653 13.271 -4.711 1.00 0.00 H new ATOM 0 HG23 THR A 28 3.121 14.340 -3.391 1.00 0.00 H new ATOM 476 N TRP A 29 3.853 9.399 -2.506 1.00 0.00 N ATOM 477 CA TRP A 29 4.278 8.105 -1.964 1.00 0.00 C ATOM 478 C TRP A 29 5.803 8.057 -1.947 1.00 0.00 C ATOM 479 O TRP A 29 6.425 7.750 -2.971 1.00 0.00 O ATOM 480 CB TRP A 29 3.682 6.960 -2.823 1.00 0.00 C ATOM 481 CG TRP A 29 2.177 6.980 -2.874 1.00 0.00 C ATOM 482 CD1 TRP A 29 1.385 7.553 -3.828 1.00 0.00 C ATOM 483 CD2 TRP A 29 1.295 6.425 -1.901 1.00 0.00 C ATOM 484 NE1 TRP A 29 0.068 7.359 -3.518 1.00 0.00 N ATOM 485 CE2 TRP A 29 -0.016 6.670 -2.339 1.00 0.00 C ATOM 486 CE3 TRP A 29 1.490 5.735 -0.708 1.00 0.00 C ATOM 487 CZ2 TRP A 29 -1.133 6.244 -1.625 1.00 0.00 C ATOM 488 CZ3 TRP A 29 0.387 5.317 0.000 1.00 0.00 C ATOM 489 CH2 TRP A 29 -0.912 5.571 -0.458 1.00 0.00 C ATOM 0 H TRP A 29 3.795 9.418 -3.524 1.00 0.00 H new ATOM 0 HA TRP A 29 3.915 7.979 -0.944 1.00 0.00 H new ATOM 0 HB2 TRP A 29 4.075 7.033 -3.837 1.00 0.00 H new ATOM 0 HB3 TRP A 29 4.013 6.002 -2.421 1.00 0.00 H new ATOM 0 HD1 TRP A 29 1.746 8.081 -4.698 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -0.725 7.677 -4.076 1.00 0.00 H new ATOM 0 HE3 TRP A 29 2.487 5.532 -0.346 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -2.134 6.438 -1.980 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 0.526 4.782 0.928 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -1.755 5.228 0.123 1.00 0.00 H new ATOM 500 N GLU A 30 6.419 8.436 -0.807 1.00 0.00 N ATOM 501 CA GLU A 30 7.877 8.401 -0.675 1.00 0.00 C ATOM 502 C GLU A 30 8.305 6.941 -0.436 1.00 0.00 C ATOM 503 O GLU A 30 7.930 6.324 0.572 1.00 0.00 O ATOM 504 CB GLU A 30 8.384 9.368 0.441 1.00 0.00 C ATOM 505 CG GLU A 30 7.883 9.080 1.874 1.00 0.00 C ATOM 506 CD GLU A 30 8.466 10.012 2.950 1.00 0.00 C ATOM 507 OE1 GLU A 30 9.690 10.265 2.936 1.00 0.00 O ATOM 508 OE2 GLU A 30 7.714 10.473 3.837 1.00 0.00 O ATOM 0 H GLU A 30 5.928 8.766 0.024 1.00 0.00 H new ATOM 0 HA GLU A 30 8.340 8.760 -1.594 1.00 0.00 H new ATOM 0 HB2 GLU A 30 9.474 9.342 0.448 1.00 0.00 H new ATOM 0 HB3 GLU A 30 8.091 10.383 0.173 1.00 0.00 H new ATOM 0 HG2 GLU A 30 6.796 9.162 1.889 1.00 0.00 H new ATOM 0 HG3 GLU A 30 8.128 8.050 2.131 1.00 0.00 H new ATOM 515 N ASP A 31 9.003 6.376 -1.432 1.00 0.00 N ATOM 516 CA ASP A 31 9.571 5.025 -1.355 1.00 0.00 C ATOM 517 C ASP A 31 10.586 4.973 -0.193 1.00 0.00 C ATOM 518 O ASP A 31 11.701 5.497 -0.306 1.00 0.00 O ATOM 519 CB ASP A 31 10.222 4.662 -2.711 1.00 0.00 C ATOM 520 CG ASP A 31 10.757 3.224 -2.777 1.00 0.00 C ATOM 521 OD1 ASP A 31 9.945 2.285 -2.894 1.00 0.00 O ATOM 522 OD2 ASP A 31 11.988 3.029 -2.719 1.00 0.00 O ATOM 0 H ASP A 31 9.189 6.847 -2.317 1.00 0.00 H new ATOM 0 HA ASP A 31 8.792 4.289 -1.156 1.00 0.00 H new ATOM 0 HB2 ASP A 31 9.489 4.804 -3.505 1.00 0.00 H new ATOM 0 HB3 ASP A 31 11.041 5.354 -2.907 1.00 0.00 H new ATOM 527 N GLY A 32 10.160 4.355 0.916 1.00 0.00 N ATOM 528 CA GLY A 32 10.779 4.553 2.224 1.00 0.00 C ATOM 529 C GLY A 32 11.847 3.522 2.557 1.00 0.00 C ATOM 530 O GLY A 32 12.928 3.539 1.966 1.00 0.00 O ATOM 0 H GLY A 32 9.375 3.704 0.927 1.00 0.00 H new ATOM 0 HA2 GLY A 32 11.223 5.548 2.259 1.00 0.00 H new ATOM 0 HA3 GLY A 32 10.005 4.522 2.991 1.00 0.00 H new ATOM 534 N HIS A 33 11.546 2.625 3.516 1.00 0.00 N ATOM 535 CA HIS A 33 12.524 1.678 4.084 1.00 0.00 C ATOM 536 C HIS A 33 12.272 0.257 3.586 1.00 0.00 C ATOM 537 O HIS A 33 11.129 -0.150 3.362 1.00 0.00 O ATOM 538 CB HIS A 33 12.497 1.731 5.632 1.00 0.00 C ATOM 539 CG HIS A 33 13.021 3.026 6.194 1.00 0.00 C ATOM 540 ND1 HIS A 33 14.360 3.243 6.445 1.00 0.00 N ATOM 541 CD2 HIS A 33 12.391 4.171 6.534 1.00 0.00 C ATOM 542 CE1 HIS A 33 14.528 4.463 6.899 1.00 0.00 C ATOM 543 NE2 HIS A 33 13.349 5.048 6.978 1.00 0.00 N ATOM 0 H HIS A 33 10.614 2.537 3.920 1.00 0.00 H new ATOM 0 HA HIS A 33 13.516 1.977 3.746 1.00 0.00 H new ATOM 0 HB2 HIS A 33 11.473 1.582 5.976 1.00 0.00 H new ATOM 0 HB3 HIS A 33 13.089 0.906 6.027 1.00 0.00 H new ATOM 0 HD2 HIS A 33 11.330 4.361 6.469 1.00 0.00 H new ATOM 0 HE1 HIS A 33 15.474 4.912 7.164 1.00 0.00 H new ATOM 0 HE2 HIS A 33 13.177 5.996 7.314 1.00 0.00 H new ATOM 552 N THR A 34 13.371 -0.488 3.434 1.00 0.00 N ATOM 553 CA THR A 34 13.363 -1.846 2.891 1.00 0.00 C ATOM 554 C THR A 34 13.607 -2.862 4.030 1.00 0.00 C ATOM 555 O THR A 34 14.406 -2.597 4.937 1.00 0.00 O ATOM 556 CB THR A 34 14.470 -1.969 1.791 1.00 0.00 C ATOM 557 OG1 THR A 34 14.457 -0.800 0.961 1.00 0.00 O ATOM 558 CG2 THR A 34 14.278 -3.196 0.897 1.00 0.00 C ATOM 0 H THR A 34 14.302 -0.159 3.688 1.00 0.00 H new ATOM 0 HA THR A 34 12.394 -2.060 2.440 1.00 0.00 H new ATOM 0 HB THR A 34 15.422 -2.073 2.312 1.00 0.00 H new ATOM 0 HG1 THR A 34 13.761 -0.892 0.278 1.00 0.00 H new ATOM 0 HG21 THR A 34 15.073 -3.232 0.152 1.00 0.00 H new ATOM 0 HG22 THR A 34 14.311 -4.099 1.507 1.00 0.00 H new ATOM 0 HG23 THR A 34 13.313 -3.132 0.394 1.00 0.00 H new ATOM 566 N LEU A 35 12.895 -4.000 3.989 1.00 0.00 N ATOM 567 CA LEU A 35 13.022 -5.077 4.994 1.00 0.00 C ATOM 568 C LEU A 35 12.630 -6.436 4.387 1.00 0.00 C ATOM 569 O LEU A 35 11.937 -6.490 3.363 1.00 0.00 O ATOM 570 CB LEU A 35 12.178 -4.798 6.283 1.00 0.00 C ATOM 571 CG LEU A 35 10.613 -4.701 6.132 1.00 0.00 C ATOM 572 CD1 LEU A 35 9.906 -4.785 7.503 1.00 0.00 C ATOM 573 CD2 LEU A 35 10.184 -3.417 5.381 1.00 0.00 C ATOM 0 H LEU A 35 12.213 -4.203 3.258 1.00 0.00 H new ATOM 0 HA LEU A 35 14.070 -5.105 5.293 1.00 0.00 H new ATOM 0 HB2 LEU A 35 12.396 -5.587 7.003 1.00 0.00 H new ATOM 0 HB3 LEU A 35 12.531 -3.863 6.718 1.00 0.00 H new ATOM 0 HG LEU A 35 10.302 -5.558 5.534 1.00 0.00 H new ATOM 0 HD11 LEU A 35 8.828 -4.715 7.361 1.00 0.00 H new ATOM 0 HD12 LEU A 35 10.148 -5.735 7.980 1.00 0.00 H new ATOM 0 HD13 LEU A 35 10.243 -3.965 8.137 1.00 0.00 H new ATOM 0 HD21 LEU A 35 9.097 -3.390 5.299 1.00 0.00 H new ATOM 0 HD22 LEU A 35 10.528 -2.541 5.931 1.00 0.00 H new ATOM 0 HD23 LEU A 35 10.624 -3.415 4.384 1.00 0.00 H new ATOM 585 N TRP A 36 13.119 -7.524 5.014 1.00 0.00 N ATOM 586 CA TRP A 36 12.812 -8.912 4.622 1.00 0.00 C ATOM 587 C TRP A 36 11.303 -9.226 4.734 1.00 0.00 C ATOM 588 O TRP A 36 10.603 -8.686 5.608 1.00 0.00 O ATOM 589 CB TRP A 36 13.627 -9.890 5.503 1.00 0.00 C ATOM 590 CG TRP A 36 15.118 -9.598 5.542 1.00 0.00 C ATOM 591 CD1 TRP A 36 15.854 -9.202 6.627 1.00 0.00 C ATOM 592 CD2 TRP A 36 16.035 -9.652 4.442 1.00 0.00 C ATOM 593 NE1 TRP A 36 17.169 -9.039 6.269 1.00 0.00 N ATOM 594 CE2 TRP A 36 17.308 -9.302 4.934 1.00 0.00 C ATOM 595 CE3 TRP A 36 15.905 -9.975 3.094 1.00 0.00 C ATOM 596 CZ2 TRP A 36 18.439 -9.269 4.122 1.00 0.00 C ATOM 597 CZ3 TRP A 36 17.018 -9.927 2.286 1.00 0.00 C ATOM 598 CH2 TRP A 36 18.275 -9.579 2.800 1.00 0.00 C ATOM 0 H TRP A 36 13.746 -7.462 5.816 1.00 0.00 H new ATOM 0 HA TRP A 36 13.091 -9.035 3.575 1.00 0.00 H new ATOM 0 HB2 TRP A 36 13.235 -9.858 6.520 1.00 0.00 H new ATOM 0 HB3 TRP A 36 13.476 -10.905 5.135 1.00 0.00 H new ATOM 0 HD1 TRP A 36 15.458 -9.042 7.619 1.00 0.00 H new ATOM 0 HE1 TRP A 36 17.923 -8.765 6.899 1.00 0.00 H new ATOM 0 HE3 TRP A 36 14.945 -10.259 2.689 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 19.408 -9.009 4.521 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 16.921 -10.162 1.236 1.00 0.00 H new ATOM 0 HH2 TRP A 36 19.130 -9.555 2.140 1.00 0.00 H new ATOM 609 N ALA A 37 10.827 -10.131 3.857 1.00 0.00 N ATOM 610 CA ALA A 37 9.401 -10.474 3.742 1.00 0.00 C ATOM 611 C ALA A 37 9.210 -11.874 3.163 1.00 0.00 C ATOM 612 O ALA A 37 10.150 -12.501 2.680 1.00 0.00 O ATOM 613 CB ALA A 37 8.679 -9.441 2.873 1.00 0.00 C ATOM 0 H ALA A 37 11.424 -10.644 3.208 1.00 0.00 H new ATOM 0 HA ALA A 37 8.971 -10.464 4.744 1.00 0.00 H new ATOM 0 HB1 ALA A 37 7.624 -9.705 2.795 1.00 0.00 H new ATOM 0 HB2 ALA A 37 8.774 -8.454 3.326 1.00 0.00 H new ATOM 0 HB3 ALA A 37 9.124 -9.427 1.878 1.00 0.00 H new ATOM 619 N SER A 38 7.968 -12.349 3.228 1.00 0.00 N ATOM 620 CA SER A 38 7.546 -13.620 2.651 1.00 0.00 C ATOM 621 C SER A 38 6.313 -13.331 1.792 1.00 0.00 C ATOM 622 O SER A 38 5.188 -13.258 2.290 1.00 0.00 O ATOM 623 CB SER A 38 7.251 -14.645 3.773 1.00 0.00 C ATOM 624 OG SER A 38 7.066 -15.941 3.244 1.00 0.00 O ATOM 0 H SER A 38 7.211 -11.848 3.694 1.00 0.00 H new ATOM 0 HA SER A 38 8.328 -14.061 2.033 1.00 0.00 H new ATOM 0 HB2 SER A 38 8.075 -14.655 4.486 1.00 0.00 H new ATOM 0 HB3 SER A 38 6.359 -14.342 4.321 1.00 0.00 H new ATOM 0 HG SER A 38 6.883 -16.569 3.974 1.00 0.00 H new ATOM 630 N VAL A 39 6.564 -13.054 0.510 1.00 0.00 N ATOM 631 CA VAL A 39 5.520 -12.713 -0.467 1.00 0.00 C ATOM 632 C VAL A 39 4.786 -13.992 -0.897 1.00 0.00 C ATOM 633 O VAL A 39 5.271 -14.756 -1.739 1.00 0.00 O ATOM 634 CB VAL A 39 6.130 -11.952 -1.703 1.00 0.00 C ATOM 635 CG1 VAL A 39 5.048 -11.542 -2.738 1.00 0.00 C ATOM 636 CG2 VAL A 39 6.951 -10.733 -1.216 1.00 0.00 C ATOM 0 H VAL A 39 7.504 -13.059 0.115 1.00 0.00 H new ATOM 0 HA VAL A 39 4.801 -12.038 -0.002 1.00 0.00 H new ATOM 0 HB VAL A 39 6.798 -12.637 -2.225 1.00 0.00 H new ATOM 0 HG11 VAL A 39 5.520 -11.021 -3.571 1.00 0.00 H new ATOM 0 HG12 VAL A 39 4.542 -12.434 -3.108 1.00 0.00 H new ATOM 0 HG13 VAL A 39 4.321 -10.883 -2.263 1.00 0.00 H new ATOM 0 HG21 VAL A 39 7.371 -10.210 -2.075 1.00 0.00 H new ATOM 0 HG22 VAL A 39 6.302 -10.056 -0.661 1.00 0.00 H new ATOM 0 HG23 VAL A 39 7.759 -11.074 -0.569 1.00 0.00 H new ATOM 646 N ASN A 40 3.649 -14.243 -0.244 1.00 0.00 N ATOM 647 CA ASN A 40 2.812 -15.425 -0.487 1.00 0.00 C ATOM 648 C ASN A 40 1.535 -15.005 -1.227 1.00 0.00 C ATOM 649 O ASN A 40 0.602 -14.477 -0.612 1.00 0.00 O ATOM 650 CB ASN A 40 2.441 -16.136 0.856 1.00 0.00 C ATOM 651 CG ASN A 40 3.657 -16.551 1.679 1.00 0.00 C ATOM 652 OD1 ASN A 40 4.245 -17.604 1.451 1.00 0.00 O ATOM 653 ND2 ASN A 40 4.022 -15.742 2.662 1.00 0.00 N ATOM 0 H ASN A 40 3.277 -13.625 0.477 1.00 0.00 H new ATOM 0 HA ASN A 40 3.376 -16.129 -1.099 1.00 0.00 H new ATOM 0 HB2 ASN A 40 1.819 -15.468 1.452 1.00 0.00 H new ATOM 0 HB3 ASN A 40 1.841 -17.019 0.637 1.00 0.00 H new ATOM 0 HD21 ASN A 40 4.814 -15.987 3.257 1.00 0.00 H new ATOM 0 HD22 ASN A 40 3.511 -14.874 2.824 1.00 0.00 H new ATOM 660 N MET A 41 1.512 -15.196 -2.557 1.00 0.00 N ATOM 661 CA MET A 41 0.287 -14.998 -3.344 1.00 0.00 C ATOM 662 C MET A 41 -0.685 -16.151 -3.070 1.00 0.00 C ATOM 663 O MET A 41 -0.267 -17.307 -2.940 1.00 0.00 O ATOM 664 CB MET A 41 0.575 -14.892 -4.858 1.00 0.00 C ATOM 665 CG MET A 41 1.351 -13.643 -5.280 1.00 0.00 C ATOM 666 SD MET A 41 1.155 -13.270 -7.037 1.00 0.00 S ATOM 667 CE MET A 41 -0.601 -12.877 -7.138 1.00 0.00 C ATOM 0 H MET A 41 2.322 -15.485 -3.105 1.00 0.00 H new ATOM 0 HA MET A 41 -0.159 -14.052 -3.037 1.00 0.00 H new ATOM 0 HB2 MET A 41 1.136 -15.773 -5.169 1.00 0.00 H new ATOM 0 HB3 MET A 41 -0.373 -14.912 -5.396 1.00 0.00 H new ATOM 0 HG2 MET A 41 1.011 -12.791 -4.691 1.00 0.00 H new ATOM 0 HG3 MET A 41 2.409 -13.783 -5.057 1.00 0.00 H new ATOM 0 HE1 MET A 41 -1.096 -13.591 -7.796 1.00 0.00 H new ATOM 0 HE2 MET A 41 -1.044 -12.933 -6.144 1.00 0.00 H new ATOM 0 HE3 MET A 41 -0.726 -11.870 -7.535 1.00 0.00 H new ATOM 677 N VAL A 42 -1.973 -15.821 -3.005 1.00 0.00 N ATOM 678 CA VAL A 42 -3.025 -16.745 -2.567 1.00 0.00 C ATOM 679 C VAL A 42 -3.434 -17.737 -3.669 1.00 0.00 C ATOM 680 O VAL A 42 -3.180 -17.520 -4.859 1.00 0.00 O ATOM 681 CB VAL A 42 -4.288 -15.962 -2.072 1.00 0.00 C ATOM 682 CG1 VAL A 42 -3.928 -15.024 -0.893 1.00 0.00 C ATOM 683 CG2 VAL A 42 -4.991 -15.199 -3.237 1.00 0.00 C ATOM 0 H VAL A 42 -2.323 -14.896 -3.257 1.00 0.00 H new ATOM 0 HA VAL A 42 -2.605 -17.318 -1.740 1.00 0.00 H new ATOM 0 HB VAL A 42 -5.009 -16.691 -1.702 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -4.821 -14.491 -0.566 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -3.535 -15.614 -0.065 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -3.175 -14.306 -1.216 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -5.862 -14.669 -2.852 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -4.295 -14.483 -3.675 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -5.307 -15.911 -3.999 1.00 0.00 H new ATOM 693 N SER A 43 -4.046 -18.838 -3.236 1.00 0.00 N ATOM 694 CA SER A 43 -4.695 -19.810 -4.123 1.00 0.00 C ATOM 695 C SER A 43 -6.192 -19.454 -4.255 1.00 0.00 C ATOM 696 O SER A 43 -6.656 -18.467 -3.672 1.00 0.00 O ATOM 697 CB SER A 43 -4.510 -21.224 -3.525 1.00 0.00 C ATOM 698 OG SER A 43 -3.145 -21.495 -3.266 1.00 0.00 O ATOM 0 H SER A 43 -4.107 -19.086 -2.248 1.00 0.00 H new ATOM 0 HA SER A 43 -4.248 -19.786 -5.117 1.00 0.00 H new ATOM 0 HB2 SER A 43 -5.082 -21.309 -2.601 1.00 0.00 H new ATOM 0 HB3 SER A 43 -4.907 -21.969 -4.215 1.00 0.00 H new ATOM 0 HG SER A 43 -3.056 -22.394 -2.887 1.00 0.00 H new ATOM 704 N SER A 44 -6.939 -20.270 -5.012 1.00 0.00 N ATOM 705 CA SER A 44 -8.399 -20.107 -5.175 1.00 0.00 C ATOM 706 C SER A 44 -9.160 -20.504 -3.894 1.00 0.00 C ATOM 707 O SER A 44 -10.291 -20.063 -3.685 1.00 0.00 O ATOM 708 CB SER A 44 -8.886 -20.951 -6.375 1.00 0.00 C ATOM 709 OG SER A 44 -8.466 -22.299 -6.257 1.00 0.00 O ATOM 0 H SER A 44 -6.554 -21.061 -5.529 1.00 0.00 H new ATOM 0 HA SER A 44 -8.606 -19.054 -5.365 1.00 0.00 H new ATOM 0 HB2 SER A 44 -9.974 -20.910 -6.434 1.00 0.00 H new ATOM 0 HB3 SER A 44 -8.500 -20.527 -7.302 1.00 0.00 H new ATOM 0 HG SER A 44 -8.789 -22.811 -7.028 1.00 0.00 H new ATOM 715 N LYS A 45 -8.500 -21.316 -3.038 1.00 0.00 N ATOM 716 CA LYS A 45 -9.095 -21.901 -1.814 1.00 0.00 C ATOM 717 C LYS A 45 -9.729 -20.845 -0.881 1.00 0.00 C ATOM 718 O LYS A 45 -10.825 -21.062 -0.355 1.00 0.00 O ATOM 719 CB LYS A 45 -8.026 -22.710 -1.029 1.00 0.00 C ATOM 720 CG LYS A 45 -6.804 -21.883 -0.553 1.00 0.00 C ATOM 721 CD LYS A 45 -5.893 -22.651 0.427 1.00 0.00 C ATOM 722 CE LYS A 45 -6.612 -23.039 1.733 1.00 0.00 C ATOM 723 NZ LYS A 45 -5.721 -23.765 2.666 1.00 0.00 N ATOM 0 H LYS A 45 -7.527 -21.587 -3.179 1.00 0.00 H new ATOM 0 HA LYS A 45 -9.897 -22.559 -2.148 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -8.501 -23.164 -0.159 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -7.672 -23.525 -1.660 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -6.219 -21.580 -1.421 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -7.156 -20.971 -0.072 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -5.522 -23.553 -0.060 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -5.024 -22.037 0.665 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -6.989 -22.139 2.219 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -7.476 -23.661 1.499 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -6.246 -24.006 3.531 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -5.381 -24.637 2.213 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -4.909 -23.162 2.911 1.00 0.00 H new ATOM 737 N GLU A 46 -9.039 -19.698 -0.713 1.00 0.00 N ATOM 738 CA GLU A 46 -9.424 -18.649 0.257 1.00 0.00 C ATOM 739 C GLU A 46 -10.595 -17.799 -0.287 1.00 0.00 C ATOM 740 O GLU A 46 -11.430 -17.311 0.488 1.00 0.00 O ATOM 741 CB GLU A 46 -8.179 -17.786 0.650 1.00 0.00 C ATOM 742 CG GLU A 46 -7.323 -17.239 -0.527 1.00 0.00 C ATOM 743 CD GLU A 46 -7.819 -15.925 -1.170 1.00 0.00 C ATOM 744 OE1 GLU A 46 -7.562 -14.836 -0.598 1.00 0.00 O ATOM 745 OE2 GLU A 46 -8.417 -15.970 -2.261 1.00 0.00 O ATOM 0 H GLU A 46 -8.199 -19.472 -1.246 1.00 0.00 H new ATOM 0 HA GLU A 46 -9.784 -19.123 1.170 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -8.523 -16.940 1.245 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -7.535 -18.387 1.292 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -6.305 -17.084 -0.169 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -7.275 -18.004 -1.302 1.00 0.00 H new ATOM 752 N ALA A 47 -10.633 -17.642 -1.628 1.00 0.00 N ATOM 753 CA ALA A 47 -11.751 -16.994 -2.346 1.00 0.00 C ATOM 754 C ALA A 47 -13.047 -17.795 -2.151 1.00 0.00 C ATOM 755 O ALA A 47 -14.096 -17.244 -1.822 1.00 0.00 O ATOM 756 CB ALA A 47 -11.423 -16.872 -3.849 1.00 0.00 C ATOM 0 H ALA A 47 -9.886 -17.962 -2.245 1.00 0.00 H new ATOM 0 HA ALA A 47 -11.893 -15.994 -1.936 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -12.255 -16.393 -4.365 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -10.522 -16.272 -3.977 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -11.260 -17.865 -4.268 1.00 0.00 H new ATOM 762 N ILE A 48 -12.923 -19.116 -2.336 1.00 0.00 N ATOM 763 CA ILE A 48 -14.030 -20.075 -2.200 1.00 0.00 C ATOM 764 C ILE A 48 -14.477 -20.196 -0.716 1.00 0.00 C ATOM 765 O ILE A 48 -15.672 -20.346 -0.421 1.00 0.00 O ATOM 766 CB ILE A 48 -13.594 -21.480 -2.781 1.00 0.00 C ATOM 767 CG1 ILE A 48 -13.175 -21.341 -4.291 1.00 0.00 C ATOM 768 CG2 ILE A 48 -14.700 -22.552 -2.605 1.00 0.00 C ATOM 769 CD1 ILE A 48 -12.555 -22.588 -4.909 1.00 0.00 C ATOM 0 H ILE A 48 -12.038 -19.556 -2.588 1.00 0.00 H new ATOM 0 HA ILE A 48 -14.885 -19.712 -2.771 1.00 0.00 H new ATOM 0 HB ILE A 48 -12.731 -21.821 -2.209 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -14.055 -21.066 -4.872 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -12.465 -20.519 -4.380 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -14.357 -23.500 -3.018 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -14.920 -22.677 -1.545 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -15.602 -22.234 -3.128 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -12.301 -22.390 -5.950 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -11.652 -22.856 -4.360 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -13.267 -23.411 -4.859 1.00 0.00 H new ATOM 781 N SER A 49 -13.497 -20.086 0.202 1.00 0.00 N ATOM 782 CA SER A 49 -13.719 -20.189 1.658 1.00 0.00 C ATOM 783 C SER A 49 -14.516 -18.981 2.190 1.00 0.00 C ATOM 784 O SER A 49 -15.522 -19.146 2.892 1.00 0.00 O ATOM 785 CB SER A 49 -12.356 -20.304 2.385 1.00 0.00 C ATOM 786 OG SER A 49 -12.508 -20.426 3.789 1.00 0.00 O ATOM 0 H SER A 49 -12.522 -19.922 -0.048 1.00 0.00 H new ATOM 0 HA SER A 49 -14.309 -21.084 1.855 1.00 0.00 H new ATOM 0 HB2 SER A 49 -11.814 -21.169 2.003 1.00 0.00 H new ATOM 0 HB3 SER A 49 -11.751 -19.425 2.161 1.00 0.00 H new ATOM 0 HG SER A 49 -11.625 -20.497 4.209 1.00 0.00 H new ATOM 792 N SER A 50 -14.072 -17.770 1.822 1.00 0.00 N ATOM 793 CA SER A 50 -14.656 -16.504 2.314 1.00 0.00 C ATOM 794 C SER A 50 -15.740 -15.963 1.358 1.00 0.00 C ATOM 795 O SER A 50 -16.289 -14.880 1.595 1.00 0.00 O ATOM 796 CB SER A 50 -13.529 -15.466 2.501 1.00 0.00 C ATOM 797 OG SER A 50 -12.508 -15.954 3.348 1.00 0.00 O ATOM 0 H SER A 50 -13.296 -17.636 1.173 1.00 0.00 H new ATOM 0 HA SER A 50 -15.142 -16.696 3.270 1.00 0.00 H new ATOM 0 HB2 SER A 50 -13.105 -15.209 1.530 1.00 0.00 H new ATOM 0 HB3 SER A 50 -13.944 -14.549 2.921 1.00 0.00 H new ATOM 0 HG SER A 50 -11.988 -15.202 3.701 1.00 0.00 H new ATOM 803 N GLY A 51 -16.013 -16.703 0.261 1.00 0.00 N ATOM 804 CA GLY A 51 -17.075 -16.356 -0.690 1.00 0.00 C ATOM 805 C GLY A 51 -16.662 -15.223 -1.631 1.00 0.00 C ATOM 806 O GLY A 51 -16.267 -15.469 -2.774 1.00 0.00 O ATOM 0 H GLY A 51 -15.503 -17.552 0.017 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -17.336 -17.236 -1.277 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -17.970 -16.062 -0.141 1.00 0.00 H new ATOM 810 N ALA A 52 -16.725 -13.982 -1.125 1.00 0.00 N ATOM 811 CA ALA A 52 -16.380 -12.759 -1.885 1.00 0.00 C ATOM 812 C ALA A 52 -15.431 -11.853 -1.082 1.00 0.00 C ATOM 813 O ALA A 52 -14.800 -10.961 -1.664 1.00 0.00 O ATOM 814 CB ALA A 52 -17.659 -11.990 -2.272 1.00 0.00 C ATOM 0 H ALA A 52 -17.019 -13.792 -0.167 1.00 0.00 H new ATOM 0 HA ALA A 52 -15.863 -13.063 -2.795 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -17.390 -11.093 -2.830 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -18.293 -12.626 -2.890 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -18.200 -11.706 -1.369 1.00 0.00 H new ATOM 820 N GLU A 53 -15.355 -12.079 0.255 1.00 0.00 N ATOM 821 CA GLU A 53 -14.468 -11.308 1.163 1.00 0.00 C ATOM 822 C GLU A 53 -13.000 -11.409 0.707 1.00 0.00 C ATOM 823 O GLU A 53 -12.292 -10.398 0.585 1.00 0.00 O ATOM 824 CB GLU A 53 -14.616 -11.805 2.622 1.00 0.00 C ATOM 825 CG GLU A 53 -13.580 -11.229 3.606 1.00 0.00 C ATOM 826 CD GLU A 53 -13.815 -11.677 5.051 1.00 0.00 C ATOM 827 OE1 GLU A 53 -13.333 -12.765 5.441 1.00 0.00 O ATOM 828 OE2 GLU A 53 -14.497 -10.949 5.800 1.00 0.00 O ATOM 0 H GLU A 53 -15.903 -12.796 0.731 1.00 0.00 H new ATOM 0 HA GLU A 53 -14.769 -10.261 1.123 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -15.615 -11.552 2.978 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -14.540 -12.892 2.631 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -12.581 -11.535 3.294 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -13.609 -10.140 3.560 1.00 0.00 H new ATOM 835 N LEU A 54 -12.561 -12.649 0.479 1.00 0.00 N ATOM 836 CA LEU A 54 -11.266 -12.942 -0.137 1.00 0.00 C ATOM 837 C LEU A 54 -11.490 -13.338 -1.595 1.00 0.00 C ATOM 838 O LEU A 54 -12.600 -13.753 -1.979 1.00 0.00 O ATOM 839 CB LEU A 54 -10.521 -14.036 0.667 1.00 0.00 C ATOM 840 CG LEU A 54 -10.017 -13.605 2.083 1.00 0.00 C ATOM 841 CD1 LEU A 54 -9.304 -14.768 2.805 1.00 0.00 C ATOM 842 CD2 LEU A 54 -9.105 -12.356 1.992 1.00 0.00 C ATOM 0 H LEU A 54 -13.098 -13.483 0.718 1.00 0.00 H new ATOM 0 HA LEU A 54 -10.630 -12.057 -0.120 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -11.185 -14.893 0.782 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -9.665 -14.372 0.082 1.00 0.00 H new ATOM 0 HG LEU A 54 -10.890 -13.338 2.678 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -8.966 -14.435 3.786 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -9.996 -15.602 2.923 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -8.445 -15.090 2.216 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -8.769 -12.078 2.991 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -8.241 -12.581 1.368 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -9.663 -11.529 1.554 1.00 0.00 H new ATOM 854 N ALA A 55 -10.438 -13.196 -2.398 1.00 0.00 N ATOM 855 CA ALA A 55 -10.511 -13.336 -3.855 1.00 0.00 C ATOM 856 C ALA A 55 -9.130 -13.653 -4.425 1.00 0.00 C ATOM 857 O ALA A 55 -8.105 -13.290 -3.826 1.00 0.00 O ATOM 858 CB ALA A 55 -11.091 -12.060 -4.490 1.00 0.00 C ATOM 0 H ALA A 55 -9.502 -12.979 -2.055 1.00 0.00 H new ATOM 0 HA ALA A 55 -11.177 -14.164 -4.096 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -11.138 -12.181 -5.572 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -12.094 -11.883 -4.101 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -10.453 -11.210 -4.248 1.00 0.00 H new ATOM 864 N ILE A 56 -9.115 -14.329 -5.581 1.00 0.00 N ATOM 865 CA ILE A 56 -7.875 -14.681 -6.285 1.00 0.00 C ATOM 866 C ILE A 56 -7.181 -13.384 -6.760 1.00 0.00 C ATOM 867 O ILE A 56 -7.827 -12.532 -7.385 1.00 0.00 O ATOM 868 CB ILE A 56 -8.153 -15.623 -7.521 1.00 0.00 C ATOM 869 CG1 ILE A 56 -9.081 -16.820 -7.121 1.00 0.00 C ATOM 870 CG2 ILE A 56 -6.827 -16.133 -8.137 1.00 0.00 C ATOM 871 CD1 ILE A 56 -9.510 -17.710 -8.280 1.00 0.00 C ATOM 0 H ILE A 56 -9.961 -14.647 -6.054 1.00 0.00 H new ATOM 0 HA ILE A 56 -7.230 -15.225 -5.595 1.00 0.00 H new ATOM 0 HB ILE A 56 -8.673 -15.036 -8.278 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -8.563 -17.433 -6.383 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -9.973 -16.424 -6.636 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -7.046 -16.780 -8.987 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -6.231 -15.284 -8.471 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -6.270 -16.695 -7.387 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -10.149 -18.510 -7.907 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -10.060 -17.117 -9.010 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -8.628 -18.141 -8.753 1.00 0.00 H new ATOM 883 N GLY A 57 -5.893 -13.231 -6.430 1.00 0.00 N ATOM 884 CA GLY A 57 -5.137 -12.003 -6.733 1.00 0.00 C ATOM 885 C GLY A 57 -4.671 -11.271 -5.477 1.00 0.00 C ATOM 886 O GLY A 57 -3.903 -10.298 -5.568 1.00 0.00 O ATOM 0 H GLY A 57 -5.347 -13.946 -5.950 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -4.270 -12.257 -7.343 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -5.761 -11.335 -7.327 1.00 0.00 H new ATOM 890 N THR A 58 -5.151 -11.731 -4.302 1.00 0.00 N ATOM 891 CA THR A 58 -4.680 -11.250 -2.992 1.00 0.00 C ATOM 892 C THR A 58 -3.224 -11.726 -2.765 1.00 0.00 C ATOM 893 O THR A 58 -2.857 -12.842 -3.147 1.00 0.00 O ATOM 894 CB THR A 58 -5.613 -11.753 -1.827 1.00 0.00 C ATOM 895 OG1 THR A 58 -6.977 -11.386 -2.093 1.00 0.00 O ATOM 896 CG2 THR A 58 -5.205 -11.204 -0.443 1.00 0.00 C ATOM 0 H THR A 58 -5.876 -12.446 -4.238 1.00 0.00 H new ATOM 0 HA THR A 58 -4.712 -10.160 -2.988 1.00 0.00 H new ATOM 0 HB THR A 58 -5.505 -12.837 -1.794 1.00 0.00 H new ATOM 0 HG1 THR A 58 -7.385 -12.051 -2.686 1.00 0.00 H new ATOM 0 HG21 THR A 58 -5.887 -11.588 0.316 1.00 0.00 H new ATOM 0 HG22 THR A 58 -4.188 -11.521 -0.211 1.00 0.00 H new ATOM 0 HG23 THR A 58 -5.251 -10.115 -0.455 1.00 0.00 H new ATOM 904 N VAL A 59 -2.387 -10.849 -2.201 1.00 0.00 N ATOM 905 CA VAL A 59 -0.972 -11.137 -1.944 1.00 0.00 C ATOM 906 C VAL A 59 -0.670 -10.906 -0.452 1.00 0.00 C ATOM 907 O VAL A 59 -0.576 -9.761 0.000 1.00 0.00 O ATOM 908 CB VAL A 59 -0.022 -10.248 -2.831 1.00 0.00 C ATOM 909 CG1 VAL A 59 1.453 -10.691 -2.673 1.00 0.00 C ATOM 910 CG2 VAL A 59 -0.459 -10.250 -4.321 1.00 0.00 C ATOM 0 H VAL A 59 -2.673 -9.915 -1.908 1.00 0.00 H new ATOM 0 HA VAL A 59 -0.783 -12.178 -2.207 1.00 0.00 H new ATOM 0 HB VAL A 59 -0.104 -9.221 -2.476 1.00 0.00 H new ATOM 0 HG11 VAL A 59 2.090 -10.063 -3.295 1.00 0.00 H new ATOM 0 HG12 VAL A 59 1.753 -10.592 -1.630 1.00 0.00 H new ATOM 0 HG13 VAL A 59 1.556 -11.731 -2.983 1.00 0.00 H new ATOM 0 HG21 VAL A 59 0.221 -9.626 -4.900 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -0.433 -11.269 -4.706 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -1.472 -9.857 -4.404 1.00 0.00 H new ATOM 920 N ARG A 60 -0.561 -12.005 0.301 1.00 0.00 N ATOM 921 CA ARG A 60 -0.213 -11.979 1.732 1.00 0.00 C ATOM 922 C ARG A 60 1.314 -11.852 1.859 1.00 0.00 C ATOM 923 O ARG A 60 2.033 -12.842 1.707 1.00 0.00 O ATOM 924 CB ARG A 60 -0.707 -13.281 2.425 1.00 0.00 C ATOM 925 CG ARG A 60 -2.221 -13.543 2.310 1.00 0.00 C ATOM 926 CD ARG A 60 -2.601 -14.970 2.746 1.00 0.00 C ATOM 927 NE ARG A 60 -2.445 -15.202 4.194 1.00 0.00 N ATOM 928 CZ ARG A 60 -2.631 -16.380 4.815 1.00 0.00 C ATOM 929 NH1 ARG A 60 -2.919 -17.481 4.133 1.00 0.00 N ATOM 930 NH2 ARG A 60 -2.535 -16.443 6.135 1.00 0.00 N ATOM 0 H ARG A 60 -0.712 -12.945 -0.064 1.00 0.00 H new ATOM 0 HA ARG A 60 -0.695 -11.131 2.219 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -0.173 -14.129 1.996 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -0.440 -13.237 3.481 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -2.760 -12.822 2.924 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -2.538 -13.384 1.279 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -3.636 -15.164 2.464 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -1.983 -15.685 2.203 1.00 0.00 H new ATOM 0 HE ARG A 60 -2.174 -14.405 4.770 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -3.003 -17.444 3.117 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -3.056 -18.364 4.625 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -2.322 -15.602 6.672 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -2.675 -17.332 6.615 1.00 0.00 H new ATOM 944 N ILE A 61 1.804 -10.630 2.096 1.00 0.00 N ATOM 945 CA ILE A 61 3.241 -10.367 2.274 1.00 0.00 C ATOM 946 C ILE A 61 3.528 -10.289 3.776 1.00 0.00 C ATOM 947 O ILE A 61 3.172 -9.322 4.444 1.00 0.00 O ATOM 948 CB ILE A 61 3.670 -9.037 1.550 1.00 0.00 C ATOM 949 CG1 ILE A 61 3.334 -9.136 0.028 1.00 0.00 C ATOM 950 CG2 ILE A 61 5.170 -8.721 1.789 1.00 0.00 C ATOM 951 CD1 ILE A 61 3.637 -7.897 -0.792 1.00 0.00 C ATOM 0 H ILE A 61 1.220 -9.797 2.170 1.00 0.00 H new ATOM 0 HA ILE A 61 3.821 -11.173 1.825 1.00 0.00 H new ATOM 0 HB ILE A 61 3.106 -8.207 1.975 1.00 0.00 H new ATOM 0 HG12 ILE A 61 3.889 -9.974 -0.394 1.00 0.00 H new ATOM 0 HG13 ILE A 61 2.275 -9.369 -0.077 1.00 0.00 H new ATOM 0 HG21 ILE A 61 5.433 -7.796 1.275 1.00 0.00 H new ATOM 0 HG22 ILE A 61 5.352 -8.607 2.858 1.00 0.00 H new ATOM 0 HG23 ILE A 61 5.780 -9.537 1.402 1.00 0.00 H new ATOM 0 HD11 ILE A 61 3.366 -8.074 -1.833 1.00 0.00 H new ATOM 0 HD12 ILE A 61 3.062 -7.055 -0.406 1.00 0.00 H new ATOM 0 HD13 ILE A 61 4.701 -7.669 -0.728 1.00 0.00 H new ATOM 963 N TRP A 62 4.168 -11.341 4.291 1.00 0.00 N ATOM 964 CA TRP A 62 4.432 -11.507 5.723 1.00 0.00 C ATOM 965 C TRP A 62 5.764 -10.832 6.059 1.00 0.00 C ATOM 966 O TRP A 62 6.814 -11.277 5.598 1.00 0.00 O ATOM 967 CB TRP A 62 4.501 -13.025 6.079 1.00 0.00 C ATOM 968 CG TRP A 62 3.259 -13.863 5.786 1.00 0.00 C ATOM 969 CD1 TRP A 62 2.314 -13.687 4.807 1.00 0.00 C ATOM 970 CD2 TRP A 62 2.880 -15.065 6.468 1.00 0.00 C ATOM 971 NE1 TRP A 62 1.375 -14.679 4.868 1.00 0.00 N ATOM 972 CE2 TRP A 62 1.693 -15.532 5.881 1.00 0.00 C ATOM 973 CE3 TRP A 62 3.420 -15.770 7.539 1.00 0.00 C ATOM 974 CZ2 TRP A 62 1.049 -16.687 6.313 1.00 0.00 C ATOM 975 CZ3 TRP A 62 2.786 -16.915 7.973 1.00 0.00 C ATOM 976 CH2 TRP A 62 1.603 -17.362 7.366 1.00 0.00 C ATOM 0 H TRP A 62 4.521 -12.109 3.721 1.00 0.00 H new ATOM 0 HA TRP A 62 3.629 -11.050 6.302 1.00 0.00 H new ATOM 0 HB2 TRP A 62 5.340 -13.462 5.538 1.00 0.00 H new ATOM 0 HB3 TRP A 62 4.727 -13.114 7.142 1.00 0.00 H new ATOM 0 HD1 TRP A 62 2.312 -12.879 4.090 1.00 0.00 H new ATOM 0 HE1 TRP A 62 0.566 -14.766 4.253 1.00 0.00 H new ATOM 0 HE3 TRP A 62 4.322 -15.426 8.023 1.00 0.00 H new ATOM 0 HZ2 TRP A 62 0.146 -17.037 5.835 1.00 0.00 H new ATOM 0 HZ3 TRP A 62 3.207 -17.477 8.794 1.00 0.00 H new ATOM 0 HH2 TRP A 62 1.121 -18.255 7.736 1.00 0.00 H new ATOM 987 N ILE A 63 5.709 -9.758 6.849 1.00 0.00 N ATOM 988 CA ILE A 63 6.900 -9.080 7.396 1.00 0.00 C ATOM 989 C ILE A 63 6.925 -9.271 8.924 1.00 0.00 C ATOM 990 O ILE A 63 6.137 -10.055 9.471 1.00 0.00 O ATOM 991 CB ILE A 63 6.917 -7.541 7.031 1.00 0.00 C ATOM 992 CG1 ILE A 63 5.711 -6.772 7.670 1.00 0.00 C ATOM 993 CG2 ILE A 63 6.939 -7.348 5.498 1.00 0.00 C ATOM 994 CD1 ILE A 63 5.810 -5.253 7.581 1.00 0.00 C ATOM 0 H ILE A 63 4.830 -9.325 7.134 1.00 0.00 H new ATOM 0 HA ILE A 63 7.790 -9.524 6.950 1.00 0.00 H new ATOM 0 HB ILE A 63 7.829 -7.116 7.451 1.00 0.00 H new ATOM 0 HG12 ILE A 63 4.792 -7.093 7.180 1.00 0.00 H new ATOM 0 HG13 ILE A 63 5.630 -7.057 8.719 1.00 0.00 H new ATOM 0 HG21 ILE A 63 6.950 -6.283 5.265 1.00 0.00 H new ATOM 0 HG22 ILE A 63 7.831 -7.819 5.085 1.00 0.00 H new ATOM 0 HG23 ILE A 63 6.051 -7.805 5.061 1.00 0.00 H new ATOM 0 HD11 ILE A 63 4.934 -4.803 8.048 1.00 0.00 H new ATOM 0 HD12 ILE A 63 6.709 -4.916 8.097 1.00 0.00 H new ATOM 0 HD13 ILE A 63 5.858 -4.952 6.534 1.00 0.00 H new ATOM 1006 N ARG A 64 7.841 -8.571 9.608 1.00 0.00 N ATOM 1007 CA ARG A 64 7.882 -8.548 11.081 1.00 0.00 C ATOM 1008 C ARG A 64 6.958 -7.444 11.628 1.00 0.00 C ATOM 1009 O ARG A 64 6.629 -6.487 10.918 1.00 0.00 O ATOM 1010 CB ARG A 64 9.338 -8.378 11.579 1.00 0.00 C ATOM 1011 CG ARG A 64 10.213 -9.620 11.300 1.00 0.00 C ATOM 1012 CD ARG A 64 11.610 -9.545 11.932 1.00 0.00 C ATOM 1013 NE ARG A 64 12.226 -10.883 12.021 1.00 0.00 N ATOM 1014 CZ ARG A 64 13.451 -11.213 11.589 1.00 0.00 C ATOM 1015 NH1 ARG A 64 14.179 -10.355 10.876 1.00 0.00 N ATOM 1016 NH2 ARG A 64 13.927 -12.424 11.845 1.00 0.00 N ATOM 0 H ARG A 64 8.568 -8.010 9.164 1.00 0.00 H new ATOM 0 HA ARG A 64 7.514 -9.501 11.460 1.00 0.00 H new ATOM 0 HB2 ARG A 64 9.784 -7.509 11.095 1.00 0.00 H new ATOM 0 HB3 ARG A 64 9.330 -8.178 12.650 1.00 0.00 H new ATOM 0 HG2 ARG A 64 9.701 -10.506 11.676 1.00 0.00 H new ATOM 0 HG3 ARG A 64 10.318 -9.745 10.222 1.00 0.00 H new ATOM 0 HD2 ARG A 64 12.246 -8.887 11.339 1.00 0.00 H new ATOM 0 HD3 ARG A 64 11.539 -9.107 12.928 1.00 0.00 H new ATOM 0 HE ARG A 64 11.670 -11.623 12.450 1.00 0.00 H new ATOM 0 HH11 ARG A 64 13.806 -9.433 10.652 1.00 0.00 H new ATOM 0 HH12 ARG A 64 15.110 -10.620 10.554 1.00 0.00 H new ATOM 0 HH21 ARG A 64 13.362 -13.094 12.366 1.00 0.00 H new ATOM 0 HH22 ARG A 64 14.858 -12.685 11.521 1.00 0.00 H new ATOM 1030 N TYR A 65 6.560 -7.604 12.902 1.00 0.00 N ATOM 1031 CA TYR A 65 5.548 -6.762 13.576 1.00 0.00 C ATOM 1032 C TYR A 65 5.974 -5.274 13.632 1.00 0.00 C ATOM 1033 O TYR A 65 6.765 -4.877 14.497 1.00 0.00 O ATOM 1034 CB TYR A 65 5.295 -7.325 14.994 1.00 0.00 C ATOM 1035 CG TYR A 65 4.147 -6.651 15.781 1.00 0.00 C ATOM 1036 CD1 TYR A 65 2.810 -6.989 15.544 1.00 0.00 C ATOM 1037 CD2 TYR A 65 4.408 -5.707 16.784 1.00 0.00 C ATOM 1038 CE1 TYR A 65 1.790 -6.402 16.271 1.00 0.00 C ATOM 1039 CE2 TYR A 65 3.390 -5.137 17.513 1.00 0.00 C ATOM 1040 CZ TYR A 65 2.086 -5.486 17.253 1.00 0.00 C ATOM 1041 OH TYR A 65 1.077 -4.924 17.995 1.00 0.00 O ATOM 0 H TYR A 65 6.938 -8.334 13.506 1.00 0.00 H new ATOM 0 HA TYR A 65 4.624 -6.794 12.999 1.00 0.00 H new ATOM 0 HB2 TYR A 65 5.079 -8.390 14.910 1.00 0.00 H new ATOM 0 HB3 TYR A 65 6.214 -7.231 15.573 1.00 0.00 H new ATOM 0 HD1 TYR A 65 2.571 -7.718 14.783 1.00 0.00 H new ATOM 0 HD2 TYR A 65 5.429 -5.421 16.989 1.00 0.00 H new ATOM 0 HE1 TYR A 65 0.762 -6.663 16.068 1.00 0.00 H new ATOM 0 HE2 TYR A 65 3.615 -4.418 18.287 1.00 0.00 H new ATOM 0 HH TYR A 65 1.459 -4.299 18.646 1.00 0.00 H new ATOM 1051 N ARG A 66 5.466 -4.474 12.677 1.00 0.00 N ATOM 1052 CA ARG A 66 5.738 -3.024 12.594 1.00 0.00 C ATOM 1053 C ARG A 66 4.409 -2.245 12.679 1.00 0.00 C ATOM 1054 O ARG A 66 3.657 -2.171 11.704 1.00 0.00 O ATOM 1055 CB ARG A 66 6.509 -2.686 11.281 1.00 0.00 C ATOM 1056 CG ARG A 66 6.803 -1.178 11.080 1.00 0.00 C ATOM 1057 CD ARG A 66 7.619 -0.872 9.807 1.00 0.00 C ATOM 1058 NE ARG A 66 8.967 -1.466 9.845 1.00 0.00 N ATOM 1059 CZ ARG A 66 10.077 -0.930 9.319 1.00 0.00 C ATOM 1060 NH1 ARG A 66 10.048 0.230 8.676 1.00 0.00 N ATOM 1061 NH2 ARG A 66 11.226 -1.569 9.444 1.00 0.00 N ATOM 0 H ARG A 66 4.852 -4.815 11.937 1.00 0.00 H new ATOM 0 HA ARG A 66 6.370 -2.726 13.431 1.00 0.00 H new ATOM 0 HB2 ARG A 66 7.453 -3.231 11.278 1.00 0.00 H new ATOM 0 HB3 ARG A 66 5.930 -3.047 10.431 1.00 0.00 H new ATOM 0 HG2 ARG A 66 5.859 -0.635 11.035 1.00 0.00 H new ATOM 0 HG3 ARG A 66 7.345 -0.803 11.948 1.00 0.00 H new ATOM 0 HD2 ARG A 66 7.083 -1.250 8.936 1.00 0.00 H new ATOM 0 HD3 ARG A 66 7.704 0.208 9.685 1.00 0.00 H new ATOM 0 HE ARG A 66 9.064 -2.367 10.314 1.00 0.00 H new ATOM 0 HH11 ARG A 66 9.167 0.734 8.573 1.00 0.00 H new ATOM 0 HH12 ARG A 66 10.906 0.618 8.284 1.00 0.00 H new ATOM 0 HH21 ARG A 66 11.262 -2.461 9.937 1.00 0.00 H new ATOM 0 HH22 ARG A 66 12.077 -1.170 9.048 1.00 0.00 H new ATOM 1075 N LYS A 67 4.148 -1.630 13.845 1.00 0.00 N ATOM 1076 CA LYS A 67 2.902 -0.868 14.116 1.00 0.00 C ATOM 1077 C LYS A 67 2.799 0.448 13.300 1.00 0.00 C ATOM 1078 O LYS A 67 1.807 1.178 13.419 1.00 0.00 O ATOM 1079 CB LYS A 67 2.813 -0.546 15.626 1.00 0.00 C ATOM 1080 CG LYS A 67 2.667 -1.784 16.527 1.00 0.00 C ATOM 1081 CD LYS A 67 2.684 -1.439 18.032 1.00 0.00 C ATOM 1082 CE LYS A 67 1.558 -0.475 18.447 1.00 0.00 C ATOM 1083 NZ LYS A 67 1.595 -0.168 19.898 1.00 0.00 N ATOM 0 H LYS A 67 4.794 -1.643 14.634 1.00 0.00 H new ATOM 0 HA LYS A 67 2.070 -1.500 13.804 1.00 0.00 H new ATOM 0 HB2 LYS A 67 3.707 0.002 15.923 1.00 0.00 H new ATOM 0 HB3 LYS A 67 1.963 0.115 15.796 1.00 0.00 H new ATOM 0 HG2 LYS A 67 1.734 -2.293 16.287 1.00 0.00 H new ATOM 0 HG3 LYS A 67 3.476 -2.482 16.310 1.00 0.00 H new ATOM 0 HD2 LYS A 67 2.597 -2.359 18.610 1.00 0.00 H new ATOM 0 HD3 LYS A 67 3.646 -0.994 18.285 1.00 0.00 H new ATOM 0 HE2 LYS A 67 1.646 0.451 17.878 1.00 0.00 H new ATOM 0 HE3 LYS A 67 0.593 -0.914 18.194 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 0.820 0.484 20.135 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 1.486 -1.048 20.442 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 2.505 0.275 20.136 1.00 0.00 H new ATOM 1097 N ASP A 68 3.822 0.734 12.479 1.00 0.00 N ATOM 1098 CA ASP A 68 3.895 1.959 11.663 1.00 0.00 C ATOM 1099 C ASP A 68 3.294 1.723 10.267 1.00 0.00 C ATOM 1100 O ASP A 68 2.883 2.687 9.600 1.00 0.00 O ATOM 1101 CB ASP A 68 5.373 2.421 11.567 1.00 0.00 C ATOM 1102 CG ASP A 68 5.554 3.711 10.747 1.00 0.00 C ATOM 1103 OD1 ASP A 68 5.128 4.789 11.219 1.00 0.00 O ATOM 1104 OD2 ASP A 68 6.110 3.655 9.633 1.00 0.00 O ATOM 0 H ASP A 68 4.627 0.119 12.361 1.00 0.00 H new ATOM 0 HA ASP A 68 3.309 2.745 12.139 1.00 0.00 H new ATOM 0 HB2 ASP A 68 5.763 2.580 12.572 1.00 0.00 H new ATOM 0 HB3 ASP A 68 5.967 1.626 11.117 1.00 0.00 H new ATOM 1109 N ILE A 69 3.204 0.443 9.839 1.00 0.00 N ATOM 1110 CA ILE A 69 2.567 0.078 8.560 1.00 0.00 C ATOM 1111 C ILE A 69 1.070 0.400 8.654 1.00 0.00 C ATOM 1112 O ILE A 69 0.415 0.060 9.640 1.00 0.00 O ATOM 1113 CB ILE A 69 2.756 -1.441 8.170 1.00 0.00 C ATOM 1114 CG1 ILE A 69 4.268 -1.822 8.117 1.00 0.00 C ATOM 1115 CG2 ILE A 69 2.048 -1.763 6.817 1.00 0.00 C ATOM 1116 CD1 ILE A 69 5.085 -1.077 7.078 1.00 0.00 C ATOM 0 H ILE A 69 3.566 -0.353 10.364 1.00 0.00 H new ATOM 0 HA ILE A 69 3.055 0.658 7.776 1.00 0.00 H new ATOM 0 HB ILE A 69 2.287 -2.047 8.945 1.00 0.00 H new ATOM 0 HG12 ILE A 69 4.706 -1.642 9.099 1.00 0.00 H new ATOM 0 HG13 ILE A 69 4.350 -2.891 7.923 1.00 0.00 H new ATOM 0 HG21 ILE A 69 2.193 -2.815 6.572 1.00 0.00 H new ATOM 0 HG22 ILE A 69 0.982 -1.555 6.906 1.00 0.00 H new ATOM 0 HG23 ILE A 69 2.474 -1.144 6.027 1.00 0.00 H new ATOM 0 HD11 ILE A 69 6.121 -1.413 7.121 1.00 0.00 H new ATOM 0 HD12 ILE A 69 4.680 -1.276 6.086 1.00 0.00 H new ATOM 0 HD13 ILE A 69 5.042 -0.007 7.280 1.00 0.00 H new ATOM 1128 N ASN A 70 0.578 1.135 7.669 1.00 0.00 N ATOM 1129 CA ASN A 70 -0.828 1.550 7.556 1.00 0.00 C ATOM 1130 C ASN A 70 -1.343 1.154 6.170 1.00 0.00 C ATOM 1131 O ASN A 70 -0.550 0.868 5.270 1.00 0.00 O ATOM 1132 CB ASN A 70 -0.965 3.102 7.766 1.00 0.00 C ATOM 1133 CG ASN A 70 -1.104 3.572 9.224 1.00 0.00 C ATOM 1134 OD1 ASN A 70 -0.466 2.897 10.168 1.00 0.00 O flip ATOM 1135 ND2 ASN A 70 -1.780 4.565 9.497 1.00 0.00 N flip ATOM 0 H ASN A 70 1.156 1.474 6.899 1.00 0.00 H new ATOM 0 HA ASN A 70 -1.419 1.055 8.327 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -0.092 3.587 7.330 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -1.834 3.449 7.208 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -2.264 5.072 8.756 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -1.856 4.880 10.464 1.00 0.00 H new ATOM 1142 N ALA A 71 -2.679 1.170 6.006 1.00 0.00 N ATOM 1143 CA ALA A 71 -3.343 0.943 4.705 1.00 0.00 C ATOM 1144 C ALA A 71 -2.975 2.046 3.690 1.00 0.00 C ATOM 1145 O ALA A 71 -3.095 1.852 2.475 1.00 0.00 O ATOM 1146 CB ALA A 71 -4.863 0.873 4.894 1.00 0.00 C ATOM 0 H ALA A 71 -3.331 1.341 6.772 1.00 0.00 H new ATOM 0 HA ALA A 71 -2.992 -0.008 4.305 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -5.342 0.706 3.929 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -5.108 0.053 5.568 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -5.220 1.811 5.319 1.00 0.00 H new ATOM 1152 N THR A 72 -2.509 3.197 4.222 1.00 0.00 N ATOM 1153 CA THR A 72 -1.988 4.320 3.431 1.00 0.00 C ATOM 1154 C THR A 72 -0.478 4.140 3.146 1.00 0.00 C ATOM 1155 O THR A 72 0.303 5.105 3.171 1.00 0.00 O ATOM 1156 CB THR A 72 -2.254 5.682 4.172 1.00 0.00 C ATOM 1157 OG1 THR A 72 -1.605 5.674 5.456 1.00 0.00 O ATOM 1158 CG2 THR A 72 -3.759 5.959 4.360 1.00 0.00 C ATOM 0 H THR A 72 -2.486 3.369 5.227 1.00 0.00 H new ATOM 0 HA THR A 72 -2.512 4.337 2.475 1.00 0.00 H new ATOM 0 HB THR A 72 -1.845 6.477 3.548 1.00 0.00 H new ATOM 0 HG1 THR A 72 -1.772 6.525 5.912 1.00 0.00 H new ATOM 0 HG21 THR A 72 -3.892 6.910 4.876 1.00 0.00 H new ATOM 0 HG22 THR A 72 -4.245 6.004 3.385 1.00 0.00 H new ATOM 0 HG23 THR A 72 -4.205 5.160 4.952 1.00 0.00 H new ATOM 1166 N SER A 73 -0.079 2.895 2.848 1.00 0.00 N ATOM 1167 CA SER A 73 1.282 2.546 2.426 1.00 0.00 C ATOM 1168 C SER A 73 1.203 1.468 1.344 1.00 0.00 C ATOM 1169 O SER A 73 0.309 0.623 1.381 1.00 0.00 O ATOM 1170 CB SER A 73 2.119 2.040 3.614 1.00 0.00 C ATOM 1171 OG SER A 73 3.441 1.751 3.212 1.00 0.00 O ATOM 0 H SER A 73 -0.704 2.091 2.895 1.00 0.00 H new ATOM 0 HA SER A 73 1.770 3.437 2.031 1.00 0.00 H new ATOM 0 HB2 SER A 73 2.131 2.793 4.402 1.00 0.00 H new ATOM 0 HB3 SER A 73 1.659 1.146 4.034 1.00 0.00 H new ATOM 0 HG SER A 73 3.726 2.400 2.535 1.00 0.00 H new ATOM 1177 N ARG A 74 2.134 1.506 0.380 1.00 0.00 N ATOM 1178 CA ARG A 74 2.182 0.529 -0.725 1.00 0.00 C ATOM 1179 C ARG A 74 3.386 -0.392 -0.515 1.00 0.00 C ATOM 1180 O ARG A 74 4.462 0.067 -0.115 1.00 0.00 O ATOM 1181 CB ARG A 74 2.268 1.255 -2.092 1.00 0.00 C ATOM 1182 CG ARG A 74 1.295 2.449 -2.223 1.00 0.00 C ATOM 1183 CD ARG A 74 1.302 3.107 -3.616 1.00 0.00 C ATOM 1184 NE ARG A 74 0.436 2.401 -4.569 1.00 0.00 N ATOM 1185 CZ ARG A 74 0.470 2.556 -5.895 1.00 0.00 C ATOM 1186 NH1 ARG A 74 1.453 3.227 -6.484 1.00 0.00 N ATOM 1187 NH2 ARG A 74 -0.473 2.001 -6.629 1.00 0.00 N ATOM 0 H ARG A 74 2.872 2.209 0.341 1.00 0.00 H new ATOM 0 HA ARG A 74 1.269 -0.067 -0.730 1.00 0.00 H new ATOM 0 HB2 ARG A 74 3.288 1.610 -2.241 1.00 0.00 H new ATOM 0 HB3 ARG A 74 2.060 0.539 -2.887 1.00 0.00 H new ATOM 0 HG2 ARG A 74 0.284 2.109 -1.997 1.00 0.00 H new ATOM 0 HG3 ARG A 74 1.553 3.199 -1.476 1.00 0.00 H new ATOM 0 HD2 ARG A 74 0.974 4.143 -3.528 1.00 0.00 H new ATOM 0 HD3 ARG A 74 2.322 3.127 -4.001 1.00 0.00 H new ATOM 0 HE ARG A 74 -0.243 1.742 -4.189 1.00 0.00 H new ATOM 0 HH11 ARG A 74 2.200 3.635 -5.922 1.00 0.00 H new ATOM 0 HH12 ARG A 74 1.461 3.334 -7.498 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -1.215 1.462 -6.183 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -0.461 2.110 -7.643 1.00 0.00 H new ATOM 1201 N ILE A 75 3.196 -1.688 -0.767 1.00 0.00 N ATOM 1202 CA ILE A 75 4.204 -2.713 -0.481 1.00 0.00 C ATOM 1203 C ILE A 75 4.821 -3.207 -1.799 1.00 0.00 C ATOM 1204 O ILE A 75 4.297 -4.124 -2.441 1.00 0.00 O ATOM 1205 CB ILE A 75 3.563 -3.906 0.330 1.00 0.00 C ATOM 1206 CG1 ILE A 75 2.687 -3.383 1.511 1.00 0.00 C ATOM 1207 CG2 ILE A 75 4.649 -4.881 0.841 1.00 0.00 C ATOM 1208 CD1 ILE A 75 3.416 -2.572 2.568 1.00 0.00 C ATOM 0 H ILE A 75 2.338 -2.058 -1.176 1.00 0.00 H new ATOM 0 HA ILE A 75 4.994 -2.282 0.134 1.00 0.00 H new ATOM 0 HB ILE A 75 2.912 -4.453 -0.352 1.00 0.00 H new ATOM 0 HG12 ILE A 75 1.885 -2.770 1.100 1.00 0.00 H new ATOM 0 HG13 ILE A 75 2.218 -4.239 1.997 1.00 0.00 H new ATOM 0 HG21 ILE A 75 4.178 -5.692 1.396 1.00 0.00 H new ATOM 0 HG22 ILE A 75 5.197 -5.292 -0.007 1.00 0.00 H new ATOM 0 HG23 ILE A 75 5.339 -4.347 1.495 1.00 0.00 H new ATOM 0 HD11 ILE A 75 2.711 -2.261 3.339 1.00 0.00 H new ATOM 0 HD12 ILE A 75 4.200 -3.182 3.018 1.00 0.00 H new ATOM 0 HD13 ILE A 75 3.862 -1.691 2.107 1.00 0.00 H new ATOM 1220 N LYS A 76 5.913 -2.548 -2.214 1.00 0.00 N ATOM 1221 CA LYS A 76 6.622 -2.879 -3.459 1.00 0.00 C ATOM 1222 C LYS A 76 7.591 -4.027 -3.208 1.00 0.00 C ATOM 1223 O LYS A 76 8.548 -3.861 -2.451 1.00 0.00 O ATOM 1224 CB LYS A 76 7.431 -1.669 -3.975 1.00 0.00 C ATOM 1225 CG LYS A 76 8.199 -1.905 -5.299 1.00 0.00 C ATOM 1226 CD LYS A 76 9.267 -0.821 -5.565 1.00 0.00 C ATOM 1227 CE LYS A 76 8.715 0.611 -5.487 1.00 0.00 C ATOM 1228 NZ LYS A 76 9.773 1.628 -5.709 1.00 0.00 N ATOM 0 H LYS A 76 6.329 -1.773 -1.698 1.00 0.00 H new ATOM 0 HA LYS A 76 5.877 -3.159 -4.204 1.00 0.00 H new ATOM 0 HB2 LYS A 76 6.750 -0.829 -4.114 1.00 0.00 H new ATOM 0 HB3 LYS A 76 8.146 -1.376 -3.206 1.00 0.00 H new ATOM 0 HG2 LYS A 76 8.679 -2.883 -5.267 1.00 0.00 H new ATOM 0 HG3 LYS A 76 7.491 -1.924 -6.128 1.00 0.00 H new ATOM 0 HD2 LYS A 76 10.074 -0.931 -4.841 1.00 0.00 H new ATOM 0 HD3 LYS A 76 9.700 -0.982 -6.552 1.00 0.00 H new ATOM 0 HE2 LYS A 76 7.929 0.737 -6.231 1.00 0.00 H new ATOM 0 HE3 LYS A 76 8.258 0.771 -4.510 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 10.027 2.068 -4.802 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 10.613 1.172 -6.119 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 9.422 2.358 -6.362 1.00 0.00 H new ATOM 1242 N VAL A 77 7.358 -5.170 -3.854 1.00 0.00 N ATOM 1243 CA VAL A 77 8.286 -6.311 -3.774 1.00 0.00 C ATOM 1244 C VAL A 77 9.538 -5.978 -4.593 1.00 0.00 C ATOM 1245 O VAL A 77 9.515 -6.037 -5.821 1.00 0.00 O ATOM 1246 CB VAL A 77 7.614 -7.645 -4.256 1.00 0.00 C ATOM 1247 CG1 VAL A 77 8.605 -8.841 -4.268 1.00 0.00 C ATOM 1248 CG2 VAL A 77 6.387 -7.965 -3.383 1.00 0.00 C ATOM 0 H VAL A 77 6.538 -5.335 -4.438 1.00 0.00 H new ATOM 0 HA VAL A 77 8.566 -6.476 -2.734 1.00 0.00 H new ATOM 0 HB VAL A 77 7.294 -7.493 -5.287 1.00 0.00 H new ATOM 0 HG11 VAL A 77 8.088 -9.738 -4.609 1.00 0.00 H new ATOM 0 HG12 VAL A 77 9.433 -8.621 -4.942 1.00 0.00 H new ATOM 0 HG13 VAL A 77 8.990 -9.005 -3.261 1.00 0.00 H new ATOM 0 HG21 VAL A 77 5.928 -8.892 -3.726 1.00 0.00 H new ATOM 0 HG22 VAL A 77 6.699 -8.077 -2.344 1.00 0.00 H new ATOM 0 HG23 VAL A 77 5.664 -7.153 -3.460 1.00 0.00 H new ATOM 1258 N SER A 78 10.601 -5.556 -3.892 1.00 0.00 N ATOM 1259 CA SER A 78 11.862 -5.120 -4.511 1.00 0.00 C ATOM 1260 C SER A 78 12.636 -6.306 -5.114 1.00 0.00 C ATOM 1261 O SER A 78 13.432 -6.133 -6.046 1.00 0.00 O ATOM 1262 CB SER A 78 12.712 -4.379 -3.459 1.00 0.00 C ATOM 1263 OG SER A 78 11.960 -3.341 -2.854 1.00 0.00 O ATOM 0 H SER A 78 10.610 -5.507 -2.873 1.00 0.00 H new ATOM 0 HA SER A 78 11.635 -4.442 -5.333 1.00 0.00 H new ATOM 0 HB2 SER A 78 13.052 -5.081 -2.698 1.00 0.00 H new ATOM 0 HB3 SER A 78 13.603 -3.964 -3.930 1.00 0.00 H new ATOM 0 HG SER A 78 12.547 -2.801 -2.285 1.00 0.00 H new ATOM 1269 N THR A 79 12.404 -7.506 -4.553 1.00 0.00 N ATOM 1270 CA THR A 79 12.929 -8.766 -5.075 1.00 0.00 C ATOM 1271 C THR A 79 12.016 -9.913 -4.608 1.00 0.00 C ATOM 1272 O THR A 79 11.520 -9.890 -3.470 1.00 0.00 O ATOM 1273 CB THR A 79 14.409 -9.021 -4.624 1.00 0.00 C ATOM 1274 OG1 THR A 79 14.956 -10.142 -5.331 1.00 0.00 O ATOM 1275 CG2 THR A 79 14.541 -9.257 -3.105 1.00 0.00 C ATOM 0 H THR A 79 11.838 -7.622 -3.713 1.00 0.00 H new ATOM 0 HA THR A 79 12.939 -8.713 -6.164 1.00 0.00 H new ATOM 0 HB THR A 79 14.968 -8.116 -4.863 1.00 0.00 H new ATOM 0 HG1 THR A 79 15.881 -10.291 -5.043 1.00 0.00 H new ATOM 0 HG21 THR A 79 15.588 -9.428 -2.853 1.00 0.00 H new ATOM 0 HG22 THR A 79 14.176 -8.381 -2.568 1.00 0.00 H new ATOM 0 HG23 THR A 79 13.952 -10.129 -2.820 1.00 0.00 H new ATOM 1283 N GLY A 80 11.774 -10.891 -5.496 1.00 0.00 N ATOM 1284 CA GLY A 80 10.909 -12.034 -5.182 1.00 0.00 C ATOM 1285 C GLY A 80 10.148 -12.562 -6.388 1.00 0.00 C ATOM 1286 O GLY A 80 10.617 -12.401 -7.517 1.00 0.00 O ATOM 0 H GLY A 80 12.167 -10.911 -6.437 1.00 0.00 H new ATOM 0 HA2 GLY A 80 11.517 -12.837 -4.765 1.00 0.00 H new ATOM 0 HA3 GLY A 80 10.196 -11.740 -4.411 1.00 0.00 H new ATOM 1290 N PRO A 81 8.964 -13.230 -6.177 1.00 0.00 N ATOM 1291 CA PRO A 81 8.096 -13.694 -7.288 1.00 0.00 C ATOM 1292 C PRO A 81 7.491 -12.504 -8.064 1.00 0.00 C ATOM 1293 O PRO A 81 7.377 -12.540 -9.292 1.00 0.00 O ATOM 1294 CB PRO A 81 7.002 -14.536 -6.565 1.00 0.00 C ATOM 1295 CG PRO A 81 6.971 -13.996 -5.163 1.00 0.00 C ATOM 1296 CD PRO A 81 8.395 -13.601 -4.844 1.00 0.00 C ATOM 0 HA PRO A 81 8.635 -14.269 -8.040 1.00 0.00 H new ATOM 0 HB2 PRO A 81 6.033 -14.429 -7.052 1.00 0.00 H new ATOM 0 HB3 PRO A 81 7.248 -15.598 -6.575 1.00 0.00 H new ATOM 0 HG2 PRO A 81 6.301 -13.139 -5.088 1.00 0.00 H new ATOM 0 HG3 PRO A 81 6.607 -14.747 -4.462 1.00 0.00 H new ATOM 0 HD2 PRO A 81 8.432 -12.765 -4.145 1.00 0.00 H new ATOM 0 HD3 PRO A 81 8.946 -14.423 -4.387 1.00 0.00 H new ATOM 1304 N LEU A 82 7.140 -11.446 -7.315 1.00 0.00 N ATOM 1305 CA LEU A 82 6.555 -10.203 -7.849 1.00 0.00 C ATOM 1306 C LEU A 82 7.622 -9.095 -7.873 1.00 0.00 C ATOM 1307 O LEU A 82 7.341 -7.941 -7.539 1.00 0.00 O ATOM 1308 CB LEU A 82 5.340 -9.807 -6.972 1.00 0.00 C ATOM 1309 CG LEU A 82 4.178 -10.844 -6.924 1.00 0.00 C ATOM 1310 CD1 LEU A 82 3.098 -10.413 -5.916 1.00 0.00 C ATOM 1311 CD2 LEU A 82 3.571 -11.083 -8.329 1.00 0.00 C ATOM 0 H LEU A 82 7.257 -11.429 -6.302 1.00 0.00 H new ATOM 0 HA LEU A 82 6.211 -10.352 -8.873 1.00 0.00 H new ATOM 0 HB2 LEU A 82 5.690 -9.633 -5.955 1.00 0.00 H new ATOM 0 HB3 LEU A 82 4.943 -8.860 -7.339 1.00 0.00 H new ATOM 0 HG LEU A 82 4.595 -11.792 -6.585 1.00 0.00 H new ATOM 0 HD11 LEU A 82 2.298 -11.153 -5.901 1.00 0.00 H new ATOM 0 HD12 LEU A 82 3.538 -10.335 -4.922 1.00 0.00 H new ATOM 0 HD13 LEU A 82 2.691 -9.445 -6.210 1.00 0.00 H new ATOM 0 HD21 LEU A 82 2.764 -11.812 -8.257 1.00 0.00 H new ATOM 0 HD22 LEU A 82 3.179 -10.144 -8.720 1.00 0.00 H new ATOM 0 HD23 LEU A 82 4.343 -11.461 -8.999 1.00 0.00 H new ATOM 1323 N ALA A 83 8.842 -9.476 -8.294 1.00 0.00 N ATOM 1324 CA ALA A 83 10.019 -8.588 -8.313 1.00 0.00 C ATOM 1325 C ALA A 83 9.810 -7.384 -9.266 1.00 0.00 C ATOM 1326 O ALA A 83 9.890 -7.530 -10.487 1.00 0.00 O ATOM 1327 CB ALA A 83 11.263 -9.396 -8.716 1.00 0.00 C ATOM 0 H ALA A 83 9.040 -10.417 -8.634 1.00 0.00 H new ATOM 0 HA ALA A 83 10.162 -8.181 -7.312 1.00 0.00 H new ATOM 0 HB1 ALA A 83 12.134 -8.740 -8.730 1.00 0.00 H new ATOM 0 HB2 ALA A 83 11.425 -10.198 -7.996 1.00 0.00 H new ATOM 0 HB3 ALA A 83 11.114 -9.823 -9.708 1.00 0.00 H new ATOM 1333 N GLY A 84 9.492 -6.226 -8.668 1.00 0.00 N ATOM 1334 CA GLY A 84 9.288 -4.954 -9.376 1.00 0.00 C ATOM 1335 C GLY A 84 7.864 -4.418 -9.209 1.00 0.00 C ATOM 1336 O GLY A 84 7.613 -3.222 -9.416 1.00 0.00 O ATOM 0 H GLY A 84 9.367 -6.146 -7.659 1.00 0.00 H new ATOM 0 HA2 GLY A 84 9.998 -4.215 -9.003 1.00 0.00 H new ATOM 0 HA3 GLY A 84 9.500 -5.093 -10.436 1.00 0.00 H new ATOM 1340 N ARG A 85 6.931 -5.311 -8.822 1.00 0.00 N ATOM 1341 CA ARG A 85 5.492 -4.986 -8.696 1.00 0.00 C ATOM 1342 C ARG A 85 5.187 -4.329 -7.344 1.00 0.00 C ATOM 1343 O ARG A 85 5.752 -4.705 -6.313 1.00 0.00 O ATOM 1344 CB ARG A 85 4.616 -6.258 -8.902 1.00 0.00 C ATOM 1345 CG ARG A 85 4.828 -6.924 -10.281 1.00 0.00 C ATOM 1346 CD ARG A 85 3.814 -8.029 -10.612 1.00 0.00 C ATOM 1347 NE ARG A 85 4.068 -8.580 -11.960 1.00 0.00 N ATOM 1348 CZ ARG A 85 3.278 -9.413 -12.640 1.00 0.00 C ATOM 1349 NH1 ARG A 85 2.140 -9.856 -12.127 1.00 0.00 N ATOM 1350 NH2 ARG A 85 3.650 -9.810 -13.847 1.00 0.00 N ATOM 0 H ARG A 85 7.152 -6.279 -8.587 1.00 0.00 H new ATOM 0 HA ARG A 85 5.243 -4.270 -9.479 1.00 0.00 H new ATOM 0 HB2 ARG A 85 4.844 -6.980 -8.118 1.00 0.00 H new ATOM 0 HB3 ARG A 85 3.565 -5.990 -8.792 1.00 0.00 H new ATOM 0 HG2 ARG A 85 4.777 -6.157 -11.054 1.00 0.00 H new ATOM 0 HG3 ARG A 85 5.832 -7.346 -10.317 1.00 0.00 H new ATOM 0 HD2 ARG A 85 3.879 -8.824 -9.870 1.00 0.00 H new ATOM 0 HD3 ARG A 85 2.802 -7.628 -10.562 1.00 0.00 H new ATOM 0 HE ARG A 85 4.934 -8.295 -12.416 1.00 0.00 H new ATOM 0 HH11 ARG A 85 1.852 -9.561 -11.194 1.00 0.00 H new ATOM 0 HH12 ARG A 85 1.552 -10.492 -12.665 1.00 0.00 H new ATOM 0 HH21 ARG A 85 4.529 -9.479 -14.244 1.00 0.00 H new ATOM 0 HH22 ARG A 85 3.057 -10.447 -14.380 1.00 0.00 H new ATOM 1364 N VAL A 86 4.289 -3.334 -7.386 1.00 0.00 N ATOM 1365 CA VAL A 86 3.839 -2.562 -6.223 1.00 0.00 C ATOM 1366 C VAL A 86 2.440 -3.068 -5.814 1.00 0.00 C ATOM 1367 O VAL A 86 1.444 -2.830 -6.521 1.00 0.00 O ATOM 1368 CB VAL A 86 3.792 -1.027 -6.567 1.00 0.00 C ATOM 1369 CG1 VAL A 86 3.375 -0.172 -5.341 1.00 0.00 C ATOM 1370 CG2 VAL A 86 5.138 -0.541 -7.177 1.00 0.00 C ATOM 0 H VAL A 86 3.845 -3.037 -8.255 1.00 0.00 H new ATOM 0 HA VAL A 86 4.537 -2.696 -5.396 1.00 0.00 H new ATOM 0 HB VAL A 86 3.021 -0.889 -7.325 1.00 0.00 H new ATOM 0 HG11 VAL A 86 3.355 0.881 -5.622 1.00 0.00 H new ATOM 0 HG12 VAL A 86 2.384 -0.477 -5.005 1.00 0.00 H new ATOM 0 HG13 VAL A 86 4.093 -0.319 -4.534 1.00 0.00 H new ATOM 0 HG21 VAL A 86 5.072 0.523 -7.403 1.00 0.00 H new ATOM 0 HG22 VAL A 86 5.944 -0.711 -6.463 1.00 0.00 H new ATOM 0 HG23 VAL A 86 5.343 -1.095 -8.093 1.00 0.00 H new ATOM 1380 N LEU A 87 2.377 -3.801 -4.696 1.00 0.00 N ATOM 1381 CA LEU A 87 1.142 -4.432 -4.207 1.00 0.00 C ATOM 1382 C LEU A 87 0.416 -3.460 -3.277 1.00 0.00 C ATOM 1383 O LEU A 87 1.017 -2.900 -2.359 1.00 0.00 O ATOM 1384 CB LEU A 87 1.442 -5.779 -3.482 1.00 0.00 C ATOM 1385 CG LEU A 87 2.079 -6.916 -4.349 1.00 0.00 C ATOM 1386 CD1 LEU A 87 1.238 -7.215 -5.591 1.00 0.00 C ATOM 1387 CD2 LEU A 87 3.532 -6.617 -4.740 1.00 0.00 C ATOM 0 H LEU A 87 3.186 -3.975 -4.100 1.00 0.00 H new ATOM 0 HA LEU A 87 0.502 -4.663 -5.058 1.00 0.00 H new ATOM 0 HB2 LEU A 87 2.110 -5.574 -2.645 1.00 0.00 H new ATOM 0 HB3 LEU A 87 0.509 -6.154 -3.061 1.00 0.00 H new ATOM 0 HG LEU A 87 2.091 -7.806 -3.720 1.00 0.00 H new ATOM 0 HD11 LEU A 87 1.711 -8.009 -6.168 1.00 0.00 H new ATOM 0 HD12 LEU A 87 0.240 -7.532 -5.287 1.00 0.00 H new ATOM 0 HD13 LEU A 87 1.162 -6.317 -6.204 1.00 0.00 H new ATOM 0 HD21 LEU A 87 3.924 -7.438 -5.340 1.00 0.00 H new ATOM 0 HD22 LEU A 87 3.571 -5.694 -5.319 1.00 0.00 H new ATOM 0 HD23 LEU A 87 4.136 -6.506 -3.839 1.00 0.00 H new ATOM 1399 N ASN A 88 -0.872 -3.245 -3.546 1.00 0.00 N ATOM 1400 CA ASN A 88 -1.683 -2.244 -2.848 1.00 0.00 C ATOM 1401 C ASN A 88 -2.497 -2.912 -1.730 1.00 0.00 C ATOM 1402 O ASN A 88 -3.323 -3.789 -2.009 1.00 0.00 O ATOM 1403 CB ASN A 88 -2.612 -1.526 -3.866 1.00 0.00 C ATOM 1404 CG ASN A 88 -1.892 -0.586 -4.852 1.00 0.00 C ATOM 1405 OD1 ASN A 88 -2.430 0.460 -5.210 1.00 0.00 O ATOM 1406 ND2 ASN A 88 -0.697 -0.941 -5.321 1.00 0.00 N ATOM 0 H ASN A 88 -1.386 -3.763 -4.258 1.00 0.00 H new ATOM 0 HA ASN A 88 -1.031 -1.500 -2.390 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -3.154 -2.281 -4.436 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -3.355 -0.950 -3.314 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -0.212 -0.341 -5.989 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -0.266 -1.813 -5.012 1.00 0.00 H new ATOM 1413 N ILE A 89 -2.253 -2.483 -0.471 1.00 0.00 N ATOM 1414 CA ILE A 89 -2.929 -3.036 0.724 1.00 0.00 C ATOM 1415 C ILE A 89 -4.455 -2.926 0.601 1.00 0.00 C ATOM 1416 O ILE A 89 -4.977 -1.890 0.182 1.00 0.00 O ATOM 1417 CB ILE A 89 -2.464 -2.319 2.053 1.00 0.00 C ATOM 1418 CG1 ILE A 89 -0.916 -2.387 2.203 1.00 0.00 C ATOM 1419 CG2 ILE A 89 -3.177 -2.908 3.310 1.00 0.00 C ATOM 1420 CD1 ILE A 89 -0.378 -1.754 3.480 1.00 0.00 C ATOM 0 H ILE A 89 -1.583 -1.745 -0.255 1.00 0.00 H new ATOM 0 HA ILE A 89 -2.645 -4.087 0.778 1.00 0.00 H new ATOM 0 HB ILE A 89 -2.755 -1.271 1.980 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -0.606 -3.431 2.171 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -0.458 -1.892 1.346 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -2.829 -2.388 4.203 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -4.255 -2.779 3.211 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -2.945 -3.970 3.396 1.00 0.00 H new ATOM 0 HD11 ILE A 89 0.708 -1.846 3.502 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -0.653 -0.700 3.507 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -0.803 -2.263 4.345 1.00 0.00 H new ATOM 1432 N ILE A 90 -5.152 -4.017 0.934 1.00 0.00 N ATOM 1433 CA ILE A 90 -6.617 -4.062 0.969 1.00 0.00 C ATOM 1434 C ILE A 90 -7.098 -4.220 2.425 1.00 0.00 C ATOM 1435 O ILE A 90 -7.088 -5.316 2.990 1.00 0.00 O ATOM 1436 CB ILE A 90 -7.200 -5.188 0.017 1.00 0.00 C ATOM 1437 CG1 ILE A 90 -6.432 -6.547 0.170 1.00 0.00 C ATOM 1438 CG2 ILE A 90 -7.177 -4.706 -1.450 1.00 0.00 C ATOM 1439 CD1 ILE A 90 -7.056 -7.730 -0.552 1.00 0.00 C ATOM 0 H ILE A 90 -4.711 -4.901 1.189 1.00 0.00 H new ATOM 0 HA ILE A 90 -7.003 -3.119 0.583 1.00 0.00 H new ATOM 0 HB ILE A 90 -8.232 -5.372 0.315 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -5.414 -6.414 -0.197 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -6.359 -6.787 1.231 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -7.579 -5.486 -2.096 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -7.784 -3.806 -1.547 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -6.151 -4.485 -1.744 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -6.450 -8.620 -0.384 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -8.063 -7.899 -0.170 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -7.103 -7.520 -1.621 1.00 0.00 H new ATOM 1451 N GLY A 91 -7.441 -3.077 3.051 1.00 0.00 N ATOM 1452 CA GLY A 91 -8.006 -3.052 4.399 1.00 0.00 C ATOM 1453 C GLY A 91 -7.066 -2.402 5.402 1.00 0.00 C ATOM 1454 O GLY A 91 -7.160 -1.200 5.659 1.00 0.00 O ATOM 0 H GLY A 91 -7.332 -2.153 2.632 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -8.952 -2.510 4.385 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -8.227 -4.071 4.718 1.00 0.00 H new ATOM 1458 N GLN A 92 -6.133 -3.210 5.935 1.00 0.00 N ATOM 1459 CA GLN A 92 -5.228 -2.821 7.041 1.00 0.00 C ATOM 1460 C GLN A 92 -4.137 -3.907 7.224 1.00 0.00 C ATOM 1461 O GLN A 92 -4.340 -5.029 6.786 1.00 0.00 O ATOM 1462 CB GLN A 92 -6.054 -2.638 8.354 1.00 0.00 C ATOM 1463 CG GLN A 92 -6.845 -3.894 8.790 1.00 0.00 C ATOM 1464 CD GLN A 92 -7.765 -3.673 9.996 1.00 0.00 C ATOM 1465 OE1 GLN A 92 -7.480 -2.852 10.877 1.00 0.00 O ATOM 1466 NE2 GLN A 92 -8.866 -4.416 10.052 1.00 0.00 N ATOM 0 H GLN A 92 -5.981 -4.164 5.609 1.00 0.00 H new ATOM 0 HA GLN A 92 -4.741 -1.875 6.804 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -5.376 -2.353 9.159 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -6.753 -1.812 8.218 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -7.445 -4.241 7.949 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -6.139 -4.690 9.028 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -9.069 -5.083 9.308 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -9.507 -4.319 10.839 1.00 0.00 H new ATOM 1475 N PRO A 93 -2.960 -3.599 7.857 1.00 0.00 N ATOM 1476 CA PRO A 93 -1.960 -4.643 8.231 1.00 0.00 C ATOM 1477 C PRO A 93 -2.482 -5.548 9.380 1.00 0.00 C ATOM 1478 O PRO A 93 -2.863 -5.051 10.448 1.00 0.00 O ATOM 1479 CB PRO A 93 -0.732 -3.811 8.669 1.00 0.00 C ATOM 1480 CG PRO A 93 -1.305 -2.510 9.133 1.00 0.00 C ATOM 1481 CD PRO A 93 -2.478 -2.236 8.213 1.00 0.00 C ATOM 0 HA PRO A 93 -1.737 -5.333 7.417 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -0.180 -4.308 9.467 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -0.036 -3.666 7.843 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -1.627 -2.571 10.173 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -0.565 -1.712 9.075 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -3.252 -1.653 8.711 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -2.174 -1.674 7.330 1.00 0.00 H new ATOM 1489 N LEU A 94 -2.486 -6.867 9.144 1.00 0.00 N ATOM 1490 CA LEU A 94 -3.090 -7.872 10.053 1.00 0.00 C ATOM 1491 C LEU A 94 -1.966 -8.607 10.834 1.00 0.00 C ATOM 1492 O LEU A 94 -1.229 -9.385 10.235 1.00 0.00 O ATOM 1493 CB LEU A 94 -3.957 -8.869 9.196 1.00 0.00 C ATOM 1494 CG LEU A 94 -5.089 -9.697 9.903 1.00 0.00 C ATOM 1495 CD1 LEU A 94 -4.543 -10.833 10.786 1.00 0.00 C ATOM 1496 CD2 LEU A 94 -6.044 -8.770 10.685 1.00 0.00 C ATOM 0 H LEU A 94 -2.068 -7.279 8.310 1.00 0.00 H new ATOM 0 HA LEU A 94 -3.739 -7.392 10.785 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -4.421 -8.295 8.394 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -3.275 -9.578 8.727 1.00 0.00 H new ATOM 0 HG LEU A 94 -5.661 -10.185 9.114 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -5.374 -11.367 11.246 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -3.963 -11.523 10.174 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -3.905 -10.414 11.564 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -6.819 -9.368 11.165 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -5.482 -8.226 11.444 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -6.506 -8.061 9.998 1.00 0.00 H new ATOM 1508 N PRO A 95 -1.809 -8.373 12.182 1.00 0.00 N ATOM 1509 CA PRO A 95 -0.824 -9.113 13.017 1.00 0.00 C ATOM 1510 C PRO A 95 -1.278 -10.564 13.251 1.00 0.00 C ATOM 1511 O PRO A 95 -2.486 -10.829 13.298 1.00 0.00 O ATOM 1512 CB PRO A 95 -0.785 -8.308 14.357 1.00 0.00 C ATOM 1513 CG PRO A 95 -1.600 -7.064 14.112 1.00 0.00 C ATOM 1514 CD PRO A 95 -2.571 -7.398 12.999 1.00 0.00 C ATOM 0 HA PRO A 95 0.156 -9.185 12.546 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -1.201 -8.893 15.177 1.00 0.00 H new ATOM 0 HB3 PRO A 95 0.239 -8.057 14.633 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -2.133 -6.765 15.015 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -0.958 -6.229 13.830 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -3.496 -7.828 13.384 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -2.846 -6.514 12.423 1.00 0.00 H new ATOM 1522 N ASP A 96 -0.327 -11.497 13.424 1.00 0.00 N ATOM 1523 CA ASP A 96 -0.679 -12.908 13.728 1.00 0.00 C ATOM 1524 C ASP A 96 -1.169 -13.023 15.198 1.00 0.00 C ATOM 1525 O ASP A 96 -1.113 -12.039 15.951 1.00 0.00 O ATOM 1526 CB ASP A 96 0.528 -13.853 13.463 1.00 0.00 C ATOM 1527 CG ASP A 96 1.636 -13.743 14.519 1.00 0.00 C ATOM 1528 OD1 ASP A 96 2.189 -12.643 14.687 1.00 0.00 O ATOM 1529 OD2 ASP A 96 1.926 -14.743 15.202 1.00 0.00 O ATOM 0 H ASP A 96 0.674 -11.313 13.362 1.00 0.00 H new ATOM 0 HA ASP A 96 -1.487 -13.219 13.066 1.00 0.00 H new ATOM 0 HB2 ASP A 96 0.172 -14.883 13.428 1.00 0.00 H new ATOM 0 HB3 ASP A 96 0.948 -13.627 12.483 1.00 0.00 H new ATOM 1534 N ALA A 97 -1.624 -14.226 15.601 1.00 0.00 N ATOM 1535 CA ALA A 97 -2.167 -14.482 16.963 1.00 0.00 C ATOM 1536 C ALA A 97 -1.149 -14.155 18.076 1.00 0.00 C ATOM 1537 O ALA A 97 -1.530 -13.735 19.176 1.00 0.00 O ATOM 1538 CB ALA A 97 -2.630 -15.946 17.078 1.00 0.00 C ATOM 0 H ALA A 97 -1.628 -15.049 14.999 1.00 0.00 H new ATOM 0 HA ALA A 97 -3.018 -13.815 17.103 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -3.026 -16.125 18.078 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -3.408 -16.141 16.339 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -1.785 -16.610 16.898 1.00 0.00 H new ATOM 1544 N ALA A 98 0.142 -14.334 17.768 1.00 0.00 N ATOM 1545 CA ALA A 98 1.241 -14.134 18.731 1.00 0.00 C ATOM 1546 C ALA A 98 1.809 -12.698 18.691 1.00 0.00 C ATOM 1547 O ALA A 98 2.559 -12.309 19.595 1.00 0.00 O ATOM 1548 CB ALA A 98 2.355 -15.148 18.444 1.00 0.00 C ATOM 0 H ALA A 98 0.458 -14.622 16.842 1.00 0.00 H new ATOM 0 HA ALA A 98 0.838 -14.287 19.732 1.00 0.00 H new ATOM 0 HB1 ALA A 98 3.170 -15.004 19.154 1.00 0.00 H new ATOM 0 HB2 ALA A 98 1.961 -16.159 18.544 1.00 0.00 H new ATOM 0 HB3 ALA A 98 2.727 -15.002 17.430 1.00 0.00 H new ATOM 1554 N ARG A 99 1.449 -11.932 17.632 1.00 0.00 N ATOM 1555 CA ARG A 99 1.940 -10.545 17.389 1.00 0.00 C ATOM 1556 C ARG A 99 3.478 -10.514 17.206 1.00 0.00 C ATOM 1557 O ARG A 99 4.129 -9.489 17.448 1.00 0.00 O ATOM 1558 CB ARG A 99 1.477 -9.533 18.496 1.00 0.00 C ATOM 1559 CG ARG A 99 -0.019 -9.131 18.439 1.00 0.00 C ATOM 1560 CD ARG A 99 -0.983 -10.255 18.854 1.00 0.00 C ATOM 1561 NE ARG A 99 -0.814 -10.632 20.277 1.00 0.00 N ATOM 1562 CZ ARG A 99 -1.731 -10.443 21.246 1.00 0.00 C ATOM 1563 NH1 ARG A 99 -2.883 -9.845 20.980 1.00 0.00 N ATOM 1564 NH2 ARG A 99 -1.480 -10.822 22.492 1.00 0.00 N ATOM 0 H ARG A 99 0.803 -12.259 16.913 1.00 0.00 H new ATOM 0 HA ARG A 99 1.482 -10.215 16.457 1.00 0.00 H new ATOM 0 HB2 ARG A 99 1.682 -9.970 19.473 1.00 0.00 H new ATOM 0 HB3 ARG A 99 2.083 -8.630 18.416 1.00 0.00 H new ATOM 0 HG2 ARG A 99 -0.179 -8.271 19.089 1.00 0.00 H new ATOM 0 HG3 ARG A 99 -0.261 -8.814 17.425 1.00 0.00 H new ATOM 0 HD2 ARG A 99 -2.010 -9.933 18.683 1.00 0.00 H new ATOM 0 HD3 ARG A 99 -0.814 -11.129 18.225 1.00 0.00 H new ATOM 0 HE ARG A 99 0.068 -11.070 20.545 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -3.083 -9.522 20.033 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -3.569 -9.708 21.722 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -0.588 -11.260 22.722 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -2.179 -10.676 23.220 1.00 0.00 H new ATOM 1578 N THR A 100 4.043 -11.645 16.754 1.00 0.00 N ATOM 1579 CA THR A 100 5.480 -11.771 16.467 1.00 0.00 C ATOM 1580 C THR A 100 5.790 -11.206 15.065 1.00 0.00 C ATOM 1581 O THR A 100 6.899 -10.732 14.806 1.00 0.00 O ATOM 1582 CB THR A 100 5.958 -13.266 16.573 1.00 0.00 C ATOM 1583 OG1 THR A 100 7.389 -13.362 16.426 1.00 0.00 O ATOM 1584 CG2 THR A 100 5.284 -14.176 15.533 1.00 0.00 C ATOM 0 H THR A 100 3.515 -12.499 16.577 1.00 0.00 H new ATOM 0 HA THR A 100 6.026 -11.195 17.214 1.00 0.00 H new ATOM 0 HB THR A 100 5.664 -13.608 17.565 1.00 0.00 H new ATOM 0 HG1 THR A 100 7.663 -14.300 16.497 1.00 0.00 H new ATOM 0 HG21 THR A 100 5.650 -15.196 15.651 1.00 0.00 H new ATOM 0 HG22 THR A 100 4.204 -14.159 15.680 1.00 0.00 H new ATOM 0 HG23 THR A 100 5.520 -13.819 14.530 1.00 0.00 H new ATOM 1592 N ARG A 101 4.771 -11.216 14.190 1.00 0.00 N ATOM 1593 CA ARG A 101 4.907 -10.846 12.781 1.00 0.00 C ATOM 1594 C ARG A 101 3.688 -10.005 12.373 1.00 0.00 C ATOM 1595 O ARG A 101 2.668 -9.950 13.095 1.00 0.00 O ATOM 1596 CB ARG A 101 5.015 -12.113 11.869 1.00 0.00 C ATOM 1597 CG ARG A 101 3.656 -12.785 11.543 1.00 0.00 C ATOM 1598 CD ARG A 101 3.754 -13.950 10.559 1.00 0.00 C ATOM 1599 NE ARG A 101 4.382 -15.143 11.158 1.00 0.00 N ATOM 1600 CZ ARG A 101 3.730 -16.268 11.502 1.00 0.00 C ATOM 1601 NH1 ARG A 101 2.407 -16.364 11.376 1.00 0.00 N ATOM 1602 NH2 ARG A 101 4.400 -17.292 11.993 1.00 0.00 N ATOM 0 H ARG A 101 3.822 -11.485 14.449 1.00 0.00 H new ATOM 0 HA ARG A 101 5.823 -10.269 12.653 1.00 0.00 H new ATOM 0 HB2 ARG A 101 5.501 -11.833 10.935 1.00 0.00 H new ATOM 0 HB3 ARG A 101 5.660 -12.843 12.357 1.00 0.00 H new ATOM 0 HG2 ARG A 101 3.209 -13.144 12.470 1.00 0.00 H new ATOM 0 HG3 ARG A 101 2.981 -12.034 11.133 1.00 0.00 H new ATOM 0 HD2 ARG A 101 2.756 -14.208 10.205 1.00 0.00 H new ATOM 0 HD3 ARG A 101 4.330 -13.638 9.688 1.00 0.00 H new ATOM 0 HE ARG A 101 5.388 -15.112 11.324 1.00 0.00 H new ATOM 0 HH11 ARG A 101 1.871 -15.576 11.013 1.00 0.00 H new ATOM 0 HH12 ARG A 101 1.931 -17.226 11.642 1.00 0.00 H new ATOM 0 HH21 ARG A 101 5.411 -17.230 12.111 1.00 0.00 H new ATOM 0 HH22 ARG A 101 3.907 -18.146 12.254 1.00 0.00 H new ATOM 1616 N LEU A 102 3.783 -9.397 11.190 1.00 0.00 N ATOM 1617 CA LEU A 102 2.716 -8.592 10.616 1.00 0.00 C ATOM 1618 C LEU A 102 2.447 -9.079 9.188 1.00 0.00 C ATOM 1619 O LEU A 102 3.271 -8.880 8.288 1.00 0.00 O ATOM 1620 CB LEU A 102 3.138 -7.104 10.630 1.00 0.00 C ATOM 1621 CG LEU A 102 1.998 -6.067 10.482 1.00 0.00 C ATOM 1622 CD1 LEU A 102 1.042 -6.122 11.688 1.00 0.00 C ATOM 1623 CD2 LEU A 102 2.573 -4.655 10.287 1.00 0.00 C ATOM 0 H LEU A 102 4.614 -9.453 10.601 1.00 0.00 H new ATOM 0 HA LEU A 102 1.800 -8.692 11.198 1.00 0.00 H new ATOM 0 HB2 LEU A 102 3.662 -6.906 11.565 1.00 0.00 H new ATOM 0 HB3 LEU A 102 3.853 -6.944 9.824 1.00 0.00 H new ATOM 0 HG LEU A 102 1.419 -6.319 9.593 1.00 0.00 H new ATOM 0 HD11 LEU A 102 0.251 -5.384 11.559 1.00 0.00 H new ATOM 0 HD12 LEU A 102 0.602 -7.117 11.759 1.00 0.00 H new ATOM 0 HD13 LEU A 102 1.596 -5.904 12.601 1.00 0.00 H new ATOM 0 HD21 LEU A 102 1.756 -3.940 10.185 1.00 0.00 H new ATOM 0 HD22 LEU A 102 3.183 -4.388 11.150 1.00 0.00 H new ATOM 0 HD23 LEU A 102 3.188 -4.634 9.387 1.00 0.00 H new ATOM 1635 N GLU A 103 1.308 -9.743 9.001 1.00 0.00 N ATOM 1636 CA GLU A 103 0.867 -10.229 7.694 1.00 0.00 C ATOM 1637 C GLU A 103 0.133 -9.101 6.963 1.00 0.00 C ATOM 1638 O GLU A 103 -0.971 -8.706 7.360 1.00 0.00 O ATOM 1639 CB GLU A 103 -0.054 -11.455 7.859 1.00 0.00 C ATOM 1640 CG GLU A 103 -0.572 -12.047 6.534 1.00 0.00 C ATOM 1641 CD GLU A 103 -1.563 -13.192 6.752 1.00 0.00 C ATOM 1642 OE1 GLU A 103 -1.183 -14.201 7.374 1.00 0.00 O ATOM 1643 OE2 GLU A 103 -2.727 -13.086 6.322 1.00 0.00 O ATOM 0 H GLU A 103 0.660 -9.961 9.758 1.00 0.00 H new ATOM 0 HA GLU A 103 1.734 -10.535 7.109 1.00 0.00 H new ATOM 0 HB2 GLU A 103 0.487 -12.230 8.402 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -0.908 -11.172 8.475 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -1.052 -11.261 5.952 1.00 0.00 H new ATOM 0 HG3 GLU A 103 0.272 -12.408 5.946 1.00 0.00 H new ATOM 1650 N ILE A 104 0.759 -8.576 5.916 1.00 0.00 N ATOM 1651 CA ILE A 104 0.206 -7.472 5.129 1.00 0.00 C ATOM 1652 C ILE A 104 -0.643 -8.050 3.984 1.00 0.00 C ATOM 1653 O ILE A 104 -0.092 -8.548 2.991 1.00 0.00 O ATOM 1654 CB ILE A 104 1.330 -6.539 4.526 1.00 0.00 C ATOM 1655 CG1 ILE A 104 2.458 -6.244 5.564 1.00 0.00 C ATOM 1656 CG2 ILE A 104 0.708 -5.225 3.999 1.00 0.00 C ATOM 1657 CD1 ILE A 104 2.000 -5.516 6.804 1.00 0.00 C ATOM 0 H ILE A 104 1.667 -8.903 5.585 1.00 0.00 H new ATOM 0 HA ILE A 104 -0.402 -6.861 5.796 1.00 0.00 H new ATOM 0 HB ILE A 104 1.792 -7.068 3.693 1.00 0.00 H new ATOM 0 HG12 ILE A 104 2.915 -7.188 5.861 1.00 0.00 H new ATOM 0 HG13 ILE A 104 3.234 -5.653 5.078 1.00 0.00 H new ATOM 0 HG21 ILE A 104 1.493 -4.591 3.586 1.00 0.00 H new ATOM 0 HG22 ILE A 104 -0.021 -5.454 3.221 1.00 0.00 H new ATOM 0 HG23 ILE A 104 0.213 -4.703 4.818 1.00 0.00 H new ATOM 0 HD11 ILE A 104 2.851 -5.355 7.466 1.00 0.00 H new ATOM 0 HD12 ILE A 104 1.571 -4.554 6.524 1.00 0.00 H new ATOM 0 HD13 ILE A 104 1.247 -6.113 7.319 1.00 0.00 H new ATOM 1669 N LEU A 105 -1.978 -8.013 4.135 1.00 0.00 N ATOM 1670 CA LEU A 105 -2.893 -8.487 3.083 1.00 0.00 C ATOM 1671 C LEU A 105 -3.045 -7.376 2.039 1.00 0.00 C ATOM 1672 O LEU A 105 -3.671 -6.333 2.272 1.00 0.00 O ATOM 1673 CB LEU A 105 -4.284 -8.988 3.607 1.00 0.00 C ATOM 1674 CG LEU A 105 -5.169 -8.000 4.441 1.00 0.00 C ATOM 1675 CD1 LEU A 105 -6.649 -8.446 4.465 1.00 0.00 C ATOM 1676 CD2 LEU A 105 -4.631 -7.851 5.874 1.00 0.00 C ATOM 0 H LEU A 105 -2.445 -7.662 4.971 1.00 0.00 H new ATOM 0 HA LEU A 105 -2.448 -9.375 2.635 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -4.868 -9.308 2.744 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -4.109 -9.873 4.219 1.00 0.00 H new ATOM 0 HG LEU A 105 -5.119 -7.028 3.950 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -7.233 -7.737 5.052 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -7.036 -8.479 3.446 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -6.723 -9.437 4.913 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -5.264 -7.160 6.430 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -4.635 -8.823 6.367 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -3.612 -7.464 5.842 1.00 0.00 H new ATOM 1688 N CYS A 106 -2.388 -7.602 0.913 1.00 0.00 N ATOM 1689 CA CYS A 106 -2.396 -6.703 -0.232 1.00 0.00 C ATOM 1690 C CYS A 106 -3.169 -7.359 -1.370 1.00 0.00 C ATOM 1691 O CYS A 106 -3.723 -8.448 -1.215 1.00 0.00 O ATOM 1692 CB CYS A 106 -0.942 -6.388 -0.656 1.00 0.00 C ATOM 1693 SG CYS A 106 0.067 -5.694 0.666 1.00 0.00 S ATOM 0 H CYS A 106 -1.820 -8.436 0.765 1.00 0.00 H new ATOM 0 HA CYS A 106 -2.884 -5.764 0.029 1.00 0.00 H new ATOM 0 HB2 CYS A 106 -0.472 -7.303 -1.017 1.00 0.00 H new ATOM 0 HB3 CYS A 106 -0.961 -5.688 -1.492 1.00 0.00 H new ATOM 0 HG CYS A 106 1.325 -5.854 0.381 1.00 0.00 H new ATOM 1699 N ARG A 107 -3.257 -6.652 -2.477 1.00 0.00 N ATOM 1700 CA ARG A 107 -3.806 -7.160 -3.735 1.00 0.00 C ATOM 1701 C ARG A 107 -3.035 -6.499 -4.863 1.00 0.00 C ATOM 1702 O ARG A 107 -2.683 -5.311 -4.764 1.00 0.00 O ATOM 1703 CB ARG A 107 -5.329 -6.877 -3.832 1.00 0.00 C ATOM 1704 CG ARG A 107 -5.981 -7.220 -5.189 1.00 0.00 C ATOM 1705 CD ARG A 107 -7.525 -7.155 -5.155 1.00 0.00 C ATOM 1706 NE ARG A 107 -8.045 -5.937 -4.490 1.00 0.00 N ATOM 1707 CZ ARG A 107 -8.666 -4.903 -5.083 1.00 0.00 C ATOM 1708 NH1 ARG A 107 -8.811 -4.842 -6.397 1.00 0.00 N ATOM 1709 NH2 ARG A 107 -9.141 -3.918 -4.335 1.00 0.00 N ATOM 0 H ARG A 107 -2.943 -5.683 -2.538 1.00 0.00 H new ATOM 0 HA ARG A 107 -3.696 -8.243 -3.795 1.00 0.00 H new ATOM 0 HB2 ARG A 107 -5.837 -7.442 -3.051 1.00 0.00 H new ATOM 0 HB3 ARG A 107 -5.499 -5.821 -3.623 1.00 0.00 H new ATOM 0 HG2 ARG A 107 -5.611 -6.530 -5.947 1.00 0.00 H new ATOM 0 HG3 ARG A 107 -5.672 -8.221 -5.491 1.00 0.00 H new ATOM 0 HD2 ARG A 107 -7.906 -7.194 -6.175 1.00 0.00 H new ATOM 0 HD3 ARG A 107 -7.908 -8.035 -4.638 1.00 0.00 H new ATOM 0 HE ARG A 107 -7.919 -5.877 -3.480 1.00 0.00 H new ATOM 0 HH11 ARG A 107 -8.447 -5.591 -6.986 1.00 0.00 H new ATOM 0 HH12 ARG A 107 -9.287 -4.046 -6.821 1.00 0.00 H new ATOM 0 HH21 ARG A 107 -9.033 -3.950 -3.321 1.00 0.00 H new ATOM 0 HH22 ARG A 107 -9.614 -3.128 -4.773 1.00 0.00 H new ATOM 1723 N GLU A 108 -2.743 -7.275 -5.911 1.00 0.00 N ATOM 1724 CA GLU A 108 -1.925 -6.815 -7.025 1.00 0.00 C ATOM 1725 C GLU A 108 -2.593 -5.643 -7.753 1.00 0.00 C ATOM 1726 O GLU A 108 -3.689 -5.787 -8.295 1.00 0.00 O ATOM 1727 CB GLU A 108 -1.622 -7.983 -7.992 1.00 0.00 C ATOM 1728 CG GLU A 108 -0.668 -7.616 -9.145 1.00 0.00 C ATOM 1729 CD GLU A 108 -0.259 -8.834 -9.983 1.00 0.00 C ATOM 1730 OE1 GLU A 108 0.705 -9.531 -9.599 1.00 0.00 O ATOM 1731 OE2 GLU A 108 -0.912 -9.115 -11.013 1.00 0.00 O ATOM 0 H GLU A 108 -3.069 -8.237 -6.006 1.00 0.00 H new ATOM 0 HA GLU A 108 -0.977 -6.452 -6.628 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -1.189 -8.807 -7.425 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -2.560 -8.345 -8.413 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -1.150 -6.881 -9.790 1.00 0.00 H new ATOM 0 HG3 GLU A 108 0.226 -7.144 -8.736 1.00 0.00 H new ATOM 1738 N GLY A 109 -1.899 -4.483 -7.759 1.00 0.00 N ATOM 1739 CA GLY A 109 -2.355 -3.283 -8.464 1.00 0.00 C ATOM 1740 C GLY A 109 -1.862 -3.258 -9.907 1.00 0.00 C ATOM 1741 O GLY A 109 -1.425 -2.222 -10.419 1.00 0.00 O ATOM 0 H GLY A 109 -1.010 -4.361 -7.274 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -3.444 -3.244 -8.450 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -1.998 -2.396 -7.941 1.00 0.00 H new