USER MOD reduce.3.24.130724 H: found=0, std=0, add=812, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 814 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 86 SER OG : rot 180:sc= 0.215 USER MOD Set 1.2: A 89 SER OG : rot 67:sc= 0.228 USER MOD Single : A 5 THR OG1 : rot 180:sc= 0.0885 USER MOD Single : A 6 GLN : amide:sc= 0 K(o=0,f=-0.59) USER MOD Single : A 18 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 19 MET CE :methyl 173:sc= -0.261 (180deg=-0.328) USER MOD Single : A 29 LYS NZ :NH3+ -118:sc= -1.37 (180deg=-2.97!) USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0.0184 USER MOD Single : A 58 ASN : amide:sc=-0.00109 K(o=-0.0011,f=-1.2) USER MOD Single : A 66 THR OG1 : rot -172:sc= 0.229 USER MOD Single : A 83 THR OG1 : rot 180:sc=-0.00552 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 101 GLN : amide:sc= 0.127! C(o=0.13!,f=-4.4!) USER MOD Single : A 102 LYS NZ :NH3+ -175:sc= 2.07 (180deg=1.93) USER MOD Single : A 105 THR OG1 : rot 180:sc=-0.00433 USER MOD Single : A 106 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 111 LYS NZ :NH3+ 167:sc= 1.11 (180deg=0.893) USER MOD ----------------------------------------------------------------- ATOM 41 N LEU A 4 8.428 4.818 -6.413 1.00 0.00 N ATOM 42 CA LEU A 4 8.064 6.217 -6.264 1.00 0.00 C ATOM 43 C LEU A 4 7.261 6.675 -7.480 1.00 0.00 C ATOM 44 O LEU A 4 7.768 7.366 -8.361 1.00 0.00 O ATOM 45 CB LEU A 4 9.308 7.083 -6.004 1.00 0.00 C ATOM 46 CG LEU A 4 10.473 6.916 -6.991 1.00 0.00 C ATOM 47 CD1 LEU A 4 11.370 8.146 -6.888 1.00 0.00 C ATOM 48 CD2 LEU A 4 11.338 5.695 -6.680 1.00 0.00 C ATOM 0 HA LEU A 4 7.424 6.337 -5.390 1.00 0.00 H new ATOM 0 HB2 LEU A 4 9.003 8.130 -6.009 1.00 0.00 H new ATOM 0 HB3 LEU A 4 9.675 6.862 -5.002 1.00 0.00 H new ATOM 0 HG LEU A 4 10.043 6.790 -7.985 1.00 0.00 H new ATOM 0 HD11 LEU A 4 12.205 8.047 -7.582 1.00 0.00 H new ATOM 0 HD12 LEU A 4 10.795 9.038 -7.137 1.00 0.00 H new ATOM 0 HD13 LEU A 4 11.752 8.233 -5.871 1.00 0.00 H new ATOM 0 HD21 LEU A 4 12.146 5.626 -7.409 1.00 0.00 H new ATOM 0 HD22 LEU A 4 11.759 5.793 -5.680 1.00 0.00 H new ATOM 0 HD23 LEU A 4 10.727 4.794 -6.730 1.00 0.00 H new ATOM 60 N THR A 5 5.987 6.283 -7.521 1.00 0.00 N ATOM 61 CA THR A 5 5.077 6.636 -8.603 1.00 0.00 C ATOM 62 C THR A 5 4.579 8.070 -8.484 1.00 0.00 C ATOM 63 O THR A 5 3.934 8.553 -9.411 1.00 0.00 O ATOM 64 CB THR A 5 3.879 5.685 -8.619 1.00 0.00 C ATOM 65 OG1 THR A 5 3.584 5.226 -7.316 1.00 0.00 O ATOM 66 CG2 THR A 5 4.165 4.487 -9.519 1.00 0.00 C ATOM 0 H THR A 5 5.558 5.707 -6.797 1.00 0.00 H new ATOM 0 HA THR A 5 5.636 6.547 -9.535 1.00 0.00 H new ATOM 0 HB THR A 5 3.021 6.235 -9.005 1.00 0.00 H new ATOM 0 HG1 THR A 5 2.814 4.621 -7.349 1.00 0.00 H new ATOM 0 HG21 THR A 5 3.304 3.819 -9.520 1.00 0.00 H new ATOM 0 HG22 THR A 5 4.358 4.833 -10.535 1.00 0.00 H new ATOM 0 HG23 THR A 5 5.038 3.952 -9.146 1.00 0.00 H new ATOM 74 N GLN A 6 4.863 8.757 -7.376 1.00 0.00 N ATOM 75 CA GLN A 6 4.375 10.109 -7.183 1.00 0.00 C ATOM 76 C GLN A 6 5.507 11.112 -7.025 1.00 0.00 C ATOM 77 O GLN A 6 6.260 11.064 -6.055 1.00 0.00 O ATOM 78 CB GLN A 6 3.413 10.128 -6.003 1.00 0.00 C ATOM 79 CG GLN A 6 2.296 9.131 -6.318 1.00 0.00 C ATOM 80 CD GLN A 6 1.116 9.196 -5.364 1.00 0.00 C ATOM 81 OE1 GLN A 6 1.069 10.005 -4.439 1.00 0.00 O ATOM 82 NE2 GLN A 6 0.150 8.320 -5.607 1.00 0.00 N ATOM 0 H GLN A 6 5.426 8.395 -6.606 1.00 0.00 H new ATOM 0 HA GLN A 6 3.836 10.421 -8.078 1.00 0.00 H new ATOM 0 HB2 GLN A 6 3.927 9.852 -5.082 1.00 0.00 H new ATOM 0 HB3 GLN A 6 3.006 11.128 -5.854 1.00 0.00 H new ATOM 0 HG2 GLN A 6 1.939 9.311 -7.332 1.00 0.00 H new ATOM 0 HG3 GLN A 6 2.709 8.122 -6.299 1.00 0.00 H new ATOM 0 HE21 GLN A 6 0.236 7.669 -6.388 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -0.679 8.297 -5.013 1.00 0.00 H new ATOM 91 N ILE A 7 5.607 12.019 -8.000 1.00 0.00 N ATOM 92 CA ILE A 7 6.693 12.980 -8.097 1.00 0.00 C ATOM 93 C ILE A 7 6.153 14.401 -8.053 1.00 0.00 C ATOM 94 O ILE A 7 5.224 14.736 -8.791 1.00 0.00 O ATOM 95 CB ILE A 7 7.465 12.741 -9.403 1.00 0.00 C ATOM 96 CG1 ILE A 7 7.836 11.266 -9.617 1.00 0.00 C ATOM 97 CG2 ILE A 7 8.728 13.604 -9.421 1.00 0.00 C ATOM 98 CD1 ILE A 7 8.649 10.685 -8.465 1.00 0.00 C ATOM 0 H ILE A 7 4.923 12.102 -8.752 1.00 0.00 H new ATOM 0 HA ILE A 7 7.366 12.848 -7.250 1.00 0.00 H new ATOM 0 HB ILE A 7 6.804 13.023 -10.222 1.00 0.00 H new ATOM 0 HG12 ILE A 7 6.924 10.682 -9.742 1.00 0.00 H new ATOM 0 HG13 ILE A 7 8.406 11.170 -10.541 1.00 0.00 H new ATOM 0 HG21 ILE A 7 9.273 13.432 -10.349 1.00 0.00 H new ATOM 0 HG22 ILE A 7 8.451 14.656 -9.353 1.00 0.00 H new ATOM 0 HG23 ILE A 7 9.361 13.340 -8.574 1.00 0.00 H new ATOM 0 HD11 ILE A 7 8.881 9.641 -8.674 1.00 0.00 H new ATOM 0 HD12 ILE A 7 9.576 11.247 -8.354 1.00 0.00 H new ATOM 0 HD13 ILE A 7 8.072 10.751 -7.543 1.00 0.00 H new ATOM 110 N LEU A 8 6.732 15.244 -7.194 1.00 0.00 N ATOM 111 CA LEU A 8 6.398 16.657 -7.133 1.00 0.00 C ATOM 112 C LEU A 8 7.280 17.421 -8.127 1.00 0.00 C ATOM 113 O LEU A 8 8.450 17.088 -8.297 1.00 0.00 O ATOM 114 CB LEU A 8 6.578 17.162 -5.696 1.00 0.00 C ATOM 115 CG LEU A 8 5.581 18.248 -5.269 1.00 0.00 C ATOM 116 CD1 LEU A 8 5.994 18.772 -3.898 1.00 0.00 C ATOM 117 CD2 LEU A 8 5.510 19.436 -6.224 1.00 0.00 C ATOM 0 H LEU A 8 7.446 14.959 -6.523 1.00 0.00 H new ATOM 0 HA LEU A 8 5.357 16.820 -7.411 1.00 0.00 H new ATOM 0 HB2 LEU A 8 6.488 16.316 -5.014 1.00 0.00 H new ATOM 0 HB3 LEU A 8 7.590 17.553 -5.587 1.00 0.00 H new ATOM 0 HG LEU A 8 4.596 17.781 -5.263 1.00 0.00 H new ATOM 0 HD11 LEU A 8 5.296 19.546 -3.579 1.00 0.00 H new ATOM 0 HD12 LEU A 8 5.984 17.954 -3.178 1.00 0.00 H new ATOM 0 HD13 LEU A 8 6.998 19.192 -3.956 1.00 0.00 H new ATOM 0 HD21 LEU A 8 4.784 20.159 -5.852 1.00 0.00 H new ATOM 0 HD22 LEU A 8 6.490 19.908 -6.291 1.00 0.00 H new ATOM 0 HD23 LEU A 8 5.205 19.091 -7.212 1.00 0.00 H new ATOM 129 N ILE A 9 6.719 18.440 -8.779 1.00 0.00 N ATOM 130 CA ILE A 9 7.403 19.231 -9.794 1.00 0.00 C ATOM 131 C ILE A 9 7.656 20.637 -9.245 1.00 0.00 C ATOM 132 O ILE A 9 6.709 21.334 -8.886 1.00 0.00 O ATOM 133 CB ILE A 9 6.520 19.248 -11.047 1.00 0.00 C ATOM 134 CG1 ILE A 9 6.342 17.818 -11.577 1.00 0.00 C ATOM 135 CG2 ILE A 9 7.116 20.142 -12.140 1.00 0.00 C ATOM 136 CD1 ILE A 9 5.218 17.746 -12.612 1.00 0.00 C ATOM 0 H ILE A 9 5.759 18.742 -8.611 1.00 0.00 H new ATOM 0 HA ILE A 9 8.372 18.805 -10.056 1.00 0.00 H new ATOM 0 HB ILE A 9 5.549 19.659 -10.771 1.00 0.00 H new ATOM 0 HG12 ILE A 9 7.275 17.475 -12.025 1.00 0.00 H new ATOM 0 HG13 ILE A 9 6.120 17.145 -10.748 1.00 0.00 H new ATOM 0 HG21 ILE A 9 6.465 20.131 -13.014 1.00 0.00 H new ATOM 0 HG22 ILE A 9 7.206 21.162 -11.767 1.00 0.00 H new ATOM 0 HG23 ILE A 9 8.102 19.769 -12.417 1.00 0.00 H new ATOM 0 HD11 ILE A 9 5.117 16.721 -12.968 1.00 0.00 H new ATOM 0 HD12 ILE A 9 4.282 18.066 -12.155 1.00 0.00 H new ATOM 0 HD13 ILE A 9 5.454 18.400 -13.451 1.00 0.00 H new ATOM 148 N VAL A 10 8.925 21.053 -9.181 1.00 0.00 N ATOM 149 CA VAL A 10 9.305 22.347 -8.619 1.00 0.00 C ATOM 150 C VAL A 10 10.272 23.080 -9.546 1.00 0.00 C ATOM 151 O VAL A 10 11.355 22.566 -9.839 1.00 0.00 O ATOM 152 CB VAL A 10 9.971 22.145 -7.251 1.00 0.00 C ATOM 153 CG1 VAL A 10 10.177 23.496 -6.561 1.00 0.00 C ATOM 154 CG2 VAL A 10 9.155 21.232 -6.340 1.00 0.00 C ATOM 0 H VAL A 10 9.714 20.501 -9.517 1.00 0.00 H new ATOM 0 HA VAL A 10 8.402 22.948 -8.507 1.00 0.00 H new ATOM 0 HB VAL A 10 10.933 21.665 -7.431 1.00 0.00 H new ATOM 0 HG11 VAL A 10 10.650 23.341 -5.591 1.00 0.00 H new ATOM 0 HG12 VAL A 10 10.815 24.127 -7.180 1.00 0.00 H new ATOM 0 HG13 VAL A 10 9.212 23.983 -6.420 1.00 0.00 H new ATOM 0 HG21 VAL A 10 9.667 21.120 -5.384 1.00 0.00 H new ATOM 0 HG22 VAL A 10 8.170 21.669 -6.175 1.00 0.00 H new ATOM 0 HG23 VAL A 10 9.044 20.254 -6.809 1.00 0.00 H new ATOM 164 N GLU A 11 9.898 24.277 -10.008 1.00 0.00 N ATOM 165 CA GLU A 11 10.772 25.083 -10.851 1.00 0.00 C ATOM 166 C GLU A 11 10.394 26.561 -10.774 1.00 0.00 C ATOM 167 O GLU A 11 9.268 26.903 -10.416 1.00 0.00 O ATOM 168 CB GLU A 11 10.707 24.565 -12.289 1.00 0.00 C ATOM 169 CG GLU A 11 11.793 25.229 -13.138 1.00 0.00 C ATOM 170 CD GLU A 11 11.961 24.563 -14.499 1.00 0.00 C ATOM 171 OE1 GLU A 11 12.343 25.293 -15.444 1.00 0.00 O ATOM 172 OE2 GLU A 11 11.718 23.340 -14.596 1.00 0.00 O ATOM 0 H GLU A 11 8.994 24.705 -9.809 1.00 0.00 H new ATOM 0 HA GLU A 11 11.798 24.995 -10.492 1.00 0.00 H new ATOM 0 HB2 GLU A 11 10.837 23.483 -12.300 1.00 0.00 H new ATOM 0 HB3 GLU A 11 9.725 24.772 -12.714 1.00 0.00 H new ATOM 0 HG2 GLU A 11 11.545 26.281 -13.280 1.00 0.00 H new ATOM 0 HG3 GLU A 11 12.741 25.194 -12.601 1.00 0.00 H new ATOM 179 N ASP A 12 11.340 27.442 -11.113 1.00 0.00 N ATOM 180 CA ASP A 12 11.153 28.887 -11.072 1.00 0.00 C ATOM 181 C ASP A 12 10.266 29.387 -12.217 1.00 0.00 C ATOM 182 O ASP A 12 9.894 30.558 -12.240 1.00 0.00 O ATOM 183 CB ASP A 12 12.534 29.543 -11.119 1.00 0.00 C ATOM 184 CG ASP A 12 12.456 31.058 -10.946 1.00 0.00 C ATOM 185 OD1 ASP A 12 12.068 31.494 -9.838 1.00 0.00 O ATOM 186 OD2 ASP A 12 12.788 31.769 -11.922 1.00 0.00 O ATOM 0 H ASP A 12 12.269 27.163 -11.428 1.00 0.00 H new ATOM 0 HA ASP A 12 10.636 29.157 -10.151 1.00 0.00 H new ATOM 0 HB2 ASP A 12 13.162 29.121 -10.335 1.00 0.00 H new ATOM 0 HB3 ASP A 12 13.013 29.311 -12.070 1.00 0.00 H new ATOM 191 N GLU A 13 9.925 28.508 -13.167 1.00 0.00 N ATOM 192 CA GLU A 13 9.087 28.855 -14.306 1.00 0.00 C ATOM 193 C GLU A 13 7.940 27.852 -14.433 1.00 0.00 C ATOM 194 O GLU A 13 8.174 26.645 -14.383 1.00 0.00 O ATOM 195 CB GLU A 13 9.920 28.859 -15.591 1.00 0.00 C ATOM 196 CG GLU A 13 10.963 29.977 -15.606 1.00 0.00 C ATOM 197 CD GLU A 13 10.330 31.367 -15.662 1.00 0.00 C ATOM 198 OE1 GLU A 13 11.019 32.335 -15.264 1.00 0.00 O ATOM 199 OE2 GLU A 13 9.162 31.468 -16.101 1.00 0.00 O ATOM 0 H GLU A 13 10.227 27.534 -13.161 1.00 0.00 H new ATOM 0 HA GLU A 13 8.674 29.852 -14.150 1.00 0.00 H new ATOM 0 HB2 GLU A 13 10.421 27.897 -15.699 1.00 0.00 H new ATOM 0 HB3 GLU A 13 9.258 28.972 -16.450 1.00 0.00 H new ATOM 0 HG2 GLU A 13 11.586 29.901 -14.715 1.00 0.00 H new ATOM 0 HG3 GLU A 13 11.620 29.845 -16.466 1.00 0.00 H new ATOM 206 N PRO A 14 6.699 28.330 -14.600 1.00 0.00 N ATOM 207 CA PRO A 14 5.523 27.483 -14.693 1.00 0.00 C ATOM 208 C PRO A 14 5.408 26.839 -16.072 1.00 0.00 C ATOM 209 O PRO A 14 4.697 25.846 -16.226 1.00 0.00 O ATOM 210 CB PRO A 14 4.350 28.430 -14.442 1.00 0.00 C ATOM 211 CG PRO A 14 4.846 29.745 -15.036 1.00 0.00 C ATOM 212 CD PRO A 14 6.332 29.730 -14.691 1.00 0.00 C ATOM 0 HA PRO A 14 5.558 26.659 -13.980 1.00 0.00 H new ATOM 0 HB2 PRO A 14 3.439 28.084 -14.930 1.00 0.00 H new ATOM 0 HB3 PRO A 14 4.126 28.525 -13.379 1.00 0.00 H new ATOM 0 HG2 PRO A 14 4.681 29.791 -16.112 1.00 0.00 H new ATOM 0 HG3 PRO A 14 4.337 30.604 -14.599 1.00 0.00 H new ATOM 0 HD2 PRO A 14 6.917 30.239 -15.457 1.00 0.00 H new ATOM 0 HD3 PRO A 14 6.521 30.246 -13.750 1.00 0.00 H new ATOM 220 N LEU A 15 6.095 27.385 -17.081 1.00 0.00 N ATOM 221 CA LEU A 15 5.993 26.870 -18.435 1.00 0.00 C ATOM 222 C LEU A 15 6.681 25.511 -18.550 1.00 0.00 C ATOM 223 O LEU A 15 6.223 24.649 -19.296 1.00 0.00 O ATOM 224 CB LEU A 15 6.620 27.879 -19.404 1.00 0.00 C ATOM 225 CG LEU A 15 5.939 29.252 -19.355 1.00 0.00 C ATOM 226 CD1 LEU A 15 6.638 30.188 -20.336 1.00 0.00 C ATOM 227 CD2 LEU A 15 4.460 29.159 -19.727 1.00 0.00 C ATOM 0 H LEU A 15 6.724 28.181 -16.978 1.00 0.00 H new ATOM 0 HA LEU A 15 4.942 26.731 -18.689 1.00 0.00 H new ATOM 0 HB2 LEU A 15 7.678 27.994 -19.167 1.00 0.00 H new ATOM 0 HB3 LEU A 15 6.562 27.486 -20.419 1.00 0.00 H new ATOM 0 HG LEU A 15 6.012 29.632 -18.336 1.00 0.00 H new ATOM 0 HD11 LEU A 15 6.160 31.167 -20.308 1.00 0.00 H new ATOM 0 HD12 LEU A 15 7.687 30.288 -20.059 1.00 0.00 H new ATOM 0 HD13 LEU A 15 6.567 29.778 -21.344 1.00 0.00 H new ATOM 0 HD21 LEU A 15 4.010 30.151 -19.681 1.00 0.00 H new ATOM 0 HD22 LEU A 15 4.363 28.763 -20.738 1.00 0.00 H new ATOM 0 HD23 LEU A 15 3.950 28.497 -19.027 1.00 0.00 H new ATOM 239 N ILE A 16 7.778 25.311 -17.813 1.00 0.00 N ATOM 240 CA ILE A 16 8.484 24.039 -17.829 1.00 0.00 C ATOM 241 C ILE A 16 7.855 23.094 -16.809 1.00 0.00 C ATOM 242 O ILE A 16 7.970 21.880 -16.941 1.00 0.00 O ATOM 243 CB ILE A 16 9.977 24.263 -17.559 1.00 0.00 C ATOM 244 CG1 ILE A 16 10.579 25.294 -18.525 1.00 0.00 C ATOM 245 CG2 ILE A 16 10.741 22.941 -17.676 1.00 0.00 C ATOM 246 CD1 ILE A 16 10.427 24.902 -19.995 1.00 0.00 C ATOM 0 H ILE A 16 8.191 26.015 -17.201 1.00 0.00 H new ATOM 0 HA ILE A 16 8.397 23.578 -18.813 1.00 0.00 H new ATOM 0 HB ILE A 16 10.072 24.652 -16.545 1.00 0.00 H new ATOM 0 HG12 ILE A 16 10.099 26.259 -18.361 1.00 0.00 H new ATOM 0 HG13 ILE A 16 11.637 25.421 -18.297 1.00 0.00 H new ATOM 0 HG21 ILE A 16 11.800 23.114 -17.482 1.00 0.00 H new ATOM 0 HG22 ILE A 16 10.350 22.229 -16.949 1.00 0.00 H new ATOM 0 HG23 ILE A 16 10.618 22.537 -18.681 1.00 0.00 H new ATOM 0 HD11 ILE A 16 10.873 25.672 -20.625 1.00 0.00 H new ATOM 0 HD12 ILE A 16 10.931 23.952 -20.172 1.00 0.00 H new ATOM 0 HD13 ILE A 16 9.369 24.802 -20.237 1.00 0.00 H new ATOM 258 N ALA A 17 7.181 23.636 -15.789 1.00 0.00 N ATOM 259 CA ALA A 17 6.513 22.800 -14.809 1.00 0.00 C ATOM 260 C ALA A 17 5.329 22.082 -15.458 1.00 0.00 C ATOM 261 O ALA A 17 5.052 20.931 -15.127 1.00 0.00 O ATOM 262 CB ALA A 17 6.055 23.667 -13.637 1.00 0.00 C ATOM 0 H ALA A 17 7.089 24.639 -15.629 1.00 0.00 H new ATOM 0 HA ALA A 17 7.202 22.043 -14.435 1.00 0.00 H new ATOM 0 HB1 ALA A 17 5.552 23.043 -12.898 1.00 0.00 H new ATOM 0 HB2 ALA A 17 6.920 24.147 -13.179 1.00 0.00 H new ATOM 0 HB3 ALA A 17 5.365 24.430 -13.997 1.00 0.00 H new ATOM 268 N MET A 18 4.635 22.751 -16.384 1.00 0.00 N ATOM 269 CA MET A 18 3.535 22.135 -17.114 1.00 0.00 C ATOM 270 C MET A 18 4.078 21.219 -18.209 1.00 0.00 C ATOM 271 O MET A 18 3.418 20.255 -18.596 1.00 0.00 O ATOM 272 CB MET A 18 2.644 23.226 -17.712 1.00 0.00 C ATOM 273 CG MET A 18 1.969 24.027 -16.600 1.00 0.00 C ATOM 274 SD MET A 18 0.937 25.390 -17.198 1.00 0.00 S ATOM 275 CE MET A 18 0.388 26.050 -15.602 1.00 0.00 C ATOM 0 H MET A 18 4.820 23.720 -16.642 1.00 0.00 H new ATOM 0 HA MET A 18 2.939 21.531 -16.430 1.00 0.00 H new ATOM 0 HB2 MET A 18 3.241 23.890 -18.337 1.00 0.00 H new ATOM 0 HB3 MET A 18 1.888 22.776 -18.356 1.00 0.00 H new ATOM 0 HG2 MET A 18 1.354 23.354 -16.003 1.00 0.00 H new ATOM 0 HG3 MET A 18 2.736 24.429 -15.938 1.00 0.00 H new ATOM 0 HE1 MET A 18 -0.266 26.906 -15.768 1.00 0.00 H new ATOM 0 HE2 MET A 18 -0.156 25.278 -15.057 1.00 0.00 H new ATOM 0 HE3 MET A 18 1.255 26.363 -15.020 1.00 0.00 H new ATOM 285 N MET A 19 5.281 21.509 -18.715 1.00 0.00 N ATOM 286 CA MET A 19 5.931 20.645 -19.685 1.00 0.00 C ATOM 287 C MET A 19 6.341 19.339 -19.004 1.00 0.00 C ATOM 288 O MET A 19 6.392 18.293 -19.653 1.00 0.00 O ATOM 289 CB MET A 19 7.139 21.386 -20.260 1.00 0.00 C ATOM 290 CG MET A 19 7.772 20.633 -21.428 1.00 0.00 C ATOM 291 SD MET A 19 9.126 21.558 -22.205 1.00 0.00 S ATOM 292 CE MET A 19 9.545 20.422 -23.551 1.00 0.00 C ATOM 0 H MET A 19 5.819 22.338 -18.464 1.00 0.00 H new ATOM 0 HA MET A 19 5.254 20.395 -20.502 1.00 0.00 H new ATOM 0 HB2 MET A 19 6.831 22.377 -20.593 1.00 0.00 H new ATOM 0 HB3 MET A 19 7.883 21.529 -19.476 1.00 0.00 H new ATOM 0 HG2 MET A 19 8.149 19.673 -21.075 1.00 0.00 H new ATOM 0 HG3 MET A 19 7.007 20.420 -22.175 1.00 0.00 H new ATOM 0 HE1 MET A 19 10.278 20.890 -24.207 1.00 0.00 H new ATOM 0 HE2 MET A 19 9.963 19.505 -23.136 1.00 0.00 H new ATOM 0 HE3 MET A 19 8.646 20.186 -24.121 1.00 0.00 H new ATOM 302 N LEU A 20 6.628 19.392 -17.700 1.00 0.00 N ATOM 303 CA LEU A 20 6.963 18.202 -16.931 1.00 0.00 C ATOM 304 C LEU A 20 5.717 17.352 -16.710 1.00 0.00 C ATOM 305 O LEU A 20 5.819 16.128 -16.661 1.00 0.00 O ATOM 306 CB LEU A 20 7.578 18.618 -15.592 1.00 0.00 C ATOM 307 CG LEU A 20 9.084 18.351 -15.522 1.00 0.00 C ATOM 308 CD1 LEU A 20 9.340 16.847 -15.490 1.00 0.00 C ATOM 309 CD2 LEU A 20 9.825 19.011 -16.682 1.00 0.00 C ATOM 0 H LEU A 20 6.633 20.255 -17.157 1.00 0.00 H new ATOM 0 HA LEU A 20 7.689 17.605 -17.483 1.00 0.00 H new ATOM 0 HB2 LEU A 20 7.394 19.680 -15.427 1.00 0.00 H new ATOM 0 HB3 LEU A 20 7.080 18.079 -14.786 1.00 0.00 H new ATOM 0 HG LEU A 20 9.471 18.794 -14.604 1.00 0.00 H new ATOM 0 HD11 LEU A 20 10.413 16.662 -15.440 1.00 0.00 H new ATOM 0 HD12 LEU A 20 8.856 16.414 -14.615 1.00 0.00 H new ATOM 0 HD13 LEU A 20 8.934 16.390 -16.392 1.00 0.00 H new ATOM 0 HD21 LEU A 20 10.891 18.800 -16.600 1.00 0.00 H new ATOM 0 HD22 LEU A 20 9.449 18.616 -17.626 1.00 0.00 H new ATOM 0 HD23 LEU A 20 9.665 20.089 -16.650 1.00 0.00 H new ATOM 321 N GLU A 21 4.542 17.973 -16.577 1.00 0.00 N ATOM 322 CA GLU A 21 3.318 17.201 -16.430 1.00 0.00 C ATOM 323 C GLU A 21 2.992 16.483 -17.735 1.00 0.00 C ATOM 324 O GLU A 21 2.310 15.464 -17.717 1.00 0.00 O ATOM 325 CB GLU A 21 2.147 18.104 -16.033 1.00 0.00 C ATOM 326 CG GLU A 21 2.384 18.802 -14.696 1.00 0.00 C ATOM 327 CD GLU A 21 1.105 19.485 -14.222 1.00 0.00 C ATOM 328 OE1 GLU A 21 0.783 20.562 -14.769 1.00 0.00 O ATOM 329 OE2 GLU A 21 0.454 18.923 -13.312 1.00 0.00 O ATOM 0 H GLU A 21 4.418 18.985 -16.569 1.00 0.00 H new ATOM 0 HA GLU A 21 3.473 16.466 -15.640 1.00 0.00 H new ATOM 0 HB2 GLU A 21 1.989 18.853 -16.809 1.00 0.00 H new ATOM 0 HB3 GLU A 21 1.236 17.509 -15.974 1.00 0.00 H new ATOM 0 HG2 GLU A 21 2.714 18.076 -13.953 1.00 0.00 H new ATOM 0 HG3 GLU A 21 3.181 19.538 -14.799 1.00 0.00 H new ATOM 336 N ASP A 22 3.471 17.002 -18.872 1.00 0.00 N ATOM 337 CA ASP A 22 3.179 16.398 -20.163 1.00 0.00 C ATOM 338 C ASP A 22 3.959 15.098 -20.358 1.00 0.00 C ATOM 339 O ASP A 22 3.398 14.115 -20.834 1.00 0.00 O ATOM 340 CB ASP A 22 3.496 17.399 -21.275 1.00 0.00 C ATOM 341 CG ASP A 22 3.088 16.853 -22.640 1.00 0.00 C ATOM 342 OD1 ASP A 22 1.867 16.850 -22.918 1.00 0.00 O ATOM 343 OD2 ASP A 22 3.997 16.445 -23.397 1.00 0.00 O ATOM 0 H ASP A 22 4.059 17.834 -18.917 1.00 0.00 H new ATOM 0 HA ASP A 22 2.119 16.145 -20.201 1.00 0.00 H new ATOM 0 HB2 ASP A 22 2.974 18.336 -21.084 1.00 0.00 H new ATOM 0 HB3 ASP A 22 4.563 17.623 -21.274 1.00 0.00 H new ATOM 348 N PHE A 23 5.249 15.072 -19.999 1.00 0.00 N ATOM 349 CA PHE A 23 6.030 13.852 -20.162 1.00 0.00 C ATOM 350 C PHE A 23 5.656 12.795 -19.125 1.00 0.00 C ATOM 351 O PHE A 23 5.890 11.610 -19.358 1.00 0.00 O ATOM 352 CB PHE A 23 7.525 14.169 -20.114 1.00 0.00 C ATOM 353 CG PHE A 23 8.038 14.825 -21.377 1.00 0.00 C ATOM 354 CD1 PHE A 23 8.169 16.219 -21.453 1.00 0.00 C ATOM 355 CD2 PHE A 23 8.378 14.034 -22.484 1.00 0.00 C ATOM 356 CE1 PHE A 23 8.617 16.821 -22.638 1.00 0.00 C ATOM 357 CE2 PHE A 23 8.837 14.636 -23.664 1.00 0.00 C ATOM 358 CZ PHE A 23 8.955 16.028 -23.745 1.00 0.00 C ATOM 0 H PHE A 23 5.758 15.863 -19.604 1.00 0.00 H new ATOM 0 HA PHE A 23 5.795 13.433 -21.140 1.00 0.00 H new ATOM 0 HB2 PHE A 23 7.723 14.824 -19.266 1.00 0.00 H new ATOM 0 HB3 PHE A 23 8.080 13.247 -19.941 1.00 0.00 H new ATOM 0 HD1 PHE A 23 7.924 16.831 -20.597 1.00 0.00 H new ATOM 0 HD2 PHE A 23 8.286 12.959 -22.427 1.00 0.00 H new ATOM 0 HE1 PHE A 23 8.702 17.896 -22.698 1.00 0.00 H new ATOM 0 HE2 PHE A 23 9.100 14.023 -24.513 1.00 0.00 H new ATOM 0 HZ PHE A 23 9.305 16.490 -24.656 1.00 0.00 H new ATOM 368 N LEU A 24 5.076 13.192 -17.989 1.00 0.00 N ATOM 369 CA LEU A 24 4.653 12.221 -16.992 1.00 0.00 C ATOM 370 C LEU A 24 3.323 11.576 -17.390 1.00 0.00 C ATOM 371 O LEU A 24 2.977 10.518 -16.868 1.00 0.00 O ATOM 372 CB LEU A 24 4.587 12.876 -15.607 1.00 0.00 C ATOM 373 CG LEU A 24 5.890 12.668 -14.825 1.00 0.00 C ATOM 374 CD1 LEU A 24 7.106 13.264 -15.528 1.00 0.00 C ATOM 375 CD2 LEU A 24 5.766 13.299 -13.443 1.00 0.00 C ATOM 0 H LEU A 24 4.893 14.165 -17.744 1.00 0.00 H new ATOM 0 HA LEU A 24 5.391 11.421 -16.942 1.00 0.00 H new ATOM 0 HB2 LEU A 24 4.394 13.943 -15.717 1.00 0.00 H new ATOM 0 HB3 LEU A 24 3.753 12.457 -15.044 1.00 0.00 H new ATOM 0 HG LEU A 24 6.043 11.591 -14.752 1.00 0.00 H new ATOM 0 HD11 LEU A 24 7.998 13.085 -14.927 1.00 0.00 H new ATOM 0 HD12 LEU A 24 7.227 12.796 -16.505 1.00 0.00 H new ATOM 0 HD13 LEU A 24 6.963 14.337 -15.655 1.00 0.00 H new ATOM 0 HD21 LEU A 24 6.693 13.149 -12.890 1.00 0.00 H new ATOM 0 HD22 LEU A 24 5.574 14.367 -13.547 1.00 0.00 H new ATOM 0 HD23 LEU A 24 4.942 12.833 -12.903 1.00 0.00 H new ATOM 387 N GLU A 25 2.569 12.191 -18.309 1.00 0.00 N ATOM 388 CA GLU A 25 1.354 11.573 -18.836 1.00 0.00 C ATOM 389 C GLU A 25 1.690 10.641 -19.995 1.00 0.00 C ATOM 390 O GLU A 25 0.912 9.738 -20.305 1.00 0.00 O ATOM 391 CB GLU A 25 0.360 12.652 -19.268 1.00 0.00 C ATOM 392 CG GLU A 25 -0.246 13.332 -18.039 1.00 0.00 C ATOM 393 CD GLU A 25 -1.289 14.374 -18.440 1.00 0.00 C ATOM 394 OE1 GLU A 25 -2.423 14.284 -17.915 1.00 0.00 O ATOM 395 OE2 GLU A 25 -0.956 15.255 -19.264 1.00 0.00 O ATOM 0 H GLU A 25 2.780 13.110 -18.699 1.00 0.00 H new ATOM 0 HA GLU A 25 0.891 10.977 -18.050 1.00 0.00 H new ATOM 0 HB2 GLU A 25 0.863 13.392 -19.891 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -0.430 12.208 -19.874 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -0.706 12.582 -17.396 1.00 0.00 H new ATOM 0 HG3 GLU A 25 0.543 13.809 -17.458 1.00 0.00 H new ATOM 402 N VAL A 26 2.842 10.844 -20.642 1.00 0.00 N ATOM 403 CA VAL A 26 3.313 9.973 -21.714 1.00 0.00 C ATOM 404 C VAL A 26 4.032 8.751 -21.130 1.00 0.00 C ATOM 405 O VAL A 26 4.181 7.736 -21.810 1.00 0.00 O ATOM 406 CB VAL A 26 4.220 10.776 -22.654 1.00 0.00 C ATOM 407 CG1 VAL A 26 4.861 9.904 -23.732 1.00 0.00 C ATOM 408 CG2 VAL A 26 3.394 11.847 -23.364 1.00 0.00 C ATOM 0 H VAL A 26 3.472 11.619 -20.434 1.00 0.00 H new ATOM 0 HA VAL A 26 2.466 9.601 -22.291 1.00 0.00 H new ATOM 0 HB VAL A 26 5.007 11.211 -22.038 1.00 0.00 H new ATOM 0 HG11 VAL A 26 5.493 10.521 -24.371 1.00 0.00 H new ATOM 0 HG12 VAL A 26 5.467 9.130 -23.261 1.00 0.00 H new ATOM 0 HG13 VAL A 26 4.081 9.438 -24.335 1.00 0.00 H new ATOM 0 HG21 VAL A 26 4.037 12.419 -24.033 1.00 0.00 H new ATOM 0 HG22 VAL A 26 2.601 11.372 -23.942 1.00 0.00 H new ATOM 0 HG23 VAL A 26 2.953 12.516 -22.625 1.00 0.00 H new ATOM 418 N LEU A 27 4.475 8.843 -19.872 1.00 0.00 N ATOM 419 CA LEU A 27 5.175 7.761 -19.187 1.00 0.00 C ATOM 420 C LEU A 27 4.281 7.068 -18.154 1.00 0.00 C ATOM 421 O LEU A 27 4.776 6.351 -17.286 1.00 0.00 O ATOM 422 CB LEU A 27 6.476 8.294 -18.574 1.00 0.00 C ATOM 423 CG LEU A 27 7.451 8.809 -19.640 1.00 0.00 C ATOM 424 CD1 LEU A 27 8.661 9.435 -18.956 1.00 0.00 C ATOM 425 CD2 LEU A 27 7.934 7.679 -20.549 1.00 0.00 C ATOM 0 H LEU A 27 4.355 9.679 -19.299 1.00 0.00 H new ATOM 0 HA LEU A 27 5.434 6.993 -19.916 1.00 0.00 H new ATOM 0 HB2 LEU A 27 6.244 9.099 -17.877 1.00 0.00 H new ATOM 0 HB3 LEU A 27 6.955 7.502 -17.998 1.00 0.00 H new ATOM 0 HG LEU A 27 6.926 9.545 -20.248 1.00 0.00 H new ATOM 0 HD11 LEU A 27 9.356 9.802 -19.711 1.00 0.00 H new ATOM 0 HD12 LEU A 27 8.335 10.265 -18.328 1.00 0.00 H new ATOM 0 HD13 LEU A 27 9.158 8.686 -18.339 1.00 0.00 H new ATOM 0 HD21 LEU A 27 8.623 8.079 -21.292 1.00 0.00 H new ATOM 0 HD22 LEU A 27 8.444 6.924 -19.951 1.00 0.00 H new ATOM 0 HD23 LEU A 27 7.080 7.227 -21.053 1.00 0.00 H new ATOM 437 N ASP A 28 2.962 7.282 -18.244 1.00 0.00 N ATOM 438 CA ASP A 28 1.977 6.658 -17.364 1.00 0.00 C ATOM 439 C ASP A 28 2.312 6.848 -15.881 1.00 0.00 C ATOM 440 O ASP A 28 2.064 5.968 -15.056 1.00 0.00 O ATOM 441 CB ASP A 28 1.780 5.192 -17.767 1.00 0.00 C ATOM 442 CG ASP A 28 0.590 4.558 -17.050 1.00 0.00 C ATOM 443 OD1 ASP A 28 -0.474 5.216 -16.995 1.00 0.00 O ATOM 444 OD2 ASP A 28 0.750 3.416 -16.566 1.00 0.00 O ATOM 0 H ASP A 28 2.548 7.902 -18.940 1.00 0.00 H new ATOM 0 HA ASP A 28 1.021 7.165 -17.492 1.00 0.00 H new ATOM 0 HB2 ASP A 28 1.630 5.129 -18.845 1.00 0.00 H new ATOM 0 HB3 ASP A 28 2.684 4.628 -17.538 1.00 0.00 H new ATOM 449 N LYS A 29 2.884 8.007 -15.539 1.00 0.00 N ATOM 450 CA LYS A 29 3.275 8.344 -14.176 1.00 0.00 C ATOM 451 C LYS A 29 2.091 8.949 -13.421 1.00 0.00 C ATOM 452 O LYS A 29 1.096 9.328 -14.037 1.00 0.00 O ATOM 453 CB LYS A 29 4.459 9.318 -14.246 1.00 0.00 C ATOM 454 CG LYS A 29 5.678 8.828 -13.458 1.00 0.00 C ATOM 455 CD LYS A 29 5.381 8.765 -11.962 1.00 0.00 C ATOM 456 CE LYS A 29 6.672 8.506 -11.186 1.00 0.00 C ATOM 457 NZ LYS A 29 7.250 7.193 -11.519 1.00 0.00 N ATOM 0 H LYS A 29 3.089 8.744 -16.214 1.00 0.00 H new ATOM 0 HA LYS A 29 3.578 7.450 -13.631 1.00 0.00 H new ATOM 0 HB2 LYS A 29 4.741 9.465 -15.288 1.00 0.00 H new ATOM 0 HB3 LYS A 29 4.148 10.289 -13.860 1.00 0.00 H new ATOM 0 HG2 LYS A 29 5.972 7.841 -13.815 1.00 0.00 H new ATOM 0 HG3 LYS A 29 6.521 9.495 -13.636 1.00 0.00 H new ATOM 0 HD2 LYS A 29 4.930 9.701 -11.632 1.00 0.00 H new ATOM 0 HD3 LYS A 29 4.659 7.974 -11.759 1.00 0.00 H new ATOM 0 HE2 LYS A 29 7.395 9.290 -11.410 1.00 0.00 H new ATOM 0 HE3 LYS A 29 6.470 8.555 -10.116 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 7.276 6.599 -10.666 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 6.667 6.731 -12.245 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 8.217 7.321 -11.881 1.00 0.00 H new ATOM 471 N THR A 30 2.192 9.041 -12.091 1.00 0.00 N ATOM 472 CA THR A 30 1.145 9.625 -11.258 1.00 0.00 C ATOM 473 C THR A 30 1.655 10.898 -10.580 1.00 0.00 C ATOM 474 O THR A 30 1.994 10.870 -9.400 1.00 0.00 O ATOM 475 CB THR A 30 0.642 8.587 -10.241 1.00 0.00 C ATOM 476 OG1 THR A 30 0.318 7.391 -10.914 1.00 0.00 O ATOM 477 CG2 THR A 30 -0.614 9.099 -9.537 1.00 0.00 C ATOM 0 H THR A 30 3.002 8.712 -11.566 1.00 0.00 H new ATOM 0 HA THR A 30 0.298 9.909 -11.883 1.00 0.00 H new ATOM 0 HB THR A 30 1.428 8.412 -9.506 1.00 0.00 H new ATOM 0 HG1 THR A 30 -0.001 6.728 -10.267 1.00 0.00 H new ATOM 0 HG21 THR A 30 -0.959 8.354 -8.820 1.00 0.00 H new ATOM 0 HG22 THR A 30 -0.385 10.027 -9.014 1.00 0.00 H new ATOM 0 HG23 THR A 30 -1.396 9.282 -10.274 1.00 0.00 H new ATOM 485 N PRO A 31 1.723 12.025 -11.305 1.00 0.00 N ATOM 486 CA PRO A 31 2.162 13.295 -10.755 1.00 0.00 C ATOM 487 C PRO A 31 1.193 13.764 -9.673 1.00 0.00 C ATOM 488 O PRO A 31 0.034 13.350 -9.655 1.00 0.00 O ATOM 489 CB PRO A 31 2.204 14.265 -11.939 1.00 0.00 C ATOM 490 CG PRO A 31 1.191 13.671 -12.912 1.00 0.00 C ATOM 491 CD PRO A 31 1.355 12.171 -12.698 1.00 0.00 C ATOM 0 HA PRO A 31 3.140 13.224 -10.279 1.00 0.00 H new ATOM 0 HB2 PRO A 31 1.930 15.277 -11.640 1.00 0.00 H new ATOM 0 HB3 PRO A 31 3.200 14.321 -12.379 1.00 0.00 H new ATOM 0 HG2 PRO A 31 0.176 14.002 -12.691 1.00 0.00 H new ATOM 0 HG3 PRO A 31 1.403 13.958 -13.942 1.00 0.00 H new ATOM 0 HD2 PRO A 31 0.430 11.638 -12.919 1.00 0.00 H new ATOM 0 HD3 PRO A 31 2.123 11.761 -13.353 1.00 0.00 H new ATOM 499 N VAL A 32 1.661 14.627 -8.763 1.00 0.00 N ATOM 500 CA VAL A 32 0.863 15.055 -7.618 1.00 0.00 C ATOM 501 C VAL A 32 0.658 16.567 -7.561 1.00 0.00 C ATOM 502 O VAL A 32 -0.206 17.025 -6.817 1.00 0.00 O ATOM 503 CB VAL A 32 1.486 14.531 -6.322 1.00 0.00 C ATOM 504 CG1 VAL A 32 1.545 13.007 -6.349 1.00 0.00 C ATOM 505 CG2 VAL A 32 2.912 15.043 -6.117 1.00 0.00 C ATOM 0 H VAL A 32 2.592 15.041 -8.802 1.00 0.00 H new ATOM 0 HA VAL A 32 -0.131 14.625 -7.739 1.00 0.00 H new ATOM 0 HB VAL A 32 0.857 14.890 -5.508 1.00 0.00 H new ATOM 0 HG11 VAL A 32 1.990 12.644 -5.423 1.00 0.00 H new ATOM 0 HG12 VAL A 32 0.537 12.606 -6.449 1.00 0.00 H new ATOM 0 HG13 VAL A 32 2.151 12.681 -7.195 1.00 0.00 H new ATOM 0 HG21 VAL A 32 3.311 14.644 -5.185 1.00 0.00 H new ATOM 0 HG22 VAL A 32 3.538 14.718 -6.948 1.00 0.00 H new ATOM 0 HG23 VAL A 32 2.905 16.132 -6.072 1.00 0.00 H new ATOM 515 N GLY A 33 1.427 17.347 -8.325 1.00 0.00 N ATOM 516 CA GLY A 33 1.233 18.787 -8.360 1.00 0.00 C ATOM 517 C GLY A 33 2.415 19.525 -8.973 1.00 0.00 C ATOM 518 O GLY A 33 3.430 18.924 -9.318 1.00 0.00 O ATOM 0 H GLY A 33 2.181 17.004 -8.920 1.00 0.00 H new ATOM 0 HA2 GLY A 33 0.333 19.014 -8.931 1.00 0.00 H new ATOM 0 HA3 GLY A 33 1.068 19.152 -7.346 1.00 0.00 H new ATOM 522 N THR A 34 2.262 20.846 -9.099 1.00 0.00 N ATOM 523 CA THR A 34 3.298 21.751 -9.576 1.00 0.00 C ATOM 524 C THR A 34 3.352 22.964 -8.660 1.00 0.00 C ATOM 525 O THR A 34 2.312 23.462 -8.230 1.00 0.00 O ATOM 526 CB THR A 34 3.017 22.202 -11.016 1.00 0.00 C ATOM 527 OG1 THR A 34 1.721 22.747 -11.121 1.00 0.00 O ATOM 528 CG2 THR A 34 3.127 21.036 -11.994 1.00 0.00 C ATOM 0 H THR A 34 1.391 21.322 -8.865 1.00 0.00 H new ATOM 0 HA THR A 34 4.254 21.228 -9.567 1.00 0.00 H new ATOM 0 HB THR A 34 3.763 22.956 -11.266 1.00 0.00 H new ATOM 0 HG1 THR A 34 1.559 23.031 -12.045 1.00 0.00 H new ATOM 0 HG21 THR A 34 2.922 21.388 -13.005 1.00 0.00 H new ATOM 0 HG22 THR A 34 4.133 20.619 -11.952 1.00 0.00 H new ATOM 0 HG23 THR A 34 2.404 20.266 -11.725 1.00 0.00 H new ATOM 536 N VAL A 35 4.561 23.446 -8.361 1.00 0.00 N ATOM 537 CA VAL A 35 4.750 24.610 -7.505 1.00 0.00 C ATOM 538 C VAL A 35 5.895 25.471 -8.034 1.00 0.00 C ATOM 539 O VAL A 35 6.795 24.980 -8.718 1.00 0.00 O ATOM 540 CB VAL A 35 5.004 24.190 -6.053 1.00 0.00 C ATOM 541 CG1 VAL A 35 3.785 23.482 -5.460 1.00 0.00 C ATOM 542 CG2 VAL A 35 6.201 23.250 -5.945 1.00 0.00 C ATOM 0 H VAL A 35 5.430 23.039 -8.706 1.00 0.00 H new ATOM 0 HA VAL A 35 3.835 25.203 -7.521 1.00 0.00 H new ATOM 0 HB VAL A 35 5.207 25.105 -5.497 1.00 0.00 H new ATOM 0 HG11 VAL A 35 3.996 23.196 -4.429 1.00 0.00 H new ATOM 0 HG12 VAL A 35 2.927 24.154 -5.482 1.00 0.00 H new ATOM 0 HG13 VAL A 35 3.562 22.590 -6.045 1.00 0.00 H new ATOM 0 HG21 VAL A 35 6.353 22.972 -4.902 1.00 0.00 H new ATOM 0 HG22 VAL A 35 6.014 22.353 -6.536 1.00 0.00 H new ATOM 0 HG23 VAL A 35 7.093 23.752 -6.320 1.00 0.00 H new ATOM 552 N ASP A 36 5.851 26.767 -7.706 1.00 0.00 N ATOM 553 CA ASP A 36 6.817 27.740 -8.197 1.00 0.00 C ATOM 554 C ASP A 36 7.856 28.102 -7.136 1.00 0.00 C ATOM 555 O ASP A 36 8.760 28.892 -7.404 1.00 0.00 O ATOM 556 CB ASP A 36 6.077 28.988 -8.681 1.00 0.00 C ATOM 557 CG ASP A 36 5.093 28.653 -9.796 1.00 0.00 C ATOM 558 OD1 ASP A 36 5.562 28.452 -10.938 1.00 0.00 O ATOM 559 OD2 ASP A 36 3.878 28.598 -9.497 1.00 0.00 O ATOM 0 H ASP A 36 5.141 27.165 -7.091 1.00 0.00 H new ATOM 0 HA ASP A 36 7.361 27.292 -9.029 1.00 0.00 H new ATOM 0 HB2 ASP A 36 5.543 29.443 -7.847 1.00 0.00 H new ATOM 0 HB3 ASP A 36 6.797 29.724 -9.038 1.00 0.00 H new ATOM 564 N THR A 37 7.735 27.530 -5.933 1.00 0.00 N ATOM 565 CA THR A 37 8.643 27.814 -4.829 1.00 0.00 C ATOM 566 C THR A 37 8.936 26.544 -4.039 1.00 0.00 C ATOM 567 O THR A 37 8.183 25.571 -4.101 1.00 0.00 O ATOM 568 CB THR A 37 8.046 28.872 -3.893 1.00 0.00 C ATOM 569 OG1 THR A 37 6.852 28.384 -3.323 1.00 0.00 O ATOM 570 CG2 THR A 37 7.752 30.177 -4.632 1.00 0.00 C ATOM 0 H THR A 37 7.003 26.858 -5.703 1.00 0.00 H new ATOM 0 HA THR A 37 9.573 28.197 -5.250 1.00 0.00 H new ATOM 0 HB THR A 37 8.780 29.078 -3.114 1.00 0.00 H new ATOM 0 HG1 THR A 37 6.474 29.062 -2.724 1.00 0.00 H new ATOM 0 HG21 THR A 37 7.330 30.902 -3.936 1.00 0.00 H new ATOM 0 HG22 THR A 37 8.676 30.573 -5.053 1.00 0.00 H new ATOM 0 HG23 THR A 37 7.040 29.988 -5.435 1.00 0.00 H new ATOM 578 N VAL A 38 10.040 26.554 -3.288 1.00 0.00 N ATOM 579 CA VAL A 38 10.428 25.417 -2.460 1.00 0.00 C ATOM 580 C VAL A 38 9.562 25.345 -1.201 1.00 0.00 C ATOM 581 O VAL A 38 9.431 24.278 -0.606 1.00 0.00 O ATOM 582 CB VAL A 38 11.913 25.500 -2.101 1.00 0.00 C ATOM 583 CG1 VAL A 38 12.762 25.411 -3.368 1.00 0.00 C ATOM 584 CG2 VAL A 38 12.244 26.802 -1.373 1.00 0.00 C ATOM 0 H VAL A 38 10.683 27.344 -3.239 1.00 0.00 H new ATOM 0 HA VAL A 38 10.267 24.502 -3.030 1.00 0.00 H new ATOM 0 HB VAL A 38 12.137 24.665 -1.437 1.00 0.00 H new ATOM 0 HG11 VAL A 38 13.818 25.471 -3.104 1.00 0.00 H new ATOM 0 HG12 VAL A 38 12.567 24.464 -3.871 1.00 0.00 H new ATOM 0 HG13 VAL A 38 12.508 26.235 -4.035 1.00 0.00 H new ATOM 0 HG21 VAL A 38 13.307 26.825 -1.134 1.00 0.00 H new ATOM 0 HG22 VAL A 38 11.997 27.649 -2.013 1.00 0.00 H new ATOM 0 HG23 VAL A 38 11.664 26.862 -0.452 1.00 0.00 H new ATOM 594 N ALA A 39 8.968 26.472 -0.790 1.00 0.00 N ATOM 595 CA ALA A 39 8.078 26.499 0.358 1.00 0.00 C ATOM 596 C ALA A 39 6.715 25.914 -0.022 1.00 0.00 C ATOM 597 O ALA A 39 5.999 25.399 0.834 1.00 0.00 O ATOM 598 CB ALA A 39 7.944 27.944 0.846 1.00 0.00 C ATOM 0 H ALA A 39 9.094 27.377 -1.243 1.00 0.00 H new ATOM 0 HA ALA A 39 8.487 25.890 1.164 1.00 0.00 H new ATOM 0 HB1 ALA A 39 7.278 27.977 1.708 1.00 0.00 H new ATOM 0 HB2 ALA A 39 8.925 28.324 1.131 1.00 0.00 H new ATOM 0 HB3 ALA A 39 7.534 28.561 0.047 1.00 0.00 H new ATOM 604 N GLY A 40 6.355 25.988 -1.307 1.00 0.00 N ATOM 605 CA GLY A 40 5.126 25.395 -1.806 1.00 0.00 C ATOM 606 C GLY A 40 5.278 23.884 -1.933 1.00 0.00 C ATOM 607 O GLY A 40 4.297 23.151 -1.833 1.00 0.00 O ATOM 0 H GLY A 40 6.909 26.460 -2.022 1.00 0.00 H new ATOM 0 HA2 GLY A 40 4.302 25.628 -1.132 1.00 0.00 H new ATOM 0 HA3 GLY A 40 4.875 25.824 -2.776 1.00 0.00 H new ATOM 611 N ALA A 41 6.510 23.410 -2.148 1.00 0.00 N ATOM 612 CA ALA A 41 6.771 21.985 -2.248 1.00 0.00 C ATOM 613 C ALA A 41 6.577 21.333 -0.882 1.00 0.00 C ATOM 614 O ALA A 41 6.026 20.239 -0.788 1.00 0.00 O ATOM 615 CB ALA A 41 8.194 21.771 -2.766 1.00 0.00 C ATOM 0 H ALA A 41 7.336 23.998 -2.255 1.00 0.00 H new ATOM 0 HA ALA A 41 6.074 21.522 -2.947 1.00 0.00 H new ATOM 0 HB1 ALA A 41 8.396 20.703 -2.843 1.00 0.00 H new ATOM 0 HB2 ALA A 41 8.297 22.232 -3.748 1.00 0.00 H new ATOM 0 HB3 ALA A 41 8.905 22.226 -2.076 1.00 0.00 H new ATOM 621 N LEU A 42 7.024 22.004 0.184 1.00 0.00 N ATOM 622 CA LEU A 42 6.850 21.499 1.534 1.00 0.00 C ATOM 623 C LEU A 42 5.381 21.592 1.945 1.00 0.00 C ATOM 624 O LEU A 42 4.925 20.815 2.779 1.00 0.00 O ATOM 625 CB LEU A 42 7.752 22.311 2.473 1.00 0.00 C ATOM 626 CG LEU A 42 7.693 21.829 3.925 1.00 0.00 C ATOM 627 CD1 LEU A 42 8.115 20.362 4.047 1.00 0.00 C ATOM 628 CD2 LEU A 42 8.638 22.677 4.770 1.00 0.00 C ATOM 0 H LEU A 42 7.509 22.900 0.130 1.00 0.00 H new ATOM 0 HA LEU A 42 7.134 20.448 1.589 1.00 0.00 H new ATOM 0 HB2 LEU A 42 8.781 22.254 2.119 1.00 0.00 H new ATOM 0 HB3 LEU A 42 7.459 23.360 2.432 1.00 0.00 H new ATOM 0 HG LEU A 42 6.664 21.925 4.272 1.00 0.00 H new ATOM 0 HD11 LEU A 42 8.061 20.054 5.091 1.00 0.00 H new ATOM 0 HD12 LEU A 42 7.447 19.741 3.450 1.00 0.00 H new ATOM 0 HD13 LEU A 42 9.137 20.246 3.687 1.00 0.00 H new ATOM 0 HD21 LEU A 42 8.602 22.340 5.806 1.00 0.00 H new ATOM 0 HD22 LEU A 42 9.655 22.576 4.391 1.00 0.00 H new ATOM 0 HD23 LEU A 42 8.334 23.722 4.718 1.00 0.00 H new ATOM 640 N ALA A 43 4.635 22.535 1.360 1.00 0.00 N ATOM 641 CA ALA A 43 3.225 22.710 1.665 1.00 0.00 C ATOM 642 C ALA A 43 2.386 21.569 1.089 1.00 0.00 C ATOM 643 O ALA A 43 1.301 21.291 1.596 1.00 0.00 O ATOM 644 CB ALA A 43 2.763 24.061 1.130 1.00 0.00 C ATOM 0 H ALA A 43 4.996 23.191 0.667 1.00 0.00 H new ATOM 0 HA ALA A 43 3.088 22.688 2.746 1.00 0.00 H new ATOM 0 HB1 ALA A 43 1.706 24.199 1.355 1.00 0.00 H new ATOM 0 HB2 ALA A 43 3.341 24.856 1.601 1.00 0.00 H new ATOM 0 HB3 ALA A 43 2.911 24.095 0.051 1.00 0.00 H new ATOM 650 N ARG A 44 2.875 20.907 0.033 1.00 0.00 N ATOM 651 CA ARG A 44 2.187 19.756 -0.543 1.00 0.00 C ATOM 652 C ARG A 44 2.578 18.464 0.168 1.00 0.00 C ATOM 653 O ARG A 44 1.814 17.501 0.141 1.00 0.00 O ATOM 654 CB ARG A 44 2.507 19.649 -2.035 1.00 0.00 C ATOM 655 CG ARG A 44 1.988 20.823 -2.878 1.00 0.00 C ATOM 656 CD ARG A 44 0.458 20.882 -2.932 1.00 0.00 C ATOM 657 NE ARG A 44 -0.116 21.521 -1.739 1.00 0.00 N ATOM 658 CZ ARG A 44 -1.153 21.044 -1.043 1.00 0.00 C ATOM 659 NH1 ARG A 44 -1.751 19.907 -1.384 1.00 0.00 N ATOM 660 NH2 ARG A 44 -1.604 21.706 0.015 1.00 0.00 N ATOM 0 H ARG A 44 3.746 21.153 -0.437 1.00 0.00 H new ATOM 0 HA ARG A 44 1.115 19.903 -0.412 1.00 0.00 H new ATOM 0 HB2 ARG A 44 3.588 19.578 -2.159 1.00 0.00 H new ATOM 0 HB3 ARG A 44 2.080 18.723 -2.421 1.00 0.00 H new ATOM 0 HG2 ARG A 44 2.369 21.757 -2.466 1.00 0.00 H new ATOM 0 HG3 ARG A 44 2.380 20.738 -3.891 1.00 0.00 H new ATOM 0 HD2 ARG A 44 0.149 21.432 -3.821 1.00 0.00 H new ATOM 0 HD3 ARG A 44 0.060 19.872 -3.028 1.00 0.00 H new ATOM 0 HE ARG A 44 0.308 22.392 -1.419 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -1.420 19.379 -2.192 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -2.541 19.562 -0.838 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -1.159 22.579 0.298 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -2.395 21.341 0.545 1.00 0.00 H new ATOM 674 N VAL A 45 3.752 18.431 0.805 1.00 0.00 N ATOM 675 CA VAL A 45 4.215 17.247 1.527 1.00 0.00 C ATOM 676 C VAL A 45 3.534 17.134 2.891 1.00 0.00 C ATOM 677 O VAL A 45 3.345 16.027 3.394 1.00 0.00 O ATOM 678 CB VAL A 45 5.745 17.311 1.665 1.00 0.00 C ATOM 679 CG1 VAL A 45 6.275 16.220 2.593 1.00 0.00 C ATOM 680 CG2 VAL A 45 6.395 17.113 0.297 1.00 0.00 C ATOM 0 H VAL A 45 4.401 19.217 0.834 1.00 0.00 H new ATOM 0 HA VAL A 45 3.947 16.352 0.965 1.00 0.00 H new ATOM 0 HB VAL A 45 5.990 18.288 2.082 1.00 0.00 H new ATOM 0 HG11 VAL A 45 7.360 16.299 2.665 1.00 0.00 H new ATOM 0 HG12 VAL A 45 5.836 16.340 3.584 1.00 0.00 H new ATOM 0 HG13 VAL A 45 6.008 15.241 2.194 1.00 0.00 H new ATOM 0 HG21 VAL A 45 7.479 17.159 0.399 1.00 0.00 H new ATOM 0 HG22 VAL A 45 6.109 16.141 -0.104 1.00 0.00 H new ATOM 0 HG23 VAL A 45 6.061 17.898 -0.382 1.00 0.00 H new ATOM 690 N GLU A 46 3.160 18.261 3.501 1.00 0.00 N ATOM 691 CA GLU A 46 2.468 18.249 4.787 1.00 0.00 C ATOM 692 C GLU A 46 0.963 18.010 4.627 1.00 0.00 C ATOM 693 O GLU A 46 0.282 17.712 5.606 1.00 0.00 O ATOM 694 CB GLU A 46 2.751 19.543 5.556 1.00 0.00 C ATOM 695 CG GLU A 46 2.143 20.762 4.861 1.00 0.00 C ATOM 696 CD GLU A 46 2.388 22.027 5.684 1.00 0.00 C ATOM 697 OE1 GLU A 46 3.438 22.670 5.461 1.00 0.00 O ATOM 698 OE2 GLU A 46 1.521 22.342 6.532 1.00 0.00 O ATOM 0 H GLU A 46 3.326 19.194 3.123 1.00 0.00 H new ATOM 0 HA GLU A 46 2.857 17.412 5.367 1.00 0.00 H new ATOM 0 HB2 GLU A 46 2.348 19.461 6.565 1.00 0.00 H new ATOM 0 HB3 GLU A 46 3.828 19.680 5.653 1.00 0.00 H new ATOM 0 HG2 GLU A 46 2.579 20.877 3.869 1.00 0.00 H new ATOM 0 HG3 GLU A 46 1.072 20.613 4.723 1.00 0.00 H new ATOM 705 N ASP A 47 0.444 18.142 3.400 1.00 0.00 N ATOM 706 CA ASP A 47 -0.987 18.051 3.125 1.00 0.00 C ATOM 707 C ASP A 47 -1.360 16.747 2.418 1.00 0.00 C ATOM 708 O ASP A 47 -2.540 16.411 2.330 1.00 0.00 O ATOM 709 CB ASP A 47 -1.394 19.276 2.303 1.00 0.00 C ATOM 710 CG ASP A 47 -2.903 19.341 2.078 1.00 0.00 C ATOM 711 OD1 ASP A 47 -3.644 19.276 3.086 1.00 0.00 O ATOM 712 OD2 ASP A 47 -3.301 19.457 0.897 1.00 0.00 O ATOM 0 H ASP A 47 1.011 18.315 2.570 1.00 0.00 H new ATOM 0 HA ASP A 47 -1.534 18.039 4.068 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -1.065 20.181 2.814 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -0.885 19.251 1.340 1.00 0.00 H new ATOM 717 N GLY A 48 -0.373 16.000 1.912 1.00 0.00 N ATOM 718 CA GLY A 48 -0.624 14.743 1.225 1.00 0.00 C ATOM 719 C GLY A 48 0.660 13.945 1.034 1.00 0.00 C ATOM 720 O GLY A 48 1.762 14.475 1.170 1.00 0.00 O ATOM 0 H GLY A 48 0.613 16.253 1.970 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -1.340 14.152 1.796 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -1.078 14.942 0.254 1.00 0.00 H new ATOM 724 N GLY A 49 0.515 12.656 0.717 1.00 0.00 N ATOM 725 CA GLY A 49 1.651 11.768 0.526 1.00 0.00 C ATOM 726 C GLY A 49 2.316 12.006 -0.826 1.00 0.00 C ATOM 727 O GLY A 49 1.636 12.222 -1.828 1.00 0.00 O ATOM 0 H GLY A 49 -0.391 12.206 0.587 1.00 0.00 H new ATOM 0 HA2 GLY A 49 2.377 11.925 1.324 1.00 0.00 H new ATOM 0 HA3 GLY A 49 1.321 10.731 0.595 1.00 0.00 H new ATOM 731 N ILE A 50 3.651 11.958 -0.840 1.00 0.00 N ATOM 732 CA ILE A 50 4.466 12.122 -2.037 1.00 0.00 C ATOM 733 C ILE A 50 5.674 11.199 -1.891 1.00 0.00 C ATOM 734 O ILE A 50 6.182 11.027 -0.785 1.00 0.00 O ATOM 735 CB ILE A 50 4.900 13.589 -2.183 1.00 0.00 C ATOM 736 CG1 ILE A 50 3.660 14.490 -2.290 1.00 0.00 C ATOM 737 CG2 ILE A 50 5.794 13.752 -3.417 1.00 0.00 C ATOM 738 CD1 ILE A 50 4.010 15.952 -2.559 1.00 0.00 C ATOM 0 H ILE A 50 4.204 11.800 0.003 1.00 0.00 H new ATOM 0 HA ILE A 50 3.905 11.862 -2.935 1.00 0.00 H new ATOM 0 HB ILE A 50 5.471 13.884 -1.303 1.00 0.00 H new ATOM 0 HG12 ILE A 50 3.018 14.122 -3.090 1.00 0.00 H new ATOM 0 HG13 ILE A 50 3.087 14.423 -1.365 1.00 0.00 H new ATOM 0 HG21 ILE A 50 6.096 14.795 -3.512 1.00 0.00 H new ATOM 0 HG22 ILE A 50 6.680 13.126 -3.310 1.00 0.00 H new ATOM 0 HG23 ILE A 50 5.243 13.452 -4.308 1.00 0.00 H new ATOM 0 HD11 ILE A 50 3.094 16.539 -2.624 1.00 0.00 H new ATOM 0 HD12 ILE A 50 4.628 16.334 -1.747 1.00 0.00 H new ATOM 0 HD13 ILE A 50 4.558 16.028 -3.498 1.00 0.00 H new ATOM 750 N ASP A 51 6.145 10.598 -2.990 1.00 0.00 N ATOM 751 CA ASP A 51 7.233 9.633 -2.899 1.00 0.00 C ATOM 752 C ASP A 51 8.582 10.283 -3.196 1.00 0.00 C ATOM 753 O ASP A 51 9.596 9.876 -2.630 1.00 0.00 O ATOM 754 CB ASP A 51 6.981 8.464 -3.853 1.00 0.00 C ATOM 755 CG ASP A 51 5.658 7.754 -3.568 1.00 0.00 C ATOM 756 OD1 ASP A 51 5.354 7.540 -2.372 1.00 0.00 O ATOM 757 OD2 ASP A 51 4.965 7.430 -4.557 1.00 0.00 O ATOM 0 H ASP A 51 5.794 10.762 -3.934 1.00 0.00 H new ATOM 0 HA ASP A 51 7.265 9.257 -1.876 1.00 0.00 H new ATOM 0 HB2 ASP A 51 6.980 8.830 -4.880 1.00 0.00 H new ATOM 0 HB3 ASP A 51 7.799 7.749 -3.771 1.00 0.00 H new ATOM 762 N ALA A 52 8.601 11.290 -4.075 1.00 0.00 N ATOM 763 CA ALA A 52 9.816 12.020 -4.404 1.00 0.00 C ATOM 764 C ALA A 52 9.471 13.360 -5.050 1.00 0.00 C ATOM 765 O ALA A 52 8.301 13.659 -5.283 1.00 0.00 O ATOM 766 CB ALA A 52 10.663 11.178 -5.355 1.00 0.00 C ATOM 0 H ALA A 52 7.774 11.617 -4.574 1.00 0.00 H new ATOM 0 HA ALA A 52 10.379 12.216 -3.492 1.00 0.00 H new ATOM 0 HB1 ALA A 52 11.575 11.719 -5.606 1.00 0.00 H new ATOM 0 HB2 ALA A 52 10.921 10.235 -4.874 1.00 0.00 H new ATOM 0 HB3 ALA A 52 10.098 10.978 -6.265 1.00 0.00 H new ATOM 772 N ALA A 53 10.491 14.168 -5.340 1.00 0.00 N ATOM 773 CA ALA A 53 10.292 15.456 -5.984 1.00 0.00 C ATOM 774 C ALA A 53 11.475 15.815 -6.882 1.00 0.00 C ATOM 775 O ALA A 53 12.576 15.301 -6.703 1.00 0.00 O ATOM 776 CB ALA A 53 10.100 16.525 -4.909 1.00 0.00 C ATOM 0 H ALA A 53 11.466 13.947 -5.136 1.00 0.00 H new ATOM 0 HA ALA A 53 9.405 15.401 -6.615 1.00 0.00 H new ATOM 0 HB1 ALA A 53 9.950 17.495 -5.383 1.00 0.00 H new ATOM 0 HB2 ALA A 53 9.228 16.279 -4.303 1.00 0.00 H new ATOM 0 HB3 ALA A 53 10.985 16.565 -4.273 1.00 0.00 H new ATOM 782 N ILE A 54 11.242 16.701 -7.854 1.00 0.00 N ATOM 783 CA ILE A 54 12.292 17.221 -8.720 1.00 0.00 C ATOM 784 C ILE A 54 12.450 18.704 -8.418 1.00 0.00 C ATOM 785 O ILE A 54 11.485 19.461 -8.505 1.00 0.00 O ATOM 786 CB ILE A 54 11.952 16.962 -10.192 1.00 0.00 C ATOM 787 CG1 ILE A 54 11.822 15.450 -10.428 1.00 0.00 C ATOM 788 CG2 ILE A 54 13.055 17.552 -11.074 1.00 0.00 C ATOM 789 CD1 ILE A 54 11.451 15.127 -11.875 1.00 0.00 C ATOM 0 H ILE A 54 10.316 17.076 -8.059 1.00 0.00 H new ATOM 0 HA ILE A 54 13.239 16.715 -8.531 1.00 0.00 H new ATOM 0 HB ILE A 54 11.005 17.437 -10.446 1.00 0.00 H new ATOM 0 HG12 ILE A 54 12.764 14.962 -10.177 1.00 0.00 H new ATOM 0 HG13 ILE A 54 11.064 15.042 -9.760 1.00 0.00 H new ATOM 0 HG21 ILE A 54 12.818 17.371 -12.122 1.00 0.00 H new ATOM 0 HG22 ILE A 54 13.126 18.625 -10.898 1.00 0.00 H new ATOM 0 HG23 ILE A 54 14.007 17.081 -10.830 1.00 0.00 H new ATOM 0 HD11 ILE A 54 11.370 14.047 -11.997 1.00 0.00 H new ATOM 0 HD12 ILE A 54 10.496 15.593 -12.118 1.00 0.00 H new ATOM 0 HD13 ILE A 54 12.222 15.511 -12.543 1.00 0.00 H new ATOM 801 N LEU A 55 13.671 19.112 -8.058 1.00 0.00 N ATOM 802 CA LEU A 55 13.966 20.464 -7.619 1.00 0.00 C ATOM 803 C LEU A 55 14.898 21.149 -8.612 1.00 0.00 C ATOM 804 O LEU A 55 15.924 20.586 -8.995 1.00 0.00 O ATOM 805 CB LEU A 55 14.648 20.418 -6.245 1.00 0.00 C ATOM 806 CG LEU A 55 13.732 20.205 -5.031 1.00 0.00 C ATOM 807 CD1 LEU A 55 12.852 21.434 -4.805 1.00 0.00 C ATOM 808 CD2 LEU A 55 12.840 18.974 -5.156 1.00 0.00 C ATOM 0 H LEU A 55 14.486 18.499 -8.066 1.00 0.00 H new ATOM 0 HA LEU A 55 13.033 21.024 -7.555 1.00 0.00 H new ATOM 0 HB2 LEU A 55 15.388 19.618 -6.258 1.00 0.00 H new ATOM 0 HB3 LEU A 55 15.191 21.352 -6.103 1.00 0.00 H new ATOM 0 HG LEU A 55 14.394 20.046 -4.180 1.00 0.00 H new ATOM 0 HD11 LEU A 55 12.209 21.267 -3.941 1.00 0.00 H new ATOM 0 HD12 LEU A 55 13.482 22.305 -4.625 1.00 0.00 H new ATOM 0 HD13 LEU A 55 12.236 21.608 -5.688 1.00 0.00 H new ATOM 0 HD21 LEU A 55 12.219 18.883 -4.265 1.00 0.00 H new ATOM 0 HD22 LEU A 55 12.202 19.075 -6.034 1.00 0.00 H new ATOM 0 HD23 LEU A 55 13.461 18.084 -5.258 1.00 0.00 H new ATOM 820 N ASP A 56 14.549 22.368 -9.028 1.00 0.00 N ATOM 821 CA ASP A 56 15.455 23.187 -9.814 1.00 0.00 C ATOM 822 C ASP A 56 16.386 23.935 -8.856 1.00 0.00 C ATOM 823 O ASP A 56 15.982 24.275 -7.744 1.00 0.00 O ATOM 824 CB ASP A 56 14.662 24.129 -10.717 1.00 0.00 C ATOM 825 CG ASP A 56 15.550 24.763 -11.784 1.00 0.00 C ATOM 826 OD1 ASP A 56 15.479 24.301 -12.943 1.00 0.00 O ATOM 827 OD2 ASP A 56 16.292 25.705 -11.436 1.00 0.00 O ATOM 0 H ASP A 56 13.648 22.803 -8.831 1.00 0.00 H new ATOM 0 HA ASP A 56 16.066 22.568 -10.471 1.00 0.00 H new ATOM 0 HB2 ASP A 56 13.852 23.579 -11.196 1.00 0.00 H new ATOM 0 HB3 ASP A 56 14.202 24.911 -10.113 1.00 0.00 H new ATOM 832 N VAL A 57 17.630 24.193 -9.267 1.00 0.00 N ATOM 833 CA VAL A 57 18.619 24.827 -8.399 1.00 0.00 C ATOM 834 C VAL A 57 18.497 26.354 -8.411 1.00 0.00 C ATOM 835 O VAL A 57 19.103 27.027 -7.575 1.00 0.00 O ATOM 836 CB VAL A 57 20.019 24.332 -8.785 1.00 0.00 C ATOM 837 CG1 VAL A 57 20.370 24.727 -10.216 1.00 0.00 C ATOM 838 CG2 VAL A 57 21.097 24.869 -7.844 1.00 0.00 C ATOM 0 H VAL A 57 17.975 23.970 -10.201 1.00 0.00 H new ATOM 0 HA VAL A 57 18.430 24.536 -7.366 1.00 0.00 H new ATOM 0 HB VAL A 57 19.992 23.245 -8.703 1.00 0.00 H new ATOM 0 HG11 VAL A 57 21.368 24.362 -10.460 1.00 0.00 H new ATOM 0 HG12 VAL A 57 19.646 24.289 -10.902 1.00 0.00 H new ATOM 0 HG13 VAL A 57 20.348 25.813 -10.310 1.00 0.00 H new ATOM 0 HG21 VAL A 57 22.072 24.493 -8.155 1.00 0.00 H new ATOM 0 HG22 VAL A 57 21.100 25.958 -7.879 1.00 0.00 H new ATOM 0 HG23 VAL A 57 20.889 24.539 -6.826 1.00 0.00 H new ATOM 848 N ASN A 58 17.724 26.915 -9.344 1.00 0.00 N ATOM 849 CA ASN A 58 17.528 28.355 -9.439 1.00 0.00 C ATOM 850 C ASN A 58 16.142 28.734 -8.915 1.00 0.00 C ATOM 851 O ASN A 58 15.168 28.016 -9.145 1.00 0.00 O ATOM 852 CB ASN A 58 17.734 28.797 -10.890 1.00 0.00 C ATOM 853 CG ASN A 58 17.767 30.312 -11.050 1.00 0.00 C ATOM 854 OD1 ASN A 58 17.830 31.054 -10.073 1.00 0.00 O ATOM 855 ND2 ASN A 58 17.726 30.782 -12.292 1.00 0.00 N ATOM 0 H ASN A 58 17.219 26.381 -10.051 1.00 0.00 H new ATOM 0 HA ASN A 58 18.259 28.874 -8.819 1.00 0.00 H new ATOM 0 HB2 ASN A 58 18.668 28.377 -11.263 1.00 0.00 H new ATOM 0 HB3 ASN A 58 16.933 28.389 -11.506 1.00 0.00 H new ATOM 0 HD21 ASN A 58 17.747 31.788 -12.457 1.00 0.00 H new ATOM 0 HD22 ASN A 58 17.674 30.137 -13.080 1.00 0.00 H new ATOM 967 N THR A 66 18.762 25.963 -3.069 1.00 0.00 N ATOM 968 CA THR A 66 17.681 25.060 -2.700 1.00 0.00 C ATOM 969 C THR A 66 18.072 24.256 -1.459 1.00 0.00 C ATOM 970 O THR A 66 18.457 23.089 -1.566 1.00 0.00 O ATOM 971 CB THR A 66 17.352 24.146 -3.888 1.00 0.00 C ATOM 972 OG1 THR A 66 17.052 24.940 -5.015 1.00 0.00 O ATOM 973 CG2 THR A 66 16.142 23.260 -3.591 1.00 0.00 C ATOM 0 HA THR A 66 16.787 25.632 -2.453 1.00 0.00 H new ATOM 0 HB THR A 66 18.218 23.511 -4.074 1.00 0.00 H new ATOM 0 HG1 THR A 66 16.718 24.369 -5.738 1.00 0.00 H new ATOM 0 HG21 THR A 66 15.936 22.625 -4.453 1.00 0.00 H new ATOM 0 HG22 THR A 66 16.352 22.636 -2.722 1.00 0.00 H new ATOM 0 HG23 THR A 66 15.274 23.886 -3.386 1.00 0.00 H new ATOM 981 N PRO A 67 17.980 24.867 -0.270 1.00 0.00 N ATOM 982 CA PRO A 67 18.325 24.230 0.989 1.00 0.00 C ATOM 983 C PRO A 67 17.193 23.336 1.501 1.00 0.00 C ATOM 984 O PRO A 67 17.394 22.558 2.432 1.00 0.00 O ATOM 985 CB PRO A 67 18.563 25.403 1.941 1.00 0.00 C ATOM 986 CG PRO A 67 17.547 26.438 1.454 1.00 0.00 C ATOM 987 CD PRO A 67 17.551 26.238 -0.058 1.00 0.00 C ATOM 0 HA PRO A 67 19.191 23.575 0.894 1.00 0.00 H new ATOM 0 HB2 PRO A 67 18.391 25.123 2.980 1.00 0.00 H new ATOM 0 HB3 PRO A 67 19.585 25.777 1.877 1.00 0.00 H new ATOM 0 HG2 PRO A 67 16.559 26.266 1.881 1.00 0.00 H new ATOM 0 HG3 PRO A 67 17.840 27.451 1.728 1.00 0.00 H new ATOM 0 HD2 PRO A 67 16.560 26.408 -0.478 1.00 0.00 H new ATOM 0 HD3 PRO A 67 18.228 26.940 -0.544 1.00 0.00 H new ATOM 995 N VAL A 68 16.000 23.440 0.905 1.00 0.00 N ATOM 996 CA VAL A 68 14.831 22.691 1.354 1.00 0.00 C ATOM 997 C VAL A 68 14.888 21.242 0.869 1.00 0.00 C ATOM 998 O VAL A 68 14.186 20.383 1.402 1.00 0.00 O ATOM 999 CB VAL A 68 13.562 23.401 0.867 1.00 0.00 C ATOM 1000 CG1 VAL A 68 12.296 22.709 1.382 1.00 0.00 C ATOM 1001 CG2 VAL A 68 13.533 24.841 1.382 1.00 0.00 C ATOM 0 H VAL A 68 15.823 24.044 0.102 1.00 0.00 H new ATOM 0 HA VAL A 68 14.818 22.658 2.443 1.00 0.00 H new ATOM 0 HB VAL A 68 13.582 23.372 -0.222 1.00 0.00 H new ATOM 0 HG11 VAL A 68 11.417 23.240 1.017 1.00 0.00 H new ATOM 0 HG12 VAL A 68 12.273 21.680 1.024 1.00 0.00 H new ATOM 0 HG13 VAL A 68 12.296 22.714 2.472 1.00 0.00 H new ATOM 0 HG21 VAL A 68 12.628 25.335 1.030 1.00 0.00 H new ATOM 0 HG22 VAL A 68 13.544 24.838 2.472 1.00 0.00 H new ATOM 0 HG23 VAL A 68 14.407 25.378 1.012 1.00 0.00 H new ATOM 1011 N ALA A 69 15.718 20.950 -0.135 1.00 0.00 N ATOM 1012 CA ALA A 69 15.837 19.593 -0.641 1.00 0.00 C ATOM 1013 C ALA A 69 16.368 18.667 0.454 1.00 0.00 C ATOM 1014 O ALA A 69 16.011 17.495 0.512 1.00 0.00 O ATOM 1015 CB ALA A 69 16.778 19.598 -1.844 1.00 0.00 C ATOM 0 H ALA A 69 16.311 21.633 -0.606 1.00 0.00 H new ATOM 0 HA ALA A 69 14.858 19.225 -0.948 1.00 0.00 H new ATOM 0 HB1 ALA A 69 16.876 18.585 -2.233 1.00 0.00 H new ATOM 0 HB2 ALA A 69 16.373 20.247 -2.620 1.00 0.00 H new ATOM 0 HB3 ALA A 69 17.758 19.965 -1.538 1.00 0.00 H new ATOM 1021 N GLU A 70 17.225 19.194 1.333 1.00 0.00 N ATOM 1022 CA GLU A 70 17.823 18.410 2.403 1.00 0.00 C ATOM 1023 C GLU A 70 16.810 18.129 3.510 1.00 0.00 C ATOM 1024 O GLU A 70 17.016 17.224 4.315 1.00 0.00 O ATOM 1025 CB GLU A 70 19.040 19.158 2.951 1.00 0.00 C ATOM 1026 CG GLU A 70 20.083 19.366 1.850 1.00 0.00 C ATOM 1027 CD GLU A 70 21.284 20.141 2.384 1.00 0.00 C ATOM 1028 OE1 GLU A 70 21.511 21.275 1.906 1.00 0.00 O ATOM 1029 OE2 GLU A 70 21.975 19.593 3.273 1.00 0.00 O ATOM 0 H GLU A 70 17.519 20.171 1.319 1.00 0.00 H new ATOM 0 HA GLU A 70 18.142 17.446 2.006 1.00 0.00 H new ATOM 0 HB2 GLU A 70 18.730 20.123 3.353 1.00 0.00 H new ATOM 0 HB3 GLU A 70 19.479 18.595 3.775 1.00 0.00 H new ATOM 0 HG2 GLU A 70 20.409 18.400 1.464 1.00 0.00 H new ATOM 0 HG3 GLU A 70 19.636 19.908 1.016 1.00 0.00 H new ATOM 1036 N ALA A 71 15.717 18.899 3.558 1.00 0.00 N ATOM 1037 CA ALA A 71 14.652 18.662 4.518 1.00 0.00 C ATOM 1038 C ALA A 71 13.754 17.533 4.012 1.00 0.00 C ATOM 1039 O ALA A 71 13.156 16.806 4.808 1.00 0.00 O ATOM 1040 CB ALA A 71 13.863 19.954 4.732 1.00 0.00 C ATOM 0 H ALA A 71 15.554 19.692 2.938 1.00 0.00 H new ATOM 0 HA ALA A 71 15.070 18.358 5.478 1.00 0.00 H new ATOM 0 HB1 ALA A 71 13.064 19.777 5.452 1.00 0.00 H new ATOM 0 HB2 ALA A 71 14.529 20.728 5.112 1.00 0.00 H new ATOM 0 HB3 ALA A 71 13.433 20.279 3.785 1.00 0.00 H new ATOM 1046 N LEU A 72 13.651 17.379 2.688 1.00 0.00 N ATOM 1047 CA LEU A 72 12.897 16.283 2.103 1.00 0.00 C ATOM 1048 C LEU A 72 13.676 14.981 2.294 1.00 0.00 C ATOM 1049 O LEU A 72 13.079 13.938 2.547 1.00 0.00 O ATOM 1050 CB LEU A 72 12.638 16.562 0.620 1.00 0.00 C ATOM 1051 CG LEU A 72 11.790 17.820 0.395 1.00 0.00 C ATOM 1052 CD1 LEU A 72 11.635 18.056 -1.107 1.00 0.00 C ATOM 1053 CD2 LEU A 72 10.404 17.673 1.019 1.00 0.00 C ATOM 0 H LEU A 72 14.083 18.004 2.007 1.00 0.00 H new ATOM 0 HA LEU A 72 11.931 16.187 2.599 1.00 0.00 H new ATOM 0 HB2 LEU A 72 13.591 16.674 0.103 1.00 0.00 H new ATOM 0 HB3 LEU A 72 12.133 15.704 0.176 1.00 0.00 H new ATOM 0 HG LEU A 72 12.294 18.663 0.868 1.00 0.00 H new ATOM 0 HD11 LEU A 72 11.033 18.949 -1.275 1.00 0.00 H new ATOM 0 HD12 LEU A 72 12.618 18.191 -1.557 1.00 0.00 H new ATOM 0 HD13 LEU A 72 11.143 17.196 -1.562 1.00 0.00 H new ATOM 0 HD21 LEU A 72 9.827 18.581 0.842 1.00 0.00 H new ATOM 0 HD22 LEU A 72 9.890 16.824 0.569 1.00 0.00 H new ATOM 0 HD23 LEU A 72 10.504 17.509 2.092 1.00 0.00 H new ATOM 1065 N ALA A 73 15.006 15.039 2.182 1.00 0.00 N ATOM 1066 CA ALA A 73 15.847 13.871 2.394 1.00 0.00 C ATOM 1067 C ALA A 73 15.878 13.495 3.877 1.00 0.00 C ATOM 1068 O ALA A 73 16.164 12.346 4.215 1.00 0.00 O ATOM 1069 CB ALA A 73 17.253 14.159 1.868 1.00 0.00 C ATOM 0 H ALA A 73 15.519 15.888 1.945 1.00 0.00 H new ATOM 0 HA ALA A 73 15.435 13.022 1.848 1.00 0.00 H new ATOM 0 HB1 ALA A 73 17.886 13.286 2.025 1.00 0.00 H new ATOM 0 HB2 ALA A 73 17.204 14.385 0.803 1.00 0.00 H new ATOM 0 HB3 ALA A 73 17.673 15.012 2.401 1.00 0.00 H new ATOM 1075 N ALA A 74 15.579 14.454 4.761 1.00 0.00 N ATOM 1076 CA ALA A 74 15.457 14.190 6.187 1.00 0.00 C ATOM 1077 C ALA A 74 14.057 13.673 6.524 1.00 0.00 C ATOM 1078 O ALA A 74 13.832 13.174 7.627 1.00 0.00 O ATOM 1079 CB ALA A 74 15.783 15.470 6.958 1.00 0.00 C ATOM 0 H ALA A 74 15.417 15.427 4.503 1.00 0.00 H new ATOM 0 HA ALA A 74 16.163 13.413 6.479 1.00 0.00 H new ATOM 0 HB1 ALA A 74 15.694 15.283 8.028 1.00 0.00 H new ATOM 0 HB2 ALA A 74 16.801 15.784 6.728 1.00 0.00 H new ATOM 0 HB3 ALA A 74 15.086 16.257 6.668 1.00 0.00 H new ATOM 1085 N ARG A 75 13.118 13.787 5.577 1.00 0.00 N ATOM 1086 CA ARG A 75 11.756 13.282 5.714 1.00 0.00 C ATOM 1087 C ARG A 75 11.571 11.990 4.908 1.00 0.00 C ATOM 1088 O ARG A 75 10.447 11.587 4.625 1.00 0.00 O ATOM 1089 CB ARG A 75 10.764 14.382 5.321 1.00 0.00 C ATOM 1090 CG ARG A 75 9.384 14.139 5.931 1.00 0.00 C ATOM 1091 CD ARG A 75 8.441 15.276 5.538 1.00 0.00 C ATOM 1092 NE ARG A 75 7.131 15.138 6.184 1.00 0.00 N ATOM 1093 CZ ARG A 75 6.164 14.313 5.770 1.00 0.00 C ATOM 1094 NH1 ARG A 75 6.338 13.528 4.710 1.00 0.00 N ATOM 1095 NH2 ARG A 75 5.004 14.270 6.420 1.00 0.00 N ATOM 0 H ARG A 75 13.291 14.241 4.680 1.00 0.00 H new ATOM 0 HA ARG A 75 11.560 13.019 6.753 1.00 0.00 H new ATOM 0 HB2 ARG A 75 11.143 15.349 5.651 1.00 0.00 H new ATOM 0 HB3 ARG A 75 10.680 14.426 4.235 1.00 0.00 H new ATOM 0 HG2 ARG A 75 8.985 13.186 5.584 1.00 0.00 H new ATOM 0 HG3 ARG A 75 9.461 14.076 7.016 1.00 0.00 H new ATOM 0 HD2 ARG A 75 8.886 16.231 5.816 1.00 0.00 H new ATOM 0 HD3 ARG A 75 8.314 15.287 4.455 1.00 0.00 H new ATOM 0 HE ARG A 75 6.945 15.712 7.007 1.00 0.00 H new ATOM 0 HH11 ARG A 75 7.220 13.549 4.199 1.00 0.00 H new ATOM 0 HH12 ARG A 75 5.589 12.905 4.409 1.00 0.00 H new ATOM 0 HH21 ARG A 75 4.853 14.866 7.234 1.00 0.00 H new ATOM 0 HH22 ARG A 75 4.266 13.641 6.105 1.00 0.00 H new ATOM 1109 N ASP A 76 12.684 11.342 4.542 1.00 0.00 N ATOM 1110 CA ASP A 76 12.694 10.105 3.770 1.00 0.00 C ATOM 1111 C ASP A 76 12.009 10.238 2.403 1.00 0.00 C ATOM 1112 O ASP A 76 11.388 9.294 1.914 1.00 0.00 O ATOM 1113 CB ASP A 76 12.161 8.946 4.619 1.00 0.00 C ATOM 1114 CG ASP A 76 12.440 7.590 3.974 1.00 0.00 C ATOM 1115 OD1 ASP A 76 11.515 6.747 3.969 1.00 0.00 O ATOM 1116 OD2 ASP A 76 13.579 7.402 3.490 1.00 0.00 O ATOM 0 H ASP A 76 13.618 11.674 4.782 1.00 0.00 H new ATOM 0 HA ASP A 76 13.730 9.874 3.521 1.00 0.00 H new ATOM 0 HB2 ASP A 76 12.620 8.979 5.607 1.00 0.00 H new ATOM 0 HB3 ASP A 76 11.087 9.065 4.762 1.00 0.00 H new ATOM 1121 N ILE A 77 12.127 11.416 1.781 1.00 0.00 N ATOM 1122 CA ILE A 77 11.622 11.680 0.438 1.00 0.00 C ATOM 1123 C ILE A 77 12.793 12.102 -0.452 1.00 0.00 C ATOM 1124 O ILE A 77 13.244 13.247 -0.381 1.00 0.00 O ATOM 1125 CB ILE A 77 10.532 12.765 0.497 1.00 0.00 C ATOM 1126 CG1 ILE A 77 9.338 12.246 1.310 1.00 0.00 C ATOM 1127 CG2 ILE A 77 10.074 13.141 -0.915 1.00 0.00 C ATOM 1128 CD1 ILE A 77 8.237 13.299 1.450 1.00 0.00 C ATOM 0 H ILE A 77 12.584 12.222 2.207 1.00 0.00 H new ATOM 0 HA ILE A 77 11.170 10.783 0.015 1.00 0.00 H new ATOM 0 HB ILE A 77 10.943 13.653 0.977 1.00 0.00 H new ATOM 0 HG12 ILE A 77 8.930 11.357 0.828 1.00 0.00 H new ATOM 0 HG13 ILE A 77 9.678 11.944 2.300 1.00 0.00 H new ATOM 0 HG21 ILE A 77 9.303 13.909 -0.855 1.00 0.00 H new ATOM 0 HG22 ILE A 77 10.923 13.522 -1.483 1.00 0.00 H new ATOM 0 HG23 ILE A 77 9.670 12.260 -1.413 1.00 0.00 H new ATOM 0 HD11 ILE A 77 7.412 12.888 2.032 1.00 0.00 H new ATOM 0 HD12 ILE A 77 8.636 14.178 1.956 1.00 0.00 H new ATOM 0 HD13 ILE A 77 7.877 13.583 0.461 1.00 0.00 H new ATOM 1140 N PRO A 78 13.301 11.193 -1.299 1.00 0.00 N ATOM 1141 CA PRO A 78 14.385 11.467 -2.229 1.00 0.00 C ATOM 1142 C PRO A 78 14.059 12.601 -3.198 1.00 0.00 C ATOM 1143 O PRO A 78 12.893 12.925 -3.421 1.00 0.00 O ATOM 1144 CB PRO A 78 14.613 10.155 -2.986 1.00 0.00 C ATOM 1145 CG PRO A 78 14.068 9.088 -2.036 1.00 0.00 C ATOM 1146 CD PRO A 78 12.886 9.808 -1.397 1.00 0.00 C ATOM 0 HA PRO A 78 15.274 11.799 -1.692 1.00 0.00 H new ATOM 0 HB2 PRO A 78 14.087 10.147 -3.941 1.00 0.00 H new ATOM 0 HB3 PRO A 78 15.669 9.996 -3.203 1.00 0.00 H new ATOM 0 HG2 PRO A 78 13.759 8.188 -2.567 1.00 0.00 H new ATOM 0 HG3 PRO A 78 14.809 8.783 -1.297 1.00 0.00 H new ATOM 0 HD2 PRO A 78 11.987 9.707 -2.005 1.00 0.00 H new ATOM 0 HD3 PRO A 78 12.655 9.394 -0.415 1.00 0.00 H new ATOM 1154 N PHE A 79 15.099 13.209 -3.776 1.00 0.00 N ATOM 1155 CA PHE A 79 14.935 14.298 -4.725 1.00 0.00 C ATOM 1156 C PHE A 79 15.990 14.241 -5.826 1.00 0.00 C ATOM 1157 O PHE A 79 16.976 13.510 -5.723 1.00 0.00 O ATOM 1158 CB PHE A 79 14.984 15.640 -3.989 1.00 0.00 C ATOM 1159 CG PHE A 79 16.317 15.959 -3.348 1.00 0.00 C ATOM 1160 CD1 PHE A 79 17.371 16.454 -4.130 1.00 0.00 C ATOM 1161 CD2 PHE A 79 16.497 15.771 -1.972 1.00 0.00 C ATOM 1162 CE1 PHE A 79 18.605 16.761 -3.538 1.00 0.00 C ATOM 1163 CE2 PHE A 79 17.729 16.089 -1.380 1.00 0.00 C ATOM 1164 CZ PHE A 79 18.778 16.586 -2.161 1.00 0.00 C ATOM 0 H PHE A 79 16.071 12.957 -3.596 1.00 0.00 H new ATOM 0 HA PHE A 79 13.962 14.193 -5.204 1.00 0.00 H new ATOM 0 HB2 PHE A 79 14.735 16.434 -4.692 1.00 0.00 H new ATOM 0 HB3 PHE A 79 14.214 15.644 -3.217 1.00 0.00 H new ATOM 0 HD1 PHE A 79 17.232 16.599 -5.191 1.00 0.00 H new ATOM 0 HD2 PHE A 79 15.690 15.382 -1.368 1.00 0.00 H new ATOM 0 HE1 PHE A 79 19.419 17.131 -4.143 1.00 0.00 H new ATOM 0 HE2 PHE A 79 17.868 15.950 -0.318 1.00 0.00 H new ATOM 0 HZ PHE A 79 19.723 16.835 -1.700 1.00 0.00 H new ATOM 1174 N VAL A 80 15.769 15.027 -6.884 1.00 0.00 N ATOM 1175 CA VAL A 80 16.667 15.120 -8.027 1.00 0.00 C ATOM 1176 C VAL A 80 16.865 16.587 -8.398 1.00 0.00 C ATOM 1177 O VAL A 80 15.933 17.380 -8.286 1.00 0.00 O ATOM 1178 CB VAL A 80 16.073 14.330 -9.202 1.00 0.00 C ATOM 1179 CG1 VAL A 80 16.911 14.499 -10.468 1.00 0.00 C ATOM 1180 CG2 VAL A 80 16.017 12.843 -8.842 1.00 0.00 C ATOM 0 H VAL A 80 14.946 15.624 -6.967 1.00 0.00 H new ATOM 0 HA VAL A 80 17.639 14.694 -7.778 1.00 0.00 H new ATOM 0 HB VAL A 80 15.072 14.716 -9.393 1.00 0.00 H new ATOM 0 HG11 VAL A 80 16.463 13.927 -11.280 1.00 0.00 H new ATOM 0 HG12 VAL A 80 16.946 15.553 -10.743 1.00 0.00 H new ATOM 0 HG13 VAL A 80 17.923 14.138 -10.285 1.00 0.00 H new ATOM 0 HG21 VAL A 80 15.595 12.282 -9.676 1.00 0.00 H new ATOM 0 HG22 VAL A 80 17.024 12.481 -8.633 1.00 0.00 H new ATOM 0 HG23 VAL A 80 15.392 12.706 -7.960 1.00 0.00 H new ATOM 1190 N PHE A 81 18.075 16.948 -8.835 1.00 0.00 N ATOM 1191 CA PHE A 81 18.381 18.311 -9.249 1.00 0.00 C ATOM 1192 C PHE A 81 18.129 18.502 -10.742 1.00 0.00 C ATOM 1193 O PHE A 81 18.232 17.560 -11.529 1.00 0.00 O ATOM 1194 CB PHE A 81 19.836 18.662 -8.925 1.00 0.00 C ATOM 1195 CG PHE A 81 20.134 18.901 -7.460 1.00 0.00 C ATOM 1196 CD1 PHE A 81 21.084 18.110 -6.797 1.00 0.00 C ATOM 1197 CD2 PHE A 81 19.473 19.930 -6.771 1.00 0.00 C ATOM 1198 CE1 PHE A 81 21.384 18.354 -5.448 1.00 0.00 C ATOM 1199 CE2 PHE A 81 19.750 20.152 -5.413 1.00 0.00 C ATOM 1200 CZ PHE A 81 20.709 19.370 -4.754 1.00 0.00 C ATOM 0 H PHE A 81 18.863 16.304 -8.910 1.00 0.00 H new ATOM 0 HA PHE A 81 17.721 18.978 -8.695 1.00 0.00 H new ATOM 0 HB2 PHE A 81 20.475 17.854 -9.282 1.00 0.00 H new ATOM 0 HB3 PHE A 81 20.110 19.556 -9.485 1.00 0.00 H new ATOM 0 HD1 PHE A 81 21.585 17.312 -7.325 1.00 0.00 H new ATOM 0 HD2 PHE A 81 18.753 20.550 -7.285 1.00 0.00 H new ATOM 0 HE1 PHE A 81 22.133 17.761 -4.945 1.00 0.00 H new ATOM 0 HE2 PHE A 81 19.224 20.926 -4.875 1.00 0.00 H new ATOM 0 HZ PHE A 81 20.928 19.550 -3.712 1.00 0.00 H new ATOM 1210 N ALA A 82 17.797 19.733 -11.132 1.00 0.00 N ATOM 1211 CA ALA A 82 17.612 20.113 -12.520 1.00 0.00 C ATOM 1212 C ALA A 82 18.176 21.513 -12.737 1.00 0.00 C ATOM 1213 O ALA A 82 18.064 22.368 -11.860 1.00 0.00 O ATOM 1214 CB ALA A 82 16.128 20.050 -12.880 1.00 0.00 C ATOM 0 H ALA A 82 17.648 20.501 -10.477 1.00 0.00 H new ATOM 0 HA ALA A 82 18.145 19.421 -13.172 1.00 0.00 H new ATOM 0 HB1 ALA A 82 15.994 20.336 -13.923 1.00 0.00 H new ATOM 0 HB2 ALA A 82 15.761 19.034 -12.732 1.00 0.00 H new ATOM 0 HB3 ALA A 82 15.569 20.734 -12.242 1.00 0.00 H new ATOM 1220 N THR A 83 18.784 21.743 -13.904 1.00 0.00 N ATOM 1221 CA THR A 83 19.374 23.035 -14.227 1.00 0.00 C ATOM 1222 C THR A 83 19.546 23.196 -15.733 1.00 0.00 C ATOM 1223 O THR A 83 19.591 22.212 -16.467 1.00 0.00 O ATOM 1224 CB THR A 83 20.730 23.173 -13.525 1.00 0.00 C ATOM 1225 OG1 THR A 83 21.245 24.469 -13.737 1.00 0.00 O ATOM 1226 CG2 THR A 83 21.748 22.154 -14.043 1.00 0.00 C ATOM 0 H THR A 83 18.878 21.044 -14.641 1.00 0.00 H new ATOM 0 HA THR A 83 18.702 23.819 -13.877 1.00 0.00 H new ATOM 0 HB THR A 83 20.567 22.990 -12.463 1.00 0.00 H new ATOM 0 HG1 THR A 83 22.111 24.555 -13.286 1.00 0.00 H new ATOM 0 HG21 THR A 83 22.695 22.287 -13.519 1.00 0.00 H new ATOM 0 HG22 THR A 83 21.375 21.145 -13.868 1.00 0.00 H new ATOM 0 HG23 THR A 83 21.901 22.303 -15.112 1.00 0.00 H new ATOM 1234 N GLY A 84 19.645 24.447 -16.191 1.00 0.00 N ATOM 1235 CA GLY A 84 19.963 24.762 -17.574 1.00 0.00 C ATOM 1236 C GLY A 84 21.379 25.327 -17.634 1.00 0.00 C ATOM 1237 O GLY A 84 21.578 26.522 -17.415 1.00 0.00 O ATOM 0 H GLY A 84 19.505 25.270 -15.604 1.00 0.00 H new ATOM 0 HA2 GLY A 84 19.887 23.868 -18.192 1.00 0.00 H new ATOM 0 HA3 GLY A 84 19.250 25.485 -17.970 1.00 0.00 H new ATOM 1241 N GLY A 85 22.361 24.470 -17.930 1.00 0.00 N ATOM 1242 CA GLY A 85 23.761 24.861 -17.961 1.00 0.00 C ATOM 1243 C GLY A 85 24.674 23.638 -17.872 1.00 0.00 C ATOM 1244 O GLY A 85 24.235 22.513 -18.113 1.00 0.00 O ATOM 0 H GLY A 85 22.201 23.488 -18.154 1.00 0.00 H new ATOM 0 HA2 GLY A 85 23.969 25.408 -18.880 1.00 0.00 H new ATOM 0 HA3 GLY A 85 23.972 25.537 -17.133 1.00 0.00 H new ATOM 1248 N SER A 86 25.942 23.863 -17.524 1.00 0.00 N ATOM 1249 CA SER A 86 26.925 22.796 -17.399 1.00 0.00 C ATOM 1250 C SER A 86 26.811 22.088 -16.050 1.00 0.00 C ATOM 1251 O SER A 86 26.181 22.594 -15.118 1.00 0.00 O ATOM 1252 CB SER A 86 28.329 23.366 -17.588 1.00 0.00 C ATOM 1253 OG SER A 86 28.634 24.269 -16.544 1.00 0.00 O ATOM 0 H SER A 86 26.312 24.792 -17.322 1.00 0.00 H new ATOM 0 HA SER A 86 26.729 22.056 -18.175 1.00 0.00 H new ATOM 0 HB2 SER A 86 29.059 22.557 -17.603 1.00 0.00 H new ATOM 0 HB3 SER A 86 28.397 23.874 -18.550 1.00 0.00 H new ATOM 0 HG SER A 86 29.537 24.627 -16.675 1.00 0.00 H new ATOM 1259 N ASP A 87 27.428 20.909 -15.945 1.00 0.00 N ATOM 1260 CA ASP A 87 27.432 20.123 -14.719 1.00 0.00 C ATOM 1261 C ASP A 87 28.456 20.655 -13.712 1.00 0.00 C ATOM 1262 O ASP A 87 28.537 20.158 -12.591 1.00 0.00 O ATOM 1263 CB ASP A 87 27.705 18.657 -15.062 1.00 0.00 C ATOM 1264 CG ASP A 87 29.055 18.477 -15.752 1.00 0.00 C ATOM 1265 OD1 ASP A 87 29.980 17.966 -15.083 1.00 0.00 O ATOM 1266 OD2 ASP A 87 29.152 18.855 -16.940 1.00 0.00 O ATOM 0 H ASP A 87 27.940 20.475 -16.713 1.00 0.00 H new ATOM 0 HA ASP A 87 26.454 20.205 -14.246 1.00 0.00 H new ATOM 0 HB2 ASP A 87 27.680 18.060 -14.150 1.00 0.00 H new ATOM 0 HB3 ASP A 87 26.913 18.282 -15.710 1.00 0.00 H new ATOM 1271 N ASP A 88 29.234 21.665 -14.108 1.00 0.00 N ATOM 1272 CA ASP A 88 30.235 22.285 -13.253 1.00 0.00 C ATOM 1273 C ASP A 88 29.670 23.526 -12.555 1.00 0.00 C ATOM 1274 O ASP A 88 30.366 24.167 -11.770 1.00 0.00 O ATOM 1275 CB ASP A 88 31.465 22.615 -14.098 1.00 0.00 C ATOM 1276 CG ASP A 88 32.631 23.113 -13.246 1.00 0.00 C ATOM 1277 OD1 ASP A 88 33.073 22.340 -12.366 1.00 0.00 O ATOM 1278 OD2 ASP A 88 33.068 24.261 -13.481 1.00 0.00 O ATOM 0 H ASP A 88 29.182 22.075 -15.040 1.00 0.00 H new ATOM 0 HA ASP A 88 30.526 21.593 -12.463 1.00 0.00 H new ATOM 0 HB2 ASP A 88 31.773 21.727 -14.650 1.00 0.00 H new ATOM 0 HB3 ASP A 88 31.205 23.375 -14.835 1.00 0.00 H new ATOM 1283 N SER A 89 28.409 23.864 -12.837 1.00 0.00 N ATOM 1284 CA SER A 89 27.743 25.019 -12.247 1.00 0.00 C ATOM 1285 C SER A 89 27.127 24.689 -10.886 1.00 0.00 C ATOM 1286 O SER A 89 26.407 25.511 -10.321 1.00 0.00 O ATOM 1287 CB SER A 89 26.682 25.554 -13.209 1.00 0.00 C ATOM 1288 OG SER A 89 27.282 25.971 -14.418 1.00 0.00 O ATOM 0 H SER A 89 27.822 23.339 -13.485 1.00 0.00 H new ATOM 0 HA SER A 89 28.494 25.791 -12.078 1.00 0.00 H new ATOM 0 HB2 SER A 89 25.941 24.780 -13.411 1.00 0.00 H new ATOM 0 HB3 SER A 89 26.154 26.390 -12.750 1.00 0.00 H new ATOM 0 HG SER A 89 27.649 25.193 -14.886 1.00 0.00 H new ATOM 1294 N VAL A 90 27.406 23.494 -10.357 1.00 0.00 N ATOM 1295 CA VAL A 90 26.875 23.028 -9.082 1.00 0.00 C ATOM 1296 C VAL A 90 27.955 22.318 -8.266 1.00 0.00 C ATOM 1297 O VAL A 90 28.919 21.788 -8.820 1.00 0.00 O ATOM 1298 CB VAL A 90 25.668 22.108 -9.290 1.00 0.00 C ATOM 1299 CG1 VAL A 90 24.448 22.888 -9.776 1.00 0.00 C ATOM 1300 CG2 VAL A 90 25.975 20.979 -10.275 1.00 0.00 C ATOM 0 H VAL A 90 28.017 22.816 -10.813 1.00 0.00 H new ATOM 0 HA VAL A 90 26.543 23.903 -8.523 1.00 0.00 H new ATOM 0 HB VAL A 90 25.445 21.669 -8.318 1.00 0.00 H new ATOM 0 HG11 VAL A 90 23.610 22.204 -9.913 1.00 0.00 H new ATOM 0 HG12 VAL A 90 24.182 23.645 -9.038 1.00 0.00 H new ATOM 0 HG13 VAL A 90 24.680 23.372 -10.724 1.00 0.00 H new ATOM 0 HG21 VAL A 90 25.093 20.350 -10.394 1.00 0.00 H new ATOM 0 HG22 VAL A 90 26.251 21.403 -11.240 1.00 0.00 H new ATOM 0 HG23 VAL A 90 26.800 20.378 -9.894 1.00 0.00 H new ATOM 1310 N ASP A 91 27.783 22.313 -6.943 1.00 0.00 N ATOM 1311 CA ASP A 91 28.730 21.722 -6.004 1.00 0.00 C ATOM 1312 C ASP A 91 28.688 20.190 -6.037 1.00 0.00 C ATOM 1313 O ASP A 91 27.794 19.592 -6.635 1.00 0.00 O ATOM 1314 CB ASP A 91 28.435 22.268 -4.604 1.00 0.00 C ATOM 1315 CG ASP A 91 29.499 21.848 -3.594 1.00 0.00 C ATOM 1316 OD1 ASP A 91 30.639 22.347 -3.720 1.00 0.00 O ATOM 1317 OD2 ASP A 91 29.159 21.034 -2.708 1.00 0.00 O ATOM 0 H ASP A 91 26.968 22.727 -6.490 1.00 0.00 H new ATOM 0 HA ASP A 91 29.743 21.999 -6.294 1.00 0.00 H new ATOM 0 HB2 ASP A 91 28.380 23.356 -4.643 1.00 0.00 H new ATOM 0 HB3 ASP A 91 27.460 21.911 -4.273 1.00 0.00 H new ATOM 1322 N SER A 92 29.663 19.548 -5.386 1.00 0.00 N ATOM 1323 CA SER A 92 29.802 18.099 -5.391 1.00 0.00 C ATOM 1324 C SER A 92 28.600 17.382 -4.781 1.00 0.00 C ATOM 1325 O SER A 92 28.440 16.183 -5.002 1.00 0.00 O ATOM 1326 CB SER A 92 31.074 17.717 -4.630 1.00 0.00 C ATOM 1327 OG SER A 92 32.193 18.356 -5.214 1.00 0.00 O ATOM 0 H SER A 92 30.379 20.027 -4.840 1.00 0.00 H new ATOM 0 HA SER A 92 29.862 17.780 -6.431 1.00 0.00 H new ATOM 0 HB2 SER A 92 30.983 18.007 -3.583 1.00 0.00 H new ATOM 0 HB3 SER A 92 31.210 16.636 -4.650 1.00 0.00 H new ATOM 0 HG SER A 92 33.004 18.110 -4.722 1.00 0.00 H new ATOM 1333 N ARG A 93 27.749 18.084 -4.026 1.00 0.00 N ATOM 1334 CA ARG A 93 26.550 17.477 -3.459 1.00 0.00 C ATOM 1335 C ARG A 93 25.481 17.305 -4.536 1.00 0.00 C ATOM 1336 O ARG A 93 24.610 16.446 -4.414 1.00 0.00 O ATOM 1337 CB ARG A 93 26.040 18.320 -2.290 1.00 0.00 C ATOM 1338 CG ARG A 93 27.118 18.419 -1.206 1.00 0.00 C ATOM 1339 CD ARG A 93 26.566 19.119 0.035 1.00 0.00 C ATOM 1340 NE ARG A 93 25.580 18.275 0.717 1.00 0.00 N ATOM 1341 CZ ARG A 93 24.613 18.735 1.516 1.00 0.00 C ATOM 1342 NH1 ARG A 93 24.475 20.036 1.745 1.00 0.00 N ATOM 1343 NH2 ARG A 93 23.770 17.888 2.095 1.00 0.00 N ATOM 0 H ARG A 93 27.871 19.070 -3.796 1.00 0.00 H new ATOM 0 HA ARG A 93 26.795 16.486 -3.077 1.00 0.00 H new ATOM 0 HB2 ARG A 93 25.772 19.317 -2.640 1.00 0.00 H new ATOM 0 HB3 ARG A 93 25.136 17.873 -1.876 1.00 0.00 H new ATOM 0 HG2 ARG A 93 27.469 17.422 -0.942 1.00 0.00 H new ATOM 0 HG3 ARG A 93 27.978 18.969 -1.589 1.00 0.00 H new ATOM 0 HD2 ARG A 93 27.382 19.355 0.717 1.00 0.00 H new ATOM 0 HD3 ARG A 93 26.106 20.065 -0.251 1.00 0.00 H new ATOM 0 HE ARG A 93 25.636 17.267 0.571 1.00 0.00 H new ATOM 0 HH11 ARG A 93 25.113 20.701 1.308 1.00 0.00 H new ATOM 0 HH12 ARG A 93 23.731 20.370 2.358 1.00 0.00 H new ATOM 0 HH21 ARG A 93 23.860 16.886 1.930 1.00 0.00 H new ATOM 0 HH22 ARG A 93 23.032 18.240 2.705 1.00 0.00 H new ATOM 1357 N PHE A 94 25.547 18.115 -5.594 1.00 0.00 N ATOM 1358 CA PHE A 94 24.647 17.984 -6.727 1.00 0.00 C ATOM 1359 C PHE A 94 25.189 16.932 -7.685 1.00 0.00 C ATOM 1360 O PHE A 94 24.448 16.385 -8.494 1.00 0.00 O ATOM 1361 CB PHE A 94 24.533 19.320 -7.456 1.00 0.00 C ATOM 1362 CG PHE A 94 24.060 20.491 -6.621 1.00 0.00 C ATOM 1363 CD1 PHE A 94 22.793 21.045 -6.847 1.00 0.00 C ATOM 1364 CD2 PHE A 94 24.894 21.037 -5.635 1.00 0.00 C ATOM 1365 CE1 PHE A 94 22.356 22.137 -6.084 1.00 0.00 C ATOM 1366 CE2 PHE A 94 24.457 22.128 -4.871 1.00 0.00 C ATOM 1367 CZ PHE A 94 23.186 22.677 -5.094 1.00 0.00 C ATOM 0 H PHE A 94 26.223 18.873 -5.684 1.00 0.00 H new ATOM 0 HA PHE A 94 23.662 17.684 -6.369 1.00 0.00 H new ATOM 0 HB2 PHE A 94 25.508 19.568 -7.875 1.00 0.00 H new ATOM 0 HB3 PHE A 94 23.848 19.197 -8.295 1.00 0.00 H new ATOM 0 HD1 PHE A 94 22.152 20.630 -7.611 1.00 0.00 H new ATOM 0 HD2 PHE A 94 25.874 20.617 -5.464 1.00 0.00 H new ATOM 0 HE1 PHE A 94 21.379 22.562 -6.260 1.00 0.00 H new ATOM 0 HE2 PHE A 94 25.100 22.546 -4.110 1.00 0.00 H new ATOM 0 HZ PHE A 94 22.848 23.515 -4.503 1.00 0.00 H new ATOM 1377 N ARG A 95 26.493 16.652 -7.587 1.00 0.00 N ATOM 1378 CA ARG A 95 27.149 15.632 -8.391 1.00 0.00 C ATOM 1379 C ARG A 95 27.042 14.262 -7.723 1.00 0.00 C ATOM 1380 O ARG A 95 27.321 13.243 -8.355 1.00 0.00 O ATOM 1381 CB ARG A 95 28.611 16.032 -8.617 1.00 0.00 C ATOM 1382 CG ARG A 95 28.696 17.409 -9.289 1.00 0.00 C ATOM 1383 CD ARG A 95 30.153 17.825 -9.492 1.00 0.00 C ATOM 1384 NE ARG A 95 30.875 16.883 -10.353 1.00 0.00 N ATOM 1385 CZ ARG A 95 30.869 16.926 -11.688 1.00 0.00 C ATOM 1386 NH1 ARG A 95 30.184 17.859 -12.341 1.00 0.00 N ATOM 1387 NH2 ARG A 95 31.560 16.028 -12.385 1.00 0.00 N ATOM 0 H ARG A 95 27.121 17.133 -6.942 1.00 0.00 H new ATOM 0 HA ARG A 95 26.652 15.557 -9.358 1.00 0.00 H new ATOM 0 HB2 ARG A 95 29.139 16.053 -7.664 1.00 0.00 H new ATOM 0 HB3 ARG A 95 29.106 15.286 -9.239 1.00 0.00 H new ATOM 0 HG2 ARG A 95 28.184 17.382 -10.251 1.00 0.00 H new ATOM 0 HG3 ARG A 95 28.184 18.150 -8.676 1.00 0.00 H new ATOM 0 HD2 ARG A 95 30.188 18.821 -9.934 1.00 0.00 H new ATOM 0 HD3 ARG A 95 30.651 17.888 -8.524 1.00 0.00 H new ATOM 0 HE ARG A 95 31.418 16.146 -9.903 1.00 0.00 H new ATOM 0 HH11 ARG A 95 29.651 18.557 -11.822 1.00 0.00 H new ATOM 0 HH12 ARG A 95 30.191 17.877 -13.361 1.00 0.00 H new ATOM 0 HH21 ARG A 95 32.094 15.307 -11.900 1.00 0.00 H new ATOM 0 HH22 ARG A 95 31.556 16.060 -13.404 1.00 0.00 H new ATOM 1401 N ASP A 96 26.639 14.234 -6.448 1.00 0.00 N ATOM 1402 CA ASP A 96 26.404 12.994 -5.724 1.00 0.00 C ATOM 1403 C ASP A 96 24.940 12.570 -5.856 1.00 0.00 C ATOM 1404 O ASP A 96 24.630 11.381 -5.783 1.00 0.00 O ATOM 1405 CB ASP A 96 26.791 13.202 -4.262 1.00 0.00 C ATOM 1406 CG ASP A 96 26.635 11.915 -3.458 1.00 0.00 C ATOM 1407 OD1 ASP A 96 27.456 10.996 -3.675 1.00 0.00 O ATOM 1408 OD2 ASP A 96 25.696 11.857 -2.633 1.00 0.00 O ATOM 0 H ASP A 96 26.468 15.074 -5.895 1.00 0.00 H new ATOM 0 HA ASP A 96 27.013 12.194 -6.144 1.00 0.00 H new ATOM 0 HB2 ASP A 96 27.823 13.547 -4.203 1.00 0.00 H new ATOM 0 HB3 ASP A 96 26.168 13.983 -3.826 1.00 0.00 H new ATOM 1413 N ARG A 97 24.039 13.538 -6.055 1.00 0.00 N ATOM 1414 CA ARG A 97 22.632 13.270 -6.338 1.00 0.00 C ATOM 1415 C ARG A 97 22.430 13.192 -7.850 1.00 0.00 C ATOM 1416 O ARG A 97 23.270 13.685 -8.602 1.00 0.00 O ATOM 1417 CB ARG A 97 21.762 14.376 -5.728 1.00 0.00 C ATOM 1418 CG ARG A 97 21.838 14.411 -4.198 1.00 0.00 C ATOM 1419 CD ARG A 97 21.247 13.143 -3.589 1.00 0.00 C ATOM 1420 NE ARG A 97 21.257 13.212 -2.124 1.00 0.00 N ATOM 1421 CZ ARG A 97 20.672 12.314 -1.329 1.00 0.00 C ATOM 1422 NH1 ARG A 97 20.021 11.271 -1.840 1.00 0.00 N ATOM 1423 NH2 ARG A 97 20.734 12.454 -0.009 1.00 0.00 N ATOM 0 H ARG A 97 24.270 14.531 -6.023 1.00 0.00 H new ATOM 0 HA ARG A 97 22.338 12.319 -5.894 1.00 0.00 H new ATOM 0 HB2 ARG A 97 22.076 15.341 -6.126 1.00 0.00 H new ATOM 0 HB3 ARG A 97 20.726 14.228 -6.033 1.00 0.00 H new ATOM 0 HG2 ARG A 97 22.877 14.519 -3.885 1.00 0.00 H new ATOM 0 HG3 ARG A 97 21.300 15.282 -3.824 1.00 0.00 H new ATOM 0 HD2 ARG A 97 20.225 13.007 -3.944 1.00 0.00 H new ATOM 0 HD3 ARG A 97 21.818 12.276 -3.920 1.00 0.00 H new ATOM 0 HE ARG A 97 21.741 13.995 -1.685 1.00 0.00 H new ATOM 0 HH11 ARG A 97 19.965 11.151 -2.851 1.00 0.00 H new ATOM 0 HH12 ARG A 97 19.579 10.592 -1.220 1.00 0.00 H new ATOM 0 HH21 ARG A 97 21.229 13.248 0.397 1.00 0.00 H new ATOM 0 HH22 ARG A 97 20.287 11.767 0.598 1.00 0.00 H new ATOM 1437 N PRO A 98 21.331 12.586 -8.322 1.00 0.00 N ATOM 1438 CA PRO A 98 20.998 12.546 -9.736 1.00 0.00 C ATOM 1439 C PRO A 98 20.781 13.952 -10.297 1.00 0.00 C ATOM 1440 O PRO A 98 20.428 14.874 -9.559 1.00 0.00 O ATOM 1441 CB PRO A 98 19.732 11.692 -9.840 1.00 0.00 C ATOM 1442 CG PRO A 98 19.713 10.896 -8.536 1.00 0.00 C ATOM 1443 CD PRO A 98 20.343 11.868 -7.543 1.00 0.00 C ATOM 0 HA PRO A 98 21.809 12.120 -10.326 1.00 0.00 H new ATOM 0 HB2 PRO A 98 18.841 12.311 -9.942 1.00 0.00 H new ATOM 0 HB3 PRO A 98 19.765 11.034 -10.708 1.00 0.00 H new ATOM 0 HG2 PRO A 98 18.700 10.619 -8.245 1.00 0.00 H new ATOM 0 HG3 PRO A 98 20.285 9.972 -8.617 1.00 0.00 H new ATOM 0 HD2 PRO A 98 19.599 12.545 -7.123 1.00 0.00 H new ATOM 0 HD3 PRO A 98 20.802 11.341 -6.707 1.00 0.00 H new ATOM 1451 N VAL A 99 20.991 14.116 -11.608 1.00 0.00 N ATOM 1452 CA VAL A 99 20.860 15.405 -12.283 1.00 0.00 C ATOM 1453 C VAL A 99 20.171 15.236 -13.633 1.00 0.00 C ATOM 1454 O VAL A 99 20.226 14.165 -14.239 1.00 0.00 O ATOM 1455 CB VAL A 99 22.226 16.073 -12.475 1.00 0.00 C ATOM 1456 CG1 VAL A 99 22.852 16.415 -11.125 1.00 0.00 C ATOM 1457 CG2 VAL A 99 23.192 15.181 -13.257 1.00 0.00 C ATOM 0 H VAL A 99 21.258 13.353 -12.230 1.00 0.00 H new ATOM 0 HA VAL A 99 20.249 16.048 -11.650 1.00 0.00 H new ATOM 0 HB VAL A 99 22.054 16.985 -13.047 1.00 0.00 H new ATOM 0 HG11 VAL A 99 23.821 16.888 -11.283 1.00 0.00 H new ATOM 0 HG12 VAL A 99 22.198 17.099 -10.583 1.00 0.00 H new ATOM 0 HG13 VAL A 99 22.984 15.503 -10.544 1.00 0.00 H new ATOM 0 HG21 VAL A 99 24.148 15.692 -13.371 1.00 0.00 H new ATOM 0 HG22 VAL A 99 23.342 14.246 -12.717 1.00 0.00 H new ATOM 0 HG23 VAL A 99 22.775 14.968 -14.241 1.00 0.00 H new ATOM 1467 N LEU A 100 19.523 16.305 -14.106 1.00 0.00 N ATOM 1468 CA LEU A 100 18.857 16.316 -15.397 1.00 0.00 C ATOM 1469 C LEU A 100 18.932 17.715 -16.014 1.00 0.00 C ATOM 1470 O LEU A 100 18.912 18.713 -15.295 1.00 0.00 O ATOM 1471 CB LEU A 100 17.405 15.868 -15.193 1.00 0.00 C ATOM 1472 CG LEU A 100 16.655 15.628 -16.511 1.00 0.00 C ATOM 1473 CD1 LEU A 100 17.300 14.506 -17.324 1.00 0.00 C ATOM 1474 CD2 LEU A 100 15.219 15.225 -16.194 1.00 0.00 C ATOM 0 H LEU A 100 19.450 17.186 -13.597 1.00 0.00 H new ATOM 0 HA LEU A 100 19.348 15.630 -16.088 1.00 0.00 H new ATOM 0 HB2 LEU A 100 17.394 14.951 -14.604 1.00 0.00 H new ATOM 0 HB3 LEU A 100 16.876 16.625 -14.614 1.00 0.00 H new ATOM 0 HG LEU A 100 16.689 16.548 -17.095 1.00 0.00 H new ATOM 0 HD11 LEU A 100 16.744 14.362 -18.251 1.00 0.00 H new ATOM 0 HD12 LEU A 100 18.331 14.772 -17.557 1.00 0.00 H new ATOM 0 HD13 LEU A 100 17.285 13.583 -16.745 1.00 0.00 H new ATOM 0 HD21 LEU A 100 14.676 15.052 -17.123 1.00 0.00 H new ATOM 0 HD22 LEU A 100 15.220 14.312 -15.599 1.00 0.00 H new ATOM 0 HD23 LEU A 100 14.733 16.023 -15.633 1.00 0.00 H new ATOM 1486 N GLN A 101 19.021 17.787 -17.343 1.00 0.00 N ATOM 1487 CA GLN A 101 19.081 19.059 -18.051 1.00 0.00 C ATOM 1488 C GLN A 101 17.683 19.666 -18.186 1.00 0.00 C ATOM 1489 O GLN A 101 16.686 18.970 -18.003 1.00 0.00 O ATOM 1490 CB GLN A 101 19.771 18.879 -19.409 1.00 0.00 C ATOM 1491 CG GLN A 101 18.889 18.172 -20.446 1.00 0.00 C ATOM 1492 CD GLN A 101 18.636 16.701 -20.135 1.00 0.00 C ATOM 1493 OE1 GLN A 101 19.456 16.036 -19.511 1.00 0.00 O ATOM 1494 NE2 GLN A 101 17.489 16.191 -20.574 1.00 0.00 N ATOM 0 H GLN A 101 19.053 16.969 -17.952 1.00 0.00 H new ATOM 0 HA GLN A 101 19.680 19.763 -17.473 1.00 0.00 H new ATOM 0 HB2 GLN A 101 20.061 19.857 -19.794 1.00 0.00 H new ATOM 0 HB3 GLN A 101 20.688 18.306 -19.270 1.00 0.00 H new ATOM 0 HG2 GLN A 101 17.932 18.690 -20.510 1.00 0.00 H new ATOM 0 HG3 GLN A 101 19.361 18.251 -21.425 1.00 0.00 H new ATOM 0 HE21 GLN A 101 16.834 16.779 -21.090 1.00 0.00 H new ATOM 0 HE22 GLN A 101 17.264 15.212 -20.395 1.00 0.00 H new ATOM 1503 N LYS A 102 17.599 20.962 -18.505 1.00 0.00 N ATOM 1504 CA LYS A 102 16.316 21.643 -18.619 1.00 0.00 C ATOM 1505 C LYS A 102 15.575 21.317 -19.922 1.00 0.00 C ATOM 1506 O LYS A 102 14.356 21.166 -19.879 1.00 0.00 O ATOM 1507 CB LYS A 102 16.520 23.147 -18.423 1.00 0.00 C ATOM 1508 CG LYS A 102 15.164 23.862 -18.404 1.00 0.00 C ATOM 1509 CD LYS A 102 15.309 25.329 -17.995 1.00 0.00 C ATOM 1510 CE LYS A 102 15.871 25.471 -16.580 1.00 0.00 C ATOM 1511 NZ LYS A 102 15.023 24.782 -15.590 1.00 0.00 N ATOM 0 H LYS A 102 18.408 21.556 -18.688 1.00 0.00 H new ATOM 0 HA LYS A 102 15.664 21.271 -17.829 1.00 0.00 H new ATOM 0 HB2 LYS A 102 17.051 23.332 -17.489 1.00 0.00 H new ATOM 0 HB3 LYS A 102 17.140 23.546 -19.226 1.00 0.00 H new ATOM 0 HG2 LYS A 102 14.706 23.802 -19.391 1.00 0.00 H new ATOM 0 HG3 LYS A 102 14.494 23.354 -17.710 1.00 0.00 H new ATOM 0 HD2 LYS A 102 15.965 25.840 -18.700 1.00 0.00 H new ATOM 0 HD3 LYS A 102 14.337 25.820 -18.051 1.00 0.00 H new ATOM 0 HE2 LYS A 102 16.880 25.060 -16.545 1.00 0.00 H new ATOM 0 HE3 LYS A 102 15.948 26.527 -16.322 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 15.385 24.969 -14.633 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 14.047 25.132 -15.665 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 15.038 23.758 -15.772 1.00 0.00 H new ATOM 1525 N PRO A 103 16.251 21.199 -21.075 1.00 0.00 N ATOM 1526 CA PRO A 103 15.626 20.726 -22.300 1.00 0.00 C ATOM 1527 C PRO A 103 15.087 19.307 -22.144 1.00 0.00 C ATOM 1528 O PRO A 103 15.779 18.433 -21.624 1.00 0.00 O ATOM 1529 CB PRO A 103 16.721 20.778 -23.369 1.00 0.00 C ATOM 1530 CG PRO A 103 17.719 21.794 -22.816 1.00 0.00 C ATOM 1531 CD PRO A 103 17.639 21.541 -21.314 1.00 0.00 C ATOM 0 HA PRO A 103 14.769 21.344 -22.567 1.00 0.00 H new ATOM 0 HB2 PRO A 103 17.183 19.802 -23.516 1.00 0.00 H new ATOM 0 HB3 PRO A 103 16.324 21.092 -24.334 1.00 0.00 H new ATOM 0 HG2 PRO A 103 18.724 21.629 -23.203 1.00 0.00 H new ATOM 0 HG3 PRO A 103 17.442 22.817 -23.072 1.00 0.00 H new ATOM 0 HD2 PRO A 103 18.304 20.732 -21.012 1.00 0.00 H new ATOM 0 HD3 PRO A 103 17.933 22.424 -20.747 1.00 0.00 H new ATOM 1539 N PHE A 104 13.850 19.071 -22.594 1.00 0.00 N ATOM 1540 CA PHE A 104 13.198 17.771 -22.487 1.00 0.00 C ATOM 1541 C PHE A 104 12.844 17.235 -23.873 1.00 0.00 C ATOM 1542 O PHE A 104 12.518 17.999 -24.781 1.00 0.00 O ATOM 1543 CB PHE A 104 11.941 17.871 -21.609 1.00 0.00 C ATOM 1544 CG PHE A 104 12.154 17.631 -20.126 1.00 0.00 C ATOM 1545 CD1 PHE A 104 13.255 18.184 -19.455 1.00 0.00 C ATOM 1546 CD2 PHE A 104 11.236 16.846 -19.410 1.00 0.00 C ATOM 1547 CE1 PHE A 104 13.449 17.944 -18.089 1.00 0.00 C ATOM 1548 CE2 PHE A 104 11.435 16.596 -18.045 1.00 0.00 C ATOM 1549 CZ PHE A 104 12.537 17.151 -17.383 1.00 0.00 C ATOM 0 H PHE A 104 13.274 19.783 -23.044 1.00 0.00 H new ATOM 0 HA PHE A 104 13.891 17.074 -22.016 1.00 0.00 H new ATOM 0 HB2 PHE A 104 11.507 18.862 -21.739 1.00 0.00 H new ATOM 0 HB3 PHE A 104 11.208 17.152 -21.973 1.00 0.00 H new ATOM 0 HD1 PHE A 104 13.958 18.800 -19.996 1.00 0.00 H new ATOM 0 HD2 PHE A 104 10.374 16.433 -19.913 1.00 0.00 H new ATOM 0 HE1 PHE A 104 14.301 18.370 -17.581 1.00 0.00 H new ATOM 0 HE2 PHE A 104 10.737 15.974 -17.503 1.00 0.00 H new ATOM 0 HZ PHE A 104 12.683 16.967 -16.329 1.00 0.00 H new ATOM 1559 N THR A 105 12.915 15.909 -24.024 1.00 0.00 N ATOM 1560 CA THR A 105 12.566 15.214 -25.256 1.00 0.00 C ATOM 1561 C THR A 105 12.124 13.793 -24.922 1.00 0.00 C ATOM 1562 O THR A 105 12.451 13.275 -23.855 1.00 0.00 O ATOM 1563 CB THR A 105 13.751 15.226 -26.229 1.00 0.00 C ATOM 1564 OG1 THR A 105 13.388 14.562 -27.419 1.00 0.00 O ATOM 1565 CG2 THR A 105 14.981 14.539 -25.641 1.00 0.00 C ATOM 0 H THR A 105 13.222 15.283 -23.279 1.00 0.00 H new ATOM 0 HA THR A 105 11.739 15.725 -25.748 1.00 0.00 H new ATOM 0 HB THR A 105 14.003 16.268 -26.426 1.00 0.00 H new ATOM 0 HG1 THR A 105 14.144 14.571 -28.042 1.00 0.00 H new ATOM 0 HG21 THR A 105 15.796 14.571 -26.364 1.00 0.00 H new ATOM 0 HG22 THR A 105 15.284 15.054 -24.729 1.00 0.00 H new ATOM 0 HG23 THR A 105 14.742 13.501 -25.409 1.00 0.00 H new ATOM 1573 N MET A 106 11.376 13.148 -25.820 1.00 0.00 N ATOM 1574 CA MET A 106 10.753 11.863 -25.538 1.00 0.00 C ATOM 1575 C MET A 106 11.777 10.761 -25.275 1.00 0.00 C ATOM 1576 O MET A 106 11.480 9.824 -24.536 1.00 0.00 O ATOM 1577 CB MET A 106 9.857 11.458 -26.713 1.00 0.00 C ATOM 1578 CG MET A 106 8.650 12.388 -26.866 1.00 0.00 C ATOM 1579 SD MET A 106 9.024 14.071 -27.431 1.00 0.00 S ATOM 1580 CE MET A 106 7.349 14.765 -27.391 1.00 0.00 C ATOM 0 H MET A 106 11.189 13.504 -26.757 1.00 0.00 H new ATOM 0 HA MET A 106 10.161 11.982 -24.630 1.00 0.00 H new ATOM 0 HB2 MET A 106 10.441 11.468 -27.633 1.00 0.00 H new ATOM 0 HB3 MET A 106 9.510 10.435 -26.567 1.00 0.00 H new ATOM 0 HG2 MET A 106 7.952 11.935 -27.569 1.00 0.00 H new ATOM 0 HG3 MET A 106 8.139 12.452 -25.905 1.00 0.00 H new ATOM 0 HE1 MET A 106 7.379 15.807 -27.711 1.00 0.00 H new ATOM 0 HE2 MET A 106 6.704 14.198 -28.062 1.00 0.00 H new ATOM 0 HE3 MET A 106 6.956 14.708 -26.376 1.00 0.00 H new ATOM 1590 N ASP A 107 12.975 10.849 -25.860 1.00 0.00 N ATOM 1591 CA ASP A 107 13.984 9.816 -25.674 1.00 0.00 C ATOM 1592 C ASP A 107 14.794 10.034 -24.398 1.00 0.00 C ATOM 1593 O ASP A 107 15.109 9.080 -23.690 1.00 0.00 O ATOM 1594 CB ASP A 107 14.896 9.793 -26.902 1.00 0.00 C ATOM 1595 CG ASP A 107 15.919 8.663 -26.801 1.00 0.00 C ATOM 1596 OD1 ASP A 107 15.543 7.508 -27.110 1.00 0.00 O ATOM 1597 OD2 ASP A 107 17.075 8.958 -26.420 1.00 0.00 O ATOM 0 H ASP A 107 13.263 11.621 -26.461 1.00 0.00 H new ATOM 0 HA ASP A 107 13.485 8.853 -25.565 1.00 0.00 H new ATOM 0 HB2 ASP A 107 14.296 9.666 -27.803 1.00 0.00 H new ATOM 0 HB3 ASP A 107 15.412 10.749 -26.995 1.00 0.00 H new ATOM 1602 N GLY A 108 15.137 11.289 -24.093 1.00 0.00 N ATOM 1603 CA GLY A 108 15.995 11.604 -22.959 1.00 0.00 C ATOM 1604 C GLY A 108 15.235 11.603 -21.639 1.00 0.00 C ATOM 1605 O GLY A 108 15.830 11.377 -20.587 1.00 0.00 O ATOM 0 H GLY A 108 14.829 12.104 -24.623 1.00 0.00 H new ATOM 0 HA2 GLY A 108 16.807 10.878 -22.908 1.00 0.00 H new ATOM 0 HA3 GLY A 108 16.451 12.582 -23.112 1.00 0.00 H new ATOM 1609 N VAL A 109 13.922 11.852 -21.678 1.00 0.00 N ATOM 1610 CA VAL A 109 13.115 11.895 -20.467 1.00 0.00 C ATOM 1611 C VAL A 109 12.630 10.495 -20.103 1.00 0.00 C ATOM 1612 O VAL A 109 12.414 10.205 -18.929 1.00 0.00 O ATOM 1613 CB VAL A 109 11.954 12.874 -20.662 1.00 0.00 C ATOM 1614 CG1 VAL A 109 11.061 12.932 -19.421 1.00 0.00 C ATOM 1615 CG2 VAL A 109 12.508 14.277 -20.911 1.00 0.00 C ATOM 0 H VAL A 109 13.401 12.026 -22.537 1.00 0.00 H new ATOM 0 HA VAL A 109 13.719 12.251 -19.633 1.00 0.00 H new ATOM 0 HB VAL A 109 11.366 12.528 -21.512 1.00 0.00 H new ATOM 0 HG11 VAL A 109 10.246 13.636 -19.592 1.00 0.00 H new ATOM 0 HG12 VAL A 109 10.650 11.942 -19.222 1.00 0.00 H new ATOM 0 HG13 VAL A 109 11.650 13.259 -18.564 1.00 0.00 H new ATOM 0 HG21 VAL A 109 11.682 14.975 -21.050 1.00 0.00 H new ATOM 0 HG22 VAL A 109 13.107 14.589 -20.055 1.00 0.00 H new ATOM 0 HG23 VAL A 109 13.131 14.269 -21.806 1.00 0.00 H new ATOM 1625 N ALA A 110 12.457 9.615 -21.092 1.00 0.00 N ATOM 1626 CA ALA A 110 12.033 8.251 -20.816 1.00 0.00 C ATOM 1627 C ALA A 110 13.166 7.472 -20.153 1.00 0.00 C ATOM 1628 O ALA A 110 12.920 6.552 -19.377 1.00 0.00 O ATOM 1629 CB ALA A 110 11.608 7.585 -22.126 1.00 0.00 C ATOM 0 H ALA A 110 12.604 9.824 -22.079 1.00 0.00 H new ATOM 0 HA ALA A 110 11.186 8.260 -20.130 1.00 0.00 H new ATOM 0 HB1 ALA A 110 11.289 6.562 -21.927 1.00 0.00 H new ATOM 0 HB2 ALA A 110 10.782 8.144 -22.567 1.00 0.00 H new ATOM 0 HB3 ALA A 110 12.450 7.574 -22.819 1.00 0.00 H new ATOM 1635 N LYS A 111 14.417 7.847 -20.458 1.00 0.00 N ATOM 1636 CA LYS A 111 15.592 7.226 -19.864 1.00 0.00 C ATOM 1637 C LYS A 111 15.909 7.857 -18.512 1.00 0.00 C ATOM 1638 O LYS A 111 16.524 7.214 -17.664 1.00 0.00 O ATOM 1639 CB LYS A 111 16.767 7.371 -20.831 1.00 0.00 C ATOM 1640 CG LYS A 111 16.508 6.570 -22.109 1.00 0.00 C ATOM 1641 CD LYS A 111 17.578 6.884 -23.155 1.00 0.00 C ATOM 1642 CE LYS A 111 17.275 6.109 -24.434 1.00 0.00 C ATOM 1643 NZ LYS A 111 18.183 6.509 -25.524 1.00 0.00 N ATOM 0 H LYS A 111 14.634 8.589 -21.123 1.00 0.00 H new ATOM 0 HA LYS A 111 15.400 6.167 -19.689 1.00 0.00 H new ATOM 0 HB2 LYS A 111 16.916 8.422 -21.077 1.00 0.00 H new ATOM 0 HB3 LYS A 111 17.683 7.022 -20.355 1.00 0.00 H new ATOM 0 HG2 LYS A 111 16.510 5.503 -21.885 1.00 0.00 H new ATOM 0 HG3 LYS A 111 15.521 6.811 -22.504 1.00 0.00 H new ATOM 0 HD2 LYS A 111 17.599 7.954 -23.361 1.00 0.00 H new ATOM 0 HD3 LYS A 111 18.564 6.613 -22.777 1.00 0.00 H new ATOM 0 HE2 LYS A 111 17.375 5.040 -24.247 1.00 0.00 H new ATOM 0 HE3 LYS A 111 16.242 6.285 -24.734 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 18.109 5.827 -26.305 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 17.920 7.456 -25.865 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 19.161 6.527 -25.172 1.00 0.00 H new ATOM 1657 N ALA A 112 15.495 9.109 -18.300 1.00 0.00 N ATOM 1658 CA ALA A 112 15.726 9.793 -17.039 1.00 0.00 C ATOM 1659 C ALA A 112 14.697 9.364 -15.995 1.00 0.00 C ATOM 1660 O ALA A 112 15.012 9.308 -14.808 1.00 0.00 O ATOM 1661 CB ALA A 112 15.661 11.301 -17.274 1.00 0.00 C ATOM 0 H ALA A 112 14.996 9.666 -18.994 1.00 0.00 H new ATOM 0 HA ALA A 112 16.712 9.528 -16.658 1.00 0.00 H new ATOM 0 HB1 ALA A 112 15.833 11.824 -16.333 1.00 0.00 H new ATOM 0 HB2 ALA A 112 16.426 11.590 -17.995 1.00 0.00 H new ATOM 0 HB3 ALA A 112 14.678 11.567 -17.662 1.00 0.00 H new ATOM 1667 N LEU A 113 13.471 9.052 -16.426 1.00 0.00 N ATOM 1668 CA LEU A 113 12.433 8.595 -15.519 1.00 0.00 C ATOM 1669 C LEU A 113 12.721 7.146 -15.127 1.00 0.00 C ATOM 1670 O LEU A 113 12.452 6.736 -14.000 1.00 0.00 O ATOM 1671 CB LEU A 113 11.072 8.752 -16.212 1.00 0.00 C ATOM 1672 CG LEU A 113 9.892 9.039 -15.272 1.00 0.00 C ATOM 1673 CD1 LEU A 113 9.736 7.989 -14.176 1.00 0.00 C ATOM 1674 CD2 LEU A 113 10.038 10.413 -14.620 1.00 0.00 C ATOM 0 H LEU A 113 13.180 9.110 -17.402 1.00 0.00 H new ATOM 0 HA LEU A 113 12.414 9.188 -14.604 1.00 0.00 H new ATOM 0 HB2 LEU A 113 11.143 9.561 -16.939 1.00 0.00 H new ATOM 0 HB3 LEU A 113 10.859 7.840 -16.770 1.00 0.00 H new ATOM 0 HG LEU A 113 8.999 9.011 -15.897 1.00 0.00 H new ATOM 0 HD11 LEU A 113 8.886 8.246 -13.544 1.00 0.00 H new ATOM 0 HD12 LEU A 113 9.569 7.012 -14.629 1.00 0.00 H new ATOM 0 HD13 LEU A 113 10.642 7.958 -13.571 1.00 0.00 H new ATOM 0 HD21 LEU A 113 9.191 10.594 -13.959 1.00 0.00 H new ATOM 0 HD22 LEU A 113 10.962 10.446 -14.043 1.00 0.00 H new ATOM 0 HD23 LEU A 113 10.066 11.181 -15.393 1.00 0.00 H new ATOM 1686 N ALA A 114 13.274 6.359 -16.055 1.00 0.00 N ATOM 1687 CA ALA A 114 13.634 4.979 -15.772 1.00 0.00 C ATOM 1688 C ALA A 114 14.835 4.920 -14.826 1.00 0.00 C ATOM 1689 O ALA A 114 15.003 3.933 -14.110 1.00 0.00 O ATOM 1690 CB ALA A 114 13.934 4.268 -17.089 1.00 0.00 C ATOM 0 H ALA A 114 13.480 6.661 -17.007 1.00 0.00 H new ATOM 0 HA ALA A 114 12.804 4.476 -15.275 1.00 0.00 H new ATOM 0 HB1 ALA A 114 14.205 3.231 -16.889 1.00 0.00 H new ATOM 0 HB2 ALA A 114 13.050 4.295 -17.727 1.00 0.00 H new ATOM 0 HB3 ALA A 114 14.761 4.769 -17.593 1.00 0.00 H new ATOM 1696 N ALA A 115 15.668 5.965 -14.817 1.00 0.00 N ATOM 1697 CA ALA A 115 16.798 6.057 -13.899 1.00 0.00 C ATOM 1698 C ALA A 115 16.383 6.686 -12.565 1.00 0.00 C ATOM 1699 O ALA A 115 17.122 6.596 -11.587 1.00 0.00 O ATOM 1700 CB ALA A 115 17.909 6.863 -14.564 1.00 0.00 C ATOM 0 H ALA A 115 15.576 6.765 -15.444 1.00 0.00 H new ATOM 0 HA ALA A 115 17.161 5.054 -13.676 1.00 0.00 H new ATOM 0 HB1 ALA A 115 18.759 6.938 -13.886 1.00 0.00 H new ATOM 0 HB2 ALA A 115 18.220 6.365 -15.483 1.00 0.00 H new ATOM 0 HB3 ALA A 115 17.543 7.862 -14.799 1.00 0.00 H new ATOM 1706 N LEU A 116 15.208 7.322 -12.524 1.00 0.00 N ATOM 1707 CA LEU A 116 14.684 7.952 -11.324 1.00 0.00 C ATOM 1708 C LEU A 116 13.819 6.974 -10.529 1.00 0.00 C ATOM 1709 O LEU A 116 13.735 7.074 -9.308 1.00 0.00 O ATOM 1710 CB LEU A 116 13.913 9.205 -11.761 1.00 0.00 C ATOM 1711 CG LEU A 116 13.264 9.989 -10.615 1.00 0.00 C ATOM 1712 CD1 LEU A 116 13.115 11.450 -11.038 1.00 0.00 C ATOM 1713 CD2 LEU A 116 11.858 9.477 -10.295 1.00 0.00 C ATOM 0 H LEU A 116 14.594 7.411 -13.334 1.00 0.00 H new ATOM 0 HA LEU A 116 15.490 8.245 -10.651 1.00 0.00 H new ATOM 0 HB2 LEU A 116 14.595 9.867 -12.296 1.00 0.00 H new ATOM 0 HB3 LEU A 116 13.137 8.910 -12.467 1.00 0.00 H new ATOM 0 HG LEU A 116 13.901 9.871 -9.739 1.00 0.00 H new ATOM 0 HD11 LEU A 116 12.654 12.018 -10.230 1.00 0.00 H new ATOM 0 HD12 LEU A 116 14.098 11.867 -11.260 1.00 0.00 H new ATOM 0 HD13 LEU A 116 12.487 11.509 -11.927 1.00 0.00 H new ATOM 0 HD21 LEU A 116 11.436 10.061 -9.477 1.00 0.00 H new ATOM 0 HD22 LEU A 116 11.225 9.577 -11.177 1.00 0.00 H new ATOM 0 HD23 LEU A 116 11.910 8.428 -10.003 1.00 0.00 H new ATOM 1725 N LEU A 117 13.179 6.028 -11.225 1.00 0.00 N ATOM 1726 CA LEU A 117 12.242 5.089 -10.622 1.00 0.00 C ATOM 1727 C LEU A 117 12.951 3.859 -10.047 1.00 0.00 C ATOM 1728 O LEU A 117 12.299 2.883 -9.681 1.00 0.00 O ATOM 1729 CB LEU A 117 11.170 4.740 -11.667 1.00 0.00 C ATOM 1730 CG LEU A 117 9.915 4.067 -11.091 1.00 0.00 C ATOM 1731 CD1 LEU A 117 9.301 4.910 -9.974 1.00 0.00 C ATOM 1732 CD2 LEU A 117 8.890 3.910 -12.211 1.00 0.00 C ATOM 0 H LEU A 117 13.301 5.896 -12.229 1.00 0.00 H new ATOM 0 HA LEU A 117 11.754 5.550 -9.763 1.00 0.00 H new ATOM 0 HB2 LEU A 117 10.873 5.653 -12.183 1.00 0.00 H new ATOM 0 HB3 LEU A 117 11.610 4.080 -12.414 1.00 0.00 H new ATOM 0 HG LEU A 117 10.195 3.098 -10.678 1.00 0.00 H new ATOM 0 HD11 LEU A 117 8.414 4.409 -9.585 1.00 0.00 H new ATOM 0 HD12 LEU A 117 10.028 5.036 -9.172 1.00 0.00 H new ATOM 0 HD13 LEU A 117 9.022 5.888 -10.367 1.00 0.00 H new ATOM 0 HD21 LEU A 117 7.992 3.433 -11.818 1.00 0.00 H new ATOM 0 HD22 LEU A 117 8.635 4.891 -12.611 1.00 0.00 H new ATOM 0 HD23 LEU A 117 9.310 3.293 -13.005 1.00 0.00 H new ATOM 1744 N VAL A 118 14.286 3.892 -9.966 1.00 0.00 N ATOM 1745 CA VAL A 118 15.088 2.784 -9.459 1.00 0.00 C ATOM 1746 C VAL A 118 16.160 3.293 -8.497 1.00 0.00 C ATOM 1747 O VAL A 118 16.455 2.557 -7.530 1.00 0.00 O ATOM 1748 CB VAL A 118 15.679 1.991 -10.631 1.00 0.00 C ATOM 1749 CG1 VAL A 118 16.680 2.825 -11.431 1.00 0.00 C ATOM 1750 CG2 VAL A 118 16.365 0.725 -10.123 1.00 0.00 C ATOM 0 H VAL A 118 14.841 4.698 -10.254 1.00 0.00 H new ATOM 0 HA VAL A 118 14.454 2.104 -8.890 1.00 0.00 H new ATOM 0 HB VAL A 118 14.853 1.723 -11.290 1.00 0.00 H new ATOM 0 HG11 VAL A 118 17.076 2.228 -12.252 1.00 0.00 H new ATOM 0 HG12 VAL A 118 16.181 3.707 -11.831 1.00 0.00 H new ATOM 0 HG13 VAL A 118 17.498 3.135 -10.780 1.00 0.00 H new ATOM 0 HG21 VAL A 118 16.780 0.173 -10.966 1.00 0.00 H new ATOM 0 HG22 VAL A 118 17.167 0.996 -9.437 1.00 0.00 H new ATOM 0 HG23 VAL A 118 15.638 0.101 -9.603 1.00 0.00 H new