USER MOD reduce.3.24.130724 H: found=0, std=0, add=773, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 774 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 65 LYS NZ :NH3+ -153:sc= -0.229 (180deg=-1.89!) USER MOD Set 1.2: A 83 THR OG1 : rot -120:sc= 0.164 USER MOD Single : A 8 ASN : amide:sc= -1.21 K(o=-1.2,f=-0.014) USER MOD Single : A 13 THR OG1 : rot 70:sc= 1.27 USER MOD Single : A 19 CYS SG : rot -119:sc= 1.15 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 SER OG : rot -35:sc= 0.122 USER MOD Single : A 27 HIS : no HD1:sc= -0.173 X(o=-0.17,f=-0.17) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ -159:sc= -0.153 (180deg=-0.701) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 170:sc=-0.00868 (180deg=-0.123) USER MOD Single : A 46 LYS NZ :NH3+ -136:sc= -1.6! (180deg=-4.58!) USER MOD Single : A 53 GLN : amide:sc= -1.46! C(o=-1.5!,f=-6.5!) USER MOD Single : A 55 LYS NZ :NH3+ -147:sc= 1.15 (180deg=-0.353) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 69 GLN : amide:sc= -2.56! K(o=-2.6!,f=-0.7) USER MOD Single : A 70 ASN : amide:sc= -0.586 K(o=-0.59,f=-0.0012) USER MOD Single : A 72 SER OG : rot -160:sc= -0.0668 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 84 LYS NZ :NH3+ -145:sc= -0.221 (180deg=-0.389!) USER MOD Single : A 88 LYS NZ :NH3+ 160:sc= -0.0852 (180deg=-0.511) USER MOD Single : A 92 SER OG : rot 40:sc= 0.315 USER MOD Single : A 97 LYS NZ :NH3+ -120:sc= -0.253 (180deg=-1.25) USER MOD Single : A 106 MET CE :methyl 137:sc= -1.06 (180deg=-3.24!) USER MOD Single : A 108 LYS NZ :NH3+ 177:sc= 1.29 (180deg=1.29) USER MOD ----------------------------------------------------------------- ATOM 60 N GLY A 5 -14.015 7.447 5.321 1.00 0.00 N ATOM 61 CA GLY A 5 -12.961 8.415 5.574 1.00 0.00 C ATOM 62 C GLY A 5 -11.763 7.820 6.289 1.00 0.00 C ATOM 63 O GLY A 5 -11.033 8.527 6.983 1.00 0.00 O ATOM 0 HA2 GLY A 5 -12.635 8.843 4.626 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -13.363 9.233 6.172 1.00 0.00 H new ATOM 67 N ILE A 6 -11.568 6.520 6.124 1.00 0.00 N ATOM 68 CA ILE A 6 -10.379 5.847 6.614 1.00 0.00 C ATOM 69 C ILE A 6 -9.179 6.321 5.808 1.00 0.00 C ATOM 70 O ILE A 6 -8.084 6.529 6.334 1.00 0.00 O ATOM 71 CB ILE A 6 -10.505 4.319 6.467 1.00 0.00 C ATOM 72 CG1 ILE A 6 -11.761 3.807 7.170 1.00 0.00 C ATOM 73 CG2 ILE A 6 -9.269 3.630 7.021 1.00 0.00 C ATOM 74 CD1 ILE A 6 -12.033 2.342 6.908 1.00 0.00 C ATOM 0 H ILE A 6 -12.228 5.906 5.648 1.00 0.00 H new ATOM 0 HA ILE A 6 -10.256 6.085 7.671 1.00 0.00 H new ATOM 0 HB ILE A 6 -10.589 4.084 5.406 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -11.659 3.965 8.244 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -12.619 4.394 6.841 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -9.373 2.551 6.910 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -8.388 3.968 6.474 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -9.157 3.877 8.077 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -12.938 2.040 7.435 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -12.166 2.182 5.838 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -11.191 1.747 7.262 1.00 0.00 H new ATOM 86 N LEU A 7 -9.418 6.505 4.522 1.00 0.00 N ATOM 87 CA LEU A 7 -8.405 6.985 3.607 1.00 0.00 C ATOM 88 C LEU A 7 -9.013 8.028 2.688 1.00 0.00 C ATOM 89 O LEU A 7 -10.205 7.978 2.376 1.00 0.00 O ATOM 90 CB LEU A 7 -7.745 5.823 2.812 1.00 0.00 C ATOM 91 CG LEU A 7 -8.602 5.006 1.806 1.00 0.00 C ATOM 92 CD1 LEU A 7 -9.886 4.476 2.427 1.00 0.00 C ATOM 93 CD2 LEU A 7 -8.903 5.801 0.542 1.00 0.00 C ATOM 0 H LEU A 7 -10.322 6.325 4.085 1.00 0.00 H new ATOM 0 HA LEU A 7 -7.603 7.449 4.181 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -6.902 6.241 2.261 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -7.335 5.121 3.538 1.00 0.00 H new ATOM 0 HG LEU A 7 -7.997 4.143 1.527 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -10.446 3.913 1.680 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -9.642 3.824 3.266 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -10.491 5.311 2.781 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -9.504 5.194 -0.135 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -9.452 6.705 0.803 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -7.968 6.073 0.052 1.00 0.00 H new ATOM 105 N ASN A 8 -8.208 8.990 2.290 1.00 0.00 N ATOM 106 CA ASN A 8 -8.672 10.040 1.406 1.00 0.00 C ATOM 107 C ASN A 8 -8.215 9.755 -0.010 1.00 0.00 C ATOM 108 O ASN A 8 -7.019 9.766 -0.296 1.00 0.00 O ATOM 109 CB ASN A 8 -8.145 11.399 1.867 1.00 0.00 C ATOM 110 CG ASN A 8 -8.647 11.787 3.247 1.00 0.00 C ATOM 111 OD1 ASN A 8 -7.974 12.508 3.983 1.00 0.00 O ATOM 112 ND2 ASN A 8 -9.824 11.305 3.614 1.00 0.00 N ATOM 0 H ASN A 8 -7.229 9.067 2.564 1.00 0.00 H new ATOM 0 HA ASN A 8 -9.761 10.067 1.432 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -7.055 11.378 1.874 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -8.444 12.162 1.149 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -10.202 11.528 4.535 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -10.353 10.710 2.976 1.00 0.00 H new ATOM 119 N ASP A 9 -9.174 9.499 -0.892 1.00 0.00 N ATOM 120 CA ASP A 9 -8.882 9.135 -2.277 1.00 0.00 C ATOM 121 C ASP A 9 -8.052 10.217 -2.956 1.00 0.00 C ATOM 122 O ASP A 9 -7.261 9.938 -3.853 1.00 0.00 O ATOM 123 CB ASP A 9 -10.183 8.892 -3.050 1.00 0.00 C ATOM 124 CG ASP A 9 -10.807 10.156 -3.614 1.00 0.00 C ATOM 125 OD1 ASP A 9 -11.319 10.980 -2.823 1.00 0.00 O ATOM 126 OD2 ASP A 9 -10.807 10.317 -4.858 1.00 0.00 O ATOM 0 H ASP A 9 -10.169 9.537 -0.672 1.00 0.00 H new ATOM 0 HA ASP A 9 -8.302 8.212 -2.274 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -9.984 8.200 -3.868 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -10.902 8.407 -2.390 1.00 0.00 H new ATOM 131 N ALA A 10 -8.238 11.451 -2.508 1.00 0.00 N ATOM 132 CA ALA A 10 -7.454 12.579 -3.000 1.00 0.00 C ATOM 133 C ALA A 10 -5.981 12.429 -2.632 1.00 0.00 C ATOM 134 O ALA A 10 -5.102 12.704 -3.447 1.00 0.00 O ATOM 135 CB ALA A 10 -8.004 13.884 -2.450 1.00 0.00 C ATOM 0 H ALA A 10 -8.929 11.699 -1.800 1.00 0.00 H new ATOM 0 HA ALA A 10 -7.530 12.593 -4.087 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -7.409 14.717 -2.826 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -9.039 14.005 -2.768 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -7.959 13.868 -1.361 1.00 0.00 H new ATOM 141 N ASP A 11 -5.714 11.982 -1.407 1.00 0.00 N ATOM 142 CA ASP A 11 -4.342 11.780 -0.943 1.00 0.00 C ATOM 143 C ASP A 11 -3.699 10.621 -1.677 1.00 0.00 C ATOM 144 O ASP A 11 -2.524 10.675 -2.043 1.00 0.00 O ATOM 145 CB ASP A 11 -4.300 11.529 0.568 1.00 0.00 C ATOM 146 CG ASP A 11 -4.490 12.793 1.379 1.00 0.00 C ATOM 147 OD1 ASP A 11 -5.593 13.376 1.333 1.00 0.00 O ATOM 148 OD2 ASP A 11 -3.537 13.210 2.073 1.00 0.00 O ATOM 0 H ASP A 11 -6.429 11.752 -0.717 1.00 0.00 H new ATOM 0 HA ASP A 11 -3.782 12.691 -1.155 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -5.077 10.812 0.834 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -3.344 11.075 0.830 1.00 0.00 H new ATOM 153 N ILE A 12 -4.480 9.577 -1.885 1.00 0.00 N ATOM 154 CA ILE A 12 -4.052 8.441 -2.681 1.00 0.00 C ATOM 155 C ILE A 12 -3.706 8.899 -4.098 1.00 0.00 C ATOM 156 O ILE A 12 -2.652 8.559 -4.636 1.00 0.00 O ATOM 157 CB ILE A 12 -5.152 7.353 -2.715 1.00 0.00 C ATOM 158 CG1 ILE A 12 -5.102 6.471 -1.457 1.00 0.00 C ATOM 159 CG2 ILE A 12 -5.039 6.487 -3.961 1.00 0.00 C ATOM 160 CD1 ILE A 12 -5.449 7.185 -0.168 1.00 0.00 C ATOM 0 H ILE A 12 -5.424 9.492 -1.509 1.00 0.00 H new ATOM 0 HA ILE A 12 -3.162 8.008 -2.224 1.00 0.00 H new ATOM 0 HB ILE A 12 -6.112 7.869 -2.740 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -5.788 5.635 -1.589 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -4.101 6.050 -1.365 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -5.826 5.733 -3.953 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -5.143 7.111 -4.849 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -4.066 5.995 -3.975 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -5.387 6.484 0.664 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -4.748 8.004 -0.006 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -6.462 7.582 -0.233 1.00 0.00 H new ATOM 172 N THR A 13 -4.593 9.698 -4.676 1.00 0.00 N ATOM 173 CA THR A 13 -4.388 10.248 -6.008 1.00 0.00 C ATOM 174 C THR A 13 -3.150 11.145 -6.043 1.00 0.00 C ATOM 175 O THR A 13 -2.415 11.156 -7.026 1.00 0.00 O ATOM 176 CB THR A 13 -5.625 11.050 -6.462 1.00 0.00 C ATOM 177 OG1 THR A 13 -6.787 10.210 -6.426 1.00 0.00 O ATOM 178 CG2 THR A 13 -5.445 11.609 -7.865 1.00 0.00 C ATOM 0 H THR A 13 -5.469 9.981 -4.238 1.00 0.00 H new ATOM 0 HA THR A 13 -4.235 9.414 -6.693 1.00 0.00 H new ATOM 0 HB THR A 13 -5.750 11.888 -5.777 1.00 0.00 H new ATOM 0 HG1 THR A 13 -7.016 10.008 -5.495 1.00 0.00 H new ATOM 0 HG21 THR A 13 -6.336 12.168 -8.151 1.00 0.00 H new ATOM 0 HG22 THR A 13 -4.579 12.271 -7.885 1.00 0.00 H new ATOM 0 HG23 THR A 13 -5.290 10.789 -8.566 1.00 0.00 H new ATOM 186 N ALA A 14 -2.914 11.876 -4.959 1.00 0.00 N ATOM 187 CA ALA A 14 -1.772 12.778 -4.873 1.00 0.00 C ATOM 188 C ALA A 14 -0.460 12.013 -5.012 1.00 0.00 C ATOM 189 O ALA A 14 0.376 12.352 -5.850 1.00 0.00 O ATOM 190 CB ALA A 14 -1.801 13.552 -3.562 1.00 0.00 C ATOM 0 H ALA A 14 -3.501 11.861 -4.125 1.00 0.00 H new ATOM 0 HA ALA A 14 -1.839 13.488 -5.697 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -0.941 14.220 -3.515 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -2.719 14.137 -3.505 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -1.764 12.853 -2.726 1.00 0.00 H new ATOM 196 N ALA A 15 -0.292 10.979 -4.192 1.00 0.00 N ATOM 197 CA ALA A 15 0.909 10.150 -4.235 1.00 0.00 C ATOM 198 C ALA A 15 1.081 9.479 -5.598 1.00 0.00 C ATOM 199 O ALA A 15 2.198 9.353 -6.103 1.00 0.00 O ATOM 200 CB ALA A 15 0.859 9.104 -3.134 1.00 0.00 C ATOM 0 H ALA A 15 -0.974 10.695 -3.489 1.00 0.00 H new ATOM 0 HA ALA A 15 1.770 10.799 -4.076 1.00 0.00 H new ATOM 0 HB1 ALA A 15 1.759 8.490 -3.174 1.00 0.00 H new ATOM 0 HB2 ALA A 15 0.800 9.599 -2.165 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -0.018 8.471 -3.273 1.00 0.00 H new ATOM 206 N LEU A 16 -0.030 9.058 -6.190 1.00 0.00 N ATOM 207 CA LEU A 16 -0.009 8.395 -7.491 1.00 0.00 C ATOM 208 C LEU A 16 0.346 9.371 -8.612 1.00 0.00 C ATOM 209 O LEU A 16 1.134 9.049 -9.499 1.00 0.00 O ATOM 210 CB LEU A 16 -1.364 7.741 -7.764 1.00 0.00 C ATOM 211 CG LEU A 16 -1.634 6.470 -6.959 1.00 0.00 C ATOM 212 CD1 LEU A 16 -3.117 6.152 -6.946 1.00 0.00 C ATOM 213 CD2 LEU A 16 -0.858 5.299 -7.541 1.00 0.00 C ATOM 0 H LEU A 16 -0.962 9.164 -5.789 1.00 0.00 H new ATOM 0 HA LEU A 16 0.763 7.626 -7.466 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -2.151 8.464 -7.550 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -1.430 7.503 -8.826 1.00 0.00 H new ATOM 0 HG LEU A 16 -1.303 6.639 -5.934 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -3.289 5.244 -6.368 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -3.663 6.980 -6.493 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -3.466 6.004 -7.968 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -1.061 4.402 -6.957 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -1.165 5.136 -8.574 1.00 0.00 H new ATOM 0 HD23 LEU A 16 0.209 5.518 -7.510 1.00 0.00 H new ATOM 225 N ALA A 17 -0.230 10.564 -8.558 1.00 0.00 N ATOM 226 CA ALA A 17 0.015 11.585 -9.570 1.00 0.00 C ATOM 227 C ALA A 17 1.402 12.193 -9.411 1.00 0.00 C ATOM 228 O ALA A 17 1.921 12.828 -10.328 1.00 0.00 O ATOM 229 CB ALA A 17 -1.048 12.671 -9.493 1.00 0.00 C ATOM 0 H ALA A 17 -0.874 10.851 -7.820 1.00 0.00 H new ATOM 0 HA ALA A 17 -0.036 11.109 -10.549 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -0.852 13.426 -10.254 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -2.031 12.231 -9.663 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -1.024 13.135 -8.507 1.00 0.00 H new ATOM 235 N ALA A 18 1.999 11.994 -8.246 1.00 0.00 N ATOM 236 CA ALA A 18 3.322 12.527 -7.965 1.00 0.00 C ATOM 237 C ALA A 18 4.373 11.785 -8.767 1.00 0.00 C ATOM 238 O ALA A 18 5.366 12.366 -9.202 1.00 0.00 O ATOM 239 CB ALA A 18 3.635 12.417 -6.483 1.00 0.00 C ATOM 0 H ALA A 18 1.586 11.465 -7.478 1.00 0.00 H new ATOM 0 HA ALA A 18 3.334 13.578 -8.252 1.00 0.00 H new ATOM 0 HB1 ALA A 18 4.629 12.820 -6.290 1.00 0.00 H new ATOM 0 HB2 ALA A 18 2.897 12.981 -5.912 1.00 0.00 H new ATOM 0 HB3 ALA A 18 3.604 11.370 -6.181 1.00 0.00 H new ATOM 245 N CYS A 19 4.130 10.502 -8.971 1.00 0.00 N ATOM 246 CA CYS A 19 5.102 9.634 -9.613 1.00 0.00 C ATOM 247 C CYS A 19 4.474 8.893 -10.789 1.00 0.00 C ATOM 248 O CYS A 19 4.722 7.706 -10.992 1.00 0.00 O ATOM 249 CB CYS A 19 5.642 8.636 -8.593 1.00 0.00 C ATOM 250 SG CYS A 19 6.242 9.397 -7.066 1.00 0.00 S ATOM 0 H CYS A 19 3.264 10.037 -8.700 1.00 0.00 H new ATOM 0 HA CYS A 19 5.920 10.245 -9.995 1.00 0.00 H new ATOM 0 HB2 CYS A 19 4.856 7.922 -8.347 1.00 0.00 H new ATOM 0 HB3 CYS A 19 6.455 8.070 -9.049 1.00 0.00 H new ATOM 0 HG CYS A 19 7.508 9.140 -6.922 1.00 0.00 H new ATOM 256 N LYS A 20 3.670 9.605 -11.568 1.00 0.00 N ATOM 257 CA LYS A 20 2.953 9.019 -12.684 1.00 0.00 C ATOM 258 C LYS A 20 3.841 8.893 -13.924 1.00 0.00 C ATOM 259 O LYS A 20 3.487 9.357 -15.010 1.00 0.00 O ATOM 260 CB LYS A 20 1.726 9.876 -12.989 1.00 0.00 C ATOM 261 CG LYS A 20 2.039 11.351 -13.200 1.00 0.00 C ATOM 262 CD LYS A 20 0.785 12.149 -13.507 1.00 0.00 C ATOM 263 CE LYS A 20 1.103 13.622 -13.708 1.00 0.00 C ATOM 264 NZ LYS A 20 -0.115 14.415 -14.016 1.00 0.00 N ATOM 0 H LYS A 20 3.499 10.603 -11.441 1.00 0.00 H new ATOM 0 HA LYS A 20 2.643 8.011 -12.409 1.00 0.00 H new ATOM 0 HB2 LYS A 20 1.237 9.487 -13.882 1.00 0.00 H new ATOM 0 HB3 LYS A 20 1.015 9.780 -12.169 1.00 0.00 H new ATOM 0 HG2 LYS A 20 2.518 11.753 -12.307 1.00 0.00 H new ATOM 0 HG3 LYS A 20 2.750 11.459 -14.019 1.00 0.00 H new ATOM 0 HD2 LYS A 20 0.309 11.752 -14.404 1.00 0.00 H new ATOM 0 HD3 LYS A 20 0.071 12.037 -12.691 1.00 0.00 H new ATOM 0 HE2 LYS A 20 1.576 14.017 -12.809 1.00 0.00 H new ATOM 0 HE3 LYS A 20 1.822 13.731 -14.520 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 0.145 15.414 -14.146 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -0.553 14.055 -14.888 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -0.791 14.333 -13.230 1.00 0.00 H new ATOM 278 N ALA A 21 4.990 8.254 -13.760 1.00 0.00 N ATOM 279 CA ALA A 21 5.930 8.069 -14.854 1.00 0.00 C ATOM 280 C ALA A 21 6.791 6.838 -14.614 1.00 0.00 C ATOM 281 O ALA A 21 7.206 6.574 -13.483 1.00 0.00 O ATOM 282 CB ALA A 21 6.807 9.303 -15.012 1.00 0.00 C ATOM 0 H ALA A 21 5.295 7.853 -12.873 1.00 0.00 H new ATOM 0 HA ALA A 21 5.364 7.922 -15.774 1.00 0.00 H new ATOM 0 HB1 ALA A 21 7.506 9.150 -15.835 1.00 0.00 H new ATOM 0 HB2 ALA A 21 6.181 10.170 -15.224 1.00 0.00 H new ATOM 0 HB3 ALA A 21 7.363 9.474 -14.091 1.00 0.00 H new ATOM 288 N GLU A 22 7.039 6.081 -15.677 1.00 0.00 N ATOM 289 CA GLU A 22 7.870 4.887 -15.595 1.00 0.00 C ATOM 290 C GLU A 22 9.276 5.249 -15.130 1.00 0.00 C ATOM 291 O GLU A 22 9.957 6.074 -15.746 1.00 0.00 O ATOM 292 CB GLU A 22 7.944 4.164 -16.947 1.00 0.00 C ATOM 293 CG GLU A 22 6.599 3.701 -17.496 1.00 0.00 C ATOM 294 CD GLU A 22 5.826 4.806 -18.192 1.00 0.00 C ATOM 295 OE1 GLU A 22 5.056 5.519 -17.520 1.00 0.00 O ATOM 296 OE2 GLU A 22 5.985 4.964 -19.420 1.00 0.00 O ATOM 0 H GLU A 22 6.674 6.275 -16.610 1.00 0.00 H new ATOM 0 HA GLU A 22 7.411 4.215 -14.870 1.00 0.00 H new ATOM 0 HB2 GLU A 22 8.408 4.830 -17.675 1.00 0.00 H new ATOM 0 HB3 GLU A 22 8.597 3.297 -16.845 1.00 0.00 H new ATOM 0 HG2 GLU A 22 6.762 2.883 -18.198 1.00 0.00 H new ATOM 0 HG3 GLU A 22 5.997 3.304 -16.678 1.00 0.00 H new ATOM 303 N GLY A 23 9.692 4.637 -14.033 1.00 0.00 N ATOM 304 CA GLY A 23 10.986 4.922 -13.460 1.00 0.00 C ATOM 305 C GLY A 23 10.879 5.881 -12.298 1.00 0.00 C ATOM 306 O GLY A 23 11.864 6.153 -11.610 1.00 0.00 O ATOM 0 H GLY A 23 9.147 3.940 -13.525 1.00 0.00 H new ATOM 0 HA2 GLY A 23 11.449 3.994 -13.125 1.00 0.00 H new ATOM 0 HA3 GLY A 23 11.638 5.346 -14.224 1.00 0.00 H new ATOM 310 N SER A 24 9.676 6.385 -12.068 1.00 0.00 N ATOM 311 CA SER A 24 9.462 7.387 -11.043 1.00 0.00 C ATOM 312 C SER A 24 8.506 6.897 -9.956 1.00 0.00 C ATOM 313 O SER A 24 8.462 7.481 -8.877 1.00 0.00 O ATOM 314 CB SER A 24 8.926 8.675 -11.677 1.00 0.00 C ATOM 315 OG SER A 24 8.880 9.737 -10.734 1.00 0.00 O ATOM 0 H SER A 24 8.835 6.115 -12.579 1.00 0.00 H new ATOM 0 HA SER A 24 10.422 7.586 -10.568 1.00 0.00 H new ATOM 0 HB2 SER A 24 9.559 8.960 -12.517 1.00 0.00 H new ATOM 0 HB3 SER A 24 7.927 8.498 -12.076 1.00 0.00 H new ATOM 0 HG SER A 24 8.652 9.380 -9.850 1.00 0.00 H new ATOM 321 N PHE A 25 7.751 5.830 -10.228 1.00 0.00 N ATOM 322 CA PHE A 25 6.754 5.341 -9.272 1.00 0.00 C ATOM 323 C PHE A 25 7.376 5.014 -7.924 1.00 0.00 C ATOM 324 O PHE A 25 8.291 4.191 -7.830 1.00 0.00 O ATOM 325 CB PHE A 25 6.019 4.114 -9.812 1.00 0.00 C ATOM 326 CG PHE A 25 4.890 4.459 -10.740 1.00 0.00 C ATOM 327 CD1 PHE A 25 3.628 4.732 -10.240 1.00 0.00 C ATOM 328 CD2 PHE A 25 5.090 4.514 -12.108 1.00 0.00 C ATOM 329 CE1 PHE A 25 2.586 5.054 -11.088 1.00 0.00 C ATOM 330 CE2 PHE A 25 4.053 4.835 -12.961 1.00 0.00 C ATOM 331 CZ PHE A 25 2.798 5.105 -12.451 1.00 0.00 C ATOM 0 H PHE A 25 7.809 5.293 -11.093 1.00 0.00 H new ATOM 0 HA PHE A 25 6.035 6.148 -9.132 1.00 0.00 H new ATOM 0 HB2 PHE A 25 6.729 3.475 -10.337 1.00 0.00 H new ATOM 0 HB3 PHE A 25 5.628 3.535 -8.975 1.00 0.00 H new ATOM 0 HD1 PHE A 25 3.456 4.693 -9.174 1.00 0.00 H new ATOM 0 HD2 PHE A 25 6.069 4.303 -12.513 1.00 0.00 H new ATOM 0 HE1 PHE A 25 1.607 5.266 -10.685 1.00 0.00 H new ATOM 0 HE2 PHE A 25 4.223 4.875 -14.027 1.00 0.00 H new ATOM 0 HZ PHE A 25 1.985 5.355 -13.117 1.00 0.00 H new ATOM 341 N ASP A 26 6.883 5.674 -6.887 1.00 0.00 N ATOM 342 CA ASP A 26 7.360 5.449 -5.533 1.00 0.00 C ATOM 343 C ASP A 26 6.344 4.656 -4.725 1.00 0.00 C ATOM 344 O ASP A 26 5.424 5.226 -4.141 1.00 0.00 O ATOM 345 CB ASP A 26 7.636 6.780 -4.833 1.00 0.00 C ATOM 346 CG ASP A 26 8.905 7.456 -5.307 1.00 0.00 C ATOM 347 OD1 ASP A 26 10.001 7.004 -4.916 1.00 0.00 O ATOM 348 OD2 ASP A 26 8.814 8.446 -6.060 1.00 0.00 O ATOM 0 H ASP A 26 6.146 6.376 -6.960 1.00 0.00 H new ATOM 0 HA ASP A 26 8.286 4.877 -5.598 1.00 0.00 H new ATOM 0 HB2 ASP A 26 6.793 7.451 -4.998 1.00 0.00 H new ATOM 0 HB3 ASP A 26 7.703 6.610 -3.758 1.00 0.00 H new ATOM 353 N HIS A 27 6.513 3.335 -4.697 1.00 0.00 N ATOM 354 CA HIS A 27 5.611 2.458 -3.945 1.00 0.00 C ATOM 355 C HIS A 27 5.640 2.797 -2.462 1.00 0.00 C ATOM 356 O HIS A 27 4.623 2.754 -1.765 1.00 0.00 O ATOM 357 CB HIS A 27 5.981 0.975 -4.160 1.00 0.00 C ATOM 358 CG HIS A 27 7.186 0.487 -3.400 1.00 0.00 C ATOM 359 ND1 HIS A 27 8.469 0.549 -3.898 1.00 0.00 N ATOM 360 CD2 HIS A 27 7.289 -0.088 -2.177 1.00 0.00 C ATOM 361 CE1 HIS A 27 9.307 0.032 -3.020 1.00 0.00 C ATOM 362 NE2 HIS A 27 8.618 -0.360 -1.968 1.00 0.00 N ATOM 0 H HIS A 27 7.264 2.847 -5.185 1.00 0.00 H new ATOM 0 HA HIS A 27 4.600 2.620 -4.318 1.00 0.00 H new ATOM 0 HB2 HIS A 27 5.125 0.361 -3.880 1.00 0.00 H new ATOM 0 HB3 HIS A 27 6.155 0.813 -5.224 1.00 0.00 H new ATOM 0 HD2 HIS A 27 6.477 -0.294 -1.495 1.00 0.00 H new ATOM 0 HE1 HIS A 27 10.376 -0.055 -3.143 1.00 0.00 H new ATOM 0 HE2 HIS A 27 9.009 -0.796 -1.133 1.00 0.00 H new ATOM 371 N LYS A 28 6.815 3.155 -2.007 1.00 0.00 N ATOM 372 CA LYS A 28 7.053 3.421 -0.611 1.00 0.00 C ATOM 373 C LYS A 28 6.486 4.774 -0.237 1.00 0.00 C ATOM 374 O LYS A 28 5.751 4.895 0.740 1.00 0.00 O ATOM 375 CB LYS A 28 8.548 3.382 -0.380 1.00 0.00 C ATOM 376 CG LYS A 28 8.970 3.460 1.078 1.00 0.00 C ATOM 377 CD LYS A 28 10.469 3.272 1.228 1.00 0.00 C ATOM 378 CE LYS A 28 10.902 3.366 2.682 1.00 0.00 C ATOM 379 NZ LYS A 28 12.349 3.078 2.850 1.00 0.00 N ATOM 0 H LYS A 28 7.638 3.271 -2.599 1.00 0.00 H new ATOM 0 HA LYS A 28 6.562 2.673 0.012 1.00 0.00 H new ATOM 0 HB2 LYS A 28 8.944 2.462 -0.809 1.00 0.00 H new ATOM 0 HB3 LYS A 28 9.007 4.209 -0.921 1.00 0.00 H new ATOM 0 HG2 LYS A 28 8.679 4.425 1.492 1.00 0.00 H new ATOM 0 HG3 LYS A 28 8.446 2.696 1.652 1.00 0.00 H new ATOM 0 HD2 LYS A 28 10.757 2.301 0.824 1.00 0.00 H new ATOM 0 HD3 LYS A 28 10.992 4.028 0.643 1.00 0.00 H new ATOM 0 HE2 LYS A 28 10.684 4.364 3.061 1.00 0.00 H new ATOM 0 HE3 LYS A 28 10.321 2.664 3.280 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 12.603 3.153 3.856 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 12.553 2.116 2.512 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 12.905 3.763 2.300 1.00 0.00 H new ATOM 393 N ALA A 29 6.820 5.786 -1.034 1.00 0.00 N ATOM 394 CA ALA A 29 6.280 7.120 -0.831 1.00 0.00 C ATOM 395 C ALA A 29 4.762 7.079 -0.842 1.00 0.00 C ATOM 396 O ALA A 29 4.114 7.810 -0.107 1.00 0.00 O ATOM 397 CB ALA A 29 6.790 8.085 -1.887 1.00 0.00 C ATOM 0 H ALA A 29 7.461 5.704 -1.823 1.00 0.00 H new ATOM 0 HA ALA A 29 6.618 7.477 0.142 1.00 0.00 H new ATOM 0 HB1 ALA A 29 6.369 9.075 -1.709 1.00 0.00 H new ATOM 0 HB2 ALA A 29 7.877 8.139 -1.836 1.00 0.00 H new ATOM 0 HB3 ALA A 29 6.490 7.735 -2.875 1.00 0.00 H new ATOM 403 N PHE A 30 4.203 6.201 -1.665 1.00 0.00 N ATOM 404 CA PHE A 30 2.761 6.028 -1.729 1.00 0.00 C ATOM 405 C PHE A 30 2.190 5.663 -0.359 1.00 0.00 C ATOM 406 O PHE A 30 1.376 6.404 0.184 1.00 0.00 O ATOM 407 CB PHE A 30 2.391 4.954 -2.759 1.00 0.00 C ATOM 408 CG PHE A 30 0.913 4.680 -2.841 1.00 0.00 C ATOM 409 CD1 PHE A 30 0.065 5.568 -3.481 1.00 0.00 C ATOM 410 CD2 PHE A 30 0.373 3.537 -2.269 1.00 0.00 C ATOM 411 CE1 PHE A 30 -1.293 5.322 -3.551 1.00 0.00 C ATOM 412 CE2 PHE A 30 -0.985 3.287 -2.335 1.00 0.00 C ATOM 413 CZ PHE A 30 -1.818 4.181 -2.977 1.00 0.00 C ATOM 0 H PHE A 30 4.729 5.598 -2.298 1.00 0.00 H new ATOM 0 HA PHE A 30 2.325 6.977 -2.040 1.00 0.00 H new ATOM 0 HB2 PHE A 30 2.749 5.265 -3.740 1.00 0.00 H new ATOM 0 HB3 PHE A 30 2.910 4.029 -2.509 1.00 0.00 H new ATOM 0 HD1 PHE A 30 0.469 6.463 -3.930 1.00 0.00 H new ATOM 0 HD2 PHE A 30 1.021 2.834 -1.766 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -1.944 6.022 -4.054 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -1.393 2.394 -1.885 1.00 0.00 H new ATOM 0 HZ PHE A 30 -2.879 3.988 -3.030 1.00 0.00 H new ATOM 423 N PHE A 31 2.642 4.545 0.216 1.00 0.00 N ATOM 424 CA PHE A 31 2.067 4.056 1.473 1.00 0.00 C ATOM 425 C PHE A 31 2.230 5.072 2.588 1.00 0.00 C ATOM 426 O PHE A 31 1.338 5.265 3.412 1.00 0.00 O ATOM 427 CB PHE A 31 2.659 2.679 1.874 1.00 0.00 C ATOM 428 CG PHE A 31 4.033 2.640 2.506 1.00 0.00 C ATOM 429 CD1 PHE A 31 4.283 3.200 3.747 1.00 0.00 C ATOM 430 CD2 PHE A 31 5.064 1.975 1.864 1.00 0.00 C ATOM 431 CE1 PHE A 31 5.532 3.110 4.329 1.00 0.00 C ATOM 432 CE2 PHE A 31 6.316 1.885 2.438 1.00 0.00 C ATOM 433 CZ PHE A 31 6.552 2.453 3.672 1.00 0.00 C ATOM 0 H PHE A 31 3.394 3.968 -0.162 1.00 0.00 H new ATOM 0 HA PHE A 31 0.999 3.916 1.308 1.00 0.00 H new ATOM 0 HB2 PHE A 31 1.962 2.208 2.567 1.00 0.00 H new ATOM 0 HB3 PHE A 31 2.688 2.057 0.979 1.00 0.00 H new ATOM 0 HD1 PHE A 31 3.489 3.715 4.268 1.00 0.00 H new ATOM 0 HD2 PHE A 31 4.886 1.520 0.901 1.00 0.00 H new ATOM 0 HE1 PHE A 31 5.710 3.553 5.297 1.00 0.00 H new ATOM 0 HE2 PHE A 31 7.111 1.369 1.920 1.00 0.00 H new ATOM 0 HZ PHE A 31 7.531 2.384 4.122 1.00 0.00 H new ATOM 443 N THR A 32 3.356 5.734 2.582 1.00 0.00 N ATOM 444 CA THR A 32 3.757 6.566 3.688 1.00 0.00 C ATOM 445 C THR A 32 3.211 7.993 3.579 1.00 0.00 C ATOM 446 O THR A 32 2.968 8.650 4.589 1.00 0.00 O ATOM 447 CB THR A 32 5.283 6.529 3.781 1.00 0.00 C ATOM 448 OG1 THR A 32 5.737 7.102 5.013 1.00 0.00 O ATOM 449 CG2 THR A 32 5.906 7.254 2.603 1.00 0.00 C ATOM 0 H THR A 32 4.023 5.713 1.810 1.00 0.00 H new ATOM 0 HA THR A 32 3.327 6.175 4.610 1.00 0.00 H new ATOM 0 HB THR A 32 5.596 5.485 3.755 1.00 0.00 H new ATOM 0 HG1 THR A 32 6.716 7.065 5.050 1.00 0.00 H new ATOM 0 HG21 THR A 32 6.992 7.217 2.686 1.00 0.00 H new ATOM 0 HG22 THR A 32 5.597 6.773 1.675 1.00 0.00 H new ATOM 0 HG23 THR A 32 5.577 8.293 2.600 1.00 0.00 H new ATOM 457 N LYS A 33 3.007 8.456 2.357 1.00 0.00 N ATOM 458 CA LYS A 33 2.428 9.772 2.111 1.00 0.00 C ATOM 459 C LYS A 33 0.919 9.695 2.242 1.00 0.00 C ATOM 460 O LYS A 33 0.250 10.657 2.629 1.00 0.00 O ATOM 461 CB LYS A 33 2.817 10.226 0.711 1.00 0.00 C ATOM 462 CG LYS A 33 2.289 11.592 0.313 1.00 0.00 C ATOM 463 CD LYS A 33 2.597 11.892 -1.145 1.00 0.00 C ATOM 464 CE LYS A 33 4.093 12.023 -1.389 1.00 0.00 C ATOM 465 NZ LYS A 33 4.397 12.351 -2.805 1.00 0.00 N ATOM 0 H LYS A 33 3.236 7.936 1.510 1.00 0.00 H new ATOM 0 HA LYS A 33 2.804 10.490 2.840 1.00 0.00 H new ATOM 0 HB2 LYS A 33 3.904 10.237 0.637 1.00 0.00 H new ATOM 0 HB3 LYS A 33 2.457 9.490 -0.007 1.00 0.00 H new ATOM 0 HG2 LYS A 33 1.212 11.631 0.476 1.00 0.00 H new ATOM 0 HG3 LYS A 33 2.736 12.357 0.948 1.00 0.00 H new ATOM 0 HD2 LYS A 33 2.194 11.097 -1.773 1.00 0.00 H new ATOM 0 HD3 LYS A 33 2.098 12.815 -1.440 1.00 0.00 H new ATOM 0 HE2 LYS A 33 4.500 12.800 -0.741 1.00 0.00 H new ATOM 0 HE3 LYS A 33 4.588 11.090 -1.118 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 5.426 12.432 -2.929 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 4.032 11.598 -3.422 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 3.946 13.254 -3.057 1.00 0.00 H new ATOM 479 N VAL A 34 0.409 8.527 1.918 1.00 0.00 N ATOM 480 CA VAL A 34 -1.008 8.247 1.974 1.00 0.00 C ATOM 481 C VAL A 34 -1.466 7.985 3.412 1.00 0.00 C ATOM 482 O VAL A 34 -2.561 8.390 3.812 1.00 0.00 O ATOM 483 CB VAL A 34 -1.309 7.034 1.066 1.00 0.00 C ATOM 484 CG1 VAL A 34 -2.256 6.049 1.718 1.00 0.00 C ATOM 485 CG2 VAL A 34 -1.841 7.499 -0.275 1.00 0.00 C ATOM 0 H VAL A 34 0.973 7.737 1.605 1.00 0.00 H new ATOM 0 HA VAL A 34 -1.562 9.116 1.618 1.00 0.00 H new ATOM 0 HB VAL A 34 -0.370 6.504 0.905 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -2.436 5.215 1.040 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -1.814 5.677 2.642 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -3.200 6.545 1.941 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -2.049 6.633 -0.904 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -2.759 8.067 -0.125 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -1.098 8.131 -0.762 1.00 0.00 H new ATOM 495 N GLY A 35 -0.603 7.346 4.192 1.00 0.00 N ATOM 496 CA GLY A 35 -0.953 6.996 5.556 1.00 0.00 C ATOM 497 C GLY A 35 -1.352 5.542 5.674 1.00 0.00 C ATOM 498 O GLY A 35 -1.935 5.124 6.675 1.00 0.00 O ATOM 0 H GLY A 35 0.334 7.064 3.904 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -0.106 7.196 6.212 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -1.774 7.628 5.895 1.00 0.00 H new ATOM 502 N LEU A 36 -1.013 4.763 4.655 1.00 0.00 N ATOM 503 CA LEU A 36 -1.413 3.366 4.584 1.00 0.00 C ATOM 504 C LEU A 36 -0.591 2.528 5.559 1.00 0.00 C ATOM 505 O LEU A 36 -0.946 1.398 5.880 1.00 0.00 O ATOM 506 CB LEU A 36 -1.237 2.837 3.156 1.00 0.00 C ATOM 507 CG LEU A 36 -2.097 1.621 2.797 1.00 0.00 C ATOM 508 CD1 LEU A 36 -3.559 2.020 2.677 1.00 0.00 C ATOM 509 CD2 LEU A 36 -1.618 0.984 1.503 1.00 0.00 C ATOM 0 H LEU A 36 -0.457 5.080 3.861 1.00 0.00 H new ATOM 0 HA LEU A 36 -2.465 3.291 4.860 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -1.466 3.642 2.457 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -0.189 2.576 3.010 1.00 0.00 H new ATOM 0 HG LEU A 36 -1.999 0.888 3.598 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -4.155 1.144 2.422 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -3.904 2.429 3.627 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -3.668 2.773 1.897 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -2.243 0.123 1.268 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -1.683 1.711 0.694 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -0.583 0.661 1.618 1.00 0.00 H new ATOM 521 N ALA A 37 0.504 3.100 6.044 1.00 0.00 N ATOM 522 CA ALA A 37 1.395 2.397 6.958 1.00 0.00 C ATOM 523 C ALA A 37 0.815 2.333 8.367 1.00 0.00 C ATOM 524 O ALA A 37 1.374 1.686 9.252 1.00 0.00 O ATOM 525 CB ALA A 37 2.763 3.058 6.964 1.00 0.00 C ATOM 0 H ALA A 37 0.797 4.051 5.819 1.00 0.00 H new ATOM 0 HA ALA A 37 1.502 1.371 6.606 1.00 0.00 H new ATOM 0 HB1 ALA A 37 3.421 2.525 7.650 1.00 0.00 H new ATOM 0 HB2 ALA A 37 3.185 3.029 5.960 1.00 0.00 H new ATOM 0 HB3 ALA A 37 2.665 4.095 7.287 1.00 0.00 H new ATOM 531 N ALA A 38 -0.313 2.999 8.567 1.00 0.00 N ATOM 532 CA ALA A 38 -0.981 2.999 9.859 1.00 0.00 C ATOM 533 C ALA A 38 -2.377 2.392 9.749 1.00 0.00 C ATOM 534 O ALA A 38 -3.286 2.753 10.497 1.00 0.00 O ATOM 535 CB ALA A 38 -1.054 4.414 10.414 1.00 0.00 C ATOM 0 H ALA A 38 -0.785 3.548 7.848 1.00 0.00 H new ATOM 0 HA ALA A 38 -0.400 2.385 10.547 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -1.556 4.400 11.381 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -0.046 4.810 10.534 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -1.612 5.047 9.724 1.00 0.00 H new ATOM 541 N LYS A 39 -2.549 1.474 8.807 1.00 0.00 N ATOM 542 CA LYS A 39 -3.832 0.805 8.618 1.00 0.00 C ATOM 543 C LYS A 39 -3.957 -0.370 9.577 1.00 0.00 C ATOM 544 O LYS A 39 -3.015 -1.143 9.757 1.00 0.00 O ATOM 545 CB LYS A 39 -3.977 0.303 7.179 1.00 0.00 C ATOM 546 CG LYS A 39 -3.890 1.380 6.099 1.00 0.00 C ATOM 547 CD LYS A 39 -5.049 2.368 6.136 1.00 0.00 C ATOM 548 CE LYS A 39 -4.774 3.553 7.049 1.00 0.00 C ATOM 549 NZ LYS A 39 -5.924 4.491 7.093 1.00 0.00 N ATOM 0 H LYS A 39 -1.818 1.175 8.162 1.00 0.00 H new ATOM 0 HA LYS A 39 -4.623 1.527 8.821 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -3.202 -0.440 6.991 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -4.936 -0.206 7.084 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -2.953 1.925 6.215 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -3.861 0.901 5.120 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -5.247 2.729 5.127 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -5.949 1.855 6.473 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -4.558 3.194 8.055 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -3.886 4.082 6.702 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -5.598 5.425 7.412 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -6.340 4.575 6.143 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -6.641 4.130 7.754 1.00 0.00 H new ATOM 563 N SER A 40 -5.120 -0.492 10.198 1.00 0.00 N ATOM 564 CA SER A 40 -5.392 -1.594 11.108 1.00 0.00 C ATOM 565 C SER A 40 -5.520 -2.903 10.326 1.00 0.00 C ATOM 566 O SER A 40 -5.805 -2.871 9.133 1.00 0.00 O ATOM 567 CB SER A 40 -6.674 -1.306 11.886 1.00 0.00 C ATOM 568 OG SER A 40 -6.618 -0.025 12.497 1.00 0.00 O ATOM 0 H SER A 40 -5.895 0.162 10.087 1.00 0.00 H new ATOM 0 HA SER A 40 -4.566 -1.696 11.812 1.00 0.00 H new ATOM 0 HB2 SER A 40 -7.531 -1.356 11.214 1.00 0.00 H new ATOM 0 HB3 SER A 40 -6.821 -2.071 12.648 1.00 0.00 H new ATOM 0 HG SER A 40 -7.450 0.140 12.989 1.00 0.00 H new ATOM 574 N PRO A 41 -5.293 -4.061 10.973 1.00 0.00 N ATOM 575 CA PRO A 41 -5.340 -5.376 10.310 1.00 0.00 C ATOM 576 C PRO A 41 -6.551 -5.561 9.391 1.00 0.00 C ATOM 577 O PRO A 41 -6.395 -5.882 8.212 1.00 0.00 O ATOM 578 CB PRO A 41 -5.406 -6.346 11.485 1.00 0.00 C ATOM 579 CG PRO A 41 -4.664 -5.655 12.573 1.00 0.00 C ATOM 580 CD PRO A 41 -4.943 -4.185 12.402 1.00 0.00 C ATOM 0 HA PRO A 41 -4.485 -5.521 9.649 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -6.437 -6.551 11.774 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -4.948 -7.303 11.237 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -4.994 -6.003 13.552 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -3.595 -5.859 12.506 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -5.759 -3.855 13.045 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -4.073 -3.580 12.655 1.00 0.00 H new ATOM 588 N ALA A 42 -7.749 -5.343 9.923 1.00 0.00 N ATOM 589 CA ALA A 42 -8.973 -5.519 9.146 1.00 0.00 C ATOM 590 C ALA A 42 -9.099 -4.452 8.066 1.00 0.00 C ATOM 591 O ALA A 42 -9.729 -4.663 7.028 1.00 0.00 O ATOM 592 CB ALA A 42 -10.189 -5.490 10.056 1.00 0.00 C ATOM 0 H ALA A 42 -7.900 -5.045 10.887 1.00 0.00 H new ATOM 0 HA ALA A 42 -8.921 -6.492 8.657 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -11.092 -5.623 9.461 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -10.115 -6.295 10.788 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -10.233 -4.532 10.574 1.00 0.00 H new ATOM 598 N ASP A 43 -8.487 -3.308 8.310 1.00 0.00 N ATOM 599 CA ASP A 43 -8.495 -2.225 7.344 1.00 0.00 C ATOM 600 C ASP A 43 -7.540 -2.554 6.201 1.00 0.00 C ATOM 601 O ASP A 43 -7.817 -2.277 5.041 1.00 0.00 O ATOM 602 CB ASP A 43 -8.112 -0.912 8.025 1.00 0.00 C ATOM 603 CG ASP A 43 -8.359 0.289 7.150 1.00 0.00 C ATOM 604 OD1 ASP A 43 -9.414 0.332 6.481 1.00 0.00 O ATOM 605 OD2 ASP A 43 -7.515 1.203 7.157 1.00 0.00 O ATOM 0 H ASP A 43 -7.978 -3.105 9.170 1.00 0.00 H new ATOM 0 HA ASP A 43 -9.498 -2.108 6.933 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -8.681 -0.807 8.949 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -7.058 -0.945 8.302 1.00 0.00 H new ATOM 610 N ILE A 44 -6.425 -3.184 6.537 1.00 0.00 N ATOM 611 CA ILE A 44 -5.519 -3.731 5.536 1.00 0.00 C ATOM 612 C ILE A 44 -6.198 -4.889 4.795 1.00 0.00 C ATOM 613 O ILE A 44 -5.873 -5.187 3.647 1.00 0.00 O ATOM 614 CB ILE A 44 -4.182 -4.191 6.185 1.00 0.00 C ATOM 615 CG1 ILE A 44 -3.230 -3.004 6.362 1.00 0.00 C ATOM 616 CG2 ILE A 44 -3.503 -5.301 5.388 1.00 0.00 C ATOM 617 CD1 ILE A 44 -2.901 -2.277 5.075 1.00 0.00 C ATOM 0 H ILE A 44 -6.124 -3.330 7.500 1.00 0.00 H new ATOM 0 HA ILE A 44 -5.281 -2.948 4.816 1.00 0.00 H new ATOM 0 HB ILE A 44 -4.428 -4.599 7.165 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -3.675 -2.297 7.062 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -2.303 -3.359 6.813 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -2.574 -5.587 5.881 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -4.165 -6.165 5.331 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -3.284 -4.945 4.381 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -2.222 -1.451 5.287 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -2.426 -2.968 4.378 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -3.818 -1.889 4.632 1.00 0.00 H new ATOM 629 N LYS A 45 -7.177 -5.512 5.443 1.00 0.00 N ATOM 630 CA LYS A 45 -7.931 -6.595 4.822 1.00 0.00 C ATOM 631 C LYS A 45 -8.822 -6.058 3.697 1.00 0.00 C ATOM 632 O LYS A 45 -8.997 -6.709 2.669 1.00 0.00 O ATOM 633 CB LYS A 45 -8.766 -7.348 5.867 1.00 0.00 C ATOM 634 CG LYS A 45 -9.505 -8.562 5.315 1.00 0.00 C ATOM 635 CD LYS A 45 -8.550 -9.594 4.726 1.00 0.00 C ATOM 636 CE LYS A 45 -7.663 -10.229 5.788 1.00 0.00 C ATOM 637 NZ LYS A 45 -8.444 -11.055 6.744 1.00 0.00 N ATOM 0 H LYS A 45 -7.466 -5.286 6.395 1.00 0.00 H new ATOM 0 HA LYS A 45 -7.221 -7.298 4.387 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -8.111 -7.672 6.676 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -9.492 -6.660 6.301 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -10.090 -9.023 6.111 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -10.209 -8.240 4.547 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -9.124 -10.372 4.222 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -7.925 -9.118 3.970 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -6.908 -10.849 5.306 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -7.133 -9.447 6.333 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -7.793 -11.602 7.343 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -9.027 -10.436 7.342 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -9.060 -11.707 6.217 1.00 0.00 H new ATOM 651 N LYS A 46 -9.378 -4.864 3.866 1.00 0.00 N ATOM 652 CA LYS A 46 -10.118 -4.256 2.767 1.00 0.00 C ATOM 653 C LYS A 46 -9.136 -3.736 1.721 1.00 0.00 C ATOM 654 O LYS A 46 -9.481 -3.564 0.550 1.00 0.00 O ATOM 655 CB LYS A 46 -11.097 -3.164 3.249 1.00 0.00 C ATOM 656 CG LYS A 46 -10.475 -1.930 3.897 1.00 0.00 C ATOM 657 CD LYS A 46 -9.806 -0.982 2.898 1.00 0.00 C ATOM 658 CE LYS A 46 -10.799 -0.294 1.963 1.00 0.00 C ATOM 659 NZ LYS A 46 -11.326 -1.199 0.902 1.00 0.00 N ATOM 0 H LYS A 46 -9.334 -4.313 4.723 1.00 0.00 H new ATOM 0 HA LYS A 46 -10.744 -5.020 2.306 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -11.692 -2.838 2.396 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -11.786 -3.614 3.964 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -11.249 -1.386 4.439 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -9.736 -2.250 4.632 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -9.247 -0.223 3.446 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -9.085 -1.542 2.303 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -11.633 0.093 2.549 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -10.314 0.562 1.494 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -11.328 -0.700 -0.010 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -10.722 -2.043 0.834 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -12.296 -1.487 1.142 1.00 0.00 H new ATOM 673 N VAL A 47 -7.903 -3.493 2.151 1.00 0.00 N ATOM 674 CA VAL A 47 -6.830 -3.162 1.229 1.00 0.00 C ATOM 675 C VAL A 47 -6.491 -4.390 0.390 1.00 0.00 C ATOM 676 O VAL A 47 -6.144 -4.272 -0.778 1.00 0.00 O ATOM 677 CB VAL A 47 -5.571 -2.642 1.960 1.00 0.00 C ATOM 678 CG1 VAL A 47 -4.439 -2.379 0.980 1.00 0.00 C ATOM 679 CG2 VAL A 47 -5.895 -1.374 2.735 1.00 0.00 C ATOM 0 H VAL A 47 -7.625 -3.520 3.132 1.00 0.00 H new ATOM 0 HA VAL A 47 -7.175 -2.355 0.583 1.00 0.00 H new ATOM 0 HB VAL A 47 -5.246 -3.413 2.659 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -3.566 -2.014 1.522 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -4.184 -3.303 0.462 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -4.754 -1.630 0.253 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -4.999 -1.020 3.244 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -6.248 -0.607 2.046 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -6.671 -1.586 3.471 1.00 0.00 H new ATOM 689 N PHE A 48 -6.612 -5.571 0.999 1.00 0.00 N ATOM 690 CA PHE A 48 -6.552 -6.833 0.260 1.00 0.00 C ATOM 691 C PHE A 48 -7.521 -6.794 -0.909 1.00 0.00 C ATOM 692 O PHE A 48 -7.154 -7.100 -2.042 1.00 0.00 O ATOM 693 CB PHE A 48 -6.876 -8.018 1.188 1.00 0.00 C ATOM 694 CG PHE A 48 -7.739 -9.099 0.570 1.00 0.00 C ATOM 695 CD1 PHE A 48 -7.281 -9.870 -0.490 1.00 0.00 C ATOM 696 CD2 PHE A 48 -9.013 -9.340 1.058 1.00 0.00 C ATOM 697 CE1 PHE A 48 -8.074 -10.854 -1.045 1.00 0.00 C ATOM 698 CE2 PHE A 48 -9.809 -10.322 0.506 1.00 0.00 C ATOM 699 CZ PHE A 48 -9.340 -11.079 -0.548 1.00 0.00 C ATOM 0 H PHE A 48 -6.752 -5.680 2.003 1.00 0.00 H new ATOM 0 HA PHE A 48 -5.541 -6.967 -0.124 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -5.940 -8.467 1.519 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -7.379 -7.637 2.077 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -6.291 -9.697 -0.886 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -9.388 -8.751 1.882 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -7.703 -11.447 -1.868 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -10.799 -10.498 0.899 1.00 0.00 H new ATOM 0 HZ PHE A 48 -9.963 -11.846 -0.983 1.00 0.00 H new ATOM 709 N GLU A 49 -8.754 -6.398 -0.620 1.00 0.00 N ATOM 710 CA GLU A 49 -9.784 -6.289 -1.645 1.00 0.00 C ATOM 711 C GLU A 49 -9.387 -5.256 -2.701 1.00 0.00 C ATOM 712 O GLU A 49 -9.893 -5.271 -3.819 1.00 0.00 O ATOM 713 CB GLU A 49 -11.119 -5.914 -0.997 1.00 0.00 C ATOM 714 CG GLU A 49 -11.493 -6.833 0.155 1.00 0.00 C ATOM 715 CD GLU A 49 -12.826 -6.488 0.780 1.00 0.00 C ATOM 716 OE1 GLU A 49 -12.880 -5.551 1.604 1.00 0.00 O ATOM 717 OE2 GLU A 49 -13.821 -7.161 0.462 1.00 0.00 O ATOM 0 H GLU A 49 -9.066 -6.146 0.318 1.00 0.00 H new ATOM 0 HA GLU A 49 -9.891 -7.253 -2.143 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -11.066 -4.887 -0.634 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -11.905 -5.946 -1.751 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -11.522 -7.862 -0.204 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -10.717 -6.783 0.918 1.00 0.00 H new ATOM 724 N ILE A 50 -8.482 -4.361 -2.326 1.00 0.00 N ATOM 725 CA ILE A 50 -7.945 -3.373 -3.252 1.00 0.00 C ATOM 726 C ILE A 50 -6.969 -3.997 -4.268 1.00 0.00 C ATOM 727 O ILE A 50 -7.168 -3.841 -5.471 1.00 0.00 O ATOM 728 CB ILE A 50 -7.267 -2.212 -2.494 1.00 0.00 C ATOM 729 CG1 ILE A 50 -8.277 -1.534 -1.565 1.00 0.00 C ATOM 730 CG2 ILE A 50 -6.672 -1.202 -3.459 1.00 0.00 C ATOM 731 CD1 ILE A 50 -7.690 -0.398 -0.760 1.00 0.00 C ATOM 0 H ILE A 50 -8.103 -4.299 -1.381 1.00 0.00 H new ATOM 0 HA ILE A 50 -8.791 -2.975 -3.813 1.00 0.00 H new ATOM 0 HB ILE A 50 -6.453 -2.622 -1.896 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -9.108 -1.155 -2.160 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -8.687 -2.278 -0.882 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -6.201 -0.395 -2.897 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -5.926 -1.692 -4.084 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -7.461 -0.792 -4.089 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -8.463 0.035 -0.125 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -6.878 -0.774 -0.138 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -7.306 0.366 -1.436 1.00 0.00 H new ATOM 743 N ILE A 51 -5.921 -4.713 -3.808 1.00 0.00 N ATOM 744 CA ILE A 51 -4.992 -5.365 -4.752 1.00 0.00 C ATOM 745 C ILE A 51 -5.717 -6.485 -5.479 1.00 0.00 C ATOM 746 O ILE A 51 -5.425 -6.787 -6.639 1.00 0.00 O ATOM 747 CB ILE A 51 -3.668 -5.920 -4.112 1.00 0.00 C ATOM 748 CG1 ILE A 51 -3.926 -6.582 -2.737 1.00 0.00 C ATOM 749 CG2 ILE A 51 -2.641 -4.803 -3.999 1.00 0.00 C ATOM 750 CD1 ILE A 51 -3.694 -5.659 -1.555 1.00 0.00 C ATOM 0 H ILE A 51 -5.702 -4.851 -2.821 1.00 0.00 H new ATOM 0 HA ILE A 51 -4.673 -4.581 -5.439 1.00 0.00 H new ATOM 0 HB ILE A 51 -3.274 -6.697 -4.767 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -4.954 -6.944 -2.706 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -3.279 -7.453 -2.637 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -1.726 -5.194 -3.555 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -2.423 -4.408 -4.991 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -3.038 -4.006 -3.370 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -3.896 -6.197 -0.628 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -2.659 -5.317 -1.558 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -4.360 -4.800 -1.628 1.00 0.00 H new ATOM 762 N ASP A 52 -6.683 -7.086 -4.798 1.00 0.00 N ATOM 763 CA ASP A 52 -7.504 -8.114 -5.404 1.00 0.00 C ATOM 764 C ASP A 52 -8.646 -7.461 -6.178 1.00 0.00 C ATOM 765 O ASP A 52 -9.787 -7.484 -5.721 1.00 0.00 O ATOM 766 CB ASP A 52 -8.109 -9.041 -4.342 1.00 0.00 C ATOM 767 CG ASP A 52 -8.507 -10.392 -4.905 1.00 0.00 C ATOM 768 OD1 ASP A 52 -8.234 -10.662 -6.099 1.00 0.00 O ATOM 769 OD2 ASP A 52 -9.097 -11.195 -4.165 1.00 0.00 O ATOM 0 H ASP A 52 -6.914 -6.877 -3.827 1.00 0.00 H new ATOM 0 HA ASP A 52 -6.870 -8.701 -6.069 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -7.388 -9.185 -3.537 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -8.984 -8.562 -3.903 1.00 0.00 H new ATOM 774 N GLN A 53 -8.349 -6.878 -7.339 1.00 0.00 N ATOM 775 CA GLN A 53 -9.364 -6.161 -8.115 1.00 0.00 C ATOM 776 C GLN A 53 -10.556 -7.071 -8.421 1.00 0.00 C ATOM 777 O GLN A 53 -11.712 -6.639 -8.423 1.00 0.00 O ATOM 778 CB GLN A 53 -8.771 -5.620 -9.422 1.00 0.00 C ATOM 779 CG GLN A 53 -9.784 -4.878 -10.278 1.00 0.00 C ATOM 780 CD GLN A 53 -9.179 -4.299 -11.538 1.00 0.00 C ATOM 781 OE1 GLN A 53 -8.207 -4.825 -12.078 1.00 0.00 O ATOM 782 NE2 GLN A 53 -9.762 -3.217 -12.025 1.00 0.00 N ATOM 0 H GLN A 53 -7.421 -6.887 -7.762 1.00 0.00 H new ATOM 0 HA GLN A 53 -9.710 -5.320 -7.514 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -7.943 -4.951 -9.188 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -8.358 -6.449 -9.996 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -10.591 -5.559 -10.548 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -10.228 -4.074 -9.691 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -10.566 -2.812 -11.546 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -9.407 -2.787 -12.879 1.00 0.00 H new ATOM 791 N ASP A 54 -10.253 -8.333 -8.673 1.00 0.00 N ATOM 792 CA ASP A 54 -11.280 -9.339 -8.962 1.00 0.00 C ATOM 793 C ASP A 54 -11.905 -9.896 -7.685 1.00 0.00 C ATOM 794 O ASP A 54 -12.999 -10.462 -7.736 1.00 0.00 O ATOM 795 CB ASP A 54 -10.698 -10.489 -9.786 1.00 0.00 C ATOM 796 CG ASP A 54 -10.319 -10.071 -11.188 1.00 0.00 C ATOM 797 OD1 ASP A 54 -11.222 -9.719 -11.973 1.00 0.00 O ATOM 798 OD2 ASP A 54 -9.123 -10.103 -11.522 1.00 0.00 O ATOM 0 H ASP A 54 -9.299 -8.694 -8.685 1.00 0.00 H new ATOM 0 HA ASP A 54 -12.060 -8.839 -9.537 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -9.818 -10.884 -9.279 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -11.426 -11.298 -9.837 1.00 0.00 H new ATOM 803 N LYS A 55 -11.228 -9.738 -6.548 1.00 0.00 N ATOM 804 CA LYS A 55 -11.812 -10.092 -5.252 1.00 0.00 C ATOM 805 C LYS A 55 -12.213 -11.580 -5.182 1.00 0.00 C ATOM 806 O LYS A 55 -13.396 -11.939 -5.181 1.00 0.00 O ATOM 807 CB LYS A 55 -12.979 -9.139 -4.940 1.00 0.00 C ATOM 808 CG LYS A 55 -13.849 -9.523 -3.748 1.00 0.00 C ATOM 809 CD LYS A 55 -13.102 -9.452 -2.431 1.00 0.00 C ATOM 810 CE LYS A 55 -13.991 -9.910 -1.287 1.00 0.00 C ATOM 811 NZ LYS A 55 -13.330 -9.760 0.033 1.00 0.00 N ATOM 0 H LYS A 55 -10.279 -9.369 -6.496 1.00 0.00 H new ATOM 0 HA LYS A 55 -11.057 -9.966 -4.476 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -12.573 -8.143 -4.763 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -13.615 -9.072 -5.823 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -14.714 -8.861 -3.706 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -14.229 -10.535 -3.892 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -12.210 -10.077 -2.478 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -12.766 -8.431 -2.252 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -14.916 -9.334 -1.295 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -14.264 -10.954 -1.438 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -13.646 -10.520 0.668 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -12.298 -9.816 -0.087 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -13.581 -8.839 0.444 1.00 0.00 H new ATOM 825 N SER A 56 -11.205 -12.446 -5.197 1.00 0.00 N ATOM 826 CA SER A 56 -11.417 -13.883 -5.060 1.00 0.00 C ATOM 827 C SER A 56 -10.309 -14.521 -4.216 1.00 0.00 C ATOM 828 O SER A 56 -10.022 -15.712 -4.352 1.00 0.00 O ATOM 829 CB SER A 56 -11.485 -14.543 -6.437 1.00 0.00 C ATOM 830 OG SER A 56 -10.337 -14.237 -7.206 1.00 0.00 O ATOM 0 H SER A 56 -10.227 -12.176 -5.303 1.00 0.00 H new ATOM 0 HA SER A 56 -12.367 -14.041 -4.549 1.00 0.00 H new ATOM 0 HB2 SER A 56 -11.572 -15.623 -6.322 1.00 0.00 H new ATOM 0 HB3 SER A 56 -12.379 -14.205 -6.962 1.00 0.00 H new ATOM 0 HG SER A 56 -10.404 -14.672 -8.081 1.00 0.00 H new ATOM 836 N ASP A 57 -9.671 -13.696 -3.376 1.00 0.00 N ATOM 837 CA ASP A 57 -8.658 -14.138 -2.400 1.00 0.00 C ATOM 838 C ASP A 57 -7.301 -14.379 -3.069 1.00 0.00 C ATOM 839 O ASP A 57 -6.316 -14.707 -2.409 1.00 0.00 O ATOM 840 CB ASP A 57 -9.120 -15.396 -1.650 1.00 0.00 C ATOM 841 CG ASP A 57 -8.350 -15.641 -0.365 1.00 0.00 C ATOM 842 OD1 ASP A 57 -8.712 -15.036 0.669 1.00 0.00 O ATOM 843 OD2 ASP A 57 -7.411 -16.467 -0.367 1.00 0.00 O ATOM 0 H ASP A 57 -9.843 -12.691 -3.352 1.00 0.00 H new ATOM 0 HA ASP A 57 -8.537 -13.334 -1.675 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -10.181 -15.304 -1.419 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -9.010 -16.262 -2.303 1.00 0.00 H new ATOM 848 N PHE A 58 -7.253 -14.191 -4.378 1.00 0.00 N ATOM 849 CA PHE A 58 -6.012 -14.312 -5.132 1.00 0.00 C ATOM 850 C PHE A 58 -5.721 -13.010 -5.860 1.00 0.00 C ATOM 851 O PHE A 58 -6.531 -12.553 -6.663 1.00 0.00 O ATOM 852 CB PHE A 58 -6.089 -15.465 -6.135 1.00 0.00 C ATOM 853 CG PHE A 58 -6.044 -16.823 -5.499 1.00 0.00 C ATOM 854 CD1 PHE A 58 -4.830 -17.413 -5.191 1.00 0.00 C ATOM 855 CD2 PHE A 58 -7.212 -17.510 -5.210 1.00 0.00 C ATOM 856 CE1 PHE A 58 -4.778 -18.663 -4.607 1.00 0.00 C ATOM 857 CE2 PHE A 58 -7.168 -18.760 -4.626 1.00 0.00 C ATOM 858 CZ PHE A 58 -5.949 -19.337 -4.324 1.00 0.00 C ATOM 0 H PHE A 58 -8.066 -13.952 -4.946 1.00 0.00 H new ATOM 0 HA PHE A 58 -5.205 -14.524 -4.431 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -7.010 -15.373 -6.710 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -5.263 -15.377 -6.841 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -3.912 -16.889 -5.410 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -8.167 -17.063 -5.444 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -3.824 -19.112 -4.372 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -8.085 -19.286 -4.405 1.00 0.00 H new ATOM 0 HZ PHE A 58 -5.913 -20.315 -3.867 1.00 0.00 H new ATOM 868 N VAL A 59 -4.579 -12.412 -5.571 1.00 0.00 N ATOM 869 CA VAL A 59 -4.223 -11.122 -6.138 1.00 0.00 C ATOM 870 C VAL A 59 -3.121 -11.265 -7.190 1.00 0.00 C ATOM 871 O VAL A 59 -1.938 -11.328 -6.858 1.00 0.00 O ATOM 872 CB VAL A 59 -3.752 -10.177 -5.022 1.00 0.00 C ATOM 873 CG1 VAL A 59 -3.355 -8.836 -5.568 1.00 0.00 C ATOM 874 CG2 VAL A 59 -4.820 -10.027 -3.955 1.00 0.00 C ATOM 0 H VAL A 59 -3.877 -12.802 -4.942 1.00 0.00 H new ATOM 0 HA VAL A 59 -5.107 -10.708 -6.623 1.00 0.00 H new ATOM 0 HB VAL A 59 -2.869 -10.623 -4.564 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -3.027 -8.193 -4.751 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -2.540 -8.960 -6.281 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -4.209 -8.380 -6.069 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -4.464 -9.353 -3.176 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -5.726 -9.618 -4.402 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -5.039 -11.002 -3.520 1.00 0.00 H new ATOM 884 N GLU A 60 -3.517 -11.333 -8.456 1.00 0.00 N ATOM 885 CA GLU A 60 -2.567 -11.495 -9.551 1.00 0.00 C ATOM 886 C GLU A 60 -2.141 -10.149 -10.142 1.00 0.00 C ATOM 887 O GLU A 60 -2.659 -9.103 -9.752 1.00 0.00 O ATOM 888 CB GLU A 60 -3.150 -12.396 -10.637 1.00 0.00 C ATOM 889 CG GLU A 60 -3.383 -13.822 -10.170 1.00 0.00 C ATOM 890 CD GLU A 60 -3.935 -14.712 -11.261 1.00 0.00 C ATOM 891 OE1 GLU A 60 -3.155 -15.137 -12.140 1.00 0.00 O ATOM 892 OE2 GLU A 60 -5.148 -14.997 -11.244 1.00 0.00 O ATOM 0 H GLU A 60 -4.492 -11.278 -8.750 1.00 0.00 H new ATOM 0 HA GLU A 60 -1.675 -11.968 -9.141 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -4.094 -11.974 -10.981 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -2.475 -12.406 -11.493 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -2.443 -14.239 -9.808 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -4.075 -13.815 -9.328 1.00 0.00 H new ATOM 899 N GLU A 61 -1.215 -10.182 -11.095 1.00 0.00 N ATOM 900 CA GLU A 61 -0.652 -8.960 -11.664 1.00 0.00 C ATOM 901 C GLU A 61 -1.647 -8.207 -12.541 1.00 0.00 C ATOM 902 O GLU A 61 -1.687 -6.977 -12.507 1.00 0.00 O ATOM 903 CB GLU A 61 0.619 -9.271 -12.454 1.00 0.00 C ATOM 904 CG GLU A 61 1.011 -8.178 -13.439 1.00 0.00 C ATOM 905 CD GLU A 61 2.491 -8.157 -13.723 1.00 0.00 C ATOM 906 OE1 GLU A 61 3.020 -9.163 -14.234 1.00 0.00 O ATOM 907 OE2 GLU A 61 3.137 -7.133 -13.424 1.00 0.00 O ATOM 0 H GLU A 61 -0.837 -11.043 -11.491 1.00 0.00 H new ATOM 0 HA GLU A 61 -0.406 -8.308 -10.826 1.00 0.00 H new ATOM 0 HB2 GLU A 61 1.441 -9.430 -11.755 1.00 0.00 H new ATOM 0 HB3 GLU A 61 0.478 -10.205 -12.998 1.00 0.00 H new ATOM 0 HG2 GLU A 61 0.468 -8.324 -14.373 1.00 0.00 H new ATOM 0 HG3 GLU A 61 0.707 -7.210 -13.041 1.00 0.00 H new ATOM 914 N ASP A 62 -2.445 -8.926 -13.327 1.00 0.00 N ATOM 915 CA ASP A 62 -3.433 -8.273 -14.186 1.00 0.00 C ATOM 916 C ASP A 62 -4.378 -7.445 -13.334 1.00 0.00 C ATOM 917 O ASP A 62 -4.861 -6.392 -13.757 1.00 0.00 O ATOM 918 CB ASP A 62 -4.221 -9.289 -15.023 1.00 0.00 C ATOM 919 CG ASP A 62 -5.008 -10.273 -14.181 1.00 0.00 C ATOM 920 OD1 ASP A 62 -4.382 -11.082 -13.470 1.00 0.00 O ATOM 921 OD2 ASP A 62 -6.256 -10.253 -14.241 1.00 0.00 O ATOM 0 H ASP A 62 -2.430 -9.944 -13.388 1.00 0.00 H new ATOM 0 HA ASP A 62 -2.901 -7.623 -14.881 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -4.906 -8.755 -15.681 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -3.529 -9.839 -15.661 1.00 0.00 H new ATOM 926 N GLU A 63 -4.605 -7.918 -12.117 1.00 0.00 N ATOM 927 CA GLU A 63 -5.362 -7.174 -11.132 1.00 0.00 C ATOM 928 C GLU A 63 -4.581 -5.963 -10.678 1.00 0.00 C ATOM 929 O GLU A 63 -5.052 -4.848 -10.790 1.00 0.00 O ATOM 930 CB GLU A 63 -5.672 -8.052 -9.934 1.00 0.00 C ATOM 931 CG GLU A 63 -6.530 -9.238 -10.288 1.00 0.00 C ATOM 932 CD GLU A 63 -6.925 -10.042 -9.087 1.00 0.00 C ATOM 933 OE1 GLU A 63 -6.200 -10.957 -8.684 1.00 0.00 O ATOM 934 OE2 GLU A 63 -7.988 -9.795 -8.509 1.00 0.00 O ATOM 0 H GLU A 63 -4.270 -8.824 -11.790 1.00 0.00 H new ATOM 0 HA GLU A 63 -6.296 -6.849 -11.590 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -4.738 -8.403 -9.495 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -6.178 -7.457 -9.174 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -7.428 -8.892 -10.801 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -5.990 -9.877 -10.987 1.00 0.00 H new ATOM 941 N LEU A 64 -3.364 -6.194 -10.206 1.00 0.00 N ATOM 942 CA LEU A 64 -2.524 -5.140 -9.669 1.00 0.00 C ATOM 943 C LEU A 64 -2.223 -4.059 -10.689 1.00 0.00 C ATOM 944 O LEU A 64 -1.792 -2.964 -10.339 1.00 0.00 O ATOM 945 CB LEU A 64 -1.240 -5.719 -9.116 1.00 0.00 C ATOM 946 CG LEU A 64 -1.368 -6.204 -7.685 1.00 0.00 C ATOM 947 CD1 LEU A 64 -0.866 -7.626 -7.562 1.00 0.00 C ATOM 948 CD2 LEU A 64 -0.621 -5.267 -6.754 1.00 0.00 C ATOM 0 H LEU A 64 -2.934 -7.119 -10.186 1.00 0.00 H new ATOM 0 HA LEU A 64 -3.082 -4.667 -8.861 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -0.923 -6.549 -9.747 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -0.457 -4.963 -9.167 1.00 0.00 H new ATOM 0 HG LEU A 64 -2.419 -6.201 -7.397 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -0.965 -7.959 -6.529 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -1.453 -8.276 -8.210 1.00 0.00 H new ATOM 0 HD13 LEU A 64 0.182 -7.669 -7.858 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -0.717 -5.621 -5.728 1.00 0.00 H new ATOM 0 HD22 LEU A 64 0.433 -5.241 -7.032 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -1.041 -4.264 -6.833 1.00 0.00 H new ATOM 960 N LYS A 65 -2.407 -4.368 -11.954 1.00 0.00 N ATOM 961 CA LYS A 65 -2.260 -3.365 -12.969 1.00 0.00 C ATOM 962 C LYS A 65 -3.379 -2.336 -12.861 1.00 0.00 C ATOM 963 O LYS A 65 -3.137 -1.133 -12.881 1.00 0.00 O ATOM 964 CB LYS A 65 -2.277 -3.987 -14.361 1.00 0.00 C ATOM 965 CG LYS A 65 -1.410 -3.230 -15.345 1.00 0.00 C ATOM 966 CD LYS A 65 -0.035 -3.862 -15.532 1.00 0.00 C ATOM 967 CE LYS A 65 0.546 -4.468 -14.269 1.00 0.00 C ATOM 968 NZ LYS A 65 1.912 -5.002 -14.524 1.00 0.00 N ATOM 0 H LYS A 65 -2.656 -5.297 -12.295 1.00 0.00 H new ATOM 0 HA LYS A 65 -1.298 -2.875 -12.816 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -1.933 -5.019 -14.298 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -3.302 -4.014 -14.731 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -1.918 -3.184 -16.309 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -1.289 -2.203 -15.000 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -0.104 -4.637 -16.295 1.00 0.00 H new ATOM 0 HD3 LYS A 65 0.653 -3.105 -15.908 1.00 0.00 H new ATOM 0 HE2 LYS A 65 0.585 -3.714 -13.482 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -0.102 -5.268 -13.912 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 2.112 -5.776 -13.859 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 1.968 -5.360 -15.499 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 2.611 -4.244 -14.393 1.00 0.00 H new ATOM 982 N LEU A 66 -4.608 -2.818 -12.776 1.00 0.00 N ATOM 983 CA LEU A 66 -5.772 -1.942 -12.772 1.00 0.00 C ATOM 984 C LEU A 66 -6.374 -1.776 -11.380 1.00 0.00 C ATOM 985 O LEU A 66 -7.341 -1.031 -11.204 1.00 0.00 O ATOM 986 CB LEU A 66 -6.807 -2.470 -13.759 1.00 0.00 C ATOM 987 CG LEU A 66 -6.246 -2.715 -15.159 1.00 0.00 C ATOM 988 CD1 LEU A 66 -7.354 -3.068 -16.138 1.00 0.00 C ATOM 989 CD2 LEU A 66 -5.467 -1.495 -15.624 1.00 0.00 C ATOM 0 H LEU A 66 -4.827 -3.812 -12.709 1.00 0.00 H new ATOM 0 HA LEU A 66 -5.447 -0.949 -13.082 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -7.222 -3.402 -13.374 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -7.630 -1.758 -13.826 1.00 0.00 H new ATOM 0 HG LEU A 66 -5.566 -3.566 -15.120 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -6.926 -3.237 -17.126 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -7.861 -3.973 -15.803 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -8.070 -2.248 -16.188 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -5.070 -1.676 -16.623 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -6.128 -0.629 -15.648 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -4.644 -1.304 -14.935 1.00 0.00 H new ATOM 1001 N PHE A 67 -5.788 -2.448 -10.393 1.00 0.00 N ATOM 1002 CA PHE A 67 -6.321 -2.430 -9.030 1.00 0.00 C ATOM 1003 C PHE A 67 -6.337 -0.994 -8.521 1.00 0.00 C ATOM 1004 O PHE A 67 -7.179 -0.602 -7.717 1.00 0.00 O ATOM 1005 CB PHE A 67 -5.485 -3.325 -8.095 1.00 0.00 C ATOM 1006 CG PHE A 67 -4.394 -2.619 -7.324 1.00 0.00 C ATOM 1007 CD1 PHE A 67 -3.134 -2.445 -7.862 1.00 0.00 C ATOM 1008 CD2 PHE A 67 -4.634 -2.148 -6.046 1.00 0.00 C ATOM 1009 CE1 PHE A 67 -2.135 -1.815 -7.145 1.00 0.00 C ATOM 1010 CE2 PHE A 67 -3.641 -1.512 -5.323 1.00 0.00 C ATOM 1011 CZ PHE A 67 -2.390 -1.347 -5.874 1.00 0.00 C ATOM 0 H PHE A 67 -4.946 -3.011 -10.509 1.00 0.00 H new ATOM 0 HA PHE A 67 -7.337 -2.826 -9.041 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -6.157 -3.805 -7.383 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -5.031 -4.118 -8.689 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -2.926 -2.807 -8.858 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -5.612 -2.279 -5.606 1.00 0.00 H new ATOM 0 HE1 PHE A 67 -1.155 -1.689 -7.580 1.00 0.00 H new ATOM 0 HE2 PHE A 67 -3.847 -1.146 -4.328 1.00 0.00 H new ATOM 0 HZ PHE A 67 -1.611 -0.853 -5.312 1.00 0.00 H new ATOM 1021 N LEU A 68 -5.396 -0.211 -9.034 1.00 0.00 N ATOM 1022 CA LEU A 68 -5.253 1.184 -8.663 1.00 0.00 C ATOM 1023 C LEU A 68 -6.438 1.985 -9.164 1.00 0.00 C ATOM 1024 O LEU A 68 -7.021 2.778 -8.428 1.00 0.00 O ATOM 1025 CB LEU A 68 -3.963 1.744 -9.261 1.00 0.00 C ATOM 1026 CG LEU A 68 -2.767 0.799 -9.193 1.00 0.00 C ATOM 1027 CD1 LEU A 68 -2.239 0.519 -10.590 1.00 0.00 C ATOM 1028 CD2 LEU A 68 -1.673 1.374 -8.306 1.00 0.00 C ATOM 0 H LEU A 68 -4.711 -0.530 -9.720 1.00 0.00 H new ATOM 0 HA LEU A 68 -5.213 1.258 -7.576 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -4.145 2.004 -10.304 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -3.709 2.668 -8.742 1.00 0.00 H new ATOM 0 HG LEU A 68 -3.094 -0.142 -8.752 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -1.386 -0.156 -10.528 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -3.024 0.058 -11.190 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -1.928 1.454 -11.056 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -0.831 0.683 -8.273 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -1.342 2.330 -8.710 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -2.061 1.521 -7.298 1.00 0.00 H new ATOM 1040 N GLN A 69 -6.810 1.745 -10.415 1.00 0.00 N ATOM 1041 CA GLN A 69 -7.915 2.456 -11.036 1.00 0.00 C ATOM 1042 C GLN A 69 -9.240 1.945 -10.484 1.00 0.00 C ATOM 1043 O GLN A 69 -10.302 2.502 -10.760 1.00 0.00 O ATOM 1044 CB GLN A 69 -7.862 2.301 -12.559 1.00 0.00 C ATOM 1045 CG GLN A 69 -6.527 2.718 -13.159 1.00 0.00 C ATOM 1046 CD GLN A 69 -6.542 2.758 -14.673 1.00 0.00 C ATOM 1047 OE1 GLN A 69 -6.829 3.791 -15.279 1.00 0.00 O ATOM 1048 NE2 GLN A 69 -6.228 1.637 -15.297 1.00 0.00 N ATOM 0 H GLN A 69 -6.359 1.059 -11.020 1.00 0.00 H new ATOM 0 HA GLN A 69 -7.829 3.517 -10.801 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -8.061 1.261 -12.819 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -8.656 2.899 -13.006 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -6.256 3.703 -12.778 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -5.754 2.025 -12.828 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -5.996 0.802 -14.759 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -6.217 1.607 -16.316 1.00 0.00 H new ATOM 1057 N ASN A 70 -9.159 0.876 -9.704 1.00 0.00 N ATOM 1058 CA ASN A 70 -10.318 0.346 -8.996 1.00 0.00 C ATOM 1059 C ASN A 70 -10.395 0.979 -7.608 1.00 0.00 C ATOM 1060 O ASN A 70 -11.476 1.205 -7.068 1.00 0.00 O ATOM 1061 CB ASN A 70 -10.211 -1.180 -8.887 1.00 0.00 C ATOM 1062 CG ASN A 70 -11.377 -1.824 -8.155 1.00 0.00 C ATOM 1063 OD1 ASN A 70 -11.204 -2.835 -7.476 1.00 0.00 O ATOM 1064 ND2 ASN A 70 -12.572 -1.269 -8.301 1.00 0.00 N ATOM 0 H ASN A 70 -8.297 0.355 -9.544 1.00 0.00 H new ATOM 0 HA ASN A 70 -11.227 0.588 -9.547 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -10.145 -1.603 -9.889 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -9.285 -1.434 -8.372 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -13.385 -1.681 -7.842 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -12.679 -0.430 -8.872 1.00 0.00 H new ATOM 1071 N PHE A 71 -9.228 1.273 -7.053 1.00 0.00 N ATOM 1072 CA PHE A 71 -9.120 1.915 -5.749 1.00 0.00 C ATOM 1073 C PHE A 71 -9.525 3.388 -5.840 1.00 0.00 C ATOM 1074 O PHE A 71 -10.359 3.863 -5.067 1.00 0.00 O ATOM 1075 CB PHE A 71 -7.682 1.782 -5.235 1.00 0.00 C ATOM 1076 CG PHE A 71 -7.454 2.320 -3.848 1.00 0.00 C ATOM 1077 CD1 PHE A 71 -8.461 2.303 -2.891 1.00 0.00 C ATOM 1078 CD2 PHE A 71 -6.217 2.836 -3.499 1.00 0.00 C ATOM 1079 CE1 PHE A 71 -8.236 2.793 -1.620 1.00 0.00 C ATOM 1080 CE2 PHE A 71 -5.987 3.325 -2.229 1.00 0.00 C ATOM 1081 CZ PHE A 71 -6.997 3.304 -1.289 1.00 0.00 C ATOM 0 H PHE A 71 -8.330 1.074 -7.493 1.00 0.00 H new ATOM 0 HA PHE A 71 -9.797 1.423 -5.050 1.00 0.00 H new ATOM 0 HB2 PHE A 71 -7.401 0.729 -5.251 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -7.015 2.300 -5.924 1.00 0.00 H new ATOM 0 HD1 PHE A 71 -9.431 1.902 -3.144 1.00 0.00 H new ATOM 0 HD2 PHE A 71 -5.422 2.856 -4.230 1.00 0.00 H new ATOM 0 HE1 PHE A 71 -9.028 2.777 -0.886 1.00 0.00 H new ATOM 0 HE2 PHE A 71 -5.017 3.724 -1.971 1.00 0.00 H new ATOM 0 HZ PHE A 71 -6.818 3.687 -0.295 1.00 0.00 H new ATOM 1091 N SER A 72 -8.938 4.105 -6.790 1.00 0.00 N ATOM 1092 CA SER A 72 -9.217 5.525 -6.962 1.00 0.00 C ATOM 1093 C SER A 72 -9.275 5.890 -8.444 1.00 0.00 C ATOM 1094 O SER A 72 -8.624 5.262 -9.280 1.00 0.00 O ATOM 1095 CB SER A 72 -8.145 6.354 -6.253 1.00 0.00 C ATOM 1096 OG SER A 72 -8.118 6.060 -4.867 1.00 0.00 O ATOM 0 H SER A 72 -8.264 3.725 -7.455 1.00 0.00 H new ATOM 0 HA SER A 72 -10.189 5.745 -6.520 1.00 0.00 H new ATOM 0 HB2 SER A 72 -7.169 6.147 -6.692 1.00 0.00 H new ATOM 0 HB3 SER A 72 -8.343 7.416 -6.401 1.00 0.00 H new ATOM 0 HG SER A 72 -7.678 6.791 -4.386 1.00 0.00 H new ATOM 1102 N ALA A 73 -10.063 6.915 -8.758 1.00 0.00 N ATOM 1103 CA ALA A 73 -10.305 7.314 -10.140 1.00 0.00 C ATOM 1104 C ALA A 73 -9.142 8.119 -10.708 1.00 0.00 C ATOM 1105 O ALA A 73 -8.979 8.218 -11.924 1.00 0.00 O ATOM 1106 CB ALA A 73 -11.596 8.113 -10.234 1.00 0.00 C ATOM 0 H ALA A 73 -10.548 7.488 -8.067 1.00 0.00 H new ATOM 0 HA ALA A 73 -10.398 6.407 -10.737 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -11.768 8.406 -11.270 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -12.429 7.501 -9.887 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -11.518 9.005 -9.613 1.00 0.00 H new ATOM 1112 N GLY A 74 -8.340 8.696 -9.827 1.00 0.00 N ATOM 1113 CA GLY A 74 -7.188 9.459 -10.264 1.00 0.00 C ATOM 1114 C GLY A 74 -5.912 8.647 -10.201 1.00 0.00 C ATOM 1115 O GLY A 74 -4.818 9.197 -10.081 1.00 0.00 O ATOM 0 H GLY A 74 -8.466 8.650 -8.816 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -7.348 9.804 -11.286 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -7.084 10.347 -9.640 1.00 0.00 H new ATOM 1119 N ALA A 75 -6.051 7.333 -10.282 1.00 0.00 N ATOM 1120 CA ALA A 75 -4.905 6.446 -10.196 1.00 0.00 C ATOM 1121 C ALA A 75 -4.391 6.068 -11.577 1.00 0.00 C ATOM 1122 O ALA A 75 -5.155 6.004 -12.543 1.00 0.00 O ATOM 1123 CB ALA A 75 -5.260 5.201 -9.410 1.00 0.00 C ATOM 0 H ALA A 75 -6.946 6.859 -10.407 1.00 0.00 H new ATOM 0 HA ALA A 75 -4.109 6.979 -9.676 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -4.391 4.546 -9.354 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -5.568 5.482 -8.403 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -6.077 4.678 -9.907 1.00 0.00 H new ATOM 1129 N ARG A 76 -3.094 5.816 -11.657 1.00 0.00 N ATOM 1130 CA ARG A 76 -2.457 5.445 -12.904 1.00 0.00 C ATOM 1131 C ARG A 76 -2.091 3.966 -12.876 1.00 0.00 C ATOM 1132 O ARG A 76 -1.637 3.462 -11.850 1.00 0.00 O ATOM 1133 CB ARG A 76 -1.191 6.281 -13.122 1.00 0.00 C ATOM 1134 CG ARG A 76 -1.398 7.781 -12.950 1.00 0.00 C ATOM 1135 CD ARG A 76 -2.451 8.323 -13.905 1.00 0.00 C ATOM 1136 NE ARG A 76 -2.091 8.107 -15.304 1.00 0.00 N ATOM 1137 CZ ARG A 76 -2.977 8.000 -16.291 1.00 0.00 C ATOM 1138 NH1 ARG A 76 -4.275 8.086 -16.029 1.00 0.00 N ATOM 1139 NH2 ARG A 76 -2.564 7.810 -17.537 1.00 0.00 N ATOM 0 H ARG A 76 -2.458 5.863 -10.861 1.00 0.00 H new ATOM 0 HA ARG A 76 -3.152 5.633 -13.722 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -0.424 5.948 -12.422 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -0.811 6.090 -14.126 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -1.697 7.990 -11.923 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -0.454 8.299 -13.119 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -3.407 7.842 -13.699 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -2.586 9.390 -13.727 1.00 0.00 H new ATOM 0 HE ARG A 76 -1.101 8.034 -15.538 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -4.593 8.234 -15.071 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -4.954 8.004 -16.785 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -1.566 7.746 -17.739 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -3.244 7.728 -18.293 1.00 0.00 H new ATOM 1153 N ALA A 77 -2.302 3.273 -13.986 1.00 0.00 N ATOM 1154 CA ALA A 77 -1.925 1.869 -14.082 1.00 0.00 C ATOM 1155 C ALA A 77 -0.429 1.744 -14.331 1.00 0.00 C ATOM 1156 O ALA A 77 0.106 2.344 -15.267 1.00 0.00 O ATOM 1157 CB ALA A 77 -2.708 1.166 -15.182 1.00 0.00 C ATOM 0 H ALA A 77 -2.730 3.657 -14.829 1.00 0.00 H new ATOM 0 HA ALA A 77 -2.167 1.385 -13.136 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -2.407 0.120 -15.231 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -3.774 1.227 -14.965 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -2.504 1.648 -16.138 1.00 0.00 H new ATOM 1163 N LEU A 78 0.239 0.977 -13.480 1.00 0.00 N ATOM 1164 CA LEU A 78 1.683 0.792 -13.571 1.00 0.00 C ATOM 1165 C LEU A 78 2.033 -0.179 -14.686 1.00 0.00 C ATOM 1166 O LEU A 78 1.258 -1.078 -15.003 1.00 0.00 O ATOM 1167 CB LEU A 78 2.251 0.254 -12.253 1.00 0.00 C ATOM 1168 CG LEU A 78 2.403 1.262 -11.105 1.00 0.00 C ATOM 1169 CD1 LEU A 78 1.066 1.867 -10.705 1.00 0.00 C ATOM 1170 CD2 LEU A 78 3.052 0.588 -9.907 1.00 0.00 C ATOM 0 H LEU A 78 -0.200 0.469 -12.712 1.00 0.00 H new ATOM 0 HA LEU A 78 2.122 1.767 -13.784 1.00 0.00 H new ATOM 0 HB2 LEU A 78 1.608 -0.557 -11.911 1.00 0.00 H new ATOM 0 HB3 LEU A 78 3.230 -0.180 -12.456 1.00 0.00 H new ATOM 0 HG LEU A 78 3.040 2.074 -11.456 1.00 0.00 H new ATOM 0 HD11 LEU A 78 1.216 2.575 -9.890 1.00 0.00 H new ATOM 0 HD12 LEU A 78 0.631 2.385 -11.560 1.00 0.00 H new ATOM 0 HD13 LEU A 78 0.392 1.075 -10.378 1.00 0.00 H new ATOM 0 HD21 LEU A 78 3.157 1.309 -9.096 1.00 0.00 H new ATOM 0 HD22 LEU A 78 2.429 -0.243 -9.575 1.00 0.00 H new ATOM 0 HD23 LEU A 78 4.036 0.214 -10.189 1.00 0.00 H new ATOM 1182 N SER A 79 3.205 0.000 -15.268 1.00 0.00 N ATOM 1183 CA SER A 79 3.690 -0.900 -16.298 1.00 0.00 C ATOM 1184 C SER A 79 5.194 -1.090 -16.157 1.00 0.00 C ATOM 1185 O SER A 79 5.864 -0.272 -15.526 1.00 0.00 O ATOM 1186 CB SER A 79 3.354 -0.347 -17.685 1.00 0.00 C ATOM 1187 OG SER A 79 1.962 -0.100 -17.809 1.00 0.00 O ATOM 0 H SER A 79 3.841 0.765 -15.043 1.00 0.00 H new ATOM 0 HA SER A 79 3.200 -1.867 -16.181 1.00 0.00 H new ATOM 0 HB2 SER A 79 3.908 0.576 -17.857 1.00 0.00 H new ATOM 0 HB3 SER A 79 3.671 -1.056 -18.450 1.00 0.00 H new ATOM 0 HG SER A 79 1.771 0.254 -18.703 1.00 0.00 H new ATOM 1193 N ASP A 80 5.706 -2.180 -16.719 1.00 0.00 N ATOM 1194 CA ASP A 80 7.142 -2.455 -16.722 1.00 0.00 C ATOM 1195 C ASP A 80 7.674 -2.632 -15.303 1.00 0.00 C ATOM 1196 O ASP A 80 7.003 -3.222 -14.452 1.00 0.00 O ATOM 1197 CB ASP A 80 7.912 -1.346 -17.460 1.00 0.00 C ATOM 1198 CG ASP A 80 7.660 -1.356 -18.955 1.00 0.00 C ATOM 1199 OD1 ASP A 80 8.379 -2.079 -19.675 1.00 0.00 O ATOM 1200 OD2 ASP A 80 6.744 -0.645 -19.420 1.00 0.00 O ATOM 0 H ASP A 80 5.144 -2.894 -17.182 1.00 0.00 H new ATOM 0 HA ASP A 80 7.299 -3.392 -17.257 1.00 0.00 H new ATOM 0 HB2 ASP A 80 7.624 -0.377 -17.053 1.00 0.00 H new ATOM 0 HB3 ASP A 80 8.979 -1.465 -17.275 1.00 0.00 H new ATOM 1205 N ALA A 81 8.868 -2.111 -15.050 1.00 0.00 N ATOM 1206 CA ALA A 81 9.574 -2.365 -13.803 1.00 0.00 C ATOM 1207 C ALA A 81 8.832 -1.823 -12.581 1.00 0.00 C ATOM 1208 O ALA A 81 9.065 -2.281 -11.463 1.00 0.00 O ATOM 1209 CB ALA A 81 10.977 -1.783 -13.870 1.00 0.00 C ATOM 0 H ALA A 81 9.370 -1.505 -15.699 1.00 0.00 H new ATOM 0 HA ALA A 81 9.631 -3.447 -13.682 1.00 0.00 H new ATOM 0 HB1 ALA A 81 11.497 -1.978 -12.932 1.00 0.00 H new ATOM 0 HB2 ALA A 81 11.524 -2.246 -14.691 1.00 0.00 H new ATOM 0 HB3 ALA A 81 10.917 -0.707 -14.034 1.00 0.00 H new ATOM 1215 N GLU A 82 7.924 -0.876 -12.796 1.00 0.00 N ATOM 1216 CA GLU A 82 7.202 -0.252 -11.697 1.00 0.00 C ATOM 1217 C GLU A 82 6.415 -1.302 -10.961 1.00 0.00 C ATOM 1218 O GLU A 82 6.543 -1.457 -9.752 1.00 0.00 O ATOM 1219 CB GLU A 82 6.236 0.816 -12.203 1.00 0.00 C ATOM 1220 CG GLU A 82 6.791 1.645 -13.334 1.00 0.00 C ATOM 1221 CD GLU A 82 8.125 2.277 -12.997 1.00 0.00 C ATOM 1222 OE1 GLU A 82 8.150 3.264 -12.229 1.00 0.00 O ATOM 1223 OE2 GLU A 82 9.159 1.797 -13.506 1.00 0.00 O ATOM 0 H GLU A 82 7.672 -0.526 -13.720 1.00 0.00 H new ATOM 0 HA GLU A 82 7.931 0.219 -11.037 1.00 0.00 H new ATOM 0 HB2 GLU A 82 5.316 0.334 -12.534 1.00 0.00 H new ATOM 0 HB3 GLU A 82 5.971 1.475 -11.376 1.00 0.00 H new ATOM 0 HG2 GLU A 82 6.904 1.017 -14.218 1.00 0.00 H new ATOM 0 HG3 GLU A 82 6.077 2.428 -13.589 1.00 0.00 H new ATOM 1230 N THR A 83 5.614 -2.037 -11.715 1.00 0.00 N ATOM 1231 CA THR A 83 4.802 -3.091 -11.141 1.00 0.00 C ATOM 1232 C THR A 83 5.686 -4.193 -10.573 1.00 0.00 C ATOM 1233 O THR A 83 5.373 -4.766 -9.540 1.00 0.00 O ATOM 1234 CB THR A 83 3.843 -3.703 -12.171 1.00 0.00 C ATOM 1235 OG1 THR A 83 3.387 -2.693 -13.077 1.00 0.00 O ATOM 1236 CG2 THR A 83 2.645 -4.326 -11.473 1.00 0.00 C ATOM 0 H THR A 83 5.510 -1.922 -12.723 1.00 0.00 H new ATOM 0 HA THR A 83 4.211 -2.638 -10.345 1.00 0.00 H new ATOM 0 HB THR A 83 4.378 -4.475 -12.724 1.00 0.00 H new ATOM 0 HG1 THR A 83 2.411 -2.623 -13.025 1.00 0.00 H new ATOM 0 HG21 THR A 83 1.974 -4.756 -12.216 1.00 0.00 H new ATOM 0 HG22 THR A 83 2.985 -5.109 -10.795 1.00 0.00 H new ATOM 0 HG23 THR A 83 2.116 -3.560 -10.906 1.00 0.00 H new ATOM 1244 N LYS A 84 6.799 -4.470 -11.248 1.00 0.00 N ATOM 1245 CA LYS A 84 7.714 -5.516 -10.817 1.00 0.00 C ATOM 1246 C LYS A 84 8.214 -5.237 -9.404 1.00 0.00 C ATOM 1247 O LYS A 84 8.002 -6.032 -8.490 1.00 0.00 O ATOM 1248 CB LYS A 84 8.909 -5.609 -11.765 1.00 0.00 C ATOM 1249 CG LYS A 84 8.561 -5.716 -13.245 1.00 0.00 C ATOM 1250 CD LYS A 84 7.868 -7.025 -13.602 1.00 0.00 C ATOM 1251 CE LYS A 84 6.356 -6.913 -13.505 1.00 0.00 C ATOM 1252 NZ LYS A 84 5.678 -8.142 -13.985 1.00 0.00 N ATOM 0 H LYS A 84 7.087 -3.982 -12.096 1.00 0.00 H new ATOM 0 HA LYS A 84 7.173 -6.462 -10.829 1.00 0.00 H new ATOM 0 HB2 LYS A 84 9.536 -4.730 -11.619 1.00 0.00 H new ATOM 0 HB3 LYS A 84 9.506 -6.477 -11.486 1.00 0.00 H new ATOM 0 HG2 LYS A 84 7.915 -4.883 -13.522 1.00 0.00 H new ATOM 0 HG3 LYS A 84 9.473 -5.622 -13.834 1.00 0.00 H new ATOM 0 HD2 LYS A 84 8.146 -7.318 -14.615 1.00 0.00 H new ATOM 0 HD3 LYS A 84 8.217 -7.814 -12.935 1.00 0.00 H new ATOM 0 HE2 LYS A 84 6.072 -6.722 -12.470 1.00 0.00 H new ATOM 0 HE3 LYS A 84 6.017 -6.059 -14.091 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 4.788 -7.885 -14.458 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 6.296 -8.640 -14.657 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 5.474 -8.764 -13.177 1.00 0.00 H new ATOM 1266 N VAL A 85 8.853 -4.085 -9.232 1.00 0.00 N ATOM 1267 CA VAL A 85 9.417 -3.703 -7.945 1.00 0.00 C ATOM 1268 C VAL A 85 8.312 -3.443 -6.927 1.00 0.00 C ATOM 1269 O VAL A 85 8.457 -3.760 -5.745 1.00 0.00 O ATOM 1270 CB VAL A 85 10.305 -2.450 -8.076 1.00 0.00 C ATOM 1271 CG1 VAL A 85 10.922 -2.080 -6.735 1.00 0.00 C ATOM 1272 CG2 VAL A 85 11.386 -2.675 -9.121 1.00 0.00 C ATOM 0 H VAL A 85 8.993 -3.397 -9.972 1.00 0.00 H new ATOM 0 HA VAL A 85 10.033 -4.532 -7.599 1.00 0.00 H new ATOM 0 HB VAL A 85 9.679 -1.618 -8.399 1.00 0.00 H new ATOM 0 HG11 VAL A 85 11.544 -1.193 -6.853 1.00 0.00 H new ATOM 0 HG12 VAL A 85 10.130 -1.875 -6.014 1.00 0.00 H new ATOM 0 HG13 VAL A 85 11.534 -2.907 -6.375 1.00 0.00 H new ATOM 0 HG21 VAL A 85 12.005 -1.782 -9.202 1.00 0.00 H new ATOM 0 HG22 VAL A 85 12.007 -3.521 -8.826 1.00 0.00 H new ATOM 0 HG23 VAL A 85 10.922 -2.884 -10.085 1.00 0.00 H new ATOM 1282 N PHE A 86 7.207 -2.874 -7.395 1.00 0.00 N ATOM 1283 CA PHE A 86 6.051 -2.633 -6.544 1.00 0.00 C ATOM 1284 C PHE A 86 5.547 -3.949 -5.953 1.00 0.00 C ATOM 1285 O PHE A 86 5.221 -4.022 -4.772 1.00 0.00 O ATOM 1286 CB PHE A 86 4.947 -1.921 -7.340 1.00 0.00 C ATOM 1287 CG PHE A 86 3.651 -1.755 -6.593 1.00 0.00 C ATOM 1288 CD1 PHE A 86 3.441 -0.645 -5.792 1.00 0.00 C ATOM 1289 CD2 PHE A 86 2.646 -2.704 -6.691 1.00 0.00 C ATOM 1290 CE1 PHE A 86 2.256 -0.485 -5.101 1.00 0.00 C ATOM 1291 CE2 PHE A 86 1.459 -2.548 -6.001 1.00 0.00 C ATOM 1292 CZ PHE A 86 1.264 -1.437 -5.206 1.00 0.00 C ATOM 0 H PHE A 86 7.089 -2.571 -8.362 1.00 0.00 H new ATOM 0 HA PHE A 86 6.344 -1.984 -5.719 1.00 0.00 H new ATOM 0 HB2 PHE A 86 5.308 -0.937 -7.639 1.00 0.00 H new ATOM 0 HB3 PHE A 86 4.756 -2.482 -8.255 1.00 0.00 H new ATOM 0 HD1 PHE A 86 4.214 0.105 -5.707 1.00 0.00 H new ATOM 0 HD2 PHE A 86 2.792 -3.575 -7.313 1.00 0.00 H new ATOM 0 HE1 PHE A 86 2.106 0.385 -4.479 1.00 0.00 H new ATOM 0 HE2 PHE A 86 0.684 -3.296 -6.084 1.00 0.00 H new ATOM 0 HZ PHE A 86 0.336 -1.313 -4.667 1.00 0.00 H new ATOM 1302 N LEU A 87 5.506 -4.990 -6.777 1.00 0.00 N ATOM 1303 CA LEU A 87 5.118 -6.312 -6.311 1.00 0.00 C ATOM 1304 C LEU A 87 6.198 -6.892 -5.407 1.00 0.00 C ATOM 1305 O LEU A 87 5.910 -7.322 -4.296 1.00 0.00 O ATOM 1306 CB LEU A 87 4.870 -7.261 -7.489 1.00 0.00 C ATOM 1307 CG LEU A 87 3.722 -6.868 -8.422 1.00 0.00 C ATOM 1308 CD1 LEU A 87 3.651 -7.822 -9.605 1.00 0.00 C ATOM 1309 CD2 LEU A 87 2.399 -6.848 -7.672 1.00 0.00 C ATOM 0 H LEU A 87 5.737 -4.942 -7.769 1.00 0.00 H new ATOM 0 HA LEU A 87 4.191 -6.208 -5.747 1.00 0.00 H new ATOM 0 HB2 LEU A 87 5.785 -7.329 -8.077 1.00 0.00 H new ATOM 0 HB3 LEU A 87 4.669 -8.257 -7.094 1.00 0.00 H new ATOM 0 HG LEU A 87 3.914 -5.863 -8.797 1.00 0.00 H new ATOM 0 HD11 LEU A 87 2.830 -7.530 -10.259 1.00 0.00 H new ATOM 0 HD12 LEU A 87 4.588 -7.784 -10.160 1.00 0.00 H new ATOM 0 HD13 LEU A 87 3.484 -8.837 -9.244 1.00 0.00 H new ATOM 0 HD21 LEU A 87 1.598 -6.566 -8.355 1.00 0.00 H new ATOM 0 HD22 LEU A 87 2.197 -7.839 -7.264 1.00 0.00 H new ATOM 0 HD23 LEU A 87 2.453 -6.125 -6.858 1.00 0.00 H new ATOM 1321 N LYS A 88 7.444 -6.864 -5.881 1.00 0.00 N ATOM 1322 CA LYS A 88 8.578 -7.447 -5.156 1.00 0.00 C ATOM 1323 C LYS A 88 8.761 -6.827 -3.772 1.00 0.00 C ATOM 1324 O LYS A 88 9.374 -7.433 -2.889 1.00 0.00 O ATOM 1325 CB LYS A 88 9.870 -7.280 -5.958 1.00 0.00 C ATOM 1326 CG LYS A 88 9.919 -8.101 -7.232 1.00 0.00 C ATOM 1327 CD LYS A 88 10.050 -9.582 -6.929 1.00 0.00 C ATOM 1328 CE LYS A 88 10.299 -10.388 -8.193 1.00 0.00 C ATOM 1329 NZ LYS A 88 11.559 -9.983 -8.871 1.00 0.00 N ATOM 0 H LYS A 88 7.697 -6.439 -6.773 1.00 0.00 H new ATOM 0 HA LYS A 88 8.356 -8.506 -5.025 1.00 0.00 H new ATOM 0 HB2 LYS A 88 9.994 -6.227 -6.212 1.00 0.00 H new ATOM 0 HB3 LYS A 88 10.715 -7.557 -5.327 1.00 0.00 H new ATOM 0 HG2 LYS A 88 9.015 -7.926 -7.815 1.00 0.00 H new ATOM 0 HG3 LYS A 88 10.761 -7.777 -7.844 1.00 0.00 H new ATOM 0 HD2 LYS A 88 10.869 -9.740 -6.228 1.00 0.00 H new ATOM 0 HD3 LYS A 88 9.141 -9.937 -6.443 1.00 0.00 H new ATOM 0 HE2 LYS A 88 10.346 -11.448 -7.944 1.00 0.00 H new ATOM 0 HE3 LYS A 88 9.461 -10.258 -8.877 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 11.871 -10.744 -9.508 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 11.394 -9.117 -9.422 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 12.295 -9.805 -8.158 1.00 0.00 H new ATOM 1343 N ALA A 89 8.244 -5.617 -3.593 1.00 0.00 N ATOM 1344 CA ALA A 89 8.281 -4.948 -2.299 1.00 0.00 C ATOM 1345 C ALA A 89 7.595 -5.796 -1.235 1.00 0.00 C ATOM 1346 O ALA A 89 7.973 -5.773 -0.062 1.00 0.00 O ATOM 1347 CB ALA A 89 7.620 -3.583 -2.392 1.00 0.00 C ATOM 0 H ALA A 89 7.792 -5.078 -4.332 1.00 0.00 H new ATOM 0 HA ALA A 89 9.324 -4.814 -2.012 1.00 0.00 H new ATOM 0 HB1 ALA A 89 7.655 -3.095 -1.418 1.00 0.00 H new ATOM 0 HB2 ALA A 89 8.149 -2.972 -3.124 1.00 0.00 H new ATOM 0 HB3 ALA A 89 6.582 -3.702 -2.701 1.00 0.00 H new ATOM 1353 N GLY A 90 6.592 -6.552 -1.661 1.00 0.00 N ATOM 1354 CA GLY A 90 5.886 -7.434 -0.761 1.00 0.00 C ATOM 1355 C GLY A 90 6.017 -8.884 -1.174 1.00 0.00 C ATOM 1356 O GLY A 90 6.378 -9.737 -0.361 1.00 0.00 O ATOM 0 H GLY A 90 6.254 -6.568 -2.623 1.00 0.00 H new ATOM 0 HA2 GLY A 90 6.274 -7.308 0.250 1.00 0.00 H new ATOM 0 HA3 GLY A 90 4.832 -7.158 -0.734 1.00 0.00 H new ATOM 1360 N ASP A 91 5.737 -9.154 -2.448 1.00 0.00 N ATOM 1361 CA ASP A 91 5.848 -10.498 -3.007 1.00 0.00 C ATOM 1362 C ASP A 91 7.279 -10.991 -2.881 1.00 0.00 C ATOM 1363 O ASP A 91 8.160 -10.579 -3.638 1.00 0.00 O ATOM 1364 CB ASP A 91 5.446 -10.511 -4.475 1.00 0.00 C ATOM 1365 CG ASP A 91 5.470 -11.915 -5.035 1.00 0.00 C ATOM 1366 OD1 ASP A 91 5.035 -12.848 -4.318 1.00 0.00 O ATOM 1367 OD2 ASP A 91 5.916 -12.097 -6.183 1.00 0.00 O ATOM 0 H ASP A 91 5.428 -8.450 -3.118 1.00 0.00 H new ATOM 0 HA ASP A 91 5.177 -11.153 -2.451 1.00 0.00 H new ATOM 0 HB2 ASP A 91 4.447 -10.090 -4.585 1.00 0.00 H new ATOM 0 HB3 ASP A 91 6.124 -9.877 -5.046 1.00 0.00 H new ATOM 1372 N SER A 92 7.510 -11.871 -1.933 1.00 0.00 N ATOM 1373 CA SER A 92 8.851 -12.321 -1.627 1.00 0.00 C ATOM 1374 C SER A 92 9.142 -13.621 -2.355 1.00 0.00 C ATOM 1375 O SER A 92 10.292 -14.043 -2.468 1.00 0.00 O ATOM 1376 CB SER A 92 8.999 -12.493 -0.119 1.00 0.00 C ATOM 1377 OG SER A 92 8.539 -11.333 0.560 1.00 0.00 O ATOM 0 H SER A 92 6.782 -12.292 -1.356 1.00 0.00 H new ATOM 0 HA SER A 92 9.572 -11.577 -1.964 1.00 0.00 H new ATOM 0 HB2 SER A 92 8.433 -13.364 0.211 1.00 0.00 H new ATOM 0 HB3 SER A 92 10.044 -12.678 0.131 1.00 0.00 H new ATOM 0 HG SER A 92 7.731 -10.995 0.120 1.00 0.00 H new ATOM 1383 N ASP A 93 8.087 -14.240 -2.866 1.00 0.00 N ATOM 1384 CA ASP A 93 8.228 -15.476 -3.628 1.00 0.00 C ATOM 1385 C ASP A 93 8.705 -15.160 -5.033 1.00 0.00 C ATOM 1386 O ASP A 93 9.310 -15.996 -5.709 1.00 0.00 O ATOM 1387 CB ASP A 93 6.901 -16.237 -3.726 1.00 0.00 C ATOM 1388 CG ASP A 93 5.958 -15.954 -2.581 1.00 0.00 C ATOM 1389 OD1 ASP A 93 6.032 -16.648 -1.545 1.00 0.00 O ATOM 1390 OD2 ASP A 93 5.121 -15.037 -2.723 1.00 0.00 O ATOM 0 H ASP A 93 7.127 -13.909 -2.768 1.00 0.00 H new ATOM 0 HA ASP A 93 8.952 -16.101 -3.105 1.00 0.00 H new ATOM 0 HB2 ASP A 93 6.410 -15.976 -4.664 1.00 0.00 H new ATOM 0 HB3 ASP A 93 7.107 -17.307 -3.761 1.00 0.00 H new ATOM 1395 N GLY A 94 8.419 -13.936 -5.464 1.00 0.00 N ATOM 1396 CA GLY A 94 8.710 -13.533 -6.821 1.00 0.00 C ATOM 1397 C GLY A 94 7.739 -14.165 -7.789 1.00 0.00 C ATOM 1398 O GLY A 94 8.037 -14.327 -8.974 1.00 0.00 O ATOM 0 H GLY A 94 7.987 -13.213 -4.889 1.00 0.00 H new ATOM 0 HA2 GLY A 94 8.656 -12.447 -6.902 1.00 0.00 H new ATOM 0 HA3 GLY A 94 9.729 -13.822 -7.080 1.00 0.00 H new ATOM 1402 N ASP A 95 6.559 -14.500 -7.279 1.00 0.00 N ATOM 1403 CA ASP A 95 5.582 -15.251 -8.042 1.00 0.00 C ATOM 1404 C ASP A 95 4.706 -14.316 -8.869 1.00 0.00 C ATOM 1405 O ASP A 95 3.939 -14.765 -9.718 1.00 0.00 O ATOM 1406 CB ASP A 95 4.729 -16.141 -7.120 1.00 0.00 C ATOM 1407 CG ASP A 95 3.623 -15.400 -6.385 1.00 0.00 C ATOM 1408 OD1 ASP A 95 3.863 -14.886 -5.258 1.00 0.00 O ATOM 1409 OD2 ASP A 95 2.493 -15.368 -6.914 1.00 0.00 O ATOM 0 H ASP A 95 6.259 -14.259 -6.334 1.00 0.00 H new ATOM 0 HA ASP A 95 6.119 -15.904 -8.730 1.00 0.00 H new ATOM 0 HB2 ASP A 95 4.283 -16.939 -7.715 1.00 0.00 H new ATOM 0 HB3 ASP A 95 5.381 -16.616 -6.387 1.00 0.00 H new ATOM 1414 N GLY A 96 4.832 -13.014 -8.633 1.00 0.00 N ATOM 1415 CA GLY A 96 4.129 -12.047 -9.459 1.00 0.00 C ATOM 1416 C GLY A 96 2.746 -11.735 -8.935 1.00 0.00 C ATOM 1417 O GLY A 96 1.833 -11.425 -9.700 1.00 0.00 O ATOM 0 H GLY A 96 5.404 -12.612 -7.890 1.00 0.00 H new ATOM 0 HA2 GLY A 96 4.711 -11.127 -9.510 1.00 0.00 H new ATOM 0 HA3 GLY A 96 4.051 -12.432 -10.476 1.00 0.00 H new ATOM 1421 N LYS A 97 2.592 -11.841 -7.631 1.00 0.00 N ATOM 1422 CA LYS A 97 1.311 -11.632 -6.980 1.00 0.00 C ATOM 1423 C LYS A 97 1.527 -10.939 -5.665 1.00 0.00 C ATOM 1424 O LYS A 97 2.600 -11.016 -5.078 1.00 0.00 O ATOM 1425 CB LYS A 97 0.628 -12.980 -6.731 1.00 0.00 C ATOM 1426 CG LYS A 97 0.545 -13.366 -5.254 1.00 0.00 C ATOM 1427 CD LYS A 97 0.029 -14.787 -5.047 1.00 0.00 C ATOM 1428 CE LYS A 97 -1.263 -15.052 -5.810 1.00 0.00 C ATOM 1429 NZ LYS A 97 -1.002 -15.543 -7.192 1.00 0.00 N ATOM 0 H LYS A 97 3.351 -12.075 -6.991 1.00 0.00 H new ATOM 0 HA LYS A 97 0.679 -11.019 -7.623 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -0.379 -12.948 -7.146 1.00 0.00 H new ATOM 0 HB3 LYS A 97 1.170 -13.757 -7.270 1.00 0.00 H new ATOM 0 HG2 LYS A 97 1.532 -13.272 -4.802 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -0.111 -12.666 -4.736 1.00 0.00 H new ATOM 0 HD2 LYS A 97 0.790 -15.498 -5.369 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -0.138 -14.959 -3.984 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -1.859 -15.788 -5.270 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -1.852 -14.136 -5.855 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -1.420 -14.884 -7.879 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 0.024 -15.604 -7.351 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -1.427 -16.484 -7.312 1.00 0.00 H new ATOM 1443 N ILE A 98 0.507 -10.278 -5.196 1.00 0.00 N ATOM 1444 CA ILE A 98 0.552 -9.708 -3.888 1.00 0.00 C ATOM 1445 C ILE A 98 -0.231 -10.566 -2.922 1.00 0.00 C ATOM 1446 O ILE A 98 -1.464 -10.561 -2.916 1.00 0.00 O ATOM 1447 CB ILE A 98 0.019 -8.269 -3.874 1.00 0.00 C ATOM 1448 CG1 ILE A 98 1.035 -7.325 -4.518 1.00 0.00 C ATOM 1449 CG2 ILE A 98 -0.302 -7.820 -2.461 1.00 0.00 C ATOM 1450 CD1 ILE A 98 2.402 -7.369 -3.869 1.00 0.00 C ATOM 0 H ILE A 98 -0.364 -10.123 -5.703 1.00 0.00 H new ATOM 0 HA ILE A 98 1.596 -9.674 -3.576 1.00 0.00 H new ATOM 0 HB ILE A 98 -0.904 -8.241 -4.452 1.00 0.00 H new ATOM 0 HG12 ILE A 98 1.135 -7.578 -5.573 1.00 0.00 H new ATOM 0 HG13 ILE A 98 0.652 -6.306 -4.470 1.00 0.00 H new ATOM 0 HG21 ILE A 98 -0.678 -6.797 -2.481 1.00 0.00 H new ATOM 0 HG22 ILE A 98 -1.060 -8.477 -2.034 1.00 0.00 H new ATOM 0 HG23 ILE A 98 0.601 -7.863 -1.852 1.00 0.00 H new ATOM 0 HD11 ILE A 98 3.069 -6.674 -4.379 1.00 0.00 H new ATOM 0 HD12 ILE A 98 2.316 -7.086 -2.820 1.00 0.00 H new ATOM 0 HD13 ILE A 98 2.806 -8.379 -3.941 1.00 0.00 H new ATOM 1462 N GLY A 99 0.486 -11.360 -2.153 1.00 0.00 N ATOM 1463 CA GLY A 99 -0.113 -11.923 -0.980 1.00 0.00 C ATOM 1464 C GLY A 99 -0.455 -10.790 -0.052 1.00 0.00 C ATOM 1465 O GLY A 99 0.303 -9.832 0.043 1.00 0.00 O ATOM 0 H GLY A 99 1.458 -11.620 -2.319 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -1.008 -12.487 -1.241 1.00 0.00 H new ATOM 0 HA3 GLY A 99 0.573 -12.619 -0.497 1.00 0.00 H new ATOM 1469 N VAL A 100 -1.592 -10.849 0.586 1.00 0.00 N ATOM 1470 CA VAL A 100 -2.036 -9.742 1.412 1.00 0.00 C ATOM 1471 C VAL A 100 -1.067 -9.507 2.563 1.00 0.00 C ATOM 1472 O VAL A 100 -0.746 -8.366 2.908 1.00 0.00 O ATOM 1473 CB VAL A 100 -3.443 -10.011 1.930 1.00 0.00 C ATOM 1474 CG1 VAL A 100 -3.905 -8.908 2.865 1.00 0.00 C ATOM 1475 CG2 VAL A 100 -4.378 -10.179 0.749 1.00 0.00 C ATOM 0 H VAL A 100 -2.230 -11.644 0.555 1.00 0.00 H new ATOM 0 HA VAL A 100 -2.058 -8.837 0.805 1.00 0.00 H new ATOM 0 HB VAL A 100 -3.446 -10.931 2.514 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -4.912 -9.128 3.218 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -3.228 -8.846 3.717 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -3.907 -7.957 2.333 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -5.388 -10.372 1.109 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -4.374 -9.269 0.150 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -4.045 -11.017 0.137 1.00 0.00 H new ATOM 1485 N ASP A 101 -0.583 -10.599 3.125 1.00 0.00 N ATOM 1486 CA ASP A 101 0.477 -10.554 4.121 1.00 0.00 C ATOM 1487 C ASP A 101 1.752 -9.979 3.505 1.00 0.00 C ATOM 1488 O ASP A 101 2.499 -9.254 4.161 1.00 0.00 O ATOM 1489 CB ASP A 101 0.739 -11.958 4.682 1.00 0.00 C ATOM 1490 CG ASP A 101 1.287 -12.918 3.641 1.00 0.00 C ATOM 1491 OD1 ASP A 101 0.673 -13.047 2.561 1.00 0.00 O ATOM 1492 OD2 ASP A 101 2.326 -13.561 3.904 1.00 0.00 O ATOM 0 H ASP A 101 -0.911 -11.540 2.907 1.00 0.00 H new ATOM 0 HA ASP A 101 0.163 -9.907 4.940 1.00 0.00 H new ATOM 0 HB2 ASP A 101 1.444 -11.887 5.510 1.00 0.00 H new ATOM 0 HB3 ASP A 101 -0.189 -12.361 5.087 1.00 0.00 H new ATOM 1497 N GLU A 102 1.980 -10.288 2.228 1.00 0.00 N ATOM 1498 CA GLU A 102 3.118 -9.745 1.495 1.00 0.00 C ATOM 1499 C GLU A 102 2.958 -8.230 1.329 1.00 0.00 C ATOM 1500 O GLU A 102 3.916 -7.474 1.489 1.00 0.00 O ATOM 1501 CB GLU A 102 3.270 -10.423 0.117 1.00 0.00 C ATOM 1502 CG GLU A 102 3.360 -11.949 0.180 1.00 0.00 C ATOM 1503 CD GLU A 102 4.106 -12.570 -1.001 1.00 0.00 C ATOM 1504 OE1 GLU A 102 3.494 -12.806 -2.080 1.00 0.00 O ATOM 1505 OE2 GLU A 102 5.314 -12.843 -0.849 1.00 0.00 O ATOM 0 H GLU A 102 1.388 -10.913 1.681 1.00 0.00 H new ATOM 0 HA GLU A 102 4.022 -9.949 2.069 1.00 0.00 H new ATOM 0 HB2 GLU A 102 2.422 -10.145 -0.509 1.00 0.00 H new ATOM 0 HB3 GLU A 102 4.165 -10.036 -0.370 1.00 0.00 H new ATOM 0 HG2 GLU A 102 3.859 -12.237 1.105 1.00 0.00 H new ATOM 0 HG3 GLU A 102 2.352 -12.362 0.220 1.00 0.00 H new ATOM 1512 N PHE A 103 1.735 -7.795 1.035 1.00 0.00 N ATOM 1513 CA PHE A 103 1.439 -6.375 0.859 1.00 0.00 C ATOM 1514 C PHE A 103 1.652 -5.624 2.164 1.00 0.00 C ATOM 1515 O PHE A 103 2.288 -4.573 2.188 1.00 0.00 O ATOM 1516 CB PHE A 103 -0.004 -6.181 0.382 1.00 0.00 C ATOM 1517 CG PHE A 103 -0.248 -4.859 -0.298 1.00 0.00 C ATOM 1518 CD1 PHE A 103 0.288 -4.603 -1.549 1.00 0.00 C ATOM 1519 CD2 PHE A 103 -1.016 -3.880 0.306 1.00 0.00 C ATOM 1520 CE1 PHE A 103 0.066 -3.397 -2.184 1.00 0.00 C ATOM 1521 CE2 PHE A 103 -1.243 -2.670 -0.325 1.00 0.00 C ATOM 1522 CZ PHE A 103 -0.700 -2.428 -1.570 1.00 0.00 C ATOM 0 H PHE A 103 0.929 -8.409 0.913 1.00 0.00 H new ATOM 0 HA PHE A 103 2.117 -5.977 0.104 1.00 0.00 H new ATOM 0 HB2 PHE A 103 -0.260 -6.986 -0.307 1.00 0.00 H new ATOM 0 HB3 PHE A 103 -0.674 -6.268 1.237 1.00 0.00 H new ATOM 0 HD1 PHE A 103 0.888 -5.358 -2.035 1.00 0.00 H new ATOM 0 HD2 PHE A 103 -1.443 -4.062 1.281 1.00 0.00 H new ATOM 0 HE1 PHE A 103 0.491 -3.213 -3.159 1.00 0.00 H new ATOM 0 HE2 PHE A 103 -1.846 -1.914 0.157 1.00 0.00 H new ATOM 0 HZ PHE A 103 -0.874 -1.483 -2.062 1.00 0.00 H new ATOM 1532 N GLY A 104 1.129 -6.179 3.252 1.00 0.00 N ATOM 1533 CA GLY A 104 1.318 -5.575 4.558 1.00 0.00 C ATOM 1534 C GLY A 104 2.786 -5.422 4.900 1.00 0.00 C ATOM 1535 O GLY A 104 3.194 -4.429 5.502 1.00 0.00 O ATOM 0 H GLY A 104 0.577 -7.037 3.253 1.00 0.00 H new ATOM 0 HA2 GLY A 104 0.836 -4.598 4.580 1.00 0.00 H new ATOM 0 HA3 GLY A 104 0.830 -6.188 5.316 1.00 0.00 H new ATOM 1539 N ALA A 105 3.583 -6.392 4.476 1.00 0.00 N ATOM 1540 CA ALA A 105 5.014 -6.384 4.736 1.00 0.00 C ATOM 1541 C ALA A 105 5.730 -5.290 3.944 1.00 0.00 C ATOM 1542 O ALA A 105 6.820 -4.866 4.315 1.00 0.00 O ATOM 1543 CB ALA A 105 5.614 -7.743 4.413 1.00 0.00 C ATOM 0 H ALA A 105 3.259 -7.201 3.946 1.00 0.00 H new ATOM 0 HA ALA A 105 5.155 -6.170 5.795 1.00 0.00 H new ATOM 0 HB1 ALA A 105 6.686 -7.724 4.612 1.00 0.00 H new ATOM 0 HB2 ALA A 105 5.143 -8.505 5.034 1.00 0.00 H new ATOM 0 HB3 ALA A 105 5.444 -7.975 3.362 1.00 0.00 H new ATOM 1549 N MET A 106 5.130 -4.836 2.849 1.00 0.00 N ATOM 1550 CA MET A 106 5.722 -3.749 2.075 1.00 0.00 C ATOM 1551 C MET A 106 5.259 -2.410 2.627 1.00 0.00 C ATOM 1552 O MET A 106 5.934 -1.393 2.479 1.00 0.00 O ATOM 1553 CB MET A 106 5.367 -3.839 0.586 1.00 0.00 C ATOM 1554 CG MET A 106 4.062 -3.149 0.205 1.00 0.00 C ATOM 1555 SD MET A 106 3.864 -2.932 -1.575 1.00 0.00 S ATOM 1556 CE MET A 106 3.639 -4.624 -2.112 1.00 0.00 C ATOM 0 H MET A 106 4.249 -5.196 2.481 1.00 0.00 H new ATOM 0 HA MET A 106 6.805 -3.838 2.164 1.00 0.00 H new ATOM 0 HB2 MET A 106 6.178 -3.401 0.005 1.00 0.00 H new ATOM 0 HB3 MET A 106 5.304 -4.890 0.303 1.00 0.00 H new ATOM 0 HG2 MET A 106 3.225 -3.733 0.588 1.00 0.00 H new ATOM 0 HG3 MET A 106 4.019 -2.174 0.690 1.00 0.00 H new ATOM 0 HE1 MET A 106 2.836 -4.669 -2.847 1.00 0.00 H new ATOM 0 HE2 MET A 106 4.563 -4.989 -2.561 1.00 0.00 H new ATOM 0 HE3 MET A 106 3.382 -5.247 -1.255 1.00 0.00 H new ATOM 1566 N ILE A 107 4.104 -2.429 3.272 1.00 0.00 N ATOM 1567 CA ILE A 107 3.516 -1.229 3.833 1.00 0.00 C ATOM 1568 C ILE A 107 4.191 -0.906 5.150 1.00 0.00 C ATOM 1569 O ILE A 107 4.513 0.245 5.451 1.00 0.00 O ATOM 1570 CB ILE A 107 2.004 -1.420 4.063 1.00 0.00 C ATOM 1571 CG1 ILE A 107 1.278 -1.604 2.734 1.00 0.00 C ATOM 1572 CG2 ILE A 107 1.429 -0.245 4.825 1.00 0.00 C ATOM 1573 CD1 ILE A 107 -0.192 -1.912 2.899 1.00 0.00 C ATOM 0 H ILE A 107 3.552 -3.274 3.420 1.00 0.00 H new ATOM 0 HA ILE A 107 3.660 -0.408 3.131 1.00 0.00 H new ATOM 0 HB ILE A 107 1.859 -2.320 4.660 1.00 0.00 H new ATOM 0 HG12 ILE A 107 1.389 -0.698 2.138 1.00 0.00 H new ATOM 0 HG13 ILE A 107 1.752 -2.412 2.177 1.00 0.00 H new ATOM 0 HG21 ILE A 107 0.361 -0.398 4.978 1.00 0.00 H new ATOM 0 HG22 ILE A 107 1.925 -0.160 5.792 1.00 0.00 H new ATOM 0 HG23 ILE A 107 1.586 0.671 4.255 1.00 0.00 H new ATOM 0 HD11 ILE A 107 -0.651 -2.032 1.918 1.00 0.00 H new ATOM 0 HD12 ILE A 107 -0.309 -2.834 3.469 1.00 0.00 H new ATOM 0 HD13 ILE A 107 -0.678 -1.093 3.430 1.00 0.00 H new ATOM 1585 N LYS A 108 4.412 -1.949 5.922 1.00 0.00 N ATOM 1586 CA LYS A 108 5.054 -1.827 7.208 1.00 0.00 C ATOM 1587 C LYS A 108 6.569 -1.813 7.029 1.00 0.00 C ATOM 1588 O LYS A 108 7.281 -1.152 7.788 1.00 0.00 O ATOM 1589 CB LYS A 108 4.582 -2.983 8.104 1.00 0.00 C ATOM 1590 CG LYS A 108 5.184 -3.011 9.505 1.00 0.00 C ATOM 1591 CD LYS A 108 6.561 -3.660 9.521 1.00 0.00 C ATOM 1592 CE LYS A 108 6.491 -5.151 9.230 1.00 0.00 C ATOM 1593 NZ LYS A 108 7.843 -5.762 9.167 1.00 0.00 N ATOM 0 H LYS A 108 4.151 -2.903 5.674 1.00 0.00 H new ATOM 0 HA LYS A 108 4.781 -0.889 7.691 1.00 0.00 H new ATOM 0 HB2 LYS A 108 3.497 -2.931 8.194 1.00 0.00 H new ATOM 0 HB3 LYS A 108 4.816 -3.925 7.607 1.00 0.00 H new ATOM 0 HG2 LYS A 108 5.258 -1.993 9.888 1.00 0.00 H new ATOM 0 HG3 LYS A 108 4.519 -3.556 10.175 1.00 0.00 H new ATOM 0 HD2 LYS A 108 7.199 -3.176 8.781 1.00 0.00 H new ATOM 0 HD3 LYS A 108 7.025 -3.502 10.495 1.00 0.00 H new ATOM 0 HE2 LYS A 108 5.904 -5.646 10.004 1.00 0.00 H new ATOM 0 HE3 LYS A 108 5.974 -5.313 8.284 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 7.754 -6.787 9.018 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 8.377 -5.342 8.380 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 8.346 -5.585 10.060 1.00 0.00 H new ATOM 1607 N ALA A 109 7.040 -2.499 5.984 1.00 0.00 N ATOM 1608 CA ALA A 109 8.467 -2.642 5.713 1.00 0.00 C ATOM 1609 C ALA A 109 9.191 -3.259 6.907 1.00 0.00 C ATOM 1610 O ALA A 109 9.908 -2.529 7.626 1.00 0.00 O ATOM 1611 CB ALA A 109 9.081 -1.300 5.330 1.00 0.00 C ATOM 1612 OXT ALA A 109 9.031 -4.477 7.129 1.00 0.00 O ATOM 0 H ALA A 109 6.441 -2.969 5.305 1.00 0.00 H new ATOM 0 HA ALA A 109 8.586 -3.319 4.867 1.00 0.00 H new ATOM 0 HB1 ALA A 109 10.145 -1.430 5.132 1.00 0.00 H new ATOM 0 HB2 ALA A 109 8.590 -0.917 4.435 1.00 0.00 H new ATOM 0 HB3 ALA A 109 8.948 -0.592 6.148 1.00 0.00 H new