USER MOD reduce.3.24.130724 H: found=0, std=0, add=704, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 699 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 15 SER OG : rot 77:sc= 2.05 USER MOD Set 1.2: A 78 LYS NZ :NH3+ -146:sc= 0.877 (180deg=-0.911) USER MOD Set 2.1: A 2 HIS : no HE2:sc= 0.647 K(o=1.4,f=-0.33) USER MOD Set 2.2: A 5 THR OG1 : rot 126:sc= 0.748 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 MET CE :methyl 171:sc= 0 (180deg=-0.126) USER MOD Single : A 10 ASN : amide:sc= 0.89 K(o=0.89,f=-0.47) USER MOD Single : A 12 ASN : amide:sc= 0.065 K(o=0.065,f=-2.8!) USER MOD Single : A 14 HIS : no HE2:sc= -0.0859 K(o=-0.086,f=-3.1) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 MET CE :methyl 160:sc= -0.105 (180deg=-0.741) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 34 ASN : amide:sc= 0.593 K(o=0.59,f=-1.1) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 GLN : amide:sc= -0.402 X(o=-0.4,f=-0.2) USER MOD Single : A 43 THR OG1 : rot 180:sc= -0.224 USER MOD Single : A 44 GLN : amide:sc= 0.332 X(o=0.33,f=-0.14) USER MOD Single : A 46 ASN : amide:sc= 2.02 K(o=2,f=-6.5!) USER MOD Single : A 53 GLN : amide:sc= -1.07 K(o=-1.1,f=-3.3!) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0.00137 USER MOD Single : A 61 GLN : amide:sc= -0.276 X(o=-0.28,f=-0.068) USER MOD Single : A 64 GLN : amide:sc= -0.238 X(o=-0.24,f=0) USER MOD Single : A 67 GLN : amide:sc= 0 X(o=0,f=-0.47) USER MOD Single : A 70 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 74 THR OG1 : rot -140:sc= -0.0091 USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 86 LYS NZ :NH3+ 175:sc= 1.28 (180deg=1.21) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 11.044 17.244 -6.659 1.00 72.23 N ATOM 2 CA GLY A 1 11.566 16.721 -5.388 1.00 41.34 C ATOM 3 C GLY A 1 10.535 15.945 -4.588 1.00 4.32 C ATOM 4 O GLY A 1 10.507 16.086 -3.363 1.00 44.32 O ATOM 0 H1 GLY A 1 11.796 17.763 -7.156 1.00 72.23 H new ATOM 0 H2 GLY A 1 10.718 16.454 -7.252 1.00 72.23 H new ATOM 0 H3 GLY A 1 10.248 17.886 -6.470 1.00 72.23 H new ATOM 0 HA2 GLY A 1 12.419 16.074 -5.593 1.00 41.34 H new ATOM 0 HA3 GLY A 1 11.933 17.551 -4.785 1.00 41.34 H new ATOM 8 N HIS A 2 9.698 15.110 -5.217 1.00 31.31 N ATOM 9 CA HIS A 2 8.733 14.297 -4.488 1.00 34.21 C ATOM 10 C HIS A 2 9.475 13.322 -3.570 1.00 51.34 C ATOM 11 O HIS A 2 10.535 12.799 -3.927 1.00 62.41 O ATOM 12 CB HIS A 2 7.794 13.559 -5.453 1.00 51.42 C ATOM 13 CG HIS A 2 6.590 12.971 -4.766 1.00 64.02 C ATOM 14 ND1 HIS A 2 5.469 13.668 -4.379 1.00 43.31 N ATOM 15 CD2 HIS A 2 6.399 11.653 -4.448 1.00 52.45 C ATOM 16 CE1 HIS A 2 4.621 12.791 -3.815 1.00 21.44 C ATOM 17 NE2 HIS A 2 5.136 11.547 -3.856 1.00 34.11 N ATOM 0 H HIS A 2 9.674 14.984 -6.229 1.00 31.31 H new ATOM 0 HA HIS A 2 8.111 14.947 -3.873 1.00 34.21 H new ATOM 0 HB2 HIS A 2 7.462 14.250 -6.228 1.00 51.42 H new ATOM 0 HB3 HIS A 2 8.347 12.762 -5.951 1.00 51.42 H new ATOM 0 HD1 HIS A 2 5.310 14.668 -4.498 1.00 43.31 H new ATOM 0 HD2 HIS A 2 7.094 10.845 -4.622 1.00 52.45 H new ATOM 0 HE1 HIS A 2 3.662 13.047 -3.389 1.00 21.44 H new ATOM 25 N MET A 3 8.927 13.085 -2.385 1.00 72.05 N ATOM 26 CA MET A 3 9.409 12.108 -1.415 1.00 71.43 C ATOM 27 C MET A 3 9.183 10.679 -1.894 1.00 2.54 C ATOM 28 O MET A 3 8.880 10.439 -3.055 1.00 22.24 O ATOM 29 CB MET A 3 8.697 12.402 -0.078 1.00 45.14 C ATOM 30 CG MET A 3 9.286 13.628 0.625 1.00 70.35 C ATOM 31 SD MET A 3 8.187 14.500 1.779 1.00 53.25 S ATOM 32 CE MET A 3 7.380 13.126 2.641 1.00 52.32 C ATOM 0 H MET A 3 8.101 13.588 -2.060 1.00 72.05 H new ATOM 0 HA MET A 3 10.488 12.197 -1.286 1.00 71.43 H new ATOM 0 HB2 MET A 3 7.635 12.564 -0.260 1.00 45.14 H new ATOM 0 HB3 MET A 3 8.780 11.534 0.576 1.00 45.14 H new ATOM 0 HG2 MET A 3 10.176 13.315 1.171 1.00 70.35 H new ATOM 0 HG3 MET A 3 9.612 14.335 -0.137 1.00 70.35 H new ATOM 0 HE1 MET A 3 6.803 13.512 3.481 1.00 52.32 H new ATOM 0 HE2 MET A 3 6.714 12.605 1.953 1.00 52.32 H new ATOM 0 HE3 MET A 3 8.136 12.433 3.009 1.00 52.32 H new ATOM 42 N ASP A 4 9.437 9.727 -1.002 1.00 5.41 N ATOM 43 CA ASP A 4 9.351 8.297 -1.194 1.00 43.11 C ATOM 44 C ASP A 4 7.965 7.922 -0.700 1.00 14.42 C ATOM 45 O ASP A 4 7.704 7.863 0.510 1.00 31.04 O ATOM 46 CB ASP A 4 10.429 7.549 -0.398 1.00 53.42 C ATOM 47 CG ASP A 4 11.848 7.949 -0.776 1.00 62.34 C ATOM 48 OD1 ASP A 4 12.521 7.198 -1.506 1.00 52.24 O ATOM 49 OD2 ASP A 4 12.261 9.071 -0.390 1.00 10.31 O ATOM 0 H ASP A 4 9.731 9.962 -0.054 1.00 5.41 H new ATOM 0 HA ASP A 4 9.512 8.025 -2.237 1.00 43.11 H new ATOM 0 HB2 ASP A 4 10.279 7.734 0.666 1.00 53.42 H new ATOM 0 HB3 ASP A 4 10.308 6.477 -0.555 1.00 53.42 H new ATOM 54 N THR A 5 7.069 7.730 -1.654 1.00 32.21 N ATOM 55 CA THR A 5 5.718 7.244 -1.443 1.00 24.22 C ATOM 56 C THR A 5 5.632 5.887 -2.138 1.00 13.10 C ATOM 57 O THR A 5 5.578 5.806 -3.366 1.00 51.34 O ATOM 58 CB THR A 5 4.674 8.243 -1.971 1.00 50.14 C ATOM 59 OG1 THR A 5 4.924 9.568 -1.528 1.00 43.22 O ATOM 60 CG2 THR A 5 3.274 7.850 -1.488 1.00 43.51 C ATOM 0 H THR A 5 7.273 7.916 -2.636 1.00 32.21 H new ATOM 0 HA THR A 5 5.497 7.136 -0.381 1.00 24.22 H new ATOM 0 HB THR A 5 4.740 8.212 -3.059 1.00 50.14 H new ATOM 0 HG1 THR A 5 4.970 10.168 -2.301 1.00 43.22 H new ATOM 0 HG21 THR A 5 2.544 8.565 -1.868 1.00 43.51 H new ATOM 0 HG22 THR A 5 3.030 6.853 -1.853 1.00 43.51 H new ATOM 0 HG23 THR A 5 3.251 7.853 -0.398 1.00 43.51 H new ATOM 68 N ILE A 6 5.652 4.798 -1.372 1.00 13.34 N ATOM 69 CA ILE A 6 5.306 3.497 -1.934 1.00 44.23 C ATOM 70 C ILE A 6 3.785 3.530 -2.117 1.00 24.12 C ATOM 71 O ILE A 6 3.064 3.932 -1.202 1.00 5.52 O ATOM 72 CB ILE A 6 5.794 2.333 -1.044 1.00 2.22 C ATOM 73 CG1 ILE A 6 7.292 2.485 -0.691 1.00 64.14 C ATOM 74 CG2 ILE A 6 5.484 0.996 -1.738 1.00 74.03 C ATOM 75 CD1 ILE A 6 7.816 1.396 0.244 1.00 22.14 C ATOM 0 H ILE A 6 5.898 4.789 -0.382 1.00 13.34 H new ATOM 0 HA ILE A 6 5.803 3.316 -2.887 1.00 44.23 H new ATOM 0 HB ILE A 6 5.258 2.354 -0.095 1.00 2.22 H new ATOM 0 HG12 ILE A 6 7.876 2.473 -1.611 1.00 64.14 H new ATOM 0 HG13 ILE A 6 7.450 3.458 -0.226 1.00 64.14 H new ATOM 0 HG21 ILE A 6 5.828 0.173 -1.112 1.00 74.03 H new ATOM 0 HG22 ILE A 6 4.409 0.908 -1.895 1.00 74.03 H new ATOM 0 HG23 ILE A 6 5.995 0.958 -2.700 1.00 74.03 H new ATOM 0 HD11 ILE A 6 8.873 1.568 0.447 1.00 22.14 H new ATOM 0 HD12 ILE A 6 7.258 1.421 1.180 1.00 22.14 H new ATOM 0 HD13 ILE A 6 7.691 0.421 -0.227 1.00 22.14 H new ATOM 87 N ILE A 7 3.293 3.150 -3.289 1.00 51.41 N ATOM 88 CA ILE A 7 1.875 3.114 -3.624 1.00 62.32 C ATOM 89 C ILE A 7 1.488 1.634 -3.760 1.00 25.34 C ATOM 90 O ILE A 7 2.310 0.815 -4.167 1.00 32.00 O ATOM 91 CB ILE A 7 1.607 3.976 -4.889 1.00 31.01 C ATOM 92 CG1 ILE A 7 2.234 5.385 -4.737 1.00 61.03 C ATOM 93 CG2 ILE A 7 0.105 4.061 -5.225 1.00 42.42 C ATOM 94 CD1 ILE A 7 1.865 6.397 -5.830 1.00 74.02 C ATOM 0 H ILE A 7 3.890 2.848 -4.059 1.00 51.41 H new ATOM 0 HA ILE A 7 1.245 3.555 -2.852 1.00 62.32 H new ATOM 0 HB ILE A 7 2.089 3.479 -5.731 1.00 31.01 H new ATOM 0 HG12 ILE A 7 1.934 5.794 -3.772 1.00 61.03 H new ATOM 0 HG13 ILE A 7 3.319 5.280 -4.716 1.00 61.03 H new ATOM 0 HG21 ILE A 7 -0.034 4.673 -6.116 1.00 42.42 H new ATOM 0 HG22 ILE A 7 -0.284 3.059 -5.408 1.00 42.42 H new ATOM 0 HG23 ILE A 7 -0.430 4.511 -4.389 1.00 42.42 H new ATOM 0 HD11 ILE A 7 2.357 7.348 -5.626 1.00 74.02 H new ATOM 0 HD12 ILE A 7 2.191 6.020 -6.800 1.00 74.02 H new ATOM 0 HD13 ILE A 7 0.785 6.543 -5.841 1.00 74.02 H new ATOM 106 N LEU A 8 0.251 1.278 -3.413 1.00 74.05 N ATOM 107 CA LEU A 8 -0.338 -0.038 -3.667 1.00 1.12 C ATOM 108 C LEU A 8 -1.418 0.127 -4.730 1.00 70.34 C ATOM 109 O LEU A 8 -2.034 1.188 -4.786 1.00 5.53 O ATOM 110 CB LEU A 8 -1.020 -0.620 -2.421 1.00 32.31 C ATOM 111 CG LEU A 8 -0.125 -1.206 -1.322 1.00 72.03 C ATOM 112 CD1 LEU A 8 0.756 -0.167 -0.622 1.00 65.45 C ATOM 113 CD2 LEU A 8 -1.057 -1.835 -0.276 1.00 1.51 C ATOM 0 H LEU A 8 -0.387 1.914 -2.934 1.00 74.05 H new ATOM 0 HA LEU A 8 0.464 -0.709 -3.975 1.00 1.12 H new ATOM 0 HB2 LEU A 8 -1.627 0.167 -1.974 1.00 32.31 H new ATOM 0 HB3 LEU A 8 -1.704 -1.403 -2.749 1.00 32.31 H new ATOM 0 HG LEU A 8 0.552 -1.923 -1.786 1.00 72.03 H new ATOM 0 HD11 LEU A 8 1.360 -0.657 0.142 1.00 65.45 H new ATOM 0 HD12 LEU A 8 1.411 0.307 -1.353 1.00 65.45 H new ATOM 0 HD13 LEU A 8 0.125 0.590 -0.156 1.00 65.45 H new ATOM 0 HD21 LEU A 8 -0.462 -2.267 0.529 1.00 1.51 H new ATOM 0 HD22 LEU A 8 -1.717 -1.069 0.131 1.00 1.51 H new ATOM 0 HD23 LEU A 8 -1.655 -2.617 -0.745 1.00 1.51 H new ATOM 125 N ARG A 9 -1.763 -0.921 -5.485 1.00 44.34 N ATOM 126 CA ARG A 9 -2.886 -0.923 -6.442 1.00 51.45 C ATOM 127 C ARG A 9 -3.635 -2.249 -6.379 1.00 50.45 C ATOM 128 O ARG A 9 -3.182 -3.177 -5.714 1.00 70.03 O ATOM 129 CB ARG A 9 -2.400 -0.694 -7.883 1.00 44.51 C ATOM 130 CG ARG A 9 -1.608 0.590 -8.115 1.00 5.52 C ATOM 131 CD ARG A 9 -1.077 0.608 -9.563 1.00 23.32 C ATOM 132 NE ARG A 9 -2.067 1.197 -10.479 1.00 42.53 N ATOM 133 CZ ARG A 9 -2.408 2.491 -10.460 1.00 31.14 C ATOM 134 NH1 ARG A 9 -1.610 3.383 -9.878 1.00 73.01 N ATOM 135 NH2 ARG A 9 -3.574 2.870 -10.975 1.00 43.53 N ATOM 0 H ARG A 9 -1.264 -1.810 -5.451 1.00 44.34 H new ATOM 0 HA ARG A 9 -3.551 -0.106 -6.162 1.00 51.45 H new ATOM 0 HB2 ARG A 9 -1.780 -1.541 -8.177 1.00 44.51 H new ATOM 0 HB3 ARG A 9 -3.267 -0.689 -8.544 1.00 44.51 H new ATOM 0 HG2 ARG A 9 -2.242 1.459 -7.937 1.00 5.52 H new ATOM 0 HG3 ARG A 9 -0.778 0.651 -7.411 1.00 5.52 H new ATOM 0 HD2 ARG A 9 -0.150 1.179 -9.607 1.00 23.32 H new ATOM 0 HD3 ARG A 9 -0.841 -0.408 -9.881 1.00 23.32 H new ATOM 0 HE ARG A 9 -2.516 0.588 -11.163 1.00 42.53 H new ATOM 0 HH11 ARG A 9 -0.737 3.081 -9.446 1.00 73.01 H new ATOM 0 HH12 ARG A 9 -1.871 4.369 -9.864 1.00 73.01 H new ATOM 0 HH21 ARG A 9 -4.202 2.176 -11.381 1.00 43.53 H new ATOM 0 HH22 ARG A 9 -3.841 3.855 -10.964 1.00 43.53 H new ATOM 149 N ASN A 10 -4.745 -2.345 -7.113 1.00 54.11 N ATOM 150 CA ASN A 10 -5.631 -3.504 -7.196 1.00 34.21 C ATOM 151 C ASN A 10 -6.252 -3.855 -5.840 1.00 53.54 C ATOM 152 O ASN A 10 -6.472 -5.015 -5.509 1.00 33.31 O ATOM 153 CB ASN A 10 -4.957 -4.691 -7.913 1.00 50.24 C ATOM 154 CG ASN A 10 -5.978 -5.775 -8.247 1.00 31.01 C ATOM 155 OD1 ASN A 10 -6.984 -5.486 -8.887 1.00 53.23 O ATOM 156 ND2 ASN A 10 -5.754 -7.017 -7.860 1.00 14.51 N ATOM 0 H ASN A 10 -5.066 -1.573 -7.697 1.00 54.11 H new ATOM 0 HA ASN A 10 -6.476 -3.231 -7.828 1.00 34.21 H new ATOM 0 HB2 ASN A 10 -4.477 -4.344 -8.828 1.00 50.24 H new ATOM 0 HB3 ASN A 10 -4.173 -5.106 -7.280 1.00 50.24 H new ATOM 0 HD21 ASN A 10 -6.422 -7.752 -8.093 1.00 14.51 H new ATOM 0 HD22 ASN A 10 -4.913 -7.242 -7.328 1.00 14.51 H new ATOM 163 N LEU A 11 -6.537 -2.851 -5.009 1.00 3.14 N ATOM 164 CA LEU A 11 -7.312 -3.033 -3.796 1.00 30.31 C ATOM 165 C LEU A 11 -8.760 -3.267 -4.239 1.00 12.32 C ATOM 166 O LEU A 11 -9.301 -2.449 -4.986 1.00 65.03 O ATOM 167 CB LEU A 11 -7.206 -1.763 -2.938 1.00 50.23 C ATOM 168 CG LEU A 11 -5.826 -1.396 -2.353 1.00 11.43 C ATOM 169 CD1 LEU A 11 -5.462 -2.240 -1.131 1.00 74.24 C ATOM 170 CD2 LEU A 11 -4.632 -1.408 -3.300 1.00 32.22 C ATOM 0 H LEU A 11 -6.233 -1.890 -5.165 1.00 3.14 H new ATOM 0 HA LEU A 11 -6.953 -3.873 -3.201 1.00 30.31 H new ATOM 0 HB2 LEU A 11 -7.546 -0.922 -3.543 1.00 50.23 H new ATOM 0 HB3 LEU A 11 -7.905 -1.862 -2.107 1.00 50.23 H new ATOM 0 HG LEU A 11 -5.993 -0.352 -2.089 1.00 11.43 H new ATOM 0 HD11 LEU A 11 -4.482 -1.940 -0.760 1.00 74.24 H new ATOM 0 HD12 LEU A 11 -6.207 -2.089 -0.350 1.00 74.24 H new ATOM 0 HD13 LEU A 11 -5.437 -3.293 -1.411 1.00 74.24 H new ATOM 0 HD21 LEU A 11 -3.731 -1.131 -2.753 1.00 32.22 H new ATOM 0 HD22 LEU A 11 -4.510 -2.407 -3.719 1.00 32.22 H new ATOM 0 HD23 LEU A 11 -4.800 -0.695 -4.107 1.00 32.22 H new ATOM 182 N ASN A 12 -9.411 -4.329 -3.749 1.00 32.13 N ATOM 183 CA ASN A 12 -10.872 -4.449 -3.861 1.00 61.35 C ATOM 184 C ASN A 12 -11.468 -3.330 -3.027 1.00 72.33 C ATOM 185 O ASN A 12 -10.854 -2.993 -2.015 1.00 33.30 O ATOM 186 CB ASN A 12 -11.415 -5.777 -3.278 1.00 31.33 C ATOM 187 CG ASN A 12 -11.842 -6.790 -4.331 1.00 12.24 C ATOM 188 OD1 ASN A 12 -11.723 -6.564 -5.527 1.00 2.11 O ATOM 189 ND2 ASN A 12 -12.312 -7.944 -3.915 1.00 25.24 N ATOM 0 H ASN A 12 -8.957 -5.110 -3.276 1.00 32.13 H new ATOM 0 HA ASN A 12 -11.136 -4.408 -4.918 1.00 61.35 H new ATOM 0 HB2 ASN A 12 -10.647 -6.226 -2.648 1.00 31.33 H new ATOM 0 HB3 ASN A 12 -12.267 -5.557 -2.634 1.00 31.33 H new ATOM 0 HD21 ASN A 12 -12.581 -8.659 -4.591 1.00 25.24 H new ATOM 0 HD22 ASN A 12 -12.408 -8.125 -2.916 1.00 25.24 H new ATOM 196 N PRO A 13 -12.680 -2.852 -3.316 1.00 30.00 N ATOM 197 CA PRO A 13 -13.386 -1.890 -2.479 1.00 33.24 C ATOM 198 C PRO A 13 -13.656 -2.418 -1.065 1.00 65.43 C ATOM 199 O PRO A 13 -13.715 -1.598 -0.155 1.00 31.32 O ATOM 200 CB PRO A 13 -14.672 -1.589 -3.250 1.00 13.12 C ATOM 201 CG PRO A 13 -14.885 -2.780 -4.178 1.00 24.10 C ATOM 202 CD PRO A 13 -13.471 -3.247 -4.466 1.00 24.12 C ATOM 0 HA PRO A 13 -12.794 -0.992 -2.305 1.00 33.24 H new ATOM 0 HB2 PRO A 13 -15.516 -1.466 -2.571 1.00 13.12 H new ATOM 0 HB3 PRO A 13 -14.581 -0.662 -3.817 1.00 13.12 H new ATOM 0 HG2 PRO A 13 -15.479 -3.561 -3.702 1.00 24.10 H new ATOM 0 HG3 PRO A 13 -15.408 -2.492 -5.090 1.00 24.10 H new ATOM 0 HD2 PRO A 13 -13.438 -4.327 -4.610 1.00 24.12 H new ATOM 0 HD3 PRO A 13 -13.088 -2.791 -5.379 1.00 24.12 H new ATOM 210 N HIS A 14 -13.699 -3.742 -0.850 1.00 73.05 N ATOM 211 CA HIS A 14 -13.745 -4.339 0.488 1.00 73.14 C ATOM 212 C HIS A 14 -12.517 -3.984 1.339 1.00 34.04 C ATOM 213 O HIS A 14 -12.586 -4.013 2.568 1.00 43.43 O ATOM 214 CB HIS A 14 -13.754 -5.873 0.386 1.00 22.12 C ATOM 215 CG HIS A 14 -14.963 -6.541 -0.207 1.00 13.21 C ATOM 216 ND1 HIS A 14 -15.061 -7.893 -0.439 1.00 21.42 N ATOM 217 CD2 HIS A 14 -16.168 -5.977 -0.523 1.00 44.14 C ATOM 218 CE1 HIS A 14 -16.306 -8.159 -0.858 1.00 2.24 C ATOM 219 NE2 HIS A 14 -17.009 -7.016 -0.932 1.00 25.04 N ATOM 0 H HIS A 14 -13.703 -4.429 -1.604 1.00 73.05 H new ATOM 0 HA HIS A 14 -14.649 -3.945 0.953 1.00 73.14 H new ATOM 0 HB2 HIS A 14 -12.887 -6.172 -0.203 1.00 22.12 H new ATOM 0 HB3 HIS A 14 -13.612 -6.274 1.390 1.00 22.12 H new ATOM 0 HD1 HIS A 14 -14.314 -8.576 -0.314 1.00 21.42 H new ATOM 0 HD2 HIS A 14 -16.422 -4.929 -0.467 1.00 44.14 H new ATOM 0 HE1 HIS A 14 -16.686 -9.141 -1.099 1.00 2.24 H new ATOM 227 N SER A 15 -11.367 -3.725 0.706 1.00 31.01 N ATOM 228 CA SER A 15 -10.141 -3.438 1.431 1.00 63.14 C ATOM 229 C SER A 15 -10.346 -2.149 2.233 1.00 42.14 C ATOM 230 O SER A 15 -11.053 -1.238 1.786 1.00 31.33 O ATOM 231 CB SER A 15 -8.936 -3.316 0.483 1.00 34.42 C ATOM 232 OG SER A 15 -8.982 -4.192 -0.635 1.00 5.20 O ATOM 0 H SER A 15 -11.268 -3.710 -0.309 1.00 31.01 H new ATOM 0 HA SER A 15 -9.919 -4.264 2.107 1.00 63.14 H new ATOM 0 HB2 SER A 15 -8.874 -2.289 0.123 1.00 34.42 H new ATOM 0 HB3 SER A 15 -8.024 -3.512 1.046 1.00 34.42 H new ATOM 0 HG SER A 15 -9.612 -3.842 -1.299 1.00 5.20 H new ATOM 238 N THR A 16 -9.703 -2.059 3.392 1.00 44.11 N ATOM 239 CA THR A 16 -9.831 -0.919 4.280 1.00 34.32 C ATOM 240 C THR A 16 -8.417 -0.461 4.633 1.00 5.24 C ATOM 241 O THR A 16 -7.861 0.358 3.905 1.00 51.41 O ATOM 242 CB THR A 16 -10.822 -1.281 5.412 1.00 2.40 C ATOM 243 OG1 THR A 16 -10.843 -0.297 6.423 1.00 73.02 O ATOM 244 CG2 THR A 16 -10.625 -2.662 6.061 1.00 4.10 C ATOM 0 H THR A 16 -9.075 -2.783 3.740 1.00 44.11 H new ATOM 0 HA THR A 16 -10.292 -0.031 3.848 1.00 34.32 H new ATOM 0 HB THR A 16 -11.780 -1.324 4.895 1.00 2.40 H new ATOM 0 HG1 THR A 16 -11.481 -0.558 7.120 1.00 73.02 H new ATOM 0 HG21 THR A 16 -11.374 -2.808 6.840 1.00 4.10 H new ATOM 0 HG22 THR A 16 -10.733 -3.439 5.304 1.00 4.10 H new ATOM 0 HG23 THR A 16 -9.629 -2.719 6.500 1.00 4.10 H new ATOM 252 N MET A 17 -7.771 -1.032 5.647 1.00 72.33 N ATOM 253 CA MET A 17 -6.389 -0.767 6.030 1.00 34.40 C ATOM 254 C MET A 17 -5.888 -1.953 6.832 1.00 41.43 C ATOM 255 O MET A 17 -5.027 -2.696 6.379 1.00 22.30 O ATOM 256 CB MET A 17 -6.355 0.527 6.861 1.00 72.43 C ATOM 257 CG MET A 17 -4.986 0.861 7.459 1.00 62.23 C ATOM 258 SD MET A 17 -5.015 2.302 8.562 1.00 52.51 S ATOM 259 CE MET A 17 -6.088 1.726 9.914 1.00 23.20 C ATOM 0 H MET A 17 -8.218 -1.723 6.250 1.00 72.33 H new ATOM 0 HA MET A 17 -5.746 -0.635 5.160 1.00 34.40 H new ATOM 0 HB2 MET A 17 -6.675 1.357 6.231 1.00 72.43 H new ATOM 0 HB3 MET A 17 -7.080 0.443 7.670 1.00 72.43 H new ATOM 0 HG2 MET A 17 -4.618 -0.003 8.012 1.00 62.23 H new ATOM 0 HG3 MET A 17 -4.279 1.046 6.650 1.00 62.23 H new ATOM 0 HE1 MET A 17 -5.915 2.336 10.801 1.00 23.20 H new ATOM 0 HE2 MET A 17 -7.132 1.812 9.612 1.00 23.20 H new ATOM 0 HE3 MET A 17 -5.861 0.684 10.140 1.00 23.20 H new ATOM 269 N ASP A 18 -6.459 -2.145 8.011 1.00 74.01 N ATOM 270 CA ASP A 18 -6.066 -3.141 8.990 1.00 12.20 C ATOM 271 C ASP A 18 -6.216 -4.560 8.441 1.00 72.24 C ATOM 272 O ASP A 18 -5.418 -5.440 8.748 1.00 72.25 O ATOM 273 CB ASP A 18 -6.951 -2.932 10.212 1.00 54.42 C ATOM 274 CG ASP A 18 -6.577 -3.929 11.288 1.00 34.21 C ATOM 275 OD1 ASP A 18 -7.326 -4.923 11.427 1.00 64.21 O ATOM 276 OD2 ASP A 18 -5.530 -3.718 11.945 1.00 53.33 O ATOM 0 H ASP A 18 -7.249 -1.581 8.325 1.00 74.01 H new ATOM 0 HA ASP A 18 -5.013 -3.025 9.247 1.00 12.20 H new ATOM 0 HB2 ASP A 18 -6.835 -1.916 10.588 1.00 54.42 H new ATOM 0 HB3 ASP A 18 -7.999 -3.053 9.939 1.00 54.42 H new ATOM 281 N SER A 19 -7.193 -4.747 7.552 1.00 14.13 N ATOM 282 CA SER A 19 -7.410 -5.959 6.770 1.00 30.10 C ATOM 283 C SER A 19 -6.136 -6.320 5.994 1.00 32.44 C ATOM 284 O SER A 19 -5.689 -7.464 5.989 1.00 30.04 O ATOM 285 CB SER A 19 -8.595 -5.668 5.834 1.00 5.10 C ATOM 286 OG SER A 19 -8.917 -6.727 4.960 1.00 13.23 O ATOM 0 H SER A 19 -7.884 -4.024 7.351 1.00 14.13 H new ATOM 0 HA SER A 19 -7.638 -6.817 7.402 1.00 30.10 H new ATOM 0 HB2 SER A 19 -9.471 -5.432 6.438 1.00 5.10 H new ATOM 0 HB3 SER A 19 -8.367 -4.781 5.243 1.00 5.10 H new ATOM 0 HG SER A 19 -9.679 -6.469 4.400 1.00 13.23 H new ATOM 292 N ILE A 20 -5.539 -5.322 5.344 1.00 74.33 N ATOM 293 CA ILE A 20 -4.375 -5.465 4.494 1.00 72.15 C ATOM 294 C ILE A 20 -3.174 -5.737 5.391 1.00 63.03 C ATOM 295 O ILE A 20 -2.440 -6.680 5.122 1.00 64.41 O ATOM 296 CB ILE A 20 -4.203 -4.220 3.597 1.00 10.50 C ATOM 297 CG1 ILE A 20 -5.473 -3.933 2.767 1.00 73.41 C ATOM 298 CG2 ILE A 20 -3.008 -4.397 2.648 1.00 11.20 C ATOM 299 CD1 ILE A 20 -5.514 -2.463 2.357 1.00 45.14 C ATOM 0 H ILE A 20 -5.871 -4.359 5.402 1.00 74.33 H new ATOM 0 HA ILE A 20 -4.486 -6.304 3.807 1.00 72.15 H new ATOM 0 HB ILE A 20 -4.023 -3.373 4.259 1.00 10.50 H new ATOM 0 HG12 ILE A 20 -5.487 -4.566 1.880 1.00 73.41 H new ATOM 0 HG13 ILE A 20 -6.361 -4.181 3.349 1.00 73.41 H new ATOM 0 HG21 ILE A 20 -2.904 -3.509 2.025 1.00 11.20 H new ATOM 0 HG22 ILE A 20 -2.098 -4.540 3.231 1.00 11.20 H new ATOM 0 HG23 ILE A 20 -3.173 -5.268 2.014 1.00 11.20 H new ATOM 0 HD11 ILE A 20 -6.414 -2.273 1.772 1.00 45.14 H new ATOM 0 HD12 ILE A 20 -5.522 -1.837 3.249 1.00 45.14 H new ATOM 0 HD13 ILE A 20 -4.635 -2.228 1.757 1.00 45.14 H new ATOM 311 N LEU A 21 -2.986 -4.963 6.467 1.00 73.12 N ATOM 312 CA LEU A 21 -1.897 -5.194 7.417 1.00 24.12 C ATOM 313 C LEU A 21 -2.012 -6.564 8.098 1.00 12.14 C ATOM 314 O LEU A 21 -1.027 -7.025 8.657 1.00 12.24 O ATOM 315 CB LEU A 21 -1.815 -4.078 8.484 1.00 24.44 C ATOM 316 CG LEU A 21 -1.092 -2.770 8.095 1.00 3.50 C ATOM 317 CD1 LEU A 21 0.353 -2.996 7.622 1.00 34.11 C ATOM 318 CD2 LEU A 21 -1.854 -1.944 7.053 1.00 41.51 C ATOM 0 H LEU A 21 -3.580 -4.167 6.700 1.00 73.12 H new ATOM 0 HA LEU A 21 -0.976 -5.178 6.834 1.00 24.12 H new ATOM 0 HB2 LEU A 21 -2.832 -3.824 8.783 1.00 24.44 H new ATOM 0 HB3 LEU A 21 -1.317 -4.489 9.362 1.00 24.44 H new ATOM 0 HG LEU A 21 -1.060 -2.197 9.022 1.00 3.50 H new ATOM 0 HD11 LEU A 21 0.805 -2.038 7.364 1.00 34.11 H new ATOM 0 HD12 LEU A 21 0.928 -3.465 8.420 1.00 34.11 H new ATOM 0 HD13 LEU A 21 0.352 -3.645 6.746 1.00 34.11 H new ATOM 0 HD21 LEU A 21 -1.292 -1.039 6.824 1.00 41.51 H new ATOM 0 HD22 LEU A 21 -1.980 -2.532 6.144 1.00 41.51 H new ATOM 0 HD23 LEU A 21 -2.833 -1.673 7.449 1.00 41.51 H new ATOM 330 N GLY A 22 -3.163 -7.240 8.044 1.00 54.34 N ATOM 331 CA GLY A 22 -3.308 -8.555 8.644 1.00 42.35 C ATOM 332 C GLY A 22 -2.711 -9.682 7.799 1.00 63.02 C ATOM 333 O GLY A 22 -2.418 -10.743 8.359 1.00 10.21 O ATOM 0 H GLY A 22 -4.006 -6.891 7.588 1.00 54.34 H new ATOM 0 HA2 GLY A 22 -2.829 -8.553 9.623 1.00 42.35 H new ATOM 0 HA3 GLY A 22 -4.367 -8.756 8.807 1.00 42.35 H new ATOM 337 N ALA A 23 -2.523 -9.476 6.487 1.00 25.43 N ATOM 338 CA ALA A 23 -2.085 -10.518 5.548 1.00 34.41 C ATOM 339 C ALA A 23 -0.892 -10.082 4.699 1.00 65.01 C ATOM 340 O ALA A 23 0.025 -10.866 4.443 1.00 50.42 O ATOM 341 CB ALA A 23 -3.254 -10.893 4.636 1.00 42.55 C ATOM 0 H ALA A 23 -2.673 -8.570 6.043 1.00 25.43 H new ATOM 0 HA ALA A 23 -1.762 -11.377 6.136 1.00 34.41 H new ATOM 0 HB1 ALA A 23 -2.936 -11.666 3.936 1.00 42.55 H new ATOM 0 HB2 ALA A 23 -4.081 -11.268 5.240 1.00 42.55 H new ATOM 0 HB3 ALA A 23 -3.579 -10.013 4.081 1.00 42.55 H new ATOM 347 N LEU A 24 -0.900 -8.823 4.265 1.00 41.51 N ATOM 348 CA LEU A 24 0.151 -8.160 3.506 1.00 25.33 C ATOM 349 C LEU A 24 1.193 -7.568 4.466 1.00 5.53 C ATOM 350 O LEU A 24 1.848 -6.574 4.140 1.00 63.32 O ATOM 351 CB LEU A 24 -0.487 -7.094 2.594 1.00 11.41 C ATOM 352 CG LEU A 24 0.372 -6.642 1.394 1.00 64.23 C ATOM 353 CD1 LEU A 24 0.525 -7.750 0.348 1.00 3.33 C ATOM 354 CD2 LEU A 24 -0.298 -5.433 0.732 1.00 3.44 C ATOM 0 H LEU A 24 -1.690 -8.204 4.447 1.00 41.51 H new ATOM 0 HA LEU A 24 0.675 -8.873 2.870 1.00 25.33 H new ATOM 0 HB2 LEU A 24 -1.432 -7.484 2.215 1.00 11.41 H new ATOM 0 HB3 LEU A 24 -0.723 -6.219 3.199 1.00 11.41 H new ATOM 0 HG LEU A 24 1.364 -6.389 1.769 1.00 64.23 H new ATOM 0 HD11 LEU A 24 1.137 -7.388 -0.478 1.00 3.33 H new ATOM 0 HD12 LEU A 24 1.006 -8.616 0.803 1.00 3.33 H new ATOM 0 HD13 LEU A 24 -0.458 -8.035 -0.026 1.00 3.33 H new ATOM 0 HD21 LEU A 24 0.301 -5.105 -0.118 1.00 3.44 H new ATOM 0 HD22 LEU A 24 -1.294 -5.712 0.388 1.00 3.44 H new ATOM 0 HD23 LEU A 24 -0.378 -4.621 1.454 1.00 3.44 H new ATOM 366 N ALA A 25 1.406 -8.185 5.633 1.00 52.32 N ATOM 367 CA ALA A 25 2.539 -7.897 6.502 1.00 44.21 C ATOM 368 C ALA A 25 3.500 -9.108 6.629 1.00 42.31 C ATOM 369 O ALA A 25 3.866 -9.478 7.741 1.00 14.23 O ATOM 370 CB ALA A 25 1.927 -7.494 7.837 1.00 4.41 C ATOM 0 H ALA A 25 0.785 -8.907 6.000 1.00 52.32 H new ATOM 0 HA ALA A 25 3.164 -7.101 6.098 1.00 44.21 H new ATOM 0 HB1 ALA A 25 2.722 -7.261 8.546 1.00 4.41 H new ATOM 0 HB2 ALA A 25 1.296 -6.616 7.698 1.00 4.41 H new ATOM 0 HB3 ALA A 25 1.325 -8.316 8.224 1.00 4.41 H new ATOM 376 N PRO A 26 4.004 -9.702 5.527 1.00 24.41 N ATOM 377 CA PRO A 26 5.048 -10.718 5.590 1.00 21.21 C ATOM 378 C PRO A 26 6.445 -10.154 5.884 1.00 65.12 C ATOM 379 O PRO A 26 7.260 -10.870 6.474 1.00 13.14 O ATOM 380 CB PRO A 26 5.021 -11.416 4.226 1.00 62.05 C ATOM 381 CG PRO A 26 4.421 -10.387 3.278 1.00 12.44 C ATOM 382 CD PRO A 26 3.457 -9.651 4.184 1.00 71.32 C ATOM 0 HA PRO A 26 4.851 -11.398 6.419 1.00 21.21 H new ATOM 0 HB2 PRO A 26 6.023 -11.708 3.911 1.00 62.05 H new ATOM 0 HB3 PRO A 26 4.419 -12.324 4.258 1.00 62.05 H new ATOM 0 HG2 PRO A 26 5.179 -9.723 2.863 1.00 12.44 H new ATOM 0 HG3 PRO A 26 3.912 -10.856 2.435 1.00 12.44 H new ATOM 0 HD2 PRO A 26 3.335 -8.618 3.858 1.00 71.32 H new ATOM 0 HD3 PRO A 26 2.471 -10.114 4.153 1.00 71.32 H new ATOM 390 N TYR A 27 6.762 -8.916 5.469 1.00 74.05 N ATOM 391 CA TYR A 27 8.125 -8.382 5.553 1.00 72.44 C ATOM 392 C TYR A 27 8.163 -6.917 5.986 1.00 53.15 C ATOM 393 O TYR A 27 9.185 -6.455 6.487 1.00 51.45 O ATOM 394 CB TYR A 27 8.828 -8.490 4.191 1.00 61.23 C ATOM 395 CG TYR A 27 8.612 -9.761 3.401 1.00 34.11 C ATOM 396 CD1 TYR A 27 9.377 -10.903 3.676 1.00 45.53 C ATOM 397 CD2 TYR A 27 7.655 -9.795 2.373 1.00 23.11 C ATOM 398 CE1 TYR A 27 9.152 -12.084 2.953 1.00 62.34 C ATOM 399 CE2 TYR A 27 7.399 -10.982 1.670 1.00 1.13 C ATOM 400 CZ TYR A 27 8.144 -12.144 1.966 1.00 33.10 C ATOM 401 OH TYR A 27 7.892 -13.314 1.319 1.00 63.01 O ATOM 0 H TYR A 27 6.085 -8.265 5.070 1.00 74.05 H new ATOM 0 HA TYR A 27 8.636 -8.981 6.307 1.00 72.44 H new ATOM 0 HB2 TYR A 27 8.504 -7.651 3.576 1.00 61.23 H new ATOM 0 HB3 TYR A 27 9.899 -8.371 4.353 1.00 61.23 H new ATOM 0 HD1 TYR A 27 10.137 -10.874 4.442 1.00 45.53 H new ATOM 0 HD2 TYR A 27 7.110 -8.897 2.121 1.00 23.11 H new ATOM 0 HE1 TYR A 27 9.756 -12.956 3.153 1.00 62.34 H new ATOM 0 HE2 TYR A 27 6.636 -11.007 0.906 1.00 1.13 H new ATOM 0 HH TYR A 27 7.168 -13.181 0.672 1.00 63.01 H new ATOM 411 N ALA A 28 7.088 -6.164 5.752 1.00 65.25 N ATOM 412 CA ALA A 28 7.039 -4.725 5.932 1.00 1.54 C ATOM 413 C ALA A 28 5.706 -4.385 6.583 1.00 2.54 C ATOM 414 O ALA A 28 4.647 -4.644 5.995 1.00 12.33 O ATOM 415 CB ALA A 28 7.184 -4.051 4.569 1.00 53.53 C ATOM 0 H ALA A 28 6.206 -6.556 5.423 1.00 65.25 H new ATOM 0 HA ALA A 28 7.849 -4.371 6.570 1.00 1.54 H new ATOM 0 HB1 ALA A 28 7.148 -2.969 4.693 1.00 53.53 H new ATOM 0 HB2 ALA A 28 8.137 -4.334 4.123 1.00 53.53 H new ATOM 0 HB3 ALA A 28 6.370 -4.369 3.918 1.00 53.53 H new ATOM 421 N VAL A 29 5.737 -3.880 7.809 1.00 52.45 N ATOM 422 CA VAL A 29 4.578 -3.875 8.684 1.00 3.14 C ATOM 423 C VAL A 29 4.419 -2.468 9.252 1.00 14.20 C ATOM 424 O VAL A 29 4.963 -2.137 10.306 1.00 70.14 O ATOM 425 CB VAL A 29 4.704 -4.995 9.741 1.00 33.30 C ATOM 426 CG1 VAL A 29 3.347 -5.189 10.424 1.00 65.24 C ATOM 427 CG2 VAL A 29 5.174 -6.330 9.126 1.00 43.51 C ATOM 0 H VAL A 29 6.570 -3.462 8.223 1.00 52.45 H new ATOM 0 HA VAL A 29 3.658 -4.105 8.146 1.00 3.14 H new ATOM 0 HB VAL A 29 5.459 -4.691 10.466 1.00 33.30 H new ATOM 0 HG11 VAL A 29 3.426 -5.978 11.172 1.00 65.24 H new ATOM 0 HG12 VAL A 29 3.047 -4.259 10.907 1.00 65.24 H new ATOM 0 HG13 VAL A 29 2.602 -5.468 9.679 1.00 65.24 H new ATOM 0 HG21 VAL A 29 5.247 -7.085 9.908 1.00 43.51 H new ATOM 0 HG22 VAL A 29 4.457 -6.656 8.373 1.00 43.51 H new ATOM 0 HG23 VAL A 29 6.151 -6.193 8.662 1.00 43.51 H new ATOM 437 N LEU A 30 3.698 -1.626 8.509 1.00 10.23 N ATOM 438 CA LEU A 30 3.441 -0.244 8.918 1.00 70.24 C ATOM 439 C LEU A 30 2.648 -0.175 10.223 1.00 50.24 C ATOM 440 O LEU A 30 1.935 -1.116 10.588 1.00 4.23 O ATOM 441 CB LEU A 30 2.643 0.539 7.856 1.00 33.10 C ATOM 442 CG LEU A 30 3.317 0.857 6.515 1.00 44.42 C ATOM 443 CD1 LEU A 30 4.764 1.335 6.677 1.00 31.23 C ATOM 444 CD2 LEU A 30 3.226 -0.327 5.556 1.00 4.13 C ATOM 0 H LEU A 30 3.279 -1.880 7.614 1.00 10.23 H new ATOM 0 HA LEU A 30 4.426 0.204 9.049 1.00 70.24 H new ATOM 0 HB2 LEU A 30 1.734 -0.024 7.644 1.00 33.10 H new ATOM 0 HB3 LEU A 30 2.335 1.484 8.304 1.00 33.10 H new ATOM 0 HG LEU A 30 2.765 1.689 6.079 1.00 44.42 H new ATOM 0 HD11 LEU A 30 5.190 1.545 5.696 1.00 31.23 H new ATOM 0 HD12 LEU A 30 4.782 2.242 7.282 1.00 31.23 H new ATOM 0 HD13 LEU A 30 5.351 0.559 7.169 1.00 31.23 H new ATOM 0 HD21 LEU A 30 3.712 -0.071 4.615 1.00 4.13 H new ATOM 0 HD22 LEU A 30 3.722 -1.192 5.997 1.00 4.13 H new ATOM 0 HD23 LEU A 30 2.179 -0.565 5.370 1.00 4.13 H new ATOM 456 N SER A 31 2.621 1.016 10.822 1.00 10.33 N ATOM 457 CA SER A 31 1.736 1.375 11.928 1.00 62.03 C ATOM 458 C SER A 31 0.311 1.670 11.436 1.00 53.45 C ATOM 459 O SER A 31 -0.380 2.523 11.990 1.00 23.10 O ATOM 460 CB SER A 31 2.339 2.570 12.681 1.00 13.44 C ATOM 461 OG SER A 31 3.514 2.168 13.349 1.00 62.03 O ATOM 0 H SER A 31 3.234 1.781 10.541 1.00 10.33 H new ATOM 0 HA SER A 31 1.654 0.530 12.612 1.00 62.03 H new ATOM 0 HB2 SER A 31 2.564 3.376 11.983 1.00 13.44 H new ATOM 0 HB3 SER A 31 1.618 2.962 13.398 1.00 13.44 H new ATOM 0 HG SER A 31 3.897 2.933 13.827 1.00 62.03 H new ATOM 467 N SER A 32 -0.173 0.958 10.417 1.00 31.23 N ATOM 468 CA SER A 32 -1.482 1.102 9.794 1.00 32.00 C ATOM 469 C SER A 32 -1.661 2.475 9.124 1.00 65.32 C ATOM 470 O SER A 32 -1.680 2.527 7.897 1.00 22.10 O ATOM 471 CB SER A 32 -2.622 0.727 10.761 1.00 41.12 C ATOM 472 OG SER A 32 -2.331 -0.416 11.559 1.00 34.33 O ATOM 0 H SER A 32 0.377 0.219 9.980 1.00 31.23 H new ATOM 0 HA SER A 32 -1.538 0.379 8.980 1.00 32.00 H new ATOM 0 HB2 SER A 32 -2.828 1.575 11.414 1.00 41.12 H new ATOM 0 HB3 SER A 32 -3.529 0.539 10.187 1.00 41.12 H new ATOM 0 HG SER A 32 -3.089 -0.603 12.152 1.00 34.33 H new ATOM 478 N SER A 33 -1.785 3.580 9.869 1.00 4.10 N ATOM 479 CA SER A 33 -2.188 4.881 9.339 1.00 10.34 C ATOM 480 C SER A 33 -1.167 5.459 8.348 1.00 1.23 C ATOM 481 O SER A 33 -1.581 6.202 7.455 1.00 22.31 O ATOM 482 CB SER A 33 -2.472 5.849 10.496 1.00 22.00 C ATOM 483 OG SER A 33 -3.602 6.678 10.252 1.00 2.13 O ATOM 0 H SER A 33 -1.604 3.592 10.873 1.00 4.10 H new ATOM 0 HA SER A 33 -3.105 4.739 8.767 1.00 10.34 H new ATOM 0 HB2 SER A 33 -2.636 5.278 11.410 1.00 22.00 H new ATOM 0 HB3 SER A 33 -1.596 6.476 10.664 1.00 22.00 H new ATOM 0 HG SER A 33 -3.742 7.274 11.017 1.00 2.13 H new ATOM 489 N ASN A 34 0.119 5.076 8.416 1.00 54.24 N ATOM 490 CA ASN A 34 1.137 5.368 7.404 1.00 71.05 C ATOM 491 C ASN A 34 0.657 4.995 6.004 1.00 33.43 C ATOM 492 O ASN A 34 1.099 5.603 5.036 1.00 53.35 O ATOM 493 CB ASN A 34 2.407 4.539 7.687 1.00 24.04 C ATOM 494 CG ASN A 34 3.200 5.034 8.876 1.00 51.33 C ATOM 495 OD1 ASN A 34 2.898 4.655 9.995 1.00 54.52 O ATOM 496 ND2 ASN A 34 4.245 5.814 8.687 1.00 44.14 N ATOM 0 H ASN A 34 0.485 4.539 9.202 1.00 54.24 H new ATOM 0 HA ASN A 34 1.340 6.438 7.451 1.00 71.05 H new ATOM 0 HB2 ASN A 34 2.123 3.501 7.857 1.00 24.04 H new ATOM 0 HB3 ASN A 34 3.045 4.554 6.803 1.00 24.04 H new ATOM 0 HD21 ASN A 34 4.812 6.108 9.482 1.00 44.14 H new ATOM 0 HD22 ASN A 34 4.487 6.124 7.746 1.00 44.14 H new ATOM 503 N VAL A 35 -0.211 3.985 5.888 1.00 24.11 N ATOM 504 CA VAL A 35 -0.910 3.630 4.670 1.00 32.42 C ATOM 505 C VAL A 35 -2.113 4.576 4.530 1.00 64.15 C ATOM 506 O VAL A 35 -3.205 4.297 5.029 1.00 31.10 O ATOM 507 CB VAL A 35 -1.317 2.139 4.704 1.00 65.33 C ATOM 508 CG1 VAL A 35 -1.856 1.735 3.327 1.00 21.22 C ATOM 509 CG2 VAL A 35 -0.153 1.208 5.079 1.00 51.14 C ATOM 0 H VAL A 35 -0.448 3.377 6.672 1.00 24.11 H new ATOM 0 HA VAL A 35 -0.271 3.748 3.795 1.00 32.42 H new ATOM 0 HB VAL A 35 -2.080 2.030 5.475 1.00 65.33 H new ATOM 0 HG11 VAL A 35 -2.145 0.684 3.343 1.00 21.22 H new ATOM 0 HG12 VAL A 35 -2.725 2.347 3.082 1.00 21.22 H new ATOM 0 HG13 VAL A 35 -1.082 1.887 2.575 1.00 21.22 H new ATOM 0 HG21 VAL A 35 -0.501 0.175 5.086 1.00 51.14 H new ATOM 0 HG22 VAL A 35 0.649 1.316 4.349 1.00 51.14 H new ATOM 0 HG23 VAL A 35 0.220 1.472 6.069 1.00 51.14 H new ATOM 519 N ARG A 36 -1.948 5.701 3.836 1.00 14.24 N ATOM 520 CA ARG A 36 -3.047 6.580 3.445 1.00 45.45 C ATOM 521 C ARG A 36 -3.958 5.814 2.492 1.00 1.52 C ATOM 522 O ARG A 36 -3.578 5.525 1.357 1.00 31.33 O ATOM 523 CB ARG A 36 -2.521 7.899 2.832 1.00 23.23 C ATOM 524 CG ARG A 36 -3.431 9.130 3.023 1.00 22.21 C ATOM 525 CD ARG A 36 -4.826 9.019 2.386 1.00 1.32 C ATOM 526 NE ARG A 36 -5.591 10.277 2.495 1.00 33.03 N ATOM 527 CZ ARG A 36 -6.193 10.771 3.589 1.00 12.11 C ATOM 528 NH1 ARG A 36 -6.187 10.097 4.735 1.00 3.33 N ATOM 529 NH2 ARG A 36 -6.786 11.961 3.551 1.00 51.21 N ATOM 0 H ARG A 36 -1.034 6.031 3.526 1.00 14.24 H new ATOM 0 HA ARG A 36 -3.623 6.873 4.323 1.00 45.45 H new ATOM 0 HB2 ARG A 36 -1.546 8.118 3.268 1.00 23.23 H new ATOM 0 HB3 ARG A 36 -2.365 7.746 1.764 1.00 23.23 H new ATOM 0 HG2 ARG A 36 -3.550 9.311 4.091 1.00 22.21 H new ATOM 0 HG3 ARG A 36 -2.927 10.002 2.606 1.00 22.21 H new ATOM 0 HD2 ARG A 36 -4.723 8.748 1.335 1.00 1.32 H new ATOM 0 HD3 ARG A 36 -5.381 8.215 2.869 1.00 1.32 H new ATOM 0 HE ARG A 36 -5.671 10.833 1.644 1.00 33.03 H new ATOM 0 HH11 ARG A 36 -5.721 9.192 4.792 1.00 3.33 H new ATOM 0 HH12 ARG A 36 -6.649 10.485 5.557 1.00 3.33 H new ATOM 0 HH21 ARG A 36 -6.785 12.504 2.687 1.00 51.21 H new ATOM 0 HH22 ARG A 36 -7.242 12.331 4.385 1.00 51.21 H new ATOM 543 N VAL A 37 -5.165 5.508 2.949 1.00 1.13 N ATOM 544 CA VAL A 37 -6.294 5.075 2.143 1.00 22.24 C ATOM 545 C VAL A 37 -7.312 6.206 2.118 1.00 64.14 C ATOM 546 O VAL A 37 -7.788 6.638 3.170 1.00 72.31 O ATOM 547 CB VAL A 37 -6.864 3.739 2.660 1.00 23.44 C ATOM 548 CG1 VAL A 37 -7.999 3.261 1.748 1.00 63.33 C ATOM 549 CG2 VAL A 37 -5.757 2.673 2.626 1.00 31.02 C ATOM 0 H VAL A 37 -5.392 5.558 3.942 1.00 1.13 H new ATOM 0 HA VAL A 37 -5.987 4.870 1.117 1.00 22.24 H new ATOM 0 HB VAL A 37 -7.236 3.887 3.674 1.00 23.44 H new ATOM 0 HG11 VAL A 37 -8.394 2.317 2.123 1.00 63.33 H new ATOM 0 HG12 VAL A 37 -8.794 4.007 1.735 1.00 63.33 H new ATOM 0 HG13 VAL A 37 -7.618 3.119 0.737 1.00 63.33 H new ATOM 0 HG21 VAL A 37 -6.153 1.725 2.990 1.00 31.02 H new ATOM 0 HG22 VAL A 37 -5.403 2.549 1.603 1.00 31.02 H new ATOM 0 HG23 VAL A 37 -4.929 2.988 3.261 1.00 31.02 H new ATOM 559 N ILE A 38 -7.596 6.711 0.917 1.00 41.12 N ATOM 560 CA ILE A 38 -8.738 7.571 0.640 1.00 5.11 C ATOM 561 C ILE A 38 -9.964 6.657 0.574 1.00 64.03 C ATOM 562 O ILE A 38 -9.929 5.622 -0.105 1.00 44.42 O ATOM 563 CB ILE A 38 -8.543 8.319 -0.699 1.00 72.45 C ATOM 564 CG1 ILE A 38 -7.221 9.118 -0.737 1.00 30.31 C ATOM 565 CG2 ILE A 38 -9.753 9.235 -0.980 1.00 42.13 C ATOM 566 CD1 ILE A 38 -6.919 9.689 -2.126 1.00 24.03 C ATOM 0 H ILE A 38 -7.023 6.527 0.094 1.00 41.12 H new ATOM 0 HA ILE A 38 -8.856 8.329 1.414 1.00 5.11 H new ATOM 0 HB ILE A 38 -8.478 7.569 -1.488 1.00 72.45 H new ATOM 0 HG12 ILE A 38 -7.273 9.934 -0.016 1.00 30.31 H new ATOM 0 HG13 ILE A 38 -6.400 8.471 -0.428 1.00 30.31 H new ATOM 0 HG21 ILE A 38 -9.603 9.756 -1.926 1.00 42.13 H new ATOM 0 HG22 ILE A 38 -10.660 8.633 -1.037 1.00 42.13 H new ATOM 0 HG23 ILE A 38 -9.852 9.964 -0.176 1.00 42.13 H new ATOM 0 HD11 ILE A 38 -5.979 10.241 -2.096 1.00 24.03 H new ATOM 0 HD12 ILE A 38 -6.838 8.874 -2.845 1.00 24.03 H new ATOM 0 HD13 ILE A 38 -7.724 10.359 -2.427 1.00 24.03 H new ATOM 578 N LYS A 39 -11.043 7.057 1.244 1.00 43.12 N ATOM 579 CA LYS A 39 -12.324 6.366 1.230 1.00 62.04 C ATOM 580 C LYS A 39 -13.336 7.240 0.498 1.00 12.33 C ATOM 581 O LYS A 39 -13.303 8.461 0.672 1.00 54.13 O ATOM 582 CB LYS A 39 -12.799 6.093 2.666 1.00 43.35 C ATOM 583 CG LYS A 39 -11.773 5.368 3.558 1.00 23.20 C ATOM 584 CD LYS A 39 -10.959 6.289 4.475 1.00 50.34 C ATOM 585 CE LYS A 39 -10.033 5.439 5.355 1.00 45.14 C ATOM 586 NZ LYS A 39 -9.899 5.964 6.730 1.00 32.23 N ATOM 0 H LYS A 39 -11.047 7.894 1.827 1.00 43.12 H new ATOM 0 HA LYS A 39 -12.222 5.408 0.720 1.00 62.04 H new ATOM 0 HB2 LYS A 39 -13.060 7.042 3.134 1.00 43.35 H new ATOM 0 HB3 LYS A 39 -13.710 5.496 2.625 1.00 43.35 H new ATOM 0 HG2 LYS A 39 -12.298 4.637 4.173 1.00 23.20 H new ATOM 0 HG3 LYS A 39 -11.085 4.812 2.920 1.00 23.20 H new ATOM 0 HD2 LYS A 39 -10.372 6.988 3.879 1.00 50.34 H new ATOM 0 HD3 LYS A 39 -11.627 6.884 5.098 1.00 50.34 H new ATOM 0 HE2 LYS A 39 -10.416 4.420 5.397 1.00 45.14 H new ATOM 0 HE3 LYS A 39 -9.047 5.390 4.893 1.00 45.14 H new ATOM 0 HZ1 LYS A 39 -9.262 5.349 7.276 1.00 32.23 H new ATOM 0 HZ2 LYS A 39 -9.507 6.927 6.697 1.00 32.23 H new ATOM 0 HZ3 LYS A 39 -10.834 5.986 7.186 1.00 32.23 H new ATOM 600 N ASP A 40 -14.239 6.643 -0.283 1.00 63.13 N ATOM 601 CA ASP A 40 -15.408 7.297 -0.867 1.00 45.32 C ATOM 602 C ASP A 40 -16.260 7.984 0.213 1.00 65.45 C ATOM 603 O ASP A 40 -16.150 7.675 1.406 1.00 41.42 O ATOM 604 CB ASP A 40 -16.241 6.247 -1.614 1.00 14.11 C ATOM 605 CG ASP A 40 -17.099 6.874 -2.705 1.00 52.23 C ATOM 606 OD1 ASP A 40 -18.154 7.444 -2.379 1.00 63.45 O ATOM 607 OD2 ASP A 40 -16.697 6.847 -3.891 1.00 12.22 O ATOM 0 H ASP A 40 -14.172 5.657 -0.534 1.00 63.13 H new ATOM 0 HA ASP A 40 -15.073 8.069 -1.560 1.00 45.32 H new ATOM 0 HB2 ASP A 40 -15.577 5.504 -2.056 1.00 14.11 H new ATOM 0 HB3 ASP A 40 -16.881 5.721 -0.906 1.00 14.11 H new ATOM 612 N LYS A 41 -17.141 8.900 -0.193 1.00 72.13 N ATOM 613 CA LYS A 41 -18.021 9.649 0.707 1.00 45.45 C ATOM 614 C LYS A 41 -19.466 9.187 0.585 1.00 3.21 C ATOM 615 O LYS A 41 -20.249 9.368 1.517 1.00 73.21 O ATOM 616 CB LYS A 41 -17.849 11.154 0.416 1.00 52.25 C ATOM 617 CG LYS A 41 -18.055 12.087 1.618 1.00 70.04 C ATOM 618 CD LYS A 41 -19.465 12.622 1.886 1.00 63.12 C ATOM 619 CE LYS A 41 -19.882 13.594 0.783 1.00 64.11 C ATOM 620 NZ LYS A 41 -21.226 14.158 1.006 1.00 62.25 N ATOM 0 H LYS A 41 -17.265 9.147 -1.175 1.00 72.13 H new ATOM 0 HA LYS A 41 -17.743 9.460 1.744 1.00 45.45 H new ATOM 0 HB2 LYS A 41 -16.847 11.317 0.019 1.00 52.25 H new ATOM 0 HB3 LYS A 41 -18.552 11.438 -0.367 1.00 52.25 H new ATOM 0 HG2 LYS A 41 -17.725 11.557 2.511 1.00 70.04 H new ATOM 0 HG3 LYS A 41 -17.392 12.943 1.492 1.00 70.04 H new ATOM 0 HD2 LYS A 41 -20.172 11.794 1.937 1.00 63.12 H new ATOM 0 HD3 LYS A 41 -19.493 13.125 2.853 1.00 63.12 H new ATOM 0 HE2 LYS A 41 -19.156 14.405 0.724 1.00 64.11 H new ATOM 0 HE3 LYS A 41 -19.862 13.079 -0.177 1.00 64.11 H new ATOM 0 HZ1 LYS A 41 -21.462 14.810 0.231 1.00 62.25 H new ATOM 0 HZ2 LYS A 41 -21.925 13.388 1.035 1.00 62.25 H new ATOM 0 HZ3 LYS A 41 -21.241 14.674 1.909 1.00 62.25 H new ATOM 634 N GLN A 42 -19.828 8.565 -0.531 1.00 64.44 N ATOM 635 CA GLN A 42 -21.119 7.951 -0.748 1.00 14.22 C ATOM 636 C GLN A 42 -21.007 6.487 -0.348 1.00 50.54 C ATOM 637 O GLN A 42 -21.663 6.048 0.597 1.00 64.34 O ATOM 638 CB GLN A 42 -21.567 8.131 -2.219 1.00 12.41 C ATOM 639 CG GLN A 42 -22.892 8.892 -2.352 1.00 14.14 C ATOM 640 CD GLN A 42 -24.004 8.215 -1.564 1.00 24.31 C ATOM 641 OE1 GLN A 42 -24.531 7.187 -1.981 1.00 3.53 O ATOM 642 NE2 GLN A 42 -24.360 8.747 -0.406 1.00 13.30 N ATOM 0 H GLN A 42 -19.204 8.475 -1.333 1.00 64.44 H new ATOM 0 HA GLN A 42 -21.887 8.428 -0.139 1.00 14.22 H new ATOM 0 HB2 GLN A 42 -20.791 8.665 -2.767 1.00 12.41 H new ATOM 0 HB3 GLN A 42 -21.669 7.151 -2.685 1.00 12.41 H new ATOM 0 HG2 GLN A 42 -22.763 9.914 -1.997 1.00 14.14 H new ATOM 0 HG3 GLN A 42 -23.174 8.953 -3.403 1.00 14.14 H new ATOM 0 HE21 GLN A 42 -23.910 9.601 -0.077 1.00 13.30 H new ATOM 0 HE22 GLN A 42 -25.084 8.303 0.158 1.00 13.30 H new ATOM 651 N THR A 43 -20.147 5.743 -1.044 1.00 12.11 N ATOM 652 CA THR A 43 -20.189 4.286 -1.024 1.00 73.24 C ATOM 653 C THR A 43 -19.453 3.705 0.183 1.00 33.13 C ATOM 654 O THR A 43 -19.593 2.520 0.486 1.00 51.54 O ATOM 655 CB THR A 43 -19.670 3.732 -2.360 1.00 65.42 C ATOM 656 OG1 THR A 43 -18.366 4.200 -2.627 1.00 4.23 O ATOM 657 CG2 THR A 43 -20.583 4.125 -3.519 1.00 51.45 C ATOM 0 H THR A 43 -19.409 6.132 -1.631 1.00 12.11 H new ATOM 0 HA THR A 43 -21.226 3.970 -0.910 1.00 73.24 H new ATOM 0 HB THR A 43 -19.657 2.646 -2.270 1.00 65.42 H new ATOM 0 HG1 THR A 43 -18.056 3.834 -3.481 1.00 4.23 H new ATOM 0 HG21 THR A 43 -20.187 3.717 -4.449 1.00 51.45 H new ATOM 0 HG22 THR A 43 -21.583 3.728 -3.345 1.00 51.45 H new ATOM 0 HG23 THR A 43 -20.632 5.211 -3.591 1.00 51.45 H new ATOM 665 N GLN A 44 -18.648 4.535 0.865 1.00 22.20 N ATOM 666 CA GLN A 44 -17.811 4.194 2.014 1.00 25.10 C ATOM 667 C GLN A 44 -16.581 3.353 1.645 1.00 1.44 C ATOM 668 O GLN A 44 -15.696 3.195 2.490 1.00 3.21 O ATOM 669 CB GLN A 44 -18.631 3.587 3.175 1.00 25.34 C ATOM 670 CG GLN A 44 -19.868 4.417 3.562 1.00 64.33 C ATOM 671 CD GLN A 44 -19.542 5.896 3.757 1.00 73.34 C ATOM 672 OE1 GLN A 44 -18.596 6.244 4.463 1.00 25.24 O ATOM 673 NE2 GLN A 44 -20.272 6.784 3.096 1.00 12.21 N ATOM 0 H GLN A 44 -18.563 5.519 0.610 1.00 22.20 H new ATOM 0 HA GLN A 44 -17.408 5.138 2.381 1.00 25.10 H new ATOM 0 HB2 GLN A 44 -18.951 2.583 2.895 1.00 25.34 H new ATOM 0 HB3 GLN A 44 -17.986 3.484 4.048 1.00 25.34 H new ATOM 0 HG2 GLN A 44 -20.627 4.315 2.787 1.00 64.33 H new ATOM 0 HG3 GLN A 44 -20.296 4.018 4.482 1.00 64.33 H new ATOM 0 HE21 GLN A 44 -21.052 6.473 2.516 1.00 12.21 H new ATOM 0 HE22 GLN A 44 -20.054 7.778 3.167 1.00 12.21 H new ATOM 682 N LEU A 45 -16.542 2.794 0.436 1.00 31.13 N ATOM 683 CA LEU A 45 -15.481 1.977 -0.150 1.00 64.05 C ATOM 684 C LEU A 45 -14.171 2.759 -0.260 1.00 11.23 C ATOM 685 O LEU A 45 -14.116 3.936 0.076 1.00 2.30 O ATOM 686 CB LEU A 45 -15.901 1.544 -1.564 1.00 74.05 C ATOM 687 CG LEU A 45 -17.302 0.928 -1.676 1.00 73.24 C ATOM 688 CD1 LEU A 45 -17.617 0.685 -3.151 1.00 63.23 C ATOM 689 CD2 LEU A 45 -17.475 -0.309 -0.793 1.00 30.33 C ATOM 0 H LEU A 45 -17.319 2.912 -0.214 1.00 31.13 H new ATOM 0 HA LEU A 45 -15.325 1.114 0.497 1.00 64.05 H new ATOM 0 HB2 LEU A 45 -15.851 2.412 -2.221 1.00 74.05 H new ATOM 0 HB3 LEU A 45 -15.174 0.821 -1.935 1.00 74.05 H new ATOM 0 HG LEU A 45 -18.038 1.630 -1.285 1.00 73.24 H new ATOM 0 HD11 LEU A 45 -18.611 0.247 -3.243 1.00 63.23 H new ATOM 0 HD12 LEU A 45 -17.586 1.632 -3.690 1.00 63.23 H new ATOM 0 HD13 LEU A 45 -16.879 0.003 -3.573 1.00 63.23 H new ATOM 0 HD21 LEU A 45 -18.484 -0.703 -0.912 1.00 30.33 H new ATOM 0 HD22 LEU A 45 -16.752 -1.070 -1.087 1.00 30.33 H new ATOM 0 HD23 LEU A 45 -17.312 -0.037 0.250 1.00 30.33 H new ATOM 701 N ASN A 46 -13.126 2.133 -0.797 1.00 54.12 N ATOM 702 CA ASN A 46 -11.834 2.770 -1.050 1.00 14.10 C ATOM 703 C ASN A 46 -11.698 3.115 -2.544 1.00 73.01 C ATOM 704 O ASN A 46 -12.551 2.745 -3.350 1.00 72.15 O ATOM 705 CB ASN A 46 -10.707 1.867 -0.533 1.00 50.12 C ATOM 706 CG ASN A 46 -10.388 0.670 -1.406 1.00 34.21 C ATOM 707 OD1 ASN A 46 -9.889 0.808 -2.516 1.00 54.45 O ATOM 708 ND2 ASN A 46 -10.595 -0.526 -0.914 1.00 33.32 N ATOM 0 H ASN A 46 -13.153 1.152 -1.074 1.00 54.12 H new ATOM 0 HA ASN A 46 -11.763 3.713 -0.507 1.00 14.10 H new ATOM 0 HB2 ASN A 46 -9.804 2.467 -0.423 1.00 50.12 H new ATOM 0 HB3 ASN A 46 -10.976 1.510 0.461 1.00 50.12 H new ATOM 0 HD21 ASN A 46 -10.340 -1.352 -1.456 1.00 33.32 H new ATOM 0 HD22 ASN A 46 -11.011 -0.632 0.011 1.00 33.32 H new ATOM 715 N ARG A 47 -10.625 3.820 -2.933 1.00 32.11 N ATOM 716 CA ARG A 47 -10.405 4.310 -4.314 1.00 33.21 C ATOM 717 C ARG A 47 -9.686 3.325 -5.251 1.00 45.21 C ATOM 718 O ARG A 47 -9.649 3.568 -6.464 1.00 12.30 O ATOM 719 CB ARG A 47 -9.650 5.650 -4.271 1.00 71.25 C ATOM 720 CG ARG A 47 -10.498 6.811 -3.727 1.00 24.11 C ATOM 721 CD ARG A 47 -11.232 7.621 -4.803 1.00 10.51 C ATOM 722 NE ARG A 47 -12.209 6.856 -5.594 1.00 23.42 N ATOM 723 CZ ARG A 47 -13.474 6.594 -5.246 1.00 53.23 C ATOM 724 NH1 ARG A 47 -13.929 6.893 -4.039 1.00 44.13 N ATOM 725 NH2 ARG A 47 -14.303 6.030 -6.109 1.00 21.13 N ATOM 0 H ARG A 47 -9.872 4.072 -2.293 1.00 32.11 H new ATOM 0 HA ARG A 47 -11.399 4.433 -4.744 1.00 33.21 H new ATOM 0 HB2 ARG A 47 -8.761 5.538 -3.651 1.00 71.25 H new ATOM 0 HB3 ARG A 47 -9.309 5.899 -5.276 1.00 71.25 H new ATOM 0 HG2 ARG A 47 -11.232 6.411 -3.027 1.00 24.11 H new ATOM 0 HG3 ARG A 47 -9.852 7.483 -3.162 1.00 24.11 H new ATOM 0 HD2 ARG A 47 -11.747 8.453 -4.323 1.00 10.51 H new ATOM 0 HD3 ARG A 47 -10.494 8.051 -5.481 1.00 10.51 H new ATOM 0 HE ARG A 47 -11.892 6.491 -6.492 1.00 23.42 H new ATOM 0 HH11 ARG A 47 -13.312 7.331 -3.355 1.00 44.13 H new ATOM 0 HH12 ARG A 47 -14.897 6.685 -3.793 1.00 44.13 H new ATOM 0 HH21 ARG A 47 -13.979 5.792 -7.046 1.00 21.13 H new ATOM 0 HH22 ARG A 47 -15.266 5.833 -5.837 1.00 21.13 H new ATOM 739 N GLY A 48 -9.084 2.273 -4.721 1.00 25.11 N ATOM 740 CA GLY A 48 -8.492 1.137 -5.434 1.00 62.32 C ATOM 741 C GLY A 48 -6.961 1.129 -5.437 1.00 22.10 C ATOM 742 O GLY A 48 -6.328 0.273 -6.061 1.00 22.24 O ATOM 0 H GLY A 48 -8.986 2.177 -3.710 1.00 25.11 H new ATOM 0 HA2 GLY A 48 -8.848 0.212 -4.981 1.00 62.32 H new ATOM 0 HA3 GLY A 48 -8.846 1.144 -6.465 1.00 62.32 H new ATOM 746 N PHE A 49 -6.353 1.958 -4.594 1.00 42.54 N ATOM 747 CA PHE A 49 -4.920 2.087 -4.358 1.00 24.31 C ATOM 748 C PHE A 49 -4.735 2.601 -2.930 1.00 54.54 C ATOM 749 O PHE A 49 -5.721 2.910 -2.248 1.00 34.22 O ATOM 750 CB PHE A 49 -4.278 3.013 -5.409 1.00 31.33 C ATOM 751 CG PHE A 49 -5.054 4.281 -5.640 1.00 21.10 C ATOM 752 CD1 PHE A 49 -4.935 5.354 -4.741 1.00 54.33 C ATOM 753 CD2 PHE A 49 -5.957 4.339 -6.712 1.00 10.54 C ATOM 754 CE1 PHE A 49 -5.773 6.473 -4.882 1.00 25.42 C ATOM 755 CE2 PHE A 49 -6.775 5.470 -6.862 1.00 4.21 C ATOM 756 CZ PHE A 49 -6.700 6.522 -5.933 1.00 32.20 C ATOM 0 H PHE A 49 -6.889 2.605 -4.016 1.00 42.54 H new ATOM 0 HA PHE A 49 -4.416 1.126 -4.460 1.00 24.31 H new ATOM 0 HB2 PHE A 49 -3.267 3.267 -5.090 1.00 31.33 H new ATOM 0 HB3 PHE A 49 -4.188 2.473 -6.352 1.00 31.33 H new ATOM 0 HD1 PHE A 49 -4.204 5.319 -3.947 1.00 54.33 H new ATOM 0 HD2 PHE A 49 -6.022 3.522 -7.415 1.00 10.54 H new ATOM 0 HE1 PHE A 49 -5.703 7.293 -4.183 1.00 25.42 H new ATOM 0 HE2 PHE A 49 -7.463 5.532 -7.692 1.00 4.21 H new ATOM 0 HZ PHE A 49 -7.359 7.372 -6.029 1.00 32.20 H new ATOM 766 N ALA A 50 -3.497 2.665 -2.452 1.00 44.31 N ATOM 767 CA ALA A 50 -3.138 3.224 -1.155 1.00 10.24 C ATOM 768 C ALA A 50 -1.724 3.794 -1.236 1.00 33.34 C ATOM 769 O ALA A 50 -1.017 3.504 -2.195 1.00 5.42 O ATOM 770 CB ALA A 50 -3.217 2.133 -0.083 1.00 63.12 C ATOM 0 H ALA A 50 -2.691 2.318 -2.973 1.00 44.31 H new ATOM 0 HA ALA A 50 -3.831 4.021 -0.887 1.00 10.24 H new ATOM 0 HB1 ALA A 50 -2.948 2.554 0.886 1.00 63.12 H new ATOM 0 HB2 ALA A 50 -4.233 1.740 -0.038 1.00 63.12 H new ATOM 0 HB3 ALA A 50 -2.527 1.327 -0.332 1.00 63.12 H new ATOM 776 N PHE A 51 -1.299 4.552 -0.227 1.00 43.42 N ATOM 777 CA PHE A 51 -0.045 5.297 -0.229 1.00 64.24 C ATOM 778 C PHE A 51 0.643 5.096 1.118 1.00 43.42 C ATOM 779 O PHE A 51 0.146 5.603 2.117 1.00 63.15 O ATOM 780 CB PHE A 51 -0.356 6.788 -0.427 1.00 1.24 C ATOM 781 CG PHE A 51 -1.193 7.162 -1.627 1.00 14.23 C ATOM 782 CD1 PHE A 51 -0.597 7.281 -2.892 1.00 23.20 C ATOM 783 CD2 PHE A 51 -2.562 7.453 -1.462 1.00 64.11 C ATOM 784 CE1 PHE A 51 -1.368 7.685 -3.993 1.00 25.01 C ATOM 785 CE2 PHE A 51 -3.328 7.870 -2.561 1.00 2.40 C ATOM 786 CZ PHE A 51 -2.731 7.985 -3.827 1.00 5.10 C ATOM 0 H PHE A 51 -1.832 4.667 0.635 1.00 43.42 H new ATOM 0 HA PHE A 51 0.605 4.948 -1.032 1.00 64.24 H new ATOM 0 HB2 PHE A 51 -0.865 7.149 0.467 1.00 1.24 H new ATOM 0 HB3 PHE A 51 0.590 7.325 -0.494 1.00 1.24 H new ATOM 0 HD1 PHE A 51 0.453 7.062 -3.018 1.00 23.20 H new ATOM 0 HD2 PHE A 51 -3.021 7.355 -0.490 1.00 64.11 H new ATOM 0 HE1 PHE A 51 -0.913 7.765 -4.969 1.00 25.01 H new ATOM 0 HE2 PHE A 51 -4.375 8.102 -2.434 1.00 2.40 H new ATOM 0 HZ PHE A 51 -3.320 8.304 -4.674 1.00 5.10 H new ATOM 796 N ILE A 52 1.757 4.383 1.194 1.00 70.32 N ATOM 797 CA ILE A 52 2.621 4.328 2.373 1.00 41.13 C ATOM 798 C ILE A 52 3.423 5.636 2.467 1.00 1.34 C ATOM 799 O ILE A 52 3.889 6.136 1.441 1.00 70.31 O ATOM 800 CB ILE A 52 3.540 3.090 2.261 1.00 34.13 C ATOM 801 CG1 ILE A 52 2.754 1.764 2.095 1.00 11.41 C ATOM 802 CG2 ILE A 52 4.516 2.997 3.442 1.00 54.53 C ATOM 803 CD1 ILE A 52 3.567 0.601 1.514 1.00 73.14 C ATOM 0 H ILE A 52 2.097 3.811 0.421 1.00 70.32 H new ATOM 0 HA ILE A 52 2.034 4.230 3.286 1.00 41.13 H new ATOM 0 HB ILE A 52 4.118 3.233 1.348 1.00 34.13 H new ATOM 0 HG12 ILE A 52 2.364 1.465 3.068 1.00 11.41 H new ATOM 0 HG13 ILE A 52 1.895 1.946 1.449 1.00 11.41 H new ATOM 0 HG21 ILE A 52 5.144 2.114 3.326 1.00 54.53 H new ATOM 0 HG22 ILE A 52 5.143 3.888 3.466 1.00 54.53 H new ATOM 0 HG23 ILE A 52 3.954 2.923 4.373 1.00 54.53 H new ATOM 0 HD11 ILE A 52 2.933 -0.282 1.435 1.00 73.14 H new ATOM 0 HD12 ILE A 52 3.935 0.873 0.525 1.00 73.14 H new ATOM 0 HD13 ILE A 52 4.411 0.385 2.168 1.00 73.14 H new ATOM 815 N GLN A 53 3.625 6.187 3.673 1.00 70.33 N ATOM 816 CA GLN A 53 4.545 7.294 3.917 1.00 34.04 C ATOM 817 C GLN A 53 5.585 6.860 4.947 1.00 14.43 C ATOM 818 O GLN A 53 5.245 6.673 6.121 1.00 63.43 O ATOM 819 CB GLN A 53 3.795 8.527 4.438 1.00 22.12 C ATOM 820 CG GLN A 53 3.060 9.336 3.368 1.00 30.04 C ATOM 821 CD GLN A 53 1.707 8.724 3.069 1.00 51.23 C ATOM 822 OE1 GLN A 53 0.765 8.863 3.844 1.00 61.14 O ATOM 823 NE2 GLN A 53 1.556 8.047 1.950 1.00 44.15 N ATOM 0 H GLN A 53 3.144 5.868 4.514 1.00 70.33 H new ATOM 0 HA GLN A 53 5.030 7.559 2.978 1.00 34.04 H new ATOM 0 HB2 GLN A 53 3.073 8.204 5.188 1.00 22.12 H new ATOM 0 HB3 GLN A 53 4.507 9.181 4.941 1.00 22.12 H new ATOM 0 HG2 GLN A 53 2.933 10.364 3.706 1.00 30.04 H new ATOM 0 HG3 GLN A 53 3.658 9.372 2.457 1.00 30.04 H new ATOM 0 HE21 GLN A 53 2.343 7.936 1.311 1.00 44.15 H new ATOM 0 HE22 GLN A 53 0.652 7.634 1.722 1.00 44.15 H new ATOM 832 N LEU A 54 6.848 6.736 4.538 1.00 50.15 N ATOM 833 CA LEU A 54 7.965 6.318 5.380 1.00 22.14 C ATOM 834 C LEU A 54 9.055 7.393 5.412 1.00 4.10 C ATOM 835 O LEU A 54 8.954 8.437 4.755 1.00 65.31 O ATOM 836 CB LEU A 54 8.491 4.967 4.862 1.00 22.14 C ATOM 837 CG LEU A 54 7.725 3.752 5.402 1.00 3.40 C ATOM 838 CD1 LEU A 54 8.081 2.540 4.542 1.00 11.54 C ATOM 839 CD2 LEU A 54 8.069 3.463 6.867 1.00 72.44 C ATOM 0 H LEU A 54 7.129 6.931 3.577 1.00 50.15 H new ATOM 0 HA LEU A 54 7.632 6.190 6.410 1.00 22.14 H new ATOM 0 HB2 LEU A 54 8.440 4.962 3.773 1.00 22.14 H new ATOM 0 HB3 LEU A 54 9.543 4.870 5.132 1.00 22.14 H new ATOM 0 HG LEU A 54 6.657 3.964 5.356 1.00 3.40 H new ATOM 0 HD11 LEU A 54 7.547 1.664 4.909 1.00 11.54 H new ATOM 0 HD12 LEU A 54 7.796 2.732 3.507 1.00 11.54 H new ATOM 0 HD13 LEU A 54 9.155 2.359 4.595 1.00 11.54 H new ATOM 0 HD21 LEU A 54 7.505 2.595 7.209 1.00 72.44 H new ATOM 0 HD22 LEU A 54 9.136 3.260 6.957 1.00 72.44 H new ATOM 0 HD23 LEU A 54 7.811 4.328 7.479 1.00 72.44 H new ATOM 851 N SER A 55 10.110 7.123 6.182 1.00 43.53 N ATOM 852 CA SER A 55 11.425 7.722 5.999 1.00 4.41 C ATOM 853 C SER A 55 11.860 7.556 4.541 1.00 3.13 C ATOM 854 O SER A 55 11.564 6.529 3.931 1.00 72.14 O ATOM 855 CB SER A 55 12.420 6.970 6.893 1.00 2.40 C ATOM 856 OG SER A 55 12.698 7.642 8.102 1.00 60.04 O ATOM 0 H SER A 55 10.070 6.469 6.964 1.00 43.53 H new ATOM 0 HA SER A 55 11.394 8.781 6.255 1.00 4.41 H new ATOM 0 HB2 SER A 55 12.021 5.981 7.118 1.00 2.40 H new ATOM 0 HB3 SER A 55 13.350 6.821 6.345 1.00 2.40 H new ATOM 0 HG SER A 55 13.335 7.116 8.630 1.00 60.04 H new ATOM 862 N THR A 56 12.637 8.518 4.044 1.00 65.01 N ATOM 863 CA THR A 56 13.310 8.487 2.754 1.00 41.44 C ATOM 864 C THR A 56 14.051 7.161 2.556 1.00 74.22 C ATOM 865 O THR A 56 13.682 6.350 1.707 1.00 74.44 O ATOM 866 CB THR A 56 14.223 9.734 2.677 1.00 61.12 C ATOM 867 OG1 THR A 56 13.459 10.917 2.885 1.00 65.15 O ATOM 868 CG2 THR A 56 15.027 9.894 1.392 1.00 62.34 C ATOM 0 H THR A 56 12.820 9.380 4.558 1.00 65.01 H new ATOM 0 HA THR A 56 12.598 8.532 1.930 1.00 41.44 H new ATOM 0 HB THR A 56 14.956 9.575 3.468 1.00 61.12 H new ATOM 0 HG1 THR A 56 14.047 11.699 2.836 1.00 65.15 H new ATOM 0 HG21 THR A 56 15.629 10.801 1.450 1.00 62.34 H new ATOM 0 HG22 THR A 56 15.681 9.032 1.262 1.00 62.34 H new ATOM 0 HG23 THR A 56 14.347 9.964 0.543 1.00 62.34 H new ATOM 876 N ILE A 57 15.094 6.934 3.354 1.00 22.00 N ATOM 877 CA ILE A 57 16.009 5.823 3.130 1.00 23.14 C ATOM 878 C ILE A 57 15.281 4.503 3.423 1.00 50.14 C ATOM 879 O ILE A 57 15.481 3.519 2.715 1.00 3.23 O ATOM 880 CB ILE A 57 17.299 6.019 3.959 1.00 33.23 C ATOM 881 CG1 ILE A 57 17.893 7.432 3.733 1.00 73.25 C ATOM 882 CG2 ILE A 57 18.339 4.950 3.584 1.00 21.32 C ATOM 883 CD1 ILE A 57 19.166 7.685 4.536 1.00 1.11 C ATOM 0 H ILE A 57 15.324 7.510 4.164 1.00 22.00 H new ATOM 0 HA ILE A 57 16.326 5.788 2.088 1.00 23.14 H new ATOM 0 HB ILE A 57 17.043 5.916 5.013 1.00 33.23 H new ATOM 0 HG12 ILE A 57 18.108 7.563 2.673 1.00 73.25 H new ATOM 0 HG13 ILE A 57 17.147 8.180 4.002 1.00 73.25 H new ATOM 0 HG21 ILE A 57 19.243 5.099 4.175 1.00 21.32 H new ATOM 0 HG22 ILE A 57 17.932 3.959 3.787 1.00 21.32 H new ATOM 0 HG23 ILE A 57 18.580 5.033 2.524 1.00 21.32 H new ATOM 0 HD11 ILE A 57 19.531 8.692 4.332 1.00 1.11 H new ATOM 0 HD12 ILE A 57 18.951 7.585 5.600 1.00 1.11 H new ATOM 0 HD13 ILE A 57 19.927 6.959 4.250 1.00 1.11 H new ATOM 895 N GLU A 58 14.411 4.478 4.437 1.00 61.05 N ATOM 896 CA GLU A 58 13.654 3.288 4.811 1.00 65.33 C ATOM 897 C GLU A 58 12.794 2.815 3.647 1.00 25.12 C ATOM 898 O GLU A 58 12.932 1.667 3.233 1.00 10.51 O ATOM 899 CB GLU A 58 12.784 3.526 6.047 1.00 32.21 C ATOM 900 CG GLU A 58 13.601 3.902 7.287 1.00 72.42 C ATOM 901 CD GLU A 58 14.468 2.754 7.800 1.00 50.42 C ATOM 902 OE1 GLU A 58 15.553 2.507 7.218 1.00 62.33 O ATOM 903 OE2 GLU A 58 14.044 2.093 8.772 1.00 53.52 O ATOM 0 H GLU A 58 14.214 5.290 5.023 1.00 61.05 H new ATOM 0 HA GLU A 58 14.377 2.511 5.061 1.00 65.33 H new ATOM 0 HB2 GLU A 58 12.069 4.321 5.834 1.00 32.21 H new ATOM 0 HB3 GLU A 58 12.207 2.626 6.258 1.00 32.21 H new ATOM 0 HG2 GLU A 58 14.238 4.754 7.051 1.00 72.42 H new ATOM 0 HG3 GLU A 58 12.923 4.221 8.079 1.00 72.42 H new ATOM 910 N ALA A 59 11.937 3.691 3.111 1.00 73.23 N ATOM 911 CA ALA A 59 11.077 3.386 1.977 1.00 14.20 C ATOM 912 C ALA A 59 11.883 2.761 0.835 1.00 62.22 C ATOM 913 O ALA A 59 11.553 1.666 0.377 1.00 24.21 O ATOM 914 CB ALA A 59 10.389 4.674 1.516 1.00 13.34 C ATOM 0 H ALA A 59 11.825 4.642 3.462 1.00 73.23 H new ATOM 0 HA ALA A 59 10.322 2.660 2.280 1.00 14.20 H new ATOM 0 HB1 ALA A 59 9.742 4.457 0.666 1.00 13.34 H new ATOM 0 HB2 ALA A 59 9.792 5.080 2.333 1.00 13.34 H new ATOM 0 HB3 ALA A 59 11.143 5.404 1.221 1.00 13.34 H new ATOM 920 N ALA A 60 12.939 3.451 0.395 1.00 52.52 N ATOM 921 CA ALA A 60 13.729 3.051 -0.757 1.00 21.30 C ATOM 922 C ALA A 60 14.473 1.731 -0.531 1.00 4.43 C ATOM 923 O ALA A 60 14.670 0.970 -1.481 1.00 3.43 O ATOM 924 CB ALA A 60 14.712 4.180 -1.087 1.00 14.20 C ATOM 0 H ALA A 60 13.267 4.310 0.837 1.00 52.52 H new ATOM 0 HA ALA A 60 13.055 2.877 -1.596 1.00 21.30 H new ATOM 0 HB1 ALA A 60 15.314 3.897 -1.950 1.00 14.20 H new ATOM 0 HB2 ALA A 60 14.157 5.091 -1.314 1.00 14.20 H new ATOM 0 HB3 ALA A 60 15.364 4.356 -0.232 1.00 14.20 H new ATOM 930 N GLN A 61 14.910 1.449 0.698 1.00 23.41 N ATOM 931 CA GLN A 61 15.517 0.176 1.061 1.00 5.22 C ATOM 932 C GLN A 61 14.497 -0.944 1.022 1.00 11.30 C ATOM 933 O GLN A 61 14.716 -1.939 0.328 1.00 12.51 O ATOM 934 CB GLN A 61 16.128 0.267 2.467 1.00 32.01 C ATOM 935 CG GLN A 61 17.458 1.016 2.423 1.00 13.12 C ATOM 936 CD GLN A 61 18.094 1.176 3.801 1.00 41.11 C ATOM 937 OE1 GLN A 61 19.274 0.872 3.983 1.00 14.32 O ATOM 938 NE2 GLN A 61 17.363 1.654 4.796 1.00 72.25 N ATOM 0 H GLN A 61 14.850 2.108 1.474 1.00 23.41 H new ATOM 0 HA GLN A 61 16.300 -0.044 0.336 1.00 5.22 H new ATOM 0 HB2 GLN A 61 15.438 0.778 3.138 1.00 32.01 H new ATOM 0 HB3 GLN A 61 16.281 -0.734 2.869 1.00 32.01 H new ATOM 0 HG2 GLN A 61 18.148 0.483 1.769 1.00 13.12 H new ATOM 0 HG3 GLN A 61 17.300 2.001 1.984 1.00 13.12 H new ATOM 0 HE21 GLN A 61 16.387 1.903 4.638 1.00 72.25 H new ATOM 0 HE22 GLN A 61 17.776 1.773 5.721 1.00 72.25 H new ATOM 947 N LEU A 62 13.416 -0.793 1.784 1.00 34.14 N ATOM 948 CA LEU A 62 12.428 -1.837 1.995 1.00 41.11 C ATOM 949 C LEU A 62 11.827 -2.258 0.669 1.00 14.53 C ATOM 950 O LEU A 62 11.706 -3.450 0.403 1.00 24.11 O ATOM 951 CB LEU A 62 11.320 -1.315 2.919 1.00 42.52 C ATOM 952 CG LEU A 62 10.833 -2.295 3.977 1.00 70.04 C ATOM 953 CD1 LEU A 62 10.304 -3.607 3.426 1.00 44.51 C ATOM 954 CD2 LEU A 62 11.888 -2.536 5.065 1.00 70.44 C ATOM 0 H LEU A 62 13.203 0.074 2.278 1.00 34.14 H new ATOM 0 HA LEU A 62 12.912 -2.698 2.456 1.00 41.11 H new ATOM 0 HB2 LEU A 62 11.682 -0.417 3.420 1.00 42.52 H new ATOM 0 HB3 LEU A 62 10.470 -1.017 2.306 1.00 42.52 H new ATOM 0 HG LEU A 62 9.974 -1.803 4.432 1.00 70.04 H new ATOM 0 HD11 LEU A 62 9.979 -4.243 4.250 1.00 44.51 H new ATOM 0 HD12 LEU A 62 9.460 -3.410 2.765 1.00 44.51 H new ATOM 0 HD13 LEU A 62 11.092 -4.111 2.867 1.00 44.51 H new ATOM 0 HD21 LEU A 62 11.499 -3.241 5.799 1.00 70.44 H new ATOM 0 HD22 LEU A 62 12.791 -2.945 4.612 1.00 70.44 H new ATOM 0 HD23 LEU A 62 12.125 -1.593 5.558 1.00 70.44 H new ATOM 966 N LEU A 63 11.478 -1.282 -0.177 1.00 22.03 N ATOM 967 CA LEU A 63 10.805 -1.584 -1.425 1.00 10.50 C ATOM 968 C LEU A 63 11.638 -2.556 -2.267 1.00 31.00 C ATOM 969 O LEU A 63 11.082 -3.465 -2.881 1.00 41.44 O ATOM 970 CB LEU A 63 10.532 -0.289 -2.211 1.00 33.34 C ATOM 971 CG LEU A 63 9.873 -0.544 -3.593 1.00 25.43 C ATOM 972 CD1 LEU A 63 8.514 0.143 -3.723 1.00 53.45 C ATOM 973 CD2 LEU A 63 10.806 -0.100 -4.724 1.00 72.35 C ATOM 0 H LEU A 63 11.652 -0.290 -0.015 1.00 22.03 H new ATOM 0 HA LEU A 63 9.852 -2.061 -1.196 1.00 10.50 H new ATOM 0 HB2 LEU A 63 9.884 0.358 -1.620 1.00 33.34 H new ATOM 0 HB3 LEU A 63 11.471 0.246 -2.356 1.00 33.34 H new ATOM 0 HG LEU A 63 9.701 -1.617 -3.673 1.00 25.43 H new ATOM 0 HD11 LEU A 63 8.094 -0.065 -4.707 1.00 53.45 H new ATOM 0 HD12 LEU A 63 7.841 -0.234 -2.953 1.00 53.45 H new ATOM 0 HD13 LEU A 63 8.637 1.219 -3.602 1.00 53.45 H new ATOM 0 HD21 LEU A 63 10.327 -0.287 -5.685 1.00 72.35 H new ATOM 0 HD22 LEU A 63 11.017 0.965 -4.624 1.00 72.35 H new ATOM 0 HD23 LEU A 63 11.738 -0.662 -4.668 1.00 72.35 H new ATOM 985 N GLN A 64 12.966 -2.393 -2.274 1.00 23.33 N ATOM 986 CA GLN A 64 13.835 -3.267 -3.057 1.00 34.00 C ATOM 987 C GLN A 64 13.749 -4.727 -2.590 1.00 34.01 C ATOM 988 O GLN A 64 13.909 -5.641 -3.397 1.00 74.33 O ATOM 989 CB GLN A 64 15.288 -2.777 -2.979 1.00 61.42 C ATOM 990 CG GLN A 64 15.543 -1.466 -3.694 1.00 64.25 C ATOM 991 CD GLN A 64 16.971 -0.960 -3.517 1.00 5.41 C ATOM 992 OE1 GLN A 64 17.751 -0.909 -4.463 1.00 53.24 O ATOM 993 NE2 GLN A 64 17.356 -0.579 -2.309 1.00 33.02 N ATOM 0 H GLN A 64 13.456 -1.668 -1.749 1.00 23.33 H new ATOM 0 HA GLN A 64 13.492 -3.228 -4.091 1.00 34.00 H new ATOM 0 HB2 GLN A 64 15.566 -2.666 -1.931 1.00 61.42 H new ATOM 0 HB3 GLN A 64 15.940 -3.541 -3.402 1.00 61.42 H new ATOM 0 HG2 GLN A 64 15.337 -1.592 -4.757 1.00 64.25 H new ATOM 0 HG3 GLN A 64 14.848 -0.714 -3.321 1.00 64.25 H new ATOM 0 HE21 GLN A 64 16.702 -0.624 -1.527 1.00 33.02 H new ATOM 0 HE22 GLN A 64 18.306 -0.240 -2.160 1.00 33.02 H new ATOM 1002 N ILE A 65 13.498 -4.968 -1.299 1.00 41.52 N ATOM 1003 CA ILE A 65 13.333 -6.309 -0.748 1.00 71.23 C ATOM 1004 C ILE A 65 12.087 -6.914 -1.409 1.00 5.20 C ATOM 1005 O ILE A 65 12.185 -7.972 -2.041 1.00 25.23 O ATOM 1006 CB ILE A 65 13.253 -6.274 0.803 1.00 24.13 C ATOM 1007 CG1 ILE A 65 14.428 -5.480 1.429 1.00 30.30 C ATOM 1008 CG2 ILE A 65 13.214 -7.712 1.361 1.00 74.34 C ATOM 1009 CD1 ILE A 65 14.298 -5.267 2.944 1.00 54.41 C ATOM 0 H ILE A 65 13.404 -4.228 -0.604 1.00 41.52 H new ATOM 0 HA ILE A 65 14.196 -6.938 -0.967 1.00 71.23 H new ATOM 0 HB ILE A 65 12.334 -5.756 1.076 1.00 24.13 H new ATOM 0 HG12 ILE A 65 15.360 -6.008 1.225 1.00 30.30 H new ATOM 0 HG13 ILE A 65 14.498 -4.508 0.940 1.00 30.30 H new ATOM 0 HG21 ILE A 65 13.158 -7.679 2.449 1.00 74.34 H new ATOM 0 HG22 ILE A 65 12.340 -8.231 0.968 1.00 74.34 H new ATOM 0 HG23 ILE A 65 14.117 -8.244 1.060 1.00 74.34 H new ATOM 0 HD11 ILE A 65 15.158 -4.704 3.307 1.00 54.41 H new ATOM 0 HD12 ILE A 65 13.384 -4.712 3.156 1.00 54.41 H new ATOM 0 HD13 ILE A 65 14.259 -6.234 3.445 1.00 54.41 H new ATOM 1021 N LEU A 66 10.950 -6.216 -1.334 1.00 71.15 N ATOM 1022 CA LEU A 66 9.646 -6.585 -1.908 1.00 43.14 C ATOM 1023 C LEU A 66 9.673 -6.868 -3.417 1.00 12.12 C ATOM 1024 O LEU A 66 8.676 -7.354 -3.951 1.00 21.00 O ATOM 1025 CB LEU A 66 8.554 -5.540 -1.622 1.00 54.31 C ATOM 1026 CG LEU A 66 7.911 -5.571 -0.227 1.00 73.32 C ATOM 1027 CD1 LEU A 66 7.548 -6.972 0.275 1.00 42.44 C ATOM 1028 CD2 LEU A 66 8.788 -4.900 0.812 1.00 63.45 C ATOM 0 H LEU A 66 10.910 -5.324 -0.842 1.00 71.15 H new ATOM 0 HA LEU A 66 9.404 -7.518 -1.399 1.00 43.14 H new ATOM 0 HB2 LEU A 66 8.983 -4.550 -1.776 1.00 54.31 H new ATOM 0 HB3 LEU A 66 7.764 -5.663 -2.363 1.00 54.31 H new ATOM 0 HG LEU A 66 6.981 -5.018 -0.356 1.00 73.32 H new ATOM 0 HD11 LEU A 66 7.100 -6.899 1.266 1.00 42.44 H new ATOM 0 HD12 LEU A 66 6.837 -7.432 -0.411 1.00 42.44 H new ATOM 0 HD13 LEU A 66 8.448 -7.584 0.328 1.00 42.44 H new ATOM 0 HD21 LEU A 66 8.298 -4.943 1.785 1.00 63.45 H new ATOM 0 HD22 LEU A 66 9.747 -5.415 0.866 1.00 63.45 H new ATOM 0 HD23 LEU A 66 8.950 -3.859 0.533 1.00 63.45 H new ATOM 1040 N GLN A 67 10.737 -6.516 -4.141 1.00 50.32 N ATOM 1041 CA GLN A 67 10.854 -6.853 -5.557 1.00 30.43 C ATOM 1042 C GLN A 67 11.702 -8.121 -5.810 1.00 53.12 C ATOM 1043 O GLN A 67 12.040 -8.417 -6.962 1.00 32.21 O ATOM 1044 CB GLN A 67 11.332 -5.597 -6.302 1.00 24.03 C ATOM 1045 CG GLN A 67 10.267 -4.481 -6.217 1.00 61.32 C ATOM 1046 CD GLN A 67 10.531 -3.297 -7.144 1.00 44.33 C ATOM 1047 OE1 GLN A 67 11.601 -3.160 -7.734 1.00 12.14 O ATOM 1048 NE2 GLN A 67 9.580 -2.387 -7.287 1.00 41.21 N ATOM 0 H GLN A 67 11.531 -5.996 -3.767 1.00 50.32 H new ATOM 0 HA GLN A 67 9.881 -7.138 -5.958 1.00 30.43 H new ATOM 0 HB2 GLN A 67 12.270 -5.246 -5.872 1.00 24.03 H new ATOM 0 HB3 GLN A 67 11.531 -5.840 -7.346 1.00 24.03 H new ATOM 0 HG2 GLN A 67 9.292 -4.905 -6.455 1.00 61.32 H new ATOM 0 HG3 GLN A 67 10.215 -4.120 -5.190 1.00 61.32 H new ATOM 0 HE21 GLN A 67 8.691 -2.497 -6.799 1.00 41.21 H new ATOM 0 HE22 GLN A 67 9.736 -1.576 -7.885 1.00 41.21 H new ATOM 1057 N ALA A 68 11.976 -8.923 -4.767 1.00 71.25 N ATOM 1058 CA ALA A 68 12.780 -10.148 -4.851 1.00 32.01 C ATOM 1059 C ALA A 68 12.167 -11.403 -4.190 1.00 61.24 C ATOM 1060 O ALA A 68 12.378 -12.507 -4.700 1.00 62.01 O ATOM 1061 CB ALA A 68 14.180 -9.858 -4.307 1.00 73.44 C ATOM 0 H ALA A 68 11.637 -8.731 -3.824 1.00 71.25 H new ATOM 0 HA ALA A 68 12.817 -10.414 -5.907 1.00 32.01 H new ATOM 0 HB1 ALA A 68 14.787 -10.762 -4.364 1.00 73.44 H new ATOM 0 HB2 ALA A 68 14.645 -9.070 -4.900 1.00 73.44 H new ATOM 0 HB3 ALA A 68 14.107 -9.535 -3.268 1.00 73.44 H new ATOM 1067 N LEU A 69 11.408 -11.275 -3.098 1.00 34.31 N ATOM 1068 CA LEU A 69 10.565 -12.334 -2.537 1.00 32.10 C ATOM 1069 C LEU A 69 9.504 -12.857 -3.518 1.00 22.43 C ATOM 1070 O LEU A 69 9.311 -12.316 -4.612 1.00 42.41 O ATOM 1071 CB LEU A 69 9.958 -11.941 -1.196 1.00 32.01 C ATOM 1072 CG LEU A 69 9.535 -10.491 -1.070 1.00 21.22 C ATOM 1073 CD1 LEU A 69 10.551 -9.751 -0.208 1.00 4.50 C ATOM 1074 CD2 LEU A 69 8.972 -9.834 -2.325 1.00 21.03 C ATOM 0 H LEU A 69 11.362 -10.407 -2.565 1.00 34.31 H new ATOM 0 HA LEU A 69 11.237 -13.172 -2.352 1.00 32.10 H new ATOM 0 HB2 LEU A 69 9.089 -12.572 -1.012 1.00 32.01 H new ATOM 0 HB3 LEU A 69 10.682 -12.159 -0.411 1.00 32.01 H new ATOM 0 HG LEU A 69 8.598 -10.426 -0.516 1.00 21.22 H new ATOM 0 HD11 LEU A 69 10.255 -8.706 -0.112 1.00 4.50 H new ATOM 0 HD12 LEU A 69 10.592 -10.209 0.780 1.00 4.50 H new ATOM 0 HD13 LEU A 69 11.534 -9.808 -0.675 1.00 4.50 H new ATOM 0 HD21 LEU A 69 8.707 -8.800 -2.106 1.00 21.03 H new ATOM 0 HD22 LEU A 69 9.722 -9.857 -3.115 1.00 21.03 H new ATOM 0 HD23 LEU A 69 8.084 -10.375 -2.652 1.00 21.03 H new ATOM 1086 N HIS A 70 8.772 -13.883 -3.078 1.00 62.22 N ATOM 1087 CA HIS A 70 7.501 -14.299 -3.653 1.00 63.04 C ATOM 1088 C HIS A 70 6.499 -13.128 -3.689 1.00 61.03 C ATOM 1089 O HIS A 70 6.585 -12.215 -2.861 1.00 74.35 O ATOM 1090 CB HIS A 70 6.919 -15.464 -2.830 1.00 33.13 C ATOM 1091 CG HIS A 70 7.235 -16.828 -3.391 1.00 74.12 C ATOM 1092 ND1 HIS A 70 6.329 -17.678 -3.992 1.00 22.30 N ATOM 1093 CD2 HIS A 70 8.456 -17.448 -3.404 1.00 42.42 C ATOM 1094 CE1 HIS A 70 6.986 -18.791 -4.349 1.00 71.41 C ATOM 1095 NE2 HIS A 70 8.285 -18.697 -4.014 1.00 74.11 N ATOM 0 H HIS A 70 9.060 -14.461 -2.288 1.00 62.22 H new ATOM 0 HA HIS A 70 7.676 -14.626 -4.678 1.00 63.04 H new ATOM 0 HB2 HIS A 70 7.303 -15.403 -1.812 1.00 33.13 H new ATOM 0 HB3 HIS A 70 5.837 -15.349 -2.770 1.00 33.13 H new ATOM 0 HD2 HIS A 70 9.381 -17.047 -3.015 1.00 42.42 H new ATOM 0 HE1 HIS A 70 6.536 -19.643 -4.837 1.00 71.41 H new ATOM 0 HE2 HIS A 70 9.007 -19.400 -4.173 1.00 74.11 H new ATOM 1103 N PRO A 71 5.514 -13.169 -4.604 1.00 30.13 N ATOM 1104 CA PRO A 71 4.555 -12.089 -4.814 1.00 11.34 C ATOM 1105 C PRO A 71 3.644 -11.799 -3.607 1.00 51.11 C ATOM 1106 O PRO A 71 3.541 -12.617 -2.684 1.00 22.44 O ATOM 1107 CB PRO A 71 3.741 -12.497 -6.045 1.00 72.25 C ATOM 1108 CG PRO A 71 3.944 -14.004 -6.161 1.00 33.40 C ATOM 1109 CD PRO A 71 5.349 -14.197 -5.620 1.00 11.41 C ATOM 0 HA PRO A 71 5.090 -11.150 -4.956 1.00 11.34 H new ATOM 0 HB2 PRO A 71 2.687 -12.248 -5.923 1.00 72.25 H new ATOM 0 HB3 PRO A 71 4.090 -11.980 -6.939 1.00 72.25 H new ATOM 0 HG2 PRO A 71 3.207 -14.557 -5.579 1.00 33.40 H new ATOM 0 HG3 PRO A 71 3.857 -14.346 -7.192 1.00 33.40 H new ATOM 0 HD2 PRO A 71 5.474 -15.193 -5.195 1.00 11.41 H new ATOM 0 HD3 PRO A 71 6.093 -14.092 -6.410 1.00 11.41 H new ATOM 1117 N PRO A 72 2.952 -10.643 -3.622 1.00 34.23 N ATOM 1118 CA PRO A 72 2.159 -10.166 -2.497 1.00 31.34 C ATOM 1119 C PRO A 72 0.927 -11.018 -2.229 1.00 54.11 C ATOM 1120 O PRO A 72 0.217 -11.429 -3.148 1.00 13.33 O ATOM 1121 CB PRO A 72 1.754 -8.734 -2.843 1.00 25.43 C ATOM 1122 CG PRO A 72 1.916 -8.634 -4.352 1.00 13.50 C ATOM 1123 CD PRO A 72 3.045 -9.605 -4.643 1.00 34.21 C ATOM 0 HA PRO A 72 2.749 -10.222 -1.582 1.00 31.34 H new ATOM 0 HB2 PRO A 72 0.726 -8.531 -2.542 1.00 25.43 H new ATOM 0 HB3 PRO A 72 2.386 -8.010 -2.329 1.00 25.43 H new ATOM 0 HG2 PRO A 72 1.001 -8.912 -4.875 1.00 13.50 H new ATOM 0 HG3 PRO A 72 2.166 -7.620 -4.664 1.00 13.50 H new ATOM 0 HD2 PRO A 72 2.947 -10.030 -5.642 1.00 34.21 H new ATOM 0 HD3 PRO A 72 4.012 -9.103 -4.603 1.00 34.21 H new ATOM 1131 N LEU A 73 0.587 -11.180 -0.955 1.00 61.05 N ATOM 1132 CA LEU A 73 -0.506 -12.020 -0.483 1.00 45.43 C ATOM 1133 C LEU A 73 -1.834 -11.289 -0.664 1.00 13.32 C ATOM 1134 O LEU A 73 -1.999 -10.154 -0.211 1.00 34.33 O ATOM 1135 CB LEU A 73 -0.242 -12.402 0.979 1.00 30.33 C ATOM 1136 CG LEU A 73 -0.624 -13.863 1.270 1.00 41.25 C ATOM 1137 CD1 LEU A 73 -0.118 -14.204 2.666 1.00 14.32 C ATOM 1138 CD2 LEU A 73 -2.130 -14.126 1.203 1.00 50.44 C ATOM 0 H LEU A 73 1.083 -10.713 -0.196 1.00 61.05 H new ATOM 0 HA LEU A 73 -0.566 -12.940 -1.065 1.00 45.43 H new ATOM 0 HB2 LEU A 73 0.813 -12.250 1.209 1.00 30.33 H new ATOM 0 HB3 LEU A 73 -0.809 -11.741 1.635 1.00 30.33 H new ATOM 0 HG LEU A 73 -0.170 -14.487 0.501 1.00 41.25 H new ATOM 0 HD11 LEU A 73 -0.374 -15.237 2.904 1.00 14.32 H new ATOM 0 HD12 LEU A 73 0.964 -14.081 2.701 1.00 14.32 H new ATOM 0 HD13 LEU A 73 -0.582 -13.539 3.394 1.00 14.32 H new ATOM 0 HD21 LEU A 73 -2.326 -15.176 1.419 1.00 50.44 H new ATOM 0 HD22 LEU A 73 -2.641 -13.503 1.937 1.00 50.44 H new ATOM 0 HD23 LEU A 73 -2.497 -13.886 0.205 1.00 50.44 H new ATOM 1150 N THR A 74 -2.746 -11.874 -1.432 1.00 2.50 N ATOM 1151 CA THR A 74 -4.096 -11.344 -1.645 1.00 52.34 C ATOM 1152 C THR A 74 -4.912 -11.502 -0.352 1.00 41.55 C ATOM 1153 O THR A 74 -4.654 -12.403 0.446 1.00 22.01 O ATOM 1154 CB THR A 74 -4.751 -12.008 -2.881 1.00 73.22 C ATOM 1155 OG1 THR A 74 -6.158 -11.978 -2.853 1.00 54.31 O ATOM 1156 CG2 THR A 74 -4.336 -13.449 -3.145 1.00 13.24 C ATOM 0 H THR A 74 -2.570 -12.744 -1.934 1.00 2.50 H new ATOM 0 HA THR A 74 -4.057 -10.278 -1.870 1.00 52.34 H new ATOM 0 HB THR A 74 -4.369 -11.385 -3.690 1.00 73.22 H new ATOM 0 HG1 THR A 74 -6.510 -12.830 -3.187 1.00 54.31 H new ATOM 0 HG21 THR A 74 -4.851 -13.819 -4.031 1.00 13.24 H new ATOM 0 HG22 THR A 74 -3.259 -13.494 -3.306 1.00 13.24 H new ATOM 0 HG23 THR A 74 -4.601 -14.067 -2.287 1.00 13.24 H new ATOM 1164 N ILE A 75 -5.922 -10.644 -0.153 1.00 2.10 N ATOM 1165 CA ILE A 75 -6.779 -10.670 1.035 1.00 13.52 C ATOM 1166 C ILE A 75 -8.273 -10.608 0.656 1.00 1.33 C ATOM 1167 O ILE A 75 -9.122 -10.382 1.515 1.00 13.33 O ATOM 1168 CB ILE A 75 -6.395 -9.510 2.005 1.00 14.11 C ATOM 1169 CG1 ILE A 75 -4.927 -9.015 1.983 1.00 31.12 C ATOM 1170 CG2 ILE A 75 -6.695 -9.956 3.444 1.00 43.42 C ATOM 1171 CD1 ILE A 75 -4.599 -7.926 0.960 1.00 63.35 C ATOM 0 H ILE A 75 -6.167 -9.909 -0.817 1.00 2.10 H new ATOM 0 HA ILE A 75 -6.617 -11.617 1.549 1.00 13.52 H new ATOM 0 HB ILE A 75 -6.991 -8.669 1.651 1.00 14.11 H new ATOM 0 HG12 ILE A 75 -4.677 -8.640 2.975 1.00 31.12 H new ATOM 0 HG13 ILE A 75 -4.279 -9.871 1.793 1.00 31.12 H new ATOM 0 HG21 ILE A 75 -6.432 -9.155 4.135 1.00 43.42 H new ATOM 0 HG22 ILE A 75 -7.756 -10.184 3.540 1.00 43.42 H new ATOM 0 HG23 ILE A 75 -6.110 -10.845 3.679 1.00 43.42 H new ATOM 0 HD11 ILE A 75 -3.545 -7.660 1.037 1.00 63.35 H new ATOM 0 HD12 ILE A 75 -4.807 -8.295 -0.044 1.00 63.35 H new ATOM 0 HD13 ILE A 75 -5.211 -7.046 1.157 1.00 63.35 H new ATOM 1183 N ASP A 76 -8.618 -10.810 -0.618 1.00 62.42 N ATOM 1184 CA ASP A 76 -10.011 -10.799 -1.115 1.00 11.10 C ATOM 1185 C ASP A 76 -10.045 -11.283 -2.579 1.00 45.21 C ATOM 1186 O ASP A 76 -10.768 -10.741 -3.420 1.00 10.53 O ATOM 1187 CB ASP A 76 -10.631 -9.385 -0.961 1.00 14.23 C ATOM 1188 CG ASP A 76 -12.125 -9.376 -0.676 1.00 54.33 C ATOM 1189 OD1 ASP A 76 -12.512 -9.192 0.500 1.00 65.15 O ATOM 1190 OD2 ASP A 76 -12.930 -9.361 -1.626 1.00 42.15 O ATOM 0 H ASP A 76 -7.932 -10.989 -1.351 1.00 62.42 H new ATOM 0 HA ASP A 76 -10.614 -11.483 -0.519 1.00 11.10 H new ATOM 0 HB2 ASP A 76 -10.117 -8.863 -0.153 1.00 14.23 H new ATOM 0 HB3 ASP A 76 -10.445 -8.820 -1.874 1.00 14.23 H new ATOM 1195 N GLY A 77 -9.143 -12.205 -2.945 1.00 71.22 N ATOM 1196 CA GLY A 77 -8.996 -12.706 -4.315 1.00 12.34 C ATOM 1197 C GLY A 77 -8.434 -11.681 -5.308 1.00 10.31 C ATOM 1198 O GLY A 77 -8.495 -11.906 -6.519 1.00 14.11 O ATOM 0 H GLY A 77 -8.488 -12.628 -2.288 1.00 71.22 H new ATOM 0 HA2 GLY A 77 -8.341 -13.578 -4.302 1.00 12.34 H new ATOM 0 HA3 GLY A 77 -9.969 -13.044 -4.672 1.00 12.34 H new ATOM 1202 N LYS A 78 -7.831 -10.598 -4.809 1.00 71.01 N ATOM 1203 CA LYS A 78 -7.202 -9.511 -5.544 1.00 45.55 C ATOM 1204 C LYS A 78 -5.718 -9.487 -5.199 1.00 11.51 C ATOM 1205 O LYS A 78 -5.366 -9.147 -4.069 1.00 71.44 O ATOM 1206 CB LYS A 78 -7.898 -8.170 -5.232 1.00 14.24 C ATOM 1207 CG LYS A 78 -8.489 -7.946 -3.820 1.00 45.14 C ATOM 1208 CD LYS A 78 -7.560 -7.450 -2.704 1.00 2.24 C ATOM 1209 CE LYS A 78 -8.259 -7.308 -1.344 1.00 54.52 C ATOM 1210 NZ LYS A 78 -7.489 -6.553 -0.335 1.00 1.11 N ATOM 0 H LYS A 78 -7.768 -10.453 -3.801 1.00 71.01 H new ATOM 0 HA LYS A 78 -7.306 -9.670 -6.617 1.00 45.55 H new ATOM 0 HB2 LYS A 78 -7.178 -7.374 -5.418 1.00 14.24 H new ATOM 0 HB3 LYS A 78 -8.707 -8.043 -5.952 1.00 14.24 H new ATOM 0 HG2 LYS A 78 -9.306 -7.230 -3.913 1.00 45.14 H new ATOM 0 HG3 LYS A 78 -8.927 -8.888 -3.491 1.00 45.14 H new ATOM 0 HD2 LYS A 78 -6.724 -8.142 -2.604 1.00 2.24 H new ATOM 0 HD3 LYS A 78 -7.142 -6.485 -2.992 1.00 2.24 H new ATOM 0 HE2 LYS A 78 -9.220 -6.815 -1.493 1.00 54.52 H new ATOM 0 HE3 LYS A 78 -8.469 -8.303 -0.952 1.00 54.52 H new ATOM 0 HZ1 LYS A 78 -7.673 -6.948 0.609 1.00 1.11 H new ATOM 0 HZ2 LYS A 78 -6.474 -6.624 -0.548 1.00 1.11 H new ATOM 0 HZ3 LYS A 78 -7.777 -5.554 -0.354 1.00 1.11 H new ATOM 1224 N THR A 79 -4.837 -9.872 -6.118 1.00 62.02 N ATOM 1225 CA THR A 79 -3.411 -9.761 -5.860 1.00 11.43 C ATOM 1226 C THR A 79 -3.014 -8.291 -6.019 1.00 25.30 C ATOM 1227 O THR A 79 -3.182 -7.699 -7.085 1.00 31.01 O ATOM 1228 CB THR A 79 -2.596 -10.772 -6.678 1.00 34.04 C ATOM 1229 OG1 THR A 79 -3.059 -12.099 -6.436 1.00 13.53 O ATOM 1230 CG2 THR A 79 -1.143 -10.759 -6.210 1.00 34.01 C ATOM 0 H THR A 79 -5.082 -10.256 -7.031 1.00 62.02 H new ATOM 0 HA THR A 79 -3.171 -10.044 -4.835 1.00 11.43 H new ATOM 0 HB THR A 79 -2.696 -10.498 -7.728 1.00 34.04 H new ATOM 0 HG1 THR A 79 -2.531 -12.732 -6.966 1.00 13.53 H new ATOM 0 HG21 THR A 79 -0.567 -11.478 -6.793 1.00 34.01 H new ATOM 0 HG22 THR A 79 -0.725 -9.762 -6.348 1.00 34.01 H new ATOM 0 HG23 THR A 79 -1.098 -11.028 -5.155 1.00 34.01 H new ATOM 1238 N ILE A 80 -2.591 -7.667 -4.926 1.00 72.32 N ATOM 1239 CA ILE A 80 -2.193 -6.271 -4.839 1.00 14.51 C ATOM 1240 C ILE A 80 -0.992 -6.041 -5.776 1.00 43.15 C ATOM 1241 O ILE A 80 -0.287 -6.980 -6.151 1.00 44.11 O ATOM 1242 CB ILE A 80 -1.912 -5.941 -3.346 1.00 52.23 C ATOM 1243 CG1 ILE A 80 -3.068 -6.334 -2.389 1.00 54.35 C ATOM 1244 CG2 ILE A 80 -1.583 -4.463 -3.072 1.00 2.41 C ATOM 1245 CD1 ILE A 80 -4.445 -5.781 -2.768 1.00 73.13 C ATOM 0 H ILE A 80 -2.513 -8.149 -4.030 1.00 72.32 H new ATOM 0 HA ILE A 80 -2.975 -5.589 -5.172 1.00 14.51 H new ATOM 0 HB ILE A 80 -1.033 -6.552 -3.142 1.00 52.23 H new ATOM 0 HG12 ILE A 80 -3.130 -7.421 -2.347 1.00 54.35 H new ATOM 0 HG13 ILE A 80 -2.820 -5.990 -1.385 1.00 54.35 H new ATOM 0 HG21 ILE A 80 -1.401 -4.322 -2.007 1.00 2.41 H new ATOM 0 HG22 ILE A 80 -0.693 -4.178 -3.633 1.00 2.41 H new ATOM 0 HG23 ILE A 80 -2.422 -3.840 -3.382 1.00 2.41 H new ATOM 0 HD11 ILE A 80 -5.184 -6.112 -2.038 1.00 73.13 H new ATOM 0 HD12 ILE A 80 -4.409 -4.692 -2.780 1.00 73.13 H new ATOM 0 HD13 ILE A 80 -4.724 -6.145 -3.757 1.00 73.13 H new ATOM 1257 N ASN A 81 -0.775 -4.793 -6.187 1.00 25.10 N ATOM 1258 CA ASN A 81 0.381 -4.332 -6.962 1.00 24.41 C ATOM 1259 C ASN A 81 1.161 -3.339 -6.113 1.00 54.55 C ATOM 1260 O ASN A 81 0.564 -2.704 -5.244 1.00 44.41 O ATOM 1261 CB ASN A 81 -0.085 -3.607 -8.234 1.00 11.52 C ATOM 1262 CG ASN A 81 0.416 -4.258 -9.503 1.00 23.02 C ATOM 1263 OD1 ASN A 81 1.351 -3.759 -10.116 1.00 21.34 O ATOM 1264 ND2 ASN A 81 -0.219 -5.327 -9.947 1.00 41.41 N ATOM 0 H ASN A 81 -1.430 -4.039 -5.980 1.00 25.10 H new ATOM 0 HA ASN A 81 0.995 -5.190 -7.236 1.00 24.41 H new ATOM 0 HB2 ASN A 81 -1.175 -3.580 -8.252 1.00 11.52 H new ATOM 0 HB3 ASN A 81 0.259 -2.573 -8.203 1.00 11.52 H new ATOM 0 HD21 ASN A 81 0.066 -5.761 -10.825 1.00 41.41 H new ATOM 0 HD22 ASN A 81 -0.994 -5.718 -9.412 1.00 41.41 H new ATOM 1271 N VAL A 82 2.431 -3.116 -6.435 1.00 71.34 N ATOM 1272 CA VAL A 82 3.322 -2.185 -5.748 1.00 33.43 C ATOM 1273 C VAL A 82 3.805 -1.164 -6.776 1.00 63.42 C ATOM 1274 O VAL A 82 4.229 -1.543 -7.870 1.00 12.31 O ATOM 1275 CB VAL A 82 4.519 -2.938 -5.111 1.00 30.44 C ATOM 1276 CG1 VAL A 82 5.269 -2.039 -4.113 1.00 62.03 C ATOM 1277 CG2 VAL A 82 4.102 -4.210 -4.354 1.00 53.23 C ATOM 0 H VAL A 82 2.886 -3.597 -7.211 1.00 71.34 H new ATOM 0 HA VAL A 82 2.794 -1.683 -4.938 1.00 33.43 H new ATOM 0 HB VAL A 82 5.157 -3.217 -5.950 1.00 30.44 H new ATOM 0 HG11 VAL A 82 6.103 -2.592 -3.681 1.00 62.03 H new ATOM 0 HG12 VAL A 82 5.647 -1.157 -4.630 1.00 62.03 H new ATOM 0 HG13 VAL A 82 4.589 -1.730 -3.319 1.00 62.03 H new ATOM 0 HG21 VAL A 82 4.986 -4.689 -3.933 1.00 53.23 H new ATOM 0 HG22 VAL A 82 3.414 -3.946 -3.550 1.00 53.23 H new ATOM 0 HG23 VAL A 82 3.610 -4.898 -5.042 1.00 53.23 H new ATOM 1287 N GLU A 83 3.834 0.114 -6.415 1.00 54.34 N ATOM 1288 CA GLU A 83 4.531 1.161 -7.145 1.00 22.42 C ATOM 1289 C GLU A 83 5.423 1.938 -6.193 1.00 10.10 C ATOM 1290 O GLU A 83 5.241 1.945 -4.976 1.00 61.02 O ATOM 1291 CB GLU A 83 3.539 2.128 -7.820 1.00 10.12 C ATOM 1292 CG GLU A 83 3.221 1.788 -9.271 1.00 43.44 C ATOM 1293 CD GLU A 83 2.275 2.816 -9.907 1.00 41.23 C ATOM 1294 OE1 GLU A 83 2.650 3.409 -10.947 1.00 2.34 O ATOM 1295 OE2 GLU A 83 1.177 3.116 -9.384 1.00 3.10 O ATOM 0 H GLU A 83 3.358 0.458 -5.581 1.00 54.34 H new ATOM 0 HA GLU A 83 5.133 0.690 -7.922 1.00 22.42 H new ATOM 0 HB2 GLU A 83 2.611 2.135 -7.249 1.00 10.12 H new ATOM 0 HB3 GLU A 83 3.947 3.138 -7.777 1.00 10.12 H new ATOM 0 HG2 GLU A 83 4.147 1.744 -9.844 1.00 43.44 H new ATOM 0 HG3 GLU A 83 2.767 0.798 -9.321 1.00 43.44 H new ATOM 1302 N PHE A 84 6.349 2.670 -6.796 1.00 73.31 N ATOM 1303 CA PHE A 84 7.335 3.494 -6.111 1.00 12.53 C ATOM 1304 C PHE A 84 7.271 4.911 -6.678 1.00 5.30 C ATOM 1305 O PHE A 84 7.886 5.194 -7.704 1.00 10.31 O ATOM 1306 CB PHE A 84 8.721 2.841 -6.257 1.00 63.25 C ATOM 1307 CG PHE A 84 9.851 3.428 -5.422 1.00 51.55 C ATOM 1308 CD1 PHE A 84 9.659 3.767 -4.065 1.00 43.15 C ATOM 1309 CD2 PHE A 84 11.135 3.557 -5.990 1.00 52.53 C ATOM 1310 CE1 PHE A 84 10.741 4.216 -3.286 1.00 22.41 C ATOM 1311 CE2 PHE A 84 12.214 4.014 -5.213 1.00 64.23 C ATOM 1312 CZ PHE A 84 12.017 4.340 -3.860 1.00 45.45 C ATOM 0 H PHE A 84 6.438 2.708 -7.811 1.00 73.31 H new ATOM 0 HA PHE A 84 7.128 3.565 -5.043 1.00 12.53 H new ATOM 0 HB2 PHE A 84 8.626 1.785 -6.005 1.00 63.25 H new ATOM 0 HB3 PHE A 84 9.012 2.894 -7.306 1.00 63.25 H new ATOM 0 HD1 PHE A 84 8.677 3.681 -3.623 1.00 43.15 H new ATOM 0 HD2 PHE A 84 11.291 3.303 -7.028 1.00 52.53 H new ATOM 0 HE1 PHE A 84 10.590 4.465 -2.246 1.00 22.41 H new ATOM 0 HE2 PHE A 84 13.194 4.115 -5.656 1.00 64.23 H new ATOM 0 HZ PHE A 84 12.847 4.686 -3.262 1.00 45.45 H new ATOM 1322 N ALA A 85 6.489 5.798 -6.058 1.00 61.13 N ATOM 1323 CA ALA A 85 6.519 7.228 -6.337 1.00 25.34 C ATOM 1324 C ALA A 85 7.612 7.850 -5.475 1.00 32.21 C ATOM 1325 O ALA A 85 7.357 8.300 -4.363 1.00 12.41 O ATOM 1326 CB ALA A 85 5.148 7.860 -6.087 1.00 30.12 C ATOM 0 H ALA A 85 5.812 5.537 -5.342 1.00 61.13 H new ATOM 0 HA ALA A 85 6.747 7.411 -7.387 1.00 25.34 H new ATOM 0 HB1 ALA A 85 5.195 8.928 -6.302 1.00 30.12 H new ATOM 0 HB2 ALA A 85 4.408 7.391 -6.735 1.00 30.12 H new ATOM 0 HB3 ALA A 85 4.864 7.712 -5.045 1.00 30.12 H new ATOM 1332 N LYS A 86 8.834 7.825 -5.992 1.00 62.35 N ATOM 1333 CA LYS A 86 10.036 8.433 -5.459 1.00 51.53 C ATOM 1334 C LYS A 86 10.507 9.476 -6.445 1.00 72.41 C ATOM 1335 O LYS A 86 11.041 9.129 -7.500 1.00 61.31 O ATOM 1336 CB LYS A 86 11.071 7.345 -5.189 1.00 34.43 C ATOM 1337 CG LYS A 86 12.459 7.834 -4.770 1.00 14.30 C ATOM 1338 CD LYS A 86 12.559 9.126 -3.934 1.00 10.24 C ATOM 1339 CE LYS A 86 13.967 9.097 -3.332 1.00 63.25 C ATOM 1340 NZ LYS A 86 14.092 10.038 -2.219 1.00 51.43 N ATOM 0 H LYS A 86 9.020 7.337 -6.868 1.00 62.35 H new ATOM 0 HA LYS A 86 9.855 8.932 -4.507 1.00 51.53 H new ATOM 0 HB2 LYS A 86 10.686 6.690 -4.407 1.00 34.43 H new ATOM 0 HB3 LYS A 86 11.177 6.739 -6.089 1.00 34.43 H new ATOM 0 HG2 LYS A 86 12.936 7.034 -4.204 1.00 14.30 H new ATOM 0 HG3 LYS A 86 13.048 7.978 -5.676 1.00 14.30 H new ATOM 0 HD2 LYS A 86 12.412 10.010 -4.554 1.00 10.24 H new ATOM 0 HD3 LYS A 86 11.797 9.153 -3.155 1.00 10.24 H new ATOM 0 HE2 LYS A 86 14.195 8.089 -2.985 1.00 63.25 H new ATOM 0 HE3 LYS A 86 14.698 9.343 -4.102 1.00 63.25 H new ATOM 0 HZ1 LYS A 86 15.029 9.934 -1.780 1.00 51.43 H new ATOM 0 HZ2 LYS A 86 13.981 11.010 -2.572 1.00 51.43 H new ATOM 0 HZ3 LYS A 86 13.355 9.840 -1.513 1.00 51.43 H new ATOM 1354 N GLY A 87 10.323 10.750 -6.115 1.00 42.25 N ATOM 1355 CA GLY A 87 10.720 11.841 -6.987 1.00 12.42 C ATOM 1356 C GLY A 87 12.234 11.924 -7.134 1.00 13.51 C ATOM 1357 O GLY A 87 12.895 12.550 -6.298 1.00 62.01 O ATOM 0 H GLY A 87 9.896 11.051 -5.239 1.00 42.25 H new ATOM 0 HA2 GLY A 87 10.266 11.705 -7.969 1.00 12.42 H new ATOM 0 HA3 GLY A 87 10.341 12.782 -6.588 1.00 12.42 H new ATOM 1361 N SER A 88 12.773 11.362 -8.214 1.00 3.34 N ATOM 1362 CA SER A 88 13.945 11.911 -8.888 1.00 23.44 C ATOM 1363 C SER A 88 13.500 13.068 -9.788 1.00 5.31 C ATOM 1364 O SER A 88 14.351 13.641 -10.499 1.00 11.31 O ATOM 1365 CB SER A 88 14.653 10.810 -9.666 1.00 45.53 C ATOM 1366 OG SER A 88 15.431 9.990 -8.807 1.00 42.35 O ATOM 0 H SER A 88 12.408 10.513 -8.646 1.00 3.34 H new ATOM 0 HA SER A 88 14.660 12.302 -8.164 1.00 23.44 H new ATOM 0 HB2 SER A 88 13.916 10.199 -10.187 1.00 45.53 H new ATOM 0 HB3 SER A 88 15.294 11.254 -10.427 1.00 45.53 H new ATOM 0 HG SER A 88 15.873 9.291 -9.333 1.00 42.35 H new TER 1372 SER A 88