USER MOD reduce.3.24.130724 H: found=0, std=0, add=770, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 655 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 64 GLN : amide:sc= -0.061 X(o=-0.013,f=0.21) USER MOD Set 1.2: A 65 SER OG : rot 180:sc= 0.0479 USER MOD Set 2.1: A 15 ASN : amide:sc= 1.8 K(o=3.5,f=0.18) USER MOD Set 2.2: A 17 THR OG1 : rot 147:sc= 1.66 USER MOD Set 3.1: A 16 GLN : amide:sc= 0 X(o=0,f=0.17) USER MOD Set 3.2: A 42 HIS : no HD1:sc= 0 X(o=0,f=0.17) USER MOD Set 4.1: A 9 THR OG1 : rot 95:sc= 0.0539 USER MOD Set 4.2: A 49 SER OG : rot 69:sc= 0.848 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 GLN : amide:sc= 0 X(o=0,f=-0.00058) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 ASN : amide:sc= -0.505 K(o=-0.5,f=-3.4!) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 ASN : amide:sc= -2.59! X(o=-2.6!,f=-2.3) USER MOD Single : A 25 LYS NZ :NH3+ -174:sc= 0.283 (180deg=0.238) USER MOD Single : A 27 THR OG1 : rot 89:sc= 0.253 USER MOD Single : A 29 ASN : amide:sc= 0.265 K(o=0.26,f=-1.7!) USER MOD Single : A 32 LYS NZ :NH3+ -106:sc= 0.217 (180deg=0) USER MOD Single : A 34 GLN : amide:sc=-0.00187 X(o=-0.0019,f=-0.025) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 ASN : amide:sc= -0.0142 X(o=-0.014,f=-0.063) USER MOD Single : A 38 THR OG1 : rot 1:sc= 0.506 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ 127:sc= 1.26 (180deg=-0.644) USER MOD Single : A 57 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0.613 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 HIS : no HE2:sc= 0.857 K(o=0.86,f=-3.7!) USER MOD Single : A 74 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.024) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 ASN : amide:sc= 1.1 K(o=1.1,f=-0.063) USER MOD Single : A 94 GLN : amide:sc= 0.122 X(o=0.12,f=-0.063) USER MOD Single : A 99 GLN : amide:sc= 0.538 K(o=0.54,f=-0.23) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -6.807 22.247 -3.558 1.00 1.34 N ATOM 2 CA GLY A 1 -5.887 22.833 -4.541 1.00 24.32 C ATOM 3 C GLY A 1 -4.502 22.908 -3.943 1.00 34.22 C ATOM 4 O GLY A 1 -3.977 23.993 -3.693 1.00 73.43 O ATOM 0 H1 GLY A 1 -7.762 22.193 -3.966 1.00 1.34 H new ATOM 0 H2 GLY A 1 -6.484 21.291 -3.307 1.00 1.34 H new ATOM 0 H3 GLY A 1 -6.828 22.841 -2.705 1.00 1.34 H new ATOM 0 HA2 GLY A 1 -5.872 22.229 -5.448 1.00 24.32 H new ATOM 0 HA3 GLY A 1 -6.227 23.828 -4.827 1.00 24.32 H new ATOM 8 N ALA A 2 -3.904 21.745 -3.701 1.00 14.31 N ATOM 9 CA ALA A 2 -2.490 21.647 -3.426 1.00 41.44 C ATOM 10 C ALA A 2 -1.749 21.929 -4.728 1.00 3.45 C ATOM 11 O ALA A 2 -2.239 21.557 -5.798 1.00 55.43 O ATOM 12 CB ALA A 2 -2.171 20.235 -2.928 1.00 40.24 C ATOM 0 H ALA A 2 -4.393 20.850 -3.692 1.00 14.31 H new ATOM 0 HA ALA A 2 -2.186 22.360 -2.660 1.00 41.44 H new ATOM 0 HB1 ALA A 2 -1.104 20.155 -2.719 1.00 40.24 H new ATOM 0 HB2 ALA A 2 -2.735 20.034 -2.017 1.00 40.24 H new ATOM 0 HB3 ALA A 2 -2.446 19.509 -3.693 1.00 40.24 H new ATOM 18 N GLN A 3 -0.543 22.476 -4.614 1.00 23.22 N ATOM 19 CA GLN A 3 0.462 22.351 -5.650 1.00 43.24 C ATOM 20 C GLN A 3 1.530 21.434 -5.071 1.00 5.41 C ATOM 21 O GLN A 3 1.486 20.224 -5.288 1.00 42.01 O ATOM 22 CB GLN A 3 0.989 23.724 -6.107 1.00 2.22 C ATOM 23 CG GLN A 3 -0.106 24.569 -6.771 1.00 51.41 C ATOM 24 CD GLN A 3 0.479 25.803 -7.456 1.00 61.30 C ATOM 25 OE1 GLN A 3 1.313 26.512 -6.896 1.00 21.13 O ATOM 26 NE2 GLN A 3 0.062 26.104 -8.673 1.00 13.34 N ATOM 0 H GLN A 3 -0.241 23.015 -3.802 1.00 23.22 H new ATOM 0 HA GLN A 3 0.060 21.920 -6.567 1.00 43.24 H new ATOM 0 HB2 GLN A 3 1.391 24.262 -5.248 1.00 2.22 H new ATOM 0 HB3 GLN A 3 1.812 23.581 -6.808 1.00 2.22 H new ATOM 0 HG2 GLN A 3 -0.641 23.964 -7.503 1.00 51.41 H new ATOM 0 HG3 GLN A 3 -0.834 24.878 -6.021 1.00 51.41 H new ATOM 0 HE21 GLN A 3 -0.630 25.514 -9.135 1.00 13.34 H new ATOM 0 HE22 GLN A 3 0.432 26.926 -9.150 1.00 13.34 H new ATOM 33 N ASP A 4 2.446 21.979 -4.270 1.00 61.53 N ATOM 34 CA ASP A 4 3.693 21.313 -3.882 1.00 3.02 C ATOM 35 C ASP A 4 4.089 21.738 -2.460 1.00 5.04 C ATOM 36 O ASP A 4 5.266 21.868 -2.109 1.00 30.11 O ATOM 37 CB ASP A 4 4.757 21.669 -4.928 1.00 2.03 C ATOM 38 CG ASP A 4 5.764 20.549 -5.157 1.00 24.11 C ATOM 39 OD1 ASP A 4 6.380 20.057 -4.184 1.00 71.44 O ATOM 40 OD2 ASP A 4 5.939 20.170 -6.336 1.00 42.42 O ATOM 0 H ASP A 4 2.342 22.910 -3.866 1.00 61.53 H new ATOM 0 HA ASP A 4 3.580 20.229 -3.859 1.00 3.02 H new ATOM 0 HB2 ASP A 4 4.266 21.907 -5.871 1.00 2.03 H new ATOM 0 HB3 ASP A 4 5.286 22.567 -4.609 1.00 2.03 H new ATOM 44 N GLY A 5 3.081 22.076 -1.659 1.00 34.53 N ATOM 45 CA GLY A 5 3.196 22.551 -0.303 1.00 24.43 C ATOM 46 C GLY A 5 2.736 21.473 0.663 1.00 72.10 C ATOM 47 O GLY A 5 2.394 20.355 0.278 1.00 1.24 O ATOM 0 H GLY A 5 2.110 22.018 -1.967 1.00 34.53 H new ATOM 0 HA2 GLY A 5 4.229 22.825 -0.091 1.00 24.43 H new ATOM 0 HA3 GLY A 5 2.594 23.450 -0.171 1.00 24.43 H new ATOM 51 N LYS A 6 2.698 21.835 1.937 1.00 71.54 N ATOM 52 CA LYS A 6 2.405 20.935 3.051 1.00 64.11 C ATOM 53 C LYS A 6 0.901 20.667 3.206 1.00 30.13 C ATOM 54 O LYS A 6 0.335 20.863 4.283 1.00 44.34 O ATOM 55 CB LYS A 6 3.077 21.442 4.341 1.00 64.21 C ATOM 56 CG LYS A 6 2.808 22.901 4.742 1.00 32.22 C ATOM 57 CD LYS A 6 3.748 23.918 4.062 1.00 53.23 C ATOM 58 CE LYS A 6 4.480 24.778 5.103 1.00 61.53 C ATOM 59 NZ LYS A 6 5.362 25.787 4.489 1.00 25.11 N ATOM 0 H LYS A 6 2.876 22.794 2.237 1.00 71.54 H new ATOM 0 HA LYS A 6 2.839 19.960 2.828 1.00 64.11 H new ATOM 0 HB2 LYS A 6 2.759 20.801 5.163 1.00 64.21 H new ATOM 0 HB3 LYS A 6 4.154 21.313 4.235 1.00 64.21 H new ATOM 0 HG2 LYS A 6 1.777 23.152 4.494 1.00 32.22 H new ATOM 0 HG3 LYS A 6 2.908 22.995 5.823 1.00 32.22 H new ATOM 0 HD2 LYS A 6 4.476 23.390 3.446 1.00 53.23 H new ATOM 0 HD3 LYS A 6 3.173 24.560 3.395 1.00 53.23 H new ATOM 0 HE2 LYS A 6 3.747 25.279 5.735 1.00 61.53 H new ATOM 0 HE3 LYS A 6 5.071 24.131 5.752 1.00 61.53 H new ATOM 0 HZ1 LYS A 6 5.831 26.339 5.236 1.00 25.11 H new ATOM 0 HZ2 LYS A 6 6.081 25.312 3.907 1.00 25.11 H new ATOM 0 HZ3 LYS A 6 4.798 26.423 3.891 1.00 25.11 H new ATOM 69 N GLU A 7 0.218 20.247 2.146 1.00 21.53 N ATOM 70 CA GLU A 7 -1.237 20.051 2.117 1.00 50.44 C ATOM 71 C GLU A 7 -1.566 18.792 1.309 1.00 45.00 C ATOM 72 O GLU A 7 -2.518 18.775 0.522 1.00 4.02 O ATOM 73 CB GLU A 7 -1.934 21.299 1.549 1.00 45.04 C ATOM 74 CG GLU A 7 -1.636 22.579 2.342 1.00 61.30 C ATOM 75 CD GLU A 7 -2.319 23.810 1.757 1.00 24.31 C ATOM 76 OE1 GLU A 7 -2.535 23.860 0.525 1.00 33.45 O ATOM 77 OE2 GLU A 7 -2.560 24.761 2.542 1.00 10.45 O ATOM 0 H GLU A 7 0.668 20.026 1.258 1.00 21.53 H new ATOM 0 HA GLU A 7 -1.610 19.909 3.131 1.00 50.44 H new ATOM 0 HB2 GLU A 7 -1.622 21.441 0.514 1.00 45.04 H new ATOM 0 HB3 GLU A 7 -3.011 21.131 1.537 1.00 45.04 H new ATOM 0 HG2 GLU A 7 -1.961 22.445 3.374 1.00 61.30 H new ATOM 0 HG3 GLU A 7 -0.559 22.744 2.365 1.00 61.30 H new ATOM 82 N THR A 8 -0.726 17.768 1.460 1.00 53.44 N ATOM 83 CA THR A 8 -0.706 16.538 0.682 1.00 72.32 C ATOM 84 C THR A 8 -0.357 15.365 1.601 1.00 12.21 C ATOM 85 O THR A 8 0.424 15.515 2.545 1.00 72.21 O ATOM 86 CB THR A 8 0.289 16.679 -0.491 1.00 51.10 C ATOM 87 OG1 THR A 8 1.349 17.575 -0.188 1.00 41.31 O ATOM 88 CG2 THR A 8 -0.446 17.187 -1.736 1.00 13.13 C ATOM 0 H THR A 8 0.002 17.780 2.174 1.00 53.44 H new ATOM 0 HA THR A 8 -1.689 16.344 0.252 1.00 72.32 H new ATOM 0 HB THR A 8 0.717 15.693 -0.672 1.00 51.10 H new ATOM 0 HG1 THR A 8 1.956 17.635 -0.955 1.00 41.31 H new ATOM 0 HG21 THR A 8 0.260 17.285 -2.561 1.00 13.13 H new ATOM 0 HG22 THR A 8 -1.229 16.480 -2.010 1.00 13.13 H new ATOM 0 HG23 THR A 8 -0.893 18.158 -1.524 1.00 13.13 H new ATOM 96 N THR A 9 -0.958 14.209 1.339 1.00 71.50 N ATOM 97 CA THR A 9 -0.756 12.979 2.088 1.00 14.14 C ATOM 98 C THR A 9 0.534 12.275 1.707 1.00 24.51 C ATOM 99 O THR A 9 1.000 12.372 0.565 1.00 12.41 O ATOM 100 CB THR A 9 -1.904 12.018 1.760 1.00 30.44 C ATOM 101 OG1 THR A 9 -2.231 12.143 0.397 1.00 70.50 O ATOM 102 CG2 THR A 9 -3.114 12.331 2.611 1.00 41.13 C ATOM 0 H THR A 9 -1.622 14.102 0.572 1.00 71.50 H new ATOM 0 HA THR A 9 -0.715 13.243 3.145 1.00 14.14 H new ATOM 0 HB THR A 9 -1.590 10.996 1.972 1.00 30.44 H new ATOM 0 HG1 THR A 9 -1.759 11.455 -0.117 1.00 70.50 H new ATOM 0 HG21 THR A 9 -3.920 11.640 2.366 1.00 41.13 H new ATOM 0 HG22 THR A 9 -2.855 12.227 3.665 1.00 41.13 H new ATOM 0 HG23 THR A 9 -3.441 13.353 2.417 1.00 41.13 H new ATOM 110 N THR A 10 0.973 11.398 2.607 1.00 13.41 N ATOM 111 CA THR A 10 2.043 10.454 2.376 1.00 5.23 C ATOM 112 C THR A 10 1.474 9.032 2.457 1.00 31.55 C ATOM 113 O THR A 10 0.447 8.803 3.109 1.00 5.31 O ATOM 114 CB THR A 10 3.150 10.697 3.423 1.00 4.34 C ATOM 115 OG1 THR A 10 3.234 12.062 3.794 1.00 21.53 O ATOM 116 CG2 THR A 10 4.536 10.275 2.925 1.00 70.50 C ATOM 0 H THR A 10 0.576 11.330 3.544 1.00 13.41 H new ATOM 0 HA THR A 10 2.480 10.583 1.386 1.00 5.23 H new ATOM 0 HB THR A 10 2.866 10.085 4.279 1.00 4.34 H new ATOM 0 HG1 THR A 10 3.944 12.177 4.459 1.00 21.53 H new ATOM 0 HG21 THR A 10 5.276 10.468 3.702 1.00 70.50 H new ATOM 0 HG22 THR A 10 4.529 9.211 2.687 1.00 70.50 H new ATOM 0 HG23 THR A 10 4.791 10.845 2.031 1.00 70.50 H new ATOM 124 N ILE A 11 2.127 8.068 1.815 1.00 43.40 N ATOM 125 CA ILE A 11 1.829 6.642 1.885 1.00 2.45 C ATOM 126 C ILE A 11 3.094 5.965 2.426 1.00 5.02 C ATOM 127 O ILE A 11 4.201 6.512 2.347 1.00 54.40 O ATOM 128 CB ILE A 11 1.376 6.126 0.490 1.00 34.14 C ATOM 129 CG1 ILE A 11 0.034 6.786 0.092 1.00 23.15 C ATOM 130 CG2 ILE A 11 1.197 4.595 0.437 1.00 34.31 C ATOM 131 CD1 ILE A 11 -0.331 6.647 -1.388 1.00 73.23 C ATOM 0 H ILE A 11 2.917 8.270 1.202 1.00 43.40 H new ATOM 0 HA ILE A 11 0.998 6.412 2.552 1.00 2.45 H new ATOM 0 HB ILE A 11 2.171 6.395 -0.206 1.00 34.14 H new ATOM 0 HG12 ILE A 11 -0.763 6.347 0.692 1.00 23.15 H new ATOM 0 HG13 ILE A 11 0.077 7.846 0.344 1.00 23.15 H new ATOM 0 HG21 ILE A 11 0.880 4.300 -0.563 1.00 34.31 H new ATOM 0 HG22 ILE A 11 2.143 4.110 0.676 1.00 34.31 H new ATOM 0 HG23 ILE A 11 0.441 4.292 1.161 1.00 34.31 H new ATOM 0 HD11 ILE A 11 -1.286 7.139 -1.575 1.00 73.23 H new ATOM 0 HD12 ILE A 11 0.443 7.112 -1.999 1.00 73.23 H new ATOM 0 HD13 ILE A 11 -0.410 5.591 -1.646 1.00 73.23 H new ATOM 142 N ARG A 12 2.962 4.756 2.972 1.00 61.53 N ATOM 143 CA ARG A 12 4.088 3.856 3.182 1.00 72.44 C ATOM 144 C ARG A 12 3.655 2.451 2.811 1.00 1.34 C ATOM 145 O ARG A 12 2.518 2.064 3.075 1.00 30.13 O ATOM 146 CB ARG A 12 4.571 3.935 4.639 1.00 44.21 C ATOM 147 CG ARG A 12 5.768 3.013 4.941 1.00 73.50 C ATOM 148 CD ARG A 12 5.866 2.713 6.431 1.00 53.01 C ATOM 149 NE ARG A 12 6.153 3.933 7.197 1.00 24.14 N ATOM 150 CZ ARG A 12 7.246 4.677 7.001 1.00 11.32 C ATOM 151 NH1 ARG A 12 8.365 4.150 6.513 1.00 73.33 N ATOM 152 NH2 ARG A 12 7.193 5.978 7.225 1.00 53.01 N ATOM 0 H ARG A 12 2.067 4.375 3.281 1.00 61.53 H new ATOM 0 HA ARG A 12 4.928 4.146 2.551 1.00 72.44 H new ATOM 0 HB2 ARG A 12 4.849 4.964 4.866 1.00 44.21 H new ATOM 0 HB3 ARG A 12 3.746 3.674 5.302 1.00 44.21 H new ATOM 0 HG2 ARG A 12 5.663 2.081 4.385 1.00 73.50 H new ATOM 0 HG3 ARG A 12 6.690 3.485 4.600 1.00 73.50 H new ATOM 0 HD2 ARG A 12 4.932 2.273 6.779 1.00 53.01 H new ATOM 0 HD3 ARG A 12 6.650 1.977 6.606 1.00 53.01 H new ATOM 0 HE ARG A 12 5.487 4.226 7.912 1.00 24.14 H new ATOM 0 HH11 ARG A 12 8.402 3.158 6.280 1.00 73.33 H new ATOM 0 HH12 ARG A 12 9.186 4.738 6.372 1.00 73.33 H new ATOM 0 HH21 ARG A 12 6.324 6.406 7.544 1.00 53.01 H new ATOM 0 HH22 ARG A 12 8.021 6.555 7.079 1.00 53.01 H new ATOM 163 N LEU A 13 4.574 1.673 2.254 1.00 12.31 N ATOM 164 CA LEU A 13 4.420 0.240 2.085 1.00 44.00 C ATOM 165 C LEU A 13 5.373 -0.484 3.019 1.00 5.13 C ATOM 166 O LEU A 13 6.516 -0.055 3.175 1.00 31.51 O ATOM 167 CB LEU A 13 4.728 -0.137 0.619 1.00 30.11 C ATOM 168 CG LEU A 13 3.589 -0.026 -0.416 1.00 11.35 C ATOM 169 CD1 LEU A 13 2.931 -1.388 -0.597 1.00 74.21 C ATOM 170 CD2 LEU A 13 2.522 1.033 -0.119 1.00 45.40 C ATOM 0 H LEU A 13 5.462 2.030 1.902 1.00 12.31 H new ATOM 0 HA LEU A 13 3.397 -0.052 2.323 1.00 44.00 H new ATOM 0 HB2 LEU A 13 5.550 0.493 0.279 1.00 30.11 H new ATOM 0 HB3 LEU A 13 5.089 -1.165 0.608 1.00 30.11 H new ATOM 0 HG LEU A 13 4.069 0.312 -1.334 1.00 11.35 H new ATOM 0 HD11 LEU A 13 2.126 -1.309 -1.328 1.00 74.21 H new ATOM 0 HD12 LEU A 13 3.672 -2.106 -0.949 1.00 74.21 H new ATOM 0 HD13 LEU A 13 2.523 -1.725 0.356 1.00 74.21 H new ATOM 0 HD21 LEU A 13 1.771 1.025 -0.909 1.00 45.40 H new ATOM 0 HD22 LEU A 13 2.046 0.812 0.836 1.00 45.40 H new ATOM 0 HD23 LEU A 13 2.989 2.017 -0.072 1.00 45.40 H new ATOM 181 N ILE A 14 4.906 -1.577 3.629 1.00 62.30 N ATOM 182 CA ILE A 14 5.636 -2.347 4.625 1.00 50.03 C ATOM 183 C ILE A 14 5.494 -3.835 4.293 1.00 25.53 C ATOM 184 O ILE A 14 4.433 -4.430 4.503 1.00 5.32 O ATOM 185 CB ILE A 14 5.089 -2.057 6.039 1.00 43.24 C ATOM 186 CG1 ILE A 14 4.903 -0.564 6.378 1.00 71.23 C ATOM 187 CG2 ILE A 14 6.049 -2.684 7.060 1.00 23.54 C ATOM 188 CD1 ILE A 14 3.519 -0.009 6.015 1.00 52.31 C ATOM 0 H ILE A 14 3.980 -1.957 3.433 1.00 62.30 H new ATOM 0 HA ILE A 14 6.689 -2.064 4.609 1.00 50.03 H new ATOM 0 HB ILE A 14 4.089 -2.490 6.075 1.00 43.24 H new ATOM 0 HG12 ILE A 14 5.072 -0.421 7.445 1.00 71.23 H new ATOM 0 HG13 ILE A 14 5.664 0.014 5.854 1.00 71.23 H new ATOM 0 HG21 ILE A 14 5.683 -2.492 8.069 1.00 23.54 H new ATOM 0 HG22 ILE A 14 6.106 -3.760 6.893 1.00 23.54 H new ATOM 0 HG23 ILE A 14 7.040 -2.246 6.944 1.00 23.54 H new ATOM 0 HD11 ILE A 14 3.468 1.046 6.284 1.00 52.31 H new ATOM 0 HD12 ILE A 14 3.353 -0.118 4.943 1.00 52.31 H new ATOM 0 HD13 ILE A 14 2.752 -0.560 6.559 1.00 52.31 H new ATOM 199 N ASN A 15 6.554 -4.444 3.767 1.00 4.02 N ATOM 200 CA ASN A 15 6.577 -5.862 3.447 1.00 71.42 C ATOM 201 C ASN A 15 6.724 -6.758 4.691 1.00 13.34 C ATOM 202 O ASN A 15 7.844 -7.183 4.975 1.00 42.31 O ATOM 203 CB ASN A 15 7.730 -6.110 2.459 1.00 54.23 C ATOM 204 CG ASN A 15 7.600 -7.472 1.800 1.00 62.32 C ATOM 205 OD1 ASN A 15 6.507 -7.922 1.465 1.00 72.32 O ATOM 206 ND2 ASN A 15 8.722 -8.125 1.598 1.00 33.21 N ATOM 0 H ASN A 15 7.426 -3.960 3.551 1.00 4.02 H new ATOM 0 HA ASN A 15 5.619 -6.130 3.001 1.00 71.42 H new ATOM 0 HB2 ASN A 15 7.733 -5.332 1.696 1.00 54.23 H new ATOM 0 HB3 ASN A 15 8.683 -6.046 2.984 1.00 54.23 H new ATOM 0 HD21 ASN A 15 8.705 -9.040 1.148 1.00 33.21 H new ATOM 0 HD22 ASN A 15 9.610 -7.717 1.891 1.00 33.21 H new ATOM 212 N GLN A 16 5.679 -7.030 5.484 1.00 61.35 N ATOM 213 CA GLN A 16 5.793 -7.848 6.706 1.00 13.40 C ATOM 214 C GLN A 16 5.553 -9.328 6.405 1.00 72.14 C ATOM 215 O GLN A 16 4.669 -9.969 6.974 1.00 24.44 O ATOM 216 CB GLN A 16 4.873 -7.357 7.842 1.00 41.35 C ATOM 217 CG GLN A 16 5.087 -5.883 8.184 1.00 12.24 C ATOM 218 CD GLN A 16 5.107 -5.723 9.702 1.00 64.24 C ATOM 219 OE1 GLN A 16 6.002 -6.202 10.393 1.00 44.05 O ATOM 220 NE2 GLN A 16 4.151 -5.022 10.268 1.00 11.23 N ATOM 0 H GLN A 16 4.734 -6.693 5.301 1.00 61.35 H new ATOM 0 HA GLN A 16 6.817 -7.731 7.062 1.00 13.40 H new ATOM 0 HB2 GLN A 16 3.833 -7.511 7.553 1.00 41.35 H new ATOM 0 HB3 GLN A 16 5.049 -7.961 8.732 1.00 41.35 H new ATOM 0 HG2 GLN A 16 6.025 -5.529 7.756 1.00 12.24 H new ATOM 0 HG3 GLN A 16 4.291 -5.277 7.752 1.00 12.24 H new ATOM 0 HE21 GLN A 16 3.406 -4.622 9.698 1.00 11.23 H new ATOM 0 HE22 GLN A 16 4.154 -4.877 11.278 1.00 11.23 H new ATOM 227 N THR A 17 6.335 -9.885 5.494 1.00 52.15 N ATOM 228 CA THR A 17 6.128 -11.241 4.979 1.00 70.12 C ATOM 229 C THR A 17 7.425 -12.049 4.959 1.00 2.13 C ATOM 230 O THR A 17 8.488 -11.588 5.389 1.00 45.04 O ATOM 231 CB THR A 17 5.506 -11.151 3.581 1.00 4.12 C ATOM 232 OG1 THR A 17 6.357 -10.345 2.800 1.00 25.40 O ATOM 233 CG2 THR A 17 4.081 -10.613 3.650 1.00 53.21 C ATOM 0 H THR A 17 7.139 -9.410 5.084 1.00 52.15 H new ATOM 0 HA THR A 17 5.448 -11.771 5.646 1.00 70.12 H new ATOM 0 HB THR A 17 5.420 -12.136 3.123 1.00 4.12 H new ATOM 0 HG1 THR A 17 6.346 -10.661 1.872 1.00 25.40 H new ATOM 0 HG21 THR A 17 3.663 -10.559 2.645 1.00 53.21 H new ATOM 0 HG22 THR A 17 3.470 -11.277 4.262 1.00 53.21 H new ATOM 0 HG23 THR A 17 4.089 -9.617 4.093 1.00 53.21 H new ATOM 241 N TYR A 18 7.321 -13.286 4.472 1.00 63.45 N ATOM 242 CA TYR A 18 8.432 -14.207 4.276 1.00 2.12 C ATOM 243 C TYR A 18 9.035 -14.165 2.867 1.00 43.05 C ATOM 244 O TYR A 18 9.839 -15.039 2.531 1.00 74.15 O ATOM 245 CB TYR A 18 8.007 -15.625 4.683 1.00 11.02 C ATOM 246 CG TYR A 18 7.143 -16.479 3.760 1.00 2.03 C ATOM 247 CD1 TYR A 18 6.285 -15.951 2.770 1.00 25.20 C ATOM 248 CD2 TYR A 18 7.157 -17.867 3.980 1.00 21.33 C ATOM 249 CE1 TYR A 18 5.406 -16.806 2.067 1.00 5.14 C ATOM 250 CE2 TYR A 18 6.302 -18.722 3.275 1.00 44.13 C ATOM 251 CZ TYR A 18 5.399 -18.197 2.332 1.00 10.24 C ATOM 252 OH TYR A 18 4.547 -19.055 1.704 1.00 72.43 O ATOM 0 H TYR A 18 6.425 -13.685 4.194 1.00 63.45 H new ATOM 0 HA TYR A 18 9.242 -13.876 4.927 1.00 2.12 H new ATOM 0 HB2 TYR A 18 8.919 -16.188 4.879 1.00 11.02 H new ATOM 0 HB3 TYR A 18 7.475 -15.540 5.631 1.00 11.02 H new ATOM 0 HD1 TYR A 18 6.301 -14.894 2.550 1.00 25.20 H new ATOM 0 HD2 TYR A 18 7.840 -18.282 4.707 1.00 21.33 H new ATOM 0 HE1 TYR A 18 4.737 -16.397 1.325 1.00 5.14 H new ATOM 0 HE2 TYR A 18 6.335 -19.786 3.455 1.00 44.13 H new ATOM 0 HH TYR A 18 4.704 -19.967 2.027 1.00 72.43 H new ATOM 261 N PHE A 19 8.675 -13.195 2.023 1.00 34.41 N ATOM 262 CA PHE A 19 9.181 -13.096 0.657 1.00 50.42 C ATOM 263 C PHE A 19 9.697 -11.681 0.381 1.00 25.14 C ATOM 264 O PHE A 19 9.509 -10.769 1.178 1.00 22.43 O ATOM 265 CB PHE A 19 8.106 -13.558 -0.347 1.00 14.12 C ATOM 266 CG PHE A 19 6.739 -12.927 -0.163 1.00 65.23 C ATOM 267 CD1 PHE A 19 6.578 -11.531 -0.239 1.00 50.41 C ATOM 268 CD2 PHE A 19 5.621 -13.735 0.120 1.00 33.23 C ATOM 269 CE1 PHE A 19 5.327 -10.948 0.004 1.00 30.14 C ATOM 270 CE2 PHE A 19 4.390 -13.146 0.418 1.00 61.24 C ATOM 271 CZ PHE A 19 4.237 -11.759 0.350 1.00 34.14 C ATOM 0 H PHE A 19 8.020 -12.453 2.272 1.00 34.41 H new ATOM 0 HA PHE A 19 10.032 -13.766 0.532 1.00 50.42 H new ATOM 0 HB2 PHE A 19 8.456 -13.341 -1.356 1.00 14.12 H new ATOM 0 HB3 PHE A 19 8.002 -14.640 -0.272 1.00 14.12 H new ATOM 0 HD1 PHE A 19 7.423 -10.906 -0.486 1.00 50.41 H new ATOM 0 HD2 PHE A 19 5.715 -14.811 0.107 1.00 33.23 H new ATOM 0 HE1 PHE A 19 5.203 -9.878 -0.075 1.00 30.14 H new ATOM 0 HE2 PHE A 19 3.552 -13.766 0.702 1.00 61.24 H new ATOM 0 HZ PHE A 19 3.278 -11.311 0.564 1.00 34.14 H new ATOM 280 N ASN A 20 10.311 -11.488 -0.785 1.00 63.14 N ATOM 281 CA ASN A 20 10.617 -10.186 -1.379 1.00 73.21 C ATOM 282 C ASN A 20 9.469 -9.815 -2.326 1.00 42.15 C ATOM 283 O ASN A 20 8.805 -10.719 -2.849 1.00 34.51 O ATOM 284 CB ASN A 20 11.945 -10.306 -2.152 1.00 13.03 C ATOM 285 CG ASN A 20 12.280 -9.041 -2.931 1.00 24.13 C ATOM 286 OD1 ASN A 20 12.207 -7.950 -2.396 1.00 5.03 O ATOM 287 ND2 ASN A 20 12.628 -9.129 -4.204 1.00 23.34 N ATOM 0 H ASN A 20 10.622 -12.266 -1.366 1.00 63.14 H new ATOM 0 HA ASN A 20 10.719 -9.412 -0.618 1.00 73.21 H new ATOM 0 HB2 ASN A 20 12.752 -10.522 -1.452 1.00 13.03 H new ATOM 0 HB3 ASN A 20 11.886 -11.149 -2.841 1.00 13.03 H new ATOM 0 HD21 ASN A 20 12.835 -8.284 -4.736 1.00 23.34 H new ATOM 0 HD22 ASN A 20 12.690 -10.042 -4.654 1.00 23.34 H new ATOM 293 N VAL A 21 9.255 -8.531 -2.617 1.00 1.01 N ATOM 294 CA VAL A 21 8.344 -8.078 -3.673 1.00 5.21 C ATOM 295 C VAL A 21 9.073 -7.032 -4.526 1.00 34.50 C ATOM 296 O VAL A 21 9.869 -6.256 -4.013 1.00 41.24 O ATOM 297 CB VAL A 21 7.015 -7.549 -3.095 1.00 14.23 C ATOM 298 CG1 VAL A 21 6.109 -8.640 -2.531 1.00 52.25 C ATOM 299 CG2 VAL A 21 7.211 -6.513 -1.979 1.00 22.41 C ATOM 0 H VAL A 21 9.714 -7.767 -2.121 1.00 1.01 H new ATOM 0 HA VAL A 21 8.067 -8.920 -4.307 1.00 5.21 H new ATOM 0 HB VAL A 21 6.540 -7.089 -3.962 1.00 14.23 H new ATOM 0 HG11 VAL A 21 5.195 -8.190 -2.144 1.00 52.25 H new ATOM 0 HG12 VAL A 21 5.858 -9.349 -3.320 1.00 52.25 H new ATOM 0 HG13 VAL A 21 6.626 -9.162 -1.726 1.00 52.25 H new ATOM 0 HG21 VAL A 21 6.238 -6.181 -1.616 1.00 22.41 H new ATOM 0 HG22 VAL A 21 7.770 -6.963 -1.159 1.00 22.41 H new ATOM 0 HG23 VAL A 21 7.764 -5.658 -2.369 1.00 22.41 H new ATOM 309 N LYS A 22 8.813 -6.989 -5.837 1.00 22.40 N ATOM 310 CA LYS A 22 9.689 -6.311 -6.811 1.00 63.55 C ATOM 311 C LYS A 22 8.928 -5.557 -7.889 1.00 63.22 C ATOM 312 O LYS A 22 9.441 -5.306 -8.975 1.00 0.23 O ATOM 313 CB LYS A 22 10.723 -7.305 -7.389 1.00 33.42 C ATOM 314 CG LYS A 22 10.122 -8.535 -8.094 1.00 55.35 C ATOM 315 CD LYS A 22 9.867 -9.717 -7.147 1.00 55.05 C ATOM 316 CE LYS A 22 8.916 -10.724 -7.783 1.00 43.11 C ATOM 317 NZ LYS A 22 9.599 -11.655 -8.708 1.00 62.55 N ATOM 0 H LYS A 22 7.991 -7.422 -6.257 1.00 22.40 H new ATOM 0 HA LYS A 22 10.233 -5.536 -6.271 1.00 63.55 H new ATOM 0 HB2 LYS A 22 11.358 -6.774 -8.098 1.00 33.42 H new ATOM 0 HB3 LYS A 22 11.367 -7.648 -6.579 1.00 33.42 H new ATOM 0 HG2 LYS A 22 9.183 -8.250 -8.568 1.00 55.35 H new ATOM 0 HG3 LYS A 22 10.796 -8.855 -8.889 1.00 55.35 H new ATOM 0 HD2 LYS A 22 10.811 -10.205 -6.904 1.00 55.05 H new ATOM 0 HD3 LYS A 22 9.446 -9.354 -6.210 1.00 55.05 H new ATOM 0 HE2 LYS A 22 8.423 -11.297 -6.998 1.00 43.11 H new ATOM 0 HE3 LYS A 22 8.136 -10.188 -8.325 1.00 43.11 H new ATOM 0 HZ1 LYS A 22 8.904 -12.316 -9.111 1.00 62.55 H new ATOM 0 HZ2 LYS A 22 10.048 -11.115 -9.475 1.00 62.55 H new ATOM 0 HZ3 LYS A 22 10.325 -12.189 -8.189 1.00 62.55 H new ATOM 327 N ASN A 23 7.655 -5.282 -7.631 1.00 71.41 N ATOM 328 CA ASN A 23 6.699 -4.966 -8.688 1.00 51.04 C ATOM 329 C ASN A 23 5.338 -4.567 -8.108 1.00 51.22 C ATOM 330 O ASN A 23 4.316 -5.181 -8.434 1.00 24.50 O ATOM 331 CB ASN A 23 6.550 -6.185 -9.651 1.00 72.54 C ATOM 332 CG ASN A 23 6.322 -7.531 -8.952 1.00 24.21 C ATOM 333 OD1 ASN A 23 6.712 -8.595 -9.415 1.00 20.43 O ATOM 334 ND2 ASN A 23 5.715 -7.535 -7.779 1.00 15.10 N ATOM 0 H ASN A 23 7.258 -5.271 -6.692 1.00 71.41 H new ATOM 0 HA ASN A 23 7.079 -4.113 -9.250 1.00 51.04 H new ATOM 0 HB2 ASN A 23 5.716 -5.997 -10.327 1.00 72.54 H new ATOM 0 HB3 ASN A 23 7.448 -6.257 -10.265 1.00 72.54 H new ATOM 0 HD21 ASN A 23 5.579 -8.413 -7.278 1.00 15.10 H new ATOM 0 HD22 ASN A 23 5.382 -6.660 -7.374 1.00 15.10 H new ATOM 340 N ILE A 24 5.307 -3.669 -7.127 1.00 31.53 N ATOM 341 CA ILE A 24 4.098 -3.442 -6.335 1.00 1.00 C ATOM 342 C ILE A 24 3.402 -2.193 -6.849 1.00 55.05 C ATOM 343 O ILE A 24 3.915 -1.094 -6.662 1.00 20.21 O ATOM 344 CB ILE A 24 4.425 -3.331 -4.835 1.00 54.31 C ATOM 345 CG1 ILE A 24 5.378 -4.447 -4.363 1.00 20.30 C ATOM 346 CG2 ILE A 24 3.126 -3.379 -4.030 1.00 43.45 C ATOM 347 CD1 ILE A 24 6.842 -3.994 -4.356 1.00 25.12 C ATOM 0 H ILE A 24 6.102 -3.088 -6.861 1.00 31.53 H new ATOM 0 HA ILE A 24 3.428 -4.295 -6.444 1.00 1.00 H new ATOM 0 HB ILE A 24 4.934 -2.381 -4.672 1.00 54.31 H new ATOM 0 HG12 ILE A 24 5.093 -4.765 -3.360 1.00 20.30 H new ATOM 0 HG13 ILE A 24 5.271 -5.314 -5.015 1.00 20.30 H new ATOM 0 HG21 ILE A 24 3.354 -3.301 -2.967 1.00 43.45 H new ATOM 0 HG22 ILE A 24 2.484 -2.549 -4.326 1.00 43.45 H new ATOM 0 HG23 ILE A 24 2.613 -4.321 -4.223 1.00 43.45 H new ATOM 0 HD11 ILE A 24 7.475 -4.814 -4.016 1.00 25.12 H new ATOM 0 HD12 ILE A 24 7.137 -3.701 -5.364 1.00 25.12 H new ATOM 0 HD13 ILE A 24 6.957 -3.144 -3.683 1.00 25.12 H new ATOM 358 N LYS A 25 2.252 -2.347 -7.503 1.00 13.22 N ATOM 359 CA LYS A 25 1.395 -1.224 -7.858 1.00 20.22 C ATOM 360 C LYS A 25 0.786 -0.631 -6.606 1.00 13.45 C ATOM 361 O LYS A 25 0.363 -1.390 -5.734 1.00 34.51 O ATOM 362 CB LYS A 25 0.261 -1.728 -8.742 1.00 72.45 C ATOM 363 CG LYS A 25 -0.611 -0.636 -9.350 1.00 0.42 C ATOM 364 CD LYS A 25 -0.101 -0.217 -10.727 1.00 21.13 C ATOM 365 CE LYS A 25 -0.442 1.257 -10.806 1.00 63.50 C ATOM 366 NZ LYS A 25 0.048 1.867 -12.066 1.00 4.04 N ATOM 0 H LYS A 25 1.891 -3.254 -7.800 1.00 13.22 H new ATOM 0 HA LYS A 25 1.987 -0.471 -8.378 1.00 20.22 H new ATOM 0 HB2 LYS A 25 0.686 -2.325 -9.549 1.00 72.45 H new ATOM 0 HB3 LYS A 25 -0.372 -2.392 -8.153 1.00 72.45 H new ATOM 0 HG2 LYS A 25 -1.638 -0.993 -9.434 1.00 0.42 H new ATOM 0 HG3 LYS A 25 -0.627 0.230 -8.688 1.00 0.42 H new ATOM 0 HD2 LYS A 25 0.972 -0.385 -10.824 1.00 21.13 H new ATOM 0 HD3 LYS A 25 -0.586 -0.783 -11.522 1.00 21.13 H new ATOM 0 HE2 LYS A 25 -1.522 1.385 -10.736 1.00 63.50 H new ATOM 0 HE3 LYS A 25 -0.003 1.778 -9.955 1.00 63.50 H new ATOM 0 HZ1 LYS A 25 -0.113 2.894 -12.040 1.00 4.04 H new ATOM 0 HZ2 LYS A 25 1.065 1.679 -12.170 1.00 4.04 H new ATOM 0 HZ3 LYS A 25 -0.464 1.457 -12.873 1.00 4.04 H new ATOM 376 N VAL A 26 0.643 0.691 -6.578 1.00 74.10 N ATOM 377 CA VAL A 26 -0.074 1.393 -5.531 1.00 72.10 C ATOM 378 C VAL A 26 -0.940 2.481 -6.117 1.00 52.11 C ATOM 379 O VAL A 26 -0.388 3.329 -6.800 1.00 22.34 O ATOM 380 CB VAL A 26 0.915 1.986 -4.502 1.00 64.43 C ATOM 381 CG1 VAL A 26 0.184 2.501 -3.269 1.00 24.52 C ATOM 382 CG2 VAL A 26 2.034 1.006 -4.159 1.00 22.15 C ATOM 0 H VAL A 26 1.029 1.308 -7.293 1.00 74.10 H new ATOM 0 HA VAL A 26 -0.719 0.679 -5.019 1.00 72.10 H new ATOM 0 HB VAL A 26 1.399 2.847 -4.963 1.00 64.43 H new ATOM 0 HG11 VAL A 26 0.906 2.912 -2.563 1.00 24.52 H new ATOM 0 HG12 VAL A 26 -0.520 3.279 -3.562 1.00 24.52 H new ATOM 0 HG13 VAL A 26 -0.357 1.681 -2.798 1.00 24.52 H new ATOM 0 HG21 VAL A 26 2.707 1.462 -3.433 1.00 22.15 H new ATOM 0 HG22 VAL A 26 1.605 0.098 -3.736 1.00 22.15 H new ATOM 0 HG23 VAL A 26 2.590 0.758 -5.063 1.00 22.15 H new ATOM 392 N THR A 27 -2.240 2.471 -5.824 1.00 43.04 N ATOM 393 CA THR A 27 -3.254 3.372 -6.362 1.00 72.44 C ATOM 394 C THR A 27 -4.056 3.908 -5.172 1.00 55.14 C ATOM 395 O THR A 27 -4.473 3.114 -4.325 1.00 44.42 O ATOM 396 CB THR A 27 -4.166 2.549 -7.285 1.00 31.41 C ATOM 397 OG1 THR A 27 -3.450 1.604 -8.059 1.00 64.33 O ATOM 398 CG2 THR A 27 -5.085 3.403 -8.149 1.00 51.43 C ATOM 0 H THR A 27 -2.634 1.796 -5.168 1.00 43.04 H new ATOM 0 HA THR A 27 -2.819 4.199 -6.923 1.00 72.44 H new ATOM 0 HB THR A 27 -4.815 1.988 -6.613 1.00 31.41 H new ATOM 0 HG1 THR A 27 -3.376 0.763 -7.562 1.00 64.33 H new ATOM 0 HG21 THR A 27 -5.700 2.757 -8.775 1.00 51.43 H new ATOM 0 HG22 THR A 27 -5.728 4.007 -7.509 1.00 51.43 H new ATOM 0 HG23 THR A 27 -4.485 4.057 -8.782 1.00 51.43 H new ATOM 406 N TRP A 28 -4.246 5.218 -5.031 1.00 15.02 N ATOM 407 CA TRP A 28 -4.889 5.850 -3.859 1.00 44.03 C ATOM 408 C TRP A 28 -5.962 6.844 -4.295 1.00 20.33 C ATOM 409 O TRP A 28 -6.403 7.709 -3.538 1.00 44.33 O ATOM 410 CB TRP A 28 -3.818 6.549 -3.018 1.00 32.23 C ATOM 411 CG TRP A 28 -3.012 7.552 -3.761 1.00 63.13 C ATOM 412 CD1 TRP A 28 -3.256 8.874 -3.866 1.00 72.34 C ATOM 413 CD2 TRP A 28 -1.792 7.299 -4.494 1.00 35.24 C ATOM 414 NE1 TRP A 28 -2.273 9.453 -4.646 1.00 74.34 N ATOM 415 CE2 TRP A 28 -1.297 8.534 -4.993 1.00 0.32 C ATOM 416 CE3 TRP A 28 -1.045 6.132 -4.727 1.00 53.23 C ATOM 417 CZ2 TRP A 28 -0.060 8.607 -5.651 1.00 13.04 C ATOM 418 CZ3 TRP A 28 0.182 6.190 -5.397 1.00 32.24 C ATOM 419 CH2 TRP A 28 0.678 7.423 -5.841 1.00 40.14 C ATOM 0 H TRP A 28 -3.954 5.893 -5.738 1.00 15.02 H new ATOM 0 HA TRP A 28 -5.377 5.080 -3.261 1.00 44.03 H new ATOM 0 HB2 TRP A 28 -4.300 7.042 -2.174 1.00 32.23 H new ATOM 0 HB3 TRP A 28 -3.147 5.795 -2.606 1.00 32.23 H new ATOM 0 HD1 TRP A 28 -4.086 9.396 -3.413 1.00 72.34 H new ATOM 0 HE1 TRP A 28 -2.267 10.433 -4.930 1.00 74.34 H new ATOM 0 HE3 TRP A 28 -1.422 5.179 -4.385 1.00 53.23 H new ATOM 0 HZ2 TRP A 28 0.319 9.554 -6.005 1.00 13.04 H new ATOM 0 HZ3 TRP A 28 0.746 5.286 -5.572 1.00 32.24 H new ATOM 0 HH2 TRP A 28 1.638 7.466 -6.335 1.00 40.14 H new ATOM 429 N ASN A 29 -6.372 6.758 -5.550 1.00 11.12 N ATOM 430 CA ASN A 29 -7.383 7.620 -6.114 1.00 14.23 C ATOM 431 C ASN A 29 -7.958 6.956 -7.344 1.00 61.20 C ATOM 432 O ASN A 29 -7.590 5.823 -7.659 1.00 52.32 O ATOM 433 CB ASN A 29 -6.818 9.011 -6.421 1.00 35.31 C ATOM 434 CG ASN A 29 -7.860 10.015 -5.983 1.00 21.34 C ATOM 435 OD1 ASN A 29 -8.750 10.355 -6.751 1.00 22.35 O ATOM 436 ND2 ASN A 29 -7.862 10.370 -4.709 1.00 74.41 N ATOM 0 H ASN A 29 -6.002 6.075 -6.211 1.00 11.12 H new ATOM 0 HA ASN A 29 -8.183 7.770 -5.389 1.00 14.23 H new ATOM 0 HB2 ASN A 29 -5.880 9.172 -5.891 1.00 35.31 H new ATOM 0 HB3 ASN A 29 -6.605 9.115 -7.485 1.00 35.31 H new ATOM 0 HD21 ASN A 29 -8.621 10.944 -4.341 1.00 74.41 H new ATOM 0 HD22 ASN A 29 -7.105 10.070 -4.095 1.00 74.41 H new ATOM 442 N ASP A 30 -8.879 7.630 -8.015 1.00 0.42 N ATOM 443 CA ASP A 30 -9.501 7.128 -9.225 1.00 64.22 C ATOM 444 C ASP A 30 -8.496 7.370 -10.346 1.00 44.31 C ATOM 445 O ASP A 30 -8.536 8.403 -11.010 1.00 51.42 O ATOM 446 CB ASP A 30 -10.861 7.816 -9.442 1.00 21.23 C ATOM 447 CG ASP A 30 -11.802 7.549 -8.265 1.00 0.15 C ATOM 448 OD1 ASP A 30 -12.057 6.361 -7.955 1.00 21.13 O ATOM 449 OD2 ASP A 30 -12.175 8.542 -7.593 1.00 41.21 O ATOM 0 H ASP A 30 -9.217 8.549 -7.730 1.00 0.42 H new ATOM 0 HA ASP A 30 -9.730 6.063 -9.178 1.00 64.22 H new ATOM 0 HB2 ASP A 30 -10.715 8.890 -9.560 1.00 21.23 H new ATOM 0 HB3 ASP A 30 -11.314 7.453 -10.365 1.00 21.23 H new ATOM 453 N GLY A 31 -7.524 6.470 -10.497 1.00 31.45 N ATOM 454 CA GLY A 31 -6.558 6.450 -11.588 1.00 23.44 C ATOM 455 C GLY A 31 -5.145 6.890 -11.200 1.00 42.41 C ATOM 456 O GLY A 31 -4.224 6.651 -11.983 1.00 35.33 O ATOM 0 H GLY A 31 -7.385 5.706 -9.835 1.00 31.45 H new ATOM 0 HA2 GLY A 31 -6.510 5.440 -11.994 1.00 23.44 H new ATOM 0 HA3 GLY A 31 -6.919 7.098 -12.387 1.00 23.44 H new ATOM 460 N LYS A 32 -4.919 7.523 -10.041 1.00 14.14 N ATOM 461 CA LYS A 32 -3.595 7.993 -9.673 1.00 61.30 C ATOM 462 C LYS A 32 -2.864 6.885 -8.923 1.00 75.44 C ATOM 463 O LYS A 32 -3.360 6.376 -7.914 1.00 74.54 O ATOM 464 CB LYS A 32 -3.717 9.277 -8.841 1.00 22.13 C ATOM 465 CG LYS A 32 -2.360 9.716 -8.293 1.00 63.13 C ATOM 466 CD LYS A 32 -1.276 10.050 -9.341 1.00 75.13 C ATOM 467 CE LYS A 32 0.101 9.656 -8.796 1.00 33.34 C ATOM 468 NZ LYS A 32 1.158 9.700 -9.821 1.00 32.41 N ATOM 0 H LYS A 32 -5.642 7.717 -9.348 1.00 14.14 H new ATOM 0 HA LYS A 32 -3.013 8.236 -10.562 1.00 61.30 H new ATOM 0 HB2 LYS A 32 -4.138 10.073 -9.456 1.00 22.13 H new ATOM 0 HB3 LYS A 32 -4.409 9.113 -8.015 1.00 22.13 H new ATOM 0 HG2 LYS A 32 -2.512 10.594 -7.666 1.00 63.13 H new ATOM 0 HG3 LYS A 32 -1.979 8.925 -7.647 1.00 63.13 H new ATOM 0 HD2 LYS A 32 -1.477 9.517 -10.270 1.00 75.13 H new ATOM 0 HD3 LYS A 32 -1.296 11.115 -9.574 1.00 75.13 H new ATOM 0 HE2 LYS A 32 0.367 10.325 -7.978 1.00 33.34 H new ATOM 0 HE3 LYS A 32 0.047 8.650 -8.380 1.00 33.34 H new ATOM 0 HZ1 LYS A 32 1.416 8.731 -10.095 1.00 32.41 H new ATOM 0 HZ2 LYS A 32 0.811 10.215 -10.655 1.00 32.41 H new ATOM 0 HZ3 LYS A 32 1.994 10.186 -9.437 1.00 32.41 H new ATOM 478 N GLU A 33 -1.675 6.530 -9.411 1.00 35.35 N ATOM 479 CA GLU A 33 -0.887 5.414 -8.908 1.00 72.20 C ATOM 480 C GLU A 33 0.602 5.726 -9.041 1.00 73.53 C ATOM 481 O GLU A 33 1.000 6.653 -9.755 1.00 4.24 O ATOM 482 CB GLU A 33 -1.151 4.130 -9.721 1.00 74.24 C ATOM 483 CG GLU A 33 -2.467 3.952 -10.493 1.00 32.13 C ATOM 484 CD GLU A 33 -2.316 3.945 -12.017 1.00 74.21 C ATOM 485 OE1 GLU A 33 -1.229 4.316 -12.519 1.00 34.15 O ATOM 486 OE2 GLU A 33 -3.218 3.370 -12.677 1.00 62.40 O ATOM 0 H GLU A 33 -1.227 7.023 -10.183 1.00 35.35 H new ATOM 0 HA GLU A 33 -1.172 5.264 -7.867 1.00 72.20 H new ATOM 0 HB2 GLU A 33 -0.339 4.034 -10.442 1.00 74.24 H new ATOM 0 HB3 GLU A 33 -1.066 3.290 -9.032 1.00 74.24 H new ATOM 0 HG2 GLU A 33 -2.931 3.016 -10.183 1.00 32.13 H new ATOM 0 HG3 GLU A 33 -3.149 4.755 -10.212 1.00 32.13 H new ATOM 491 N GLN A 34 1.401 4.832 -8.467 1.00 31.45 N ATOM 492 CA GLN A 34 2.842 4.644 -8.672 1.00 35.45 C ATOM 493 C GLN A 34 3.184 3.154 -8.504 1.00 31.22 C ATOM 494 O GLN A 34 2.272 2.357 -8.247 1.00 23.34 O ATOM 495 CB GLN A 34 3.638 5.604 -7.767 1.00 42.12 C ATOM 496 CG GLN A 34 3.657 5.299 -6.259 1.00 12.31 C ATOM 497 CD GLN A 34 5.028 4.814 -5.815 1.00 44.03 C ATOM 498 OE1 GLN A 34 6.018 5.532 -5.888 1.00 25.34 O ATOM 499 NE2 GLN A 34 5.136 3.577 -5.376 1.00 40.32 N ATOM 0 H GLN A 34 1.032 4.164 -7.791 1.00 31.45 H new ATOM 0 HA GLN A 34 3.137 4.908 -9.687 1.00 35.45 H new ATOM 0 HB2 GLN A 34 4.669 5.624 -8.120 1.00 42.12 H new ATOM 0 HB3 GLN A 34 3.235 6.608 -7.903 1.00 42.12 H new ATOM 0 HG2 GLN A 34 3.386 6.195 -5.700 1.00 12.31 H new ATOM 0 HG3 GLN A 34 2.908 4.541 -6.029 1.00 12.31 H new ATOM 0 HE21 GLN A 34 4.309 2.983 -5.317 1.00 40.32 H new ATOM 0 HE22 GLN A 34 6.047 3.213 -5.095 1.00 40.32 H new ATOM 506 N THR A 35 4.450 2.739 -8.646 1.00 0.45 N ATOM 507 CA THR A 35 4.851 1.364 -8.335 1.00 43.22 C ATOM 508 C THR A 35 6.155 1.367 -7.512 1.00 60.33 C ATOM 509 O THR A 35 7.002 2.246 -7.696 1.00 63.25 O ATOM 510 CB THR A 35 4.967 0.495 -9.610 1.00 12.42 C ATOM 511 OG1 THR A 35 6.098 0.834 -10.385 1.00 75.51 O ATOM 512 CG2 THR A 35 3.765 0.572 -10.550 1.00 15.14 C ATOM 0 H THR A 35 5.210 3.335 -8.973 1.00 0.45 H new ATOM 0 HA THR A 35 4.069 0.907 -7.728 1.00 43.22 H new ATOM 0 HB THR A 35 5.039 -0.515 -9.207 1.00 12.42 H new ATOM 0 HG1 THR A 35 6.134 0.261 -11.179 1.00 75.51 H new ATOM 0 HG21 THR A 35 3.937 -0.069 -11.414 1.00 15.14 H new ATOM 0 HG22 THR A 35 2.870 0.239 -10.024 1.00 15.14 H new ATOM 0 HG23 THR A 35 3.629 1.601 -10.883 1.00 15.14 H new ATOM 520 N VAL A 36 6.354 0.389 -6.626 1.00 33.22 N ATOM 521 CA VAL A 36 7.552 0.276 -5.790 1.00 3.03 C ATOM 522 C VAL A 36 8.542 -0.654 -6.492 1.00 42.33 C ATOM 523 O VAL A 36 8.164 -1.765 -6.880 1.00 3.01 O ATOM 524 CB VAL A 36 7.168 -0.237 -4.385 1.00 24.33 C ATOM 525 CG1 VAL A 36 8.378 -0.569 -3.500 1.00 52.42 C ATOM 526 CG2 VAL A 36 6.274 0.769 -3.641 1.00 12.22 C ATOM 0 H VAL A 36 5.678 -0.358 -6.466 1.00 33.22 H new ATOM 0 HA VAL A 36 8.024 1.249 -5.655 1.00 3.03 H new ATOM 0 HB VAL A 36 6.621 -1.162 -4.566 1.00 24.33 H new ATOM 0 HG11 VAL A 36 8.032 -0.923 -2.529 1.00 52.42 H new ATOM 0 HG12 VAL A 36 8.976 -1.345 -3.977 1.00 52.42 H new ATOM 0 HG13 VAL A 36 8.986 0.325 -3.365 1.00 52.42 H new ATOM 0 HG21 VAL A 36 6.024 0.374 -2.656 1.00 12.22 H new ATOM 0 HG22 VAL A 36 6.805 1.714 -3.529 1.00 12.22 H new ATOM 0 HG23 VAL A 36 5.359 0.932 -4.210 1.00 12.22 H new ATOM 536 N ASN A 37 9.794 -0.194 -6.607 1.00 70.15 N ATOM 537 CA ASN A 37 10.924 -0.854 -7.256 1.00 4.32 C ATOM 538 C ASN A 37 11.119 -2.252 -6.681 1.00 33.10 C ATOM 539 O ASN A 37 10.803 -3.238 -7.343 1.00 14.14 O ATOM 540 CB ASN A 37 12.188 0.020 -7.124 1.00 64.42 C ATOM 541 CG ASN A 37 13.476 -0.742 -7.420 1.00 12.32 C ATOM 542 OD1 ASN A 37 13.591 -1.467 -8.403 1.00 52.33 O ATOM 543 ND2 ASN A 37 14.472 -0.611 -6.565 1.00 74.51 N ATOM 0 H ASN A 37 10.058 0.712 -6.221 1.00 70.15 H new ATOM 0 HA ASN A 37 10.720 -0.973 -8.320 1.00 4.32 H new ATOM 0 HB2 ASN A 37 12.109 0.867 -7.805 1.00 64.42 H new ATOM 0 HB3 ASN A 37 12.237 0.427 -6.114 1.00 64.42 H new ATOM 0 HD21 ASN A 37 15.346 -1.114 -6.719 1.00 74.51 H new ATOM 0 HD22 ASN A 37 14.368 -0.006 -5.750 1.00 74.51 H new ATOM 549 N THR A 38 11.640 -2.376 -5.464 1.00 5.42 N ATOM 550 CA THR A 38 11.747 -3.642 -4.754 1.00 25.20 C ATOM 551 C THR A 38 11.687 -3.340 -3.256 1.00 5.24 C ATOM 552 O THR A 38 12.177 -2.294 -2.826 1.00 4.43 O ATOM 553 CB THR A 38 13.014 -4.402 -5.221 1.00 54.12 C ATOM 554 OG1 THR A 38 12.963 -4.695 -6.616 1.00 62.24 O ATOM 555 CG2 THR A 38 13.170 -5.753 -4.530 1.00 33.14 C ATOM 0 H THR A 38 12.006 -1.584 -4.936 1.00 5.42 H new ATOM 0 HA THR A 38 10.921 -4.318 -4.977 1.00 25.20 H new ATOM 0 HB THR A 38 13.843 -3.739 -4.974 1.00 54.12 H new ATOM 0 HG1 THR A 38 12.130 -4.343 -6.994 1.00 62.24 H new ATOM 0 HG21 THR A 38 14.073 -6.245 -4.892 1.00 33.14 H new ATOM 0 HG22 THR A 38 13.245 -5.604 -3.453 1.00 33.14 H new ATOM 0 HG23 THR A 38 12.304 -6.377 -4.750 1.00 33.14 H new ATOM 563 N LEU A 39 11.052 -4.219 -2.478 1.00 73.22 N ATOM 564 CA LEU A 39 10.824 -4.091 -1.048 1.00 62.14 C ATOM 565 C LEU A 39 11.201 -5.436 -0.441 1.00 23.41 C ATOM 566 O LEU A 39 10.470 -6.420 -0.607 1.00 24.20 O ATOM 567 CB LEU A 39 9.350 -3.720 -0.766 1.00 13.12 C ATOM 568 CG LEU A 39 9.125 -2.949 0.533 1.00 4.22 C ATOM 569 CD1 LEU A 39 9.924 -1.643 0.509 1.00 74.33 C ATOM 570 CD2 LEU A 39 7.634 -2.603 0.664 1.00 23.13 C ATOM 0 H LEU A 39 10.664 -5.084 -2.855 1.00 73.22 H new ATOM 0 HA LEU A 39 11.423 -3.293 -0.609 1.00 62.14 H new ATOM 0 HB2 LEU A 39 8.974 -3.123 -1.597 1.00 13.12 H new ATOM 0 HB3 LEU A 39 8.758 -4.635 -0.737 1.00 13.12 H new ATOM 0 HG LEU A 39 9.449 -3.565 1.372 1.00 4.22 H new ATOM 0 HD11 LEU A 39 9.759 -1.098 1.439 1.00 74.33 H new ATOM 0 HD12 LEU A 39 10.985 -1.868 0.404 1.00 74.33 H new ATOM 0 HD13 LEU A 39 9.597 -1.032 -0.333 1.00 74.33 H new ATOM 0 HD21 LEU A 39 7.468 -2.052 1.590 1.00 23.13 H new ATOM 0 HD22 LEU A 39 7.327 -1.989 -0.183 1.00 23.13 H new ATOM 0 HD23 LEU A 39 7.047 -3.521 0.678 1.00 23.13 H new ATOM 581 N GLY A 40 12.372 -5.475 0.191 1.00 50.22 N ATOM 582 CA GLY A 40 12.944 -6.684 0.753 1.00 74.25 C ATOM 583 C GLY A 40 12.066 -7.293 1.840 1.00 61.43 C ATOM 584 O GLY A 40 11.074 -6.711 2.293 1.00 50.02 O ATOM 0 H GLY A 40 12.956 -4.650 0.326 1.00 50.22 H new ATOM 0 HA2 GLY A 40 13.093 -7.415 -0.042 1.00 74.25 H new ATOM 0 HA3 GLY A 40 13.927 -6.459 1.168 1.00 74.25 H new ATOM 588 N SER A 41 12.434 -8.493 2.272 1.00 32.41 N ATOM 589 CA SER A 41 11.813 -9.180 3.392 1.00 31.41 C ATOM 590 C SER A 41 11.930 -8.275 4.630 1.00 22.44 C ATOM 591 O SER A 41 13.046 -7.971 5.049 1.00 53.13 O ATOM 592 CB SER A 41 12.539 -10.524 3.557 1.00 71.22 C ATOM 593 OG SER A 41 11.714 -11.537 4.107 1.00 1.10 O ATOM 0 H SER A 41 13.190 -9.026 1.842 1.00 32.41 H new ATOM 0 HA SER A 41 10.753 -9.382 3.238 1.00 31.41 H new ATOM 0 HB2 SER A 41 12.909 -10.852 2.586 1.00 71.22 H new ATOM 0 HB3 SER A 41 13.409 -10.384 4.198 1.00 71.22 H new ATOM 0 HG SER A 41 12.226 -12.368 4.188 1.00 1.10 H new ATOM 598 N HIS A 42 10.794 -7.848 5.197 1.00 1.03 N ATOM 599 CA HIS A 42 10.695 -6.915 6.322 1.00 45.13 C ATOM 600 C HIS A 42 11.163 -5.483 6.014 1.00 10.31 C ATOM 601 O HIS A 42 11.402 -4.692 6.937 1.00 5.13 O ATOM 602 CB HIS A 42 11.199 -7.536 7.636 1.00 65.31 C ATOM 603 CG HIS A 42 10.063 -8.204 8.369 1.00 64.55 C ATOM 604 ND1 HIS A 42 9.406 -7.698 9.468 1.00 50.43 N ATOM 605 CD2 HIS A 42 9.384 -9.319 7.957 1.00 72.34 C ATOM 606 CE1 HIS A 42 8.353 -8.490 9.708 1.00 23.54 C ATOM 607 NE2 HIS A 42 8.300 -9.510 8.824 1.00 50.24 N ATOM 0 H HIS A 42 9.880 -8.158 4.868 1.00 1.03 H new ATOM 0 HA HIS A 42 9.632 -6.749 6.495 1.00 45.13 H new ATOM 0 HB2 HIS A 42 11.983 -8.264 7.425 1.00 65.31 H new ATOM 0 HB3 HIS A 42 11.642 -6.764 8.265 1.00 65.31 H new ATOM 0 HD2 HIS A 42 9.639 -9.942 7.112 1.00 72.34 H new ATOM 0 HE1 HIS A 42 7.640 -8.334 10.504 1.00 23.54 H new ATOM 0 HE2 HIS A 42 7.613 -10.263 8.794 1.00 50.24 H new ATOM 614 N ASP A 43 11.208 -5.090 4.737 1.00 5.30 N ATOM 615 CA ASP A 43 11.548 -3.724 4.328 1.00 71.15 C ATOM 616 C ASP A 43 10.322 -2.825 4.303 1.00 25.52 C ATOM 617 O ASP A 43 9.175 -3.287 4.395 1.00 54.31 O ATOM 618 CB ASP A 43 12.177 -3.762 2.935 1.00 4.12 C ATOM 619 CG ASP A 43 13.083 -2.608 2.535 1.00 33.13 C ATOM 620 OD1 ASP A 43 13.229 -1.638 3.305 1.00 70.34 O ATOM 621 OD2 ASP A 43 13.664 -2.712 1.432 1.00 50.43 O ATOM 0 H ASP A 43 11.009 -5.714 3.955 1.00 5.30 H new ATOM 0 HA ASP A 43 12.250 -3.315 5.054 1.00 71.15 H new ATOM 0 HB2 ASP A 43 12.753 -4.684 2.852 1.00 4.12 H new ATOM 0 HB3 ASP A 43 11.370 -3.823 2.205 1.00 4.12 H new ATOM 625 N SER A 44 10.572 -1.540 4.114 1.00 54.13 N ATOM 626 CA SER A 44 9.545 -0.525 3.947 1.00 73.32 C ATOM 627 C SER A 44 10.011 0.621 3.055 1.00 54.35 C ATOM 628 O SER A 44 11.207 0.889 2.923 1.00 30.10 O ATOM 629 CB SER A 44 9.062 -0.030 5.317 1.00 34.10 C ATOM 630 OG SER A 44 10.100 0.473 6.139 1.00 14.04 O ATOM 0 H SER A 44 11.519 -1.164 4.071 1.00 54.13 H new ATOM 0 HA SER A 44 8.698 -0.981 3.434 1.00 73.32 H new ATOM 0 HB2 SER A 44 8.317 0.752 5.169 1.00 34.10 H new ATOM 0 HB3 SER A 44 8.565 -0.850 5.835 1.00 34.10 H new ATOM 0 HG SER A 44 9.725 0.772 6.993 1.00 14.04 H new ATOM 635 N ILE A 45 9.054 1.350 2.485 1.00 12.10 N ATOM 636 CA ILE A 45 9.295 2.581 1.745 1.00 12.01 C ATOM 637 C ILE A 45 8.143 3.528 2.033 1.00 3.24 C ATOM 638 O ILE A 45 6.994 3.095 2.109 1.00 25.32 O ATOM 639 CB ILE A 45 9.462 2.305 0.233 1.00 41.03 C ATOM 640 CG1 ILE A 45 9.793 3.617 -0.511 1.00 23.53 C ATOM 641 CG2 ILE A 45 8.253 1.580 -0.386 1.00 50.33 C ATOM 642 CD1 ILE A 45 10.218 3.433 -1.969 1.00 34.53 C ATOM 0 H ILE A 45 8.068 1.093 2.527 1.00 12.10 H new ATOM 0 HA ILE A 45 10.230 3.040 2.066 1.00 12.01 H new ATOM 0 HB ILE A 45 10.300 1.617 0.117 1.00 41.03 H new ATOM 0 HG12 ILE A 45 8.919 4.267 -0.481 1.00 23.53 H new ATOM 0 HG13 ILE A 45 10.591 4.131 0.024 1.00 23.53 H new ATOM 0 HG21 ILE A 45 8.432 1.416 -1.449 1.00 50.33 H new ATOM 0 HG22 ILE A 45 8.111 0.620 0.111 1.00 50.33 H new ATOM 0 HG23 ILE A 45 7.359 2.190 -0.259 1.00 50.33 H new ATOM 0 HD11 ILE A 45 10.431 4.406 -2.412 1.00 34.53 H new ATOM 0 HD12 ILE A 45 11.113 2.812 -2.012 1.00 34.53 H new ATOM 0 HD13 ILE A 45 9.414 2.950 -2.524 1.00 34.53 H new ATOM 653 N ASP A 46 8.441 4.814 2.134 1.00 24.11 N ATOM 654 CA ASP A 46 7.482 5.899 2.267 1.00 30.24 C ATOM 655 C ASP A 46 7.600 6.787 1.031 1.00 63.53 C ATOM 656 O ASP A 46 8.700 7.077 0.569 1.00 31.34 O ATOM 657 CB ASP A 46 7.636 6.656 3.605 1.00 74.33 C ATOM 658 CG ASP A 46 9.066 6.792 4.167 1.00 32.51 C ATOM 659 OD1 ASP A 46 10.030 7.061 3.419 1.00 5.45 O ATOM 660 OD2 ASP A 46 9.253 6.561 5.386 1.00 54.00 O ATOM 0 H ASP A 46 9.406 5.145 2.125 1.00 24.11 H new ATOM 0 HA ASP A 46 6.467 5.504 2.310 1.00 30.24 H new ATOM 0 HB2 ASP A 46 7.224 7.657 3.478 1.00 74.33 H new ATOM 0 HB3 ASP A 46 7.024 6.152 4.353 1.00 74.33 H new ATOM 664 N PHE A 47 6.467 7.149 0.431 1.00 53.13 N ATOM 665 CA PHE A 47 6.422 7.987 -0.771 1.00 4.24 C ATOM 666 C PHE A 47 5.252 8.954 -0.682 1.00 44.10 C ATOM 667 O PHE A 47 4.268 8.679 0.012 1.00 62.20 O ATOM 668 CB PHE A 47 6.349 7.137 -2.051 1.00 32.55 C ATOM 669 CG PHE A 47 5.334 6.017 -2.067 1.00 25.45 C ATOM 670 CD1 PHE A 47 5.682 4.785 -1.486 1.00 53.33 C ATOM 671 CD2 PHE A 47 4.092 6.170 -2.712 1.00 63.13 C ATOM 672 CE1 PHE A 47 4.783 3.714 -1.513 1.00 61.33 C ATOM 673 CE2 PHE A 47 3.195 5.087 -2.765 1.00 14.42 C ATOM 674 CZ PHE A 47 3.542 3.879 -2.140 1.00 51.03 C ATOM 0 H PHE A 47 5.546 6.868 0.767 1.00 53.13 H new ATOM 0 HA PHE A 47 7.347 8.561 -0.826 1.00 4.24 H new ATOM 0 HB2 PHE A 47 6.136 7.801 -2.888 1.00 32.55 H new ATOM 0 HB3 PHE A 47 7.334 6.706 -2.229 1.00 32.55 H new ATOM 0 HD1 PHE A 47 6.647 4.665 -1.017 1.00 53.33 H new ATOM 0 HD2 PHE A 47 3.829 7.115 -3.164 1.00 63.13 H new ATOM 0 HE1 PHE A 47 5.043 2.771 -1.056 1.00 61.33 H new ATOM 0 HE2 PHE A 47 2.251 5.184 -3.280 1.00 14.42 H new ATOM 0 HZ PHE A 47 2.838 3.060 -2.143 1.00 51.03 H new ATOM 683 N SER A 48 5.349 10.091 -1.371 1.00 11.45 N ATOM 684 CA SER A 48 4.286 11.059 -1.415 1.00 61.31 C ATOM 685 C SER A 48 3.164 10.533 -2.316 1.00 51.02 C ATOM 686 O SER A 48 3.402 9.730 -3.227 1.00 44.02 O ATOM 687 CB SER A 48 4.892 12.397 -1.848 1.00 41.31 C ATOM 688 OG SER A 48 4.925 12.609 -3.238 1.00 74.10 O ATOM 0 H SER A 48 6.174 10.355 -1.911 1.00 11.45 H new ATOM 0 HA SER A 48 3.821 11.224 -0.443 1.00 61.31 H new ATOM 0 HB2 SER A 48 4.323 13.204 -1.385 1.00 41.31 H new ATOM 0 HB3 SER A 48 5.909 12.461 -1.461 1.00 41.31 H new ATOM 0 HG SER A 48 5.324 13.484 -3.426 1.00 74.10 H new ATOM 693 N SER A 49 1.938 10.982 -2.062 1.00 23.32 N ATOM 694 CA SER A 49 0.788 10.696 -2.906 1.00 14.35 C ATOM 695 C SER A 49 0.738 11.809 -3.978 1.00 33.14 C ATOM 696 O SER A 49 1.758 12.449 -4.253 1.00 33.43 O ATOM 697 CB SER A 49 -0.476 10.498 -2.029 1.00 55.44 C ATOM 698 OG SER A 49 -0.171 10.206 -0.671 1.00 32.24 O ATOM 0 H SER A 49 1.715 11.562 -1.253 1.00 23.32 H new ATOM 0 HA SER A 49 0.856 9.752 -3.447 1.00 14.35 H new ATOM 0 HB2 SER A 49 -1.086 11.400 -2.072 1.00 55.44 H new ATOM 0 HB3 SER A 49 -1.075 9.687 -2.443 1.00 55.44 H new ATOM 0 HG SER A 49 0.216 10.999 -0.245 1.00 32.24 H new ATOM 703 N ASP A 50 -0.416 12.061 -4.596 1.00 1.21 N ATOM 704 CA ASP A 50 -0.621 13.210 -5.487 1.00 14.22 C ATOM 705 C ASP A 50 -2.059 13.682 -5.320 1.00 54.14 C ATOM 706 O ASP A 50 -2.890 13.603 -6.235 1.00 34.41 O ATOM 707 CB ASP A 50 -0.334 12.840 -6.942 1.00 31.43 C ATOM 708 CG ASP A 50 -0.589 14.005 -7.908 1.00 23.14 C ATOM 709 OD1 ASP A 50 -0.428 15.183 -7.522 1.00 12.04 O ATOM 710 OD2 ASP A 50 -0.988 13.740 -9.066 1.00 23.55 O ATOM 0 H ASP A 50 -1.242 11.471 -4.494 1.00 1.21 H new ATOM 0 HA ASP A 50 0.070 14.010 -5.223 1.00 14.22 H new ATOM 0 HB2 ASP A 50 0.703 12.517 -7.033 1.00 31.43 H new ATOM 0 HB3 ASP A 50 -0.958 11.993 -7.228 1.00 31.43 H new ATOM 714 N ALA A 51 -2.411 14.026 -4.086 1.00 2.14 N ATOM 715 CA ALA A 51 -3.753 14.433 -3.726 1.00 42.40 C ATOM 716 C ALA A 51 -3.741 14.908 -2.285 1.00 40.33 C ATOM 717 O ALA A 51 -3.168 14.248 -1.422 1.00 0.22 O ATOM 718 CB ALA A 51 -4.703 13.245 -3.870 1.00 53.04 C ATOM 0 H ALA A 51 -1.759 14.028 -3.301 1.00 2.14 H new ATOM 0 HA ALA A 51 -4.091 15.237 -4.380 1.00 42.40 H new ATOM 0 HB1 ALA A 51 -5.713 13.552 -3.599 1.00 53.04 H new ATOM 0 HB2 ALA A 51 -4.695 12.896 -4.902 1.00 53.04 H new ATOM 0 HB3 ALA A 51 -4.380 12.439 -3.212 1.00 53.04 H new ATOM 724 N GLY A 52 -4.453 15.996 -1.999 1.00 41.44 N ATOM 725 CA GLY A 52 -4.537 16.531 -0.647 1.00 32.21 C ATOM 726 C GLY A 52 -5.058 15.536 0.388 1.00 54.30 C ATOM 727 O GLY A 52 -4.753 15.664 1.576 1.00 31.11 O ATOM 0 H GLY A 52 -4.982 16.525 -2.692 1.00 41.44 H new ATOM 0 HA2 GLY A 52 -3.548 16.872 -0.341 1.00 32.21 H new ATOM 0 HA3 GLY A 52 -5.188 17.405 -0.654 1.00 32.21 H new ATOM 731 N SER A 53 -5.854 14.566 -0.066 1.00 32.33 N ATOM 732 CA SER A 53 -6.546 13.609 0.768 1.00 63.33 C ATOM 733 C SER A 53 -6.969 12.393 -0.066 1.00 62.30 C ATOM 734 O SER A 53 -6.893 12.428 -1.300 1.00 34.11 O ATOM 735 CB SER A 53 -7.725 14.331 1.433 1.00 61.50 C ATOM 736 OG SER A 53 -8.421 15.231 0.570 1.00 11.35 O ATOM 0 H SER A 53 -6.034 14.429 -1.061 1.00 32.33 H new ATOM 0 HA SER A 53 -5.899 13.220 1.554 1.00 63.33 H new ATOM 0 HB2 SER A 53 -8.428 13.587 1.807 1.00 61.50 H new ATOM 0 HB3 SER A 53 -7.357 14.885 2.297 1.00 61.50 H new ATOM 0 HG SER A 53 -9.158 15.651 1.061 1.00 11.35 H new ATOM 741 N VAL A 54 -7.347 11.303 0.596 1.00 14.24 N ATOM 742 CA VAL A 54 -7.716 10.024 0.025 1.00 3.42 C ATOM 743 C VAL A 54 -8.696 9.280 0.932 1.00 24.34 C ATOM 744 O VAL A 54 -8.604 9.336 2.156 1.00 12.34 O ATOM 745 CB VAL A 54 -6.430 9.239 -0.325 1.00 51.13 C ATOM 746 CG1 VAL A 54 -5.298 9.265 0.714 1.00 61.21 C ATOM 747 CG2 VAL A 54 -6.743 7.752 -0.561 1.00 12.11 C ATOM 0 H VAL A 54 -7.405 11.296 1.614 1.00 14.24 H new ATOM 0 HA VAL A 54 -8.262 10.160 -0.909 1.00 3.42 H new ATOM 0 HB VAL A 54 -6.076 9.764 -1.213 1.00 51.13 H new ATOM 0 HG11 VAL A 54 -4.455 8.678 0.349 1.00 61.21 H new ATOM 0 HG12 VAL A 54 -4.979 10.294 0.879 1.00 61.21 H new ATOM 0 HG13 VAL A 54 -5.656 8.841 1.652 1.00 61.21 H new ATOM 0 HG21 VAL A 54 -5.823 7.221 -0.806 1.00 12.11 H new ATOM 0 HG22 VAL A 54 -7.180 7.324 0.341 1.00 12.11 H new ATOM 0 HG23 VAL A 54 -7.448 7.655 -1.386 1.00 12.11 H new ATOM 757 N TYR A 55 -9.589 8.517 0.293 1.00 21.53 N ATOM 758 CA TYR A 55 -10.583 7.649 0.916 1.00 75.11 C ATOM 759 C TYR A 55 -10.597 6.228 0.315 1.00 44.41 C ATOM 760 O TYR A 55 -11.488 5.443 0.634 1.00 44.30 O ATOM 761 CB TYR A 55 -11.959 8.331 0.885 1.00 31.31 C ATOM 762 CG TYR A 55 -12.272 9.181 -0.346 1.00 44.02 C ATOM 763 CD1 TYR A 55 -12.157 8.652 -1.647 1.00 75.41 C ATOM 764 CD2 TYR A 55 -12.686 10.514 -0.181 1.00 21.42 C ATOM 765 CE1 TYR A 55 -12.437 9.456 -2.773 1.00 60.44 C ATOM 766 CE2 TYR A 55 -13.008 11.314 -1.292 1.00 1.45 C ATOM 767 CZ TYR A 55 -12.883 10.793 -2.600 1.00 54.33 C ATOM 768 OH TYR A 55 -13.191 11.584 -3.672 1.00 13.12 O ATOM 0 H TYR A 55 -9.637 8.490 -0.726 1.00 21.53 H new ATOM 0 HA TYR A 55 -10.304 7.502 1.959 1.00 75.11 H new ATOM 0 HB2 TYR A 55 -12.724 7.559 0.970 1.00 31.31 H new ATOM 0 HB3 TYR A 55 -12.046 8.964 1.768 1.00 31.31 H new ATOM 0 HD1 TYR A 55 -11.853 7.625 -1.784 1.00 75.41 H new ATOM 0 HD2 TYR A 55 -12.758 10.930 0.813 1.00 21.42 H new ATOM 0 HE1 TYR A 55 -12.312 9.054 -3.767 1.00 60.44 H new ATOM 0 HE2 TYR A 55 -13.351 12.328 -1.146 1.00 1.45 H new ATOM 0 HH TYR A 55 -13.479 12.466 -3.356 1.00 13.12 H new ATOM 777 N LYS A 56 -9.650 5.860 -0.563 1.00 11.35 N ATOM 778 CA LYS A 56 -9.605 4.552 -1.232 1.00 1.21 C ATOM 779 C LYS A 56 -8.163 4.081 -1.421 1.00 41.42 C ATOM 780 O LYS A 56 -7.264 4.919 -1.450 1.00 74.10 O ATOM 781 CB LYS A 56 -10.333 4.628 -2.587 1.00 20.21 C ATOM 782 CG LYS A 56 -9.755 5.672 -3.566 1.00 20.32 C ATOM 783 CD LYS A 56 -10.546 5.810 -4.876 1.00 23.31 C ATOM 784 CE LYS A 56 -10.099 4.838 -5.987 1.00 73.21 C ATOM 785 NZ LYS A 56 -10.533 3.439 -5.791 1.00 22.55 N ATOM 0 H LYS A 56 -8.881 6.474 -0.832 1.00 11.35 H new ATOM 0 HA LYS A 56 -10.113 3.824 -0.599 1.00 1.21 H new ATOM 0 HB2 LYS A 56 -10.298 3.646 -3.060 1.00 20.21 H new ATOM 0 HB3 LYS A 56 -11.383 4.858 -2.409 1.00 20.21 H new ATOM 0 HG2 LYS A 56 -9.724 6.642 -3.069 1.00 20.32 H new ATOM 0 HG3 LYS A 56 -8.726 5.402 -3.802 1.00 20.32 H new ATOM 0 HD2 LYS A 56 -11.603 5.646 -4.668 1.00 23.31 H new ATOM 0 HD3 LYS A 56 -10.448 6.832 -5.241 1.00 23.31 H new ATOM 0 HE2 LYS A 56 -10.487 5.195 -6.941 1.00 73.21 H new ATOM 0 HE3 LYS A 56 -9.011 4.861 -6.056 1.00 73.21 H new ATOM 0 HZ1 LYS A 56 -11.027 3.106 -6.644 1.00 22.55 H new ATOM 0 HZ2 LYS A 56 -9.702 2.839 -5.616 1.00 22.55 H new ATOM 0 HZ3 LYS A 56 -11.176 3.386 -4.976 1.00 22.55 H new ATOM 795 N MET A 57 -7.920 2.780 -1.601 1.00 33.55 N ATOM 796 CA MET A 57 -6.574 2.272 -1.859 1.00 75.43 C ATOM 797 C MET A 57 -6.664 0.943 -2.605 1.00 3.04 C ATOM 798 O MET A 57 -7.292 0.000 -2.127 1.00 74.24 O ATOM 799 CB MET A 57 -5.839 2.137 -0.514 1.00 3.14 C ATOM 800 CG MET A 57 -4.502 1.391 -0.574 1.00 62.54 C ATOM 801 SD MET A 57 -3.478 1.673 0.895 1.00 23.35 S ATOM 802 CE MET A 57 -2.587 3.181 0.412 1.00 35.45 C ATOM 0 H MET A 57 -8.641 2.059 -1.572 1.00 33.55 H new ATOM 0 HA MET A 57 -6.010 2.958 -2.491 1.00 75.43 H new ATOM 0 HB2 MET A 57 -5.662 3.135 -0.113 1.00 3.14 H new ATOM 0 HB3 MET A 57 -6.493 1.622 0.189 1.00 3.14 H new ATOM 0 HG2 MET A 57 -4.691 0.323 -0.681 1.00 62.54 H new ATOM 0 HG3 MET A 57 -3.953 1.708 -1.461 1.00 62.54 H new ATOM 0 HE1 MET A 57 -1.915 3.480 1.217 1.00 35.45 H new ATOM 0 HE2 MET A 57 -2.008 2.988 -0.491 1.00 35.45 H new ATOM 0 HE3 MET A 57 -3.302 3.981 0.221 1.00 35.45 H new ATOM 810 N ASP A 58 -6.001 0.829 -3.750 1.00 34.23 N ATOM 811 CA ASP A 58 -6.085 -0.308 -4.656 1.00 0.32 C ATOM 812 C ASP A 58 -4.659 -0.762 -4.946 1.00 14.44 C ATOM 813 O ASP A 58 -3.925 -0.141 -5.720 1.00 20.33 O ATOM 814 CB ASP A 58 -6.872 0.025 -5.933 1.00 71.30 C ATOM 815 CG ASP A 58 -8.321 0.408 -5.662 1.00 43.31 C ATOM 816 OD1 ASP A 58 -8.586 1.566 -5.270 1.00 73.12 O ATOM 817 OD2 ASP A 58 -9.197 -0.442 -5.945 1.00 0.04 O ATOM 0 H ASP A 58 -5.366 1.554 -4.084 1.00 34.23 H new ATOM 0 HA ASP A 58 -6.644 -1.121 -4.192 1.00 0.32 H new ATOM 0 HB2 ASP A 58 -6.377 0.845 -6.453 1.00 71.30 H new ATOM 0 HB3 ASP A 58 -6.849 -0.836 -6.601 1.00 71.30 H new ATOM 821 N VAL A 59 -4.227 -1.809 -4.252 1.00 63.30 N ATOM 822 CA VAL A 59 -2.917 -2.426 -4.423 1.00 43.22 C ATOM 823 C VAL A 59 -3.090 -3.622 -5.360 1.00 22.53 C ATOM 824 O VAL A 59 -4.142 -4.267 -5.328 1.00 11.15 O ATOM 825 CB VAL A 59 -2.375 -2.893 -3.057 1.00 23.51 C ATOM 826 CG1 VAL A 59 -0.908 -3.316 -3.206 1.00 42.10 C ATOM 827 CG2 VAL A 59 -2.485 -1.813 -1.966 1.00 53.10 C ATOM 0 H VAL A 59 -4.793 -2.264 -3.536 1.00 63.30 H new ATOM 0 HA VAL A 59 -2.207 -1.714 -4.843 1.00 43.22 H new ATOM 0 HB VAL A 59 -2.991 -3.735 -2.740 1.00 23.51 H new ATOM 0 HG11 VAL A 59 -0.525 -3.646 -2.241 1.00 42.10 H new ATOM 0 HG12 VAL A 59 -0.836 -4.133 -3.924 1.00 42.10 H new ATOM 0 HG13 VAL A 59 -0.319 -2.470 -3.560 1.00 42.10 H new ATOM 0 HG21 VAL A 59 -2.088 -2.201 -1.028 1.00 53.10 H new ATOM 0 HG22 VAL A 59 -1.914 -0.934 -2.265 1.00 53.10 H new ATOM 0 HG23 VAL A 59 -3.531 -1.538 -1.831 1.00 53.10 H new ATOM 837 N THR A 60 -2.060 -3.941 -6.146 1.00 11.04 N ATOM 838 CA THR A 60 -2.031 -5.101 -7.026 1.00 33.34 C ATOM 839 C THR A 60 -0.563 -5.401 -7.362 1.00 43.34 C ATOM 840 O THR A 60 0.058 -4.702 -8.167 1.00 60.31 O ATOM 841 CB THR A 60 -2.994 -4.891 -8.222 1.00 13.02 C ATOM 842 OG1 THR A 60 -2.828 -5.844 -9.252 1.00 61.11 O ATOM 843 CG2 THR A 60 -2.931 -3.505 -8.840 1.00 22.31 C ATOM 0 H THR A 60 -1.206 -3.385 -6.186 1.00 11.04 H new ATOM 0 HA THR A 60 -2.417 -6.004 -6.553 1.00 33.34 H new ATOM 0 HB THR A 60 -3.975 -5.020 -7.764 1.00 13.02 H new ATOM 0 HG1 THR A 60 -3.463 -5.659 -9.975 1.00 61.11 H new ATOM 0 HG21 THR A 60 -3.636 -3.444 -9.669 1.00 22.31 H new ATOM 0 HG22 THR A 60 -3.190 -2.759 -8.088 1.00 22.31 H new ATOM 0 HG23 THR A 60 -1.922 -3.316 -9.207 1.00 22.31 H new ATOM 851 N GLY A 61 0.049 -6.372 -6.682 1.00 52.14 N ATOM 852 CA GLY A 61 1.479 -6.674 -6.807 1.00 32.10 C ATOM 853 C GLY A 61 1.736 -8.176 -6.847 1.00 40.42 C ATOM 854 O GLY A 61 0.784 -8.950 -6.801 1.00 22.10 O ATOM 0 H GLY A 61 -0.438 -6.978 -6.022 1.00 52.14 H new ATOM 0 HA2 GLY A 61 1.870 -6.213 -7.714 1.00 32.10 H new ATOM 0 HA3 GLY A 61 2.019 -6.235 -5.968 1.00 32.10 H new ATOM 858 N THR A 62 3.011 -8.585 -6.938 1.00 34.30 N ATOM 859 CA THR A 62 3.411 -9.991 -7.041 1.00 51.14 C ATOM 860 C THR A 62 4.567 -10.318 -6.075 1.00 0.40 C ATOM 861 O THR A 62 5.476 -9.497 -5.912 1.00 55.24 O ATOM 862 CB THR A 62 3.822 -10.343 -8.488 1.00 35.52 C ATOM 863 OG1 THR A 62 3.209 -9.537 -9.493 1.00 60.52 O ATOM 864 CG2 THR A 62 3.513 -11.817 -8.756 1.00 21.33 C ATOM 0 H THR A 62 3.800 -7.939 -6.942 1.00 34.30 H new ATOM 0 HA THR A 62 2.547 -10.595 -6.762 1.00 51.14 H new ATOM 0 HB THR A 62 4.891 -10.140 -8.556 1.00 35.52 H new ATOM 0 HG1 THR A 62 3.522 -9.822 -10.377 1.00 60.52 H new ATOM 0 HG21 THR A 62 3.802 -12.070 -9.776 1.00 21.33 H new ATOM 0 HG22 THR A 62 4.072 -12.439 -8.056 1.00 21.33 H new ATOM 0 HG23 THR A 62 2.445 -11.994 -8.626 1.00 21.33 H new ATOM 872 N THR A 63 4.567 -11.487 -5.437 1.00 44.24 N ATOM 873 CA THR A 63 5.663 -11.951 -4.594 1.00 33.41 C ATOM 874 C THR A 63 6.852 -12.400 -5.415 1.00 22.41 C ATOM 875 O THR A 63 6.768 -12.564 -6.637 1.00 62.42 O ATOM 876 CB THR A 63 5.201 -13.059 -3.642 1.00 2.44 C ATOM 877 OG1 THR A 63 5.058 -14.280 -4.334 1.00 12.23 O ATOM 878 CG2 THR A 63 3.908 -12.702 -2.917 1.00 62.11 C ATOM 0 H THR A 63 3.792 -12.148 -5.493 1.00 44.24 H new ATOM 0 HA THR A 63 5.986 -11.103 -3.991 1.00 33.41 H new ATOM 0 HB THR A 63 5.975 -13.169 -2.882 1.00 2.44 H new ATOM 0 HG1 THR A 63 4.764 -14.977 -3.711 1.00 12.23 H new ATOM 0 HG21 THR A 63 3.624 -13.520 -2.255 1.00 62.11 H new ATOM 0 HG22 THR A 63 4.058 -11.796 -2.330 1.00 62.11 H new ATOM 0 HG23 THR A 63 3.116 -12.534 -3.647 1.00 62.11 H new ATOM 886 N GLN A 64 7.959 -12.652 -4.715 1.00 63.53 N ATOM 887 CA GLN A 64 9.105 -13.400 -5.186 1.00 20.10 C ATOM 888 C GLN A 64 8.631 -14.655 -5.918 1.00 51.45 C ATOM 889 O GLN A 64 8.984 -14.839 -7.076 1.00 55.34 O ATOM 890 CB GLN A 64 10.038 -13.678 -4.013 1.00 11.31 C ATOM 891 CG GLN A 64 11.316 -14.442 -4.413 1.00 10.34 C ATOM 892 CD GLN A 64 11.585 -15.601 -3.469 1.00 21.54 C ATOM 893 OE1 GLN A 64 12.630 -15.692 -2.829 1.00 70.42 O ATOM 894 NE2 GLN A 64 10.630 -16.499 -3.332 1.00 1.01 N ATOM 0 H GLN A 64 8.077 -12.320 -3.758 1.00 63.53 H new ATOM 0 HA GLN A 64 9.682 -12.827 -5.912 1.00 20.10 H new ATOM 0 HB2 GLN A 64 10.319 -12.732 -3.550 1.00 11.31 H new ATOM 0 HB3 GLN A 64 9.500 -14.254 -3.260 1.00 11.31 H new ATOM 0 HG2 GLN A 64 11.215 -14.816 -5.432 1.00 10.34 H new ATOM 0 HG3 GLN A 64 12.167 -13.760 -4.407 1.00 10.34 H new ATOM 0 HE21 GLN A 64 9.767 -16.412 -3.869 1.00 1.01 H new ATOM 0 HE22 GLN A 64 10.754 -17.281 -2.689 1.00 1.01 H new ATOM 901 N SER A 65 7.811 -15.486 -5.277 1.00 72.11 N ATOM 902 CA SER A 65 7.412 -16.772 -5.846 1.00 22.32 C ATOM 903 C SER A 65 6.368 -16.650 -6.968 1.00 75.15 C ATOM 904 O SER A 65 6.116 -17.633 -7.669 1.00 22.22 O ATOM 905 CB SER A 65 6.922 -17.676 -4.717 1.00 3.00 C ATOM 906 OG SER A 65 7.902 -17.713 -3.691 1.00 2.04 O ATOM 0 H SER A 65 7.409 -15.291 -4.360 1.00 72.11 H new ATOM 0 HA SER A 65 8.286 -17.213 -6.325 1.00 22.32 H new ATOM 0 HB2 SER A 65 5.977 -17.304 -4.321 1.00 3.00 H new ATOM 0 HB3 SER A 65 6.735 -18.681 -5.095 1.00 3.00 H new ATOM 0 HG SER A 65 7.592 -18.291 -2.963 1.00 2.04 H new ATOM 911 N GLY A 66 5.803 -15.457 -7.191 1.00 44.22 N ATOM 912 CA GLY A 66 4.875 -15.188 -8.284 1.00 2.04 C ATOM 913 C GLY A 66 3.448 -14.953 -7.814 1.00 34.44 C ATOM 914 O GLY A 66 2.563 -14.782 -8.648 1.00 11.30 O ATOM 0 H GLY A 66 5.984 -14.642 -6.605 1.00 44.22 H new ATOM 0 HA2 GLY A 66 5.218 -14.313 -8.836 1.00 2.04 H new ATOM 0 HA3 GLY A 66 4.888 -16.028 -8.978 1.00 2.04 H new ATOM 918 N GLU A 67 3.210 -14.906 -6.504 1.00 20.51 N ATOM 919 CA GLU A 67 1.864 -14.832 -5.973 1.00 32.13 C ATOM 920 C GLU A 67 1.362 -13.407 -6.104 1.00 35.51 C ATOM 921 O GLU A 67 1.941 -12.453 -5.592 1.00 2.23 O ATOM 922 CB GLU A 67 1.796 -15.387 -4.541 1.00 42.44 C ATOM 923 CG GLU A 67 2.080 -16.887 -4.596 1.00 35.23 C ATOM 924 CD GLU A 67 2.096 -17.567 -3.224 1.00 22.30 C ATOM 925 OE1 GLU A 67 3.133 -17.466 -2.531 1.00 12.43 O ATOM 926 OE2 GLU A 67 1.110 -18.255 -2.878 1.00 72.44 O ATOM 0 H GLU A 67 3.941 -14.918 -5.793 1.00 20.51 H new ATOM 0 HA GLU A 67 1.195 -15.469 -6.551 1.00 32.13 H new ATOM 0 HB2 GLU A 67 2.525 -14.885 -3.904 1.00 42.44 H new ATOM 0 HB3 GLU A 67 0.813 -15.202 -4.108 1.00 42.44 H new ATOM 0 HG2 GLU A 67 1.326 -17.367 -5.219 1.00 35.23 H new ATOM 0 HG3 GLU A 67 3.043 -17.047 -5.081 1.00 35.23 H new ATOM 931 N LYS A 68 0.323 -13.243 -6.901 1.00 53.15 N ATOM 932 CA LYS A 68 -0.312 -11.975 -7.181 1.00 54.03 C ATOM 933 C LYS A 68 -1.331 -11.720 -6.088 1.00 21.14 C ATOM 934 O LYS A 68 -2.210 -12.549 -5.856 1.00 43.04 O ATOM 935 CB LYS A 68 -0.939 -12.003 -8.577 1.00 44.03 C ATOM 936 CG LYS A 68 -1.568 -10.656 -8.937 1.00 60.33 C ATOM 937 CD LYS A 68 -1.691 -10.468 -10.456 1.00 51.11 C ATOM 938 CE LYS A 68 -2.758 -9.443 -10.850 1.00 75.53 C ATOM 939 NZ LYS A 68 -4.103 -10.051 -10.933 1.00 40.22 N ATOM 0 H LYS A 68 -0.117 -14.023 -7.389 1.00 53.15 H new ATOM 0 HA LYS A 68 0.410 -11.158 -7.184 1.00 54.03 H new ATOM 0 HB2 LYS A 68 -0.177 -12.258 -9.314 1.00 44.03 H new ATOM 0 HB3 LYS A 68 -1.699 -12.783 -8.620 1.00 44.03 H new ATOM 0 HG2 LYS A 68 -2.555 -10.583 -8.481 1.00 60.33 H new ATOM 0 HG3 LYS A 68 -0.964 -9.850 -8.519 1.00 60.33 H new ATOM 0 HD2 LYS A 68 -0.727 -10.153 -10.856 1.00 51.11 H new ATOM 0 HD3 LYS A 68 -1.929 -11.427 -10.917 1.00 51.11 H new ATOM 0 HE2 LYS A 68 -2.770 -8.633 -10.121 1.00 75.53 H new ATOM 0 HE3 LYS A 68 -2.499 -9.001 -11.812 1.00 75.53 H new ATOM 0 HZ1 LYS A 68 -4.796 -9.324 -11.202 1.00 40.22 H new ATOM 0 HZ2 LYS A 68 -4.099 -10.807 -11.647 1.00 40.22 H new ATOM 0 HZ3 LYS A 68 -4.361 -10.450 -10.008 1.00 40.22 H new ATOM 949 N PHE A 69 -1.245 -10.557 -5.470 1.00 64.41 N ATOM 950 CA PHE A 69 -2.060 -10.128 -4.350 1.00 3.41 C ATOM 951 C PHE A 69 -2.765 -8.830 -4.742 1.00 2.33 C ATOM 952 O PHE A 69 -2.210 -8.053 -5.530 1.00 24.24 O ATOM 953 CB PHE A 69 -1.147 -9.937 -3.131 1.00 32.42 C ATOM 954 CG PHE A 69 0.076 -9.056 -3.358 1.00 62.44 C ATOM 955 CD1 PHE A 69 -0.011 -7.658 -3.220 1.00 24.33 C ATOM 956 CD2 PHE A 69 1.323 -9.638 -3.653 1.00 24.50 C ATOM 957 CE1 PHE A 69 1.147 -6.862 -3.315 1.00 73.42 C ATOM 958 CE2 PHE A 69 2.475 -8.836 -3.762 1.00 63.41 C ATOM 959 CZ PHE A 69 2.393 -7.449 -3.571 1.00 32.24 C ATOM 0 H PHE A 69 -0.568 -9.848 -5.752 1.00 64.41 H new ATOM 0 HA PHE A 69 -2.819 -10.868 -4.094 1.00 3.41 H new ATOM 0 HB2 PHE A 69 -1.737 -9.508 -2.321 1.00 32.42 H new ATOM 0 HB3 PHE A 69 -0.809 -10.917 -2.795 1.00 32.42 H new ATOM 0 HD1 PHE A 69 -0.970 -7.194 -3.041 1.00 24.33 H new ATOM 0 HD2 PHE A 69 1.397 -10.706 -3.797 1.00 24.50 H new ATOM 0 HE1 PHE A 69 1.074 -5.792 -3.190 1.00 73.42 H new ATOM 0 HE2 PHE A 69 3.427 -9.291 -3.994 1.00 63.41 H new ATOM 0 HZ PHE A 69 3.283 -6.839 -3.621 1.00 32.24 H new ATOM 968 N THR A 70 -3.948 -8.557 -4.192 1.00 34.41 N ATOM 969 CA THR A 70 -4.648 -7.289 -4.378 1.00 12.13 C ATOM 970 C THR A 70 -5.351 -6.826 -3.104 1.00 63.30 C ATOM 971 O THR A 70 -5.733 -7.639 -2.262 1.00 62.44 O ATOM 972 CB THR A 70 -5.684 -7.371 -5.509 1.00 54.33 C ATOM 973 OG1 THR A 70 -6.626 -8.406 -5.305 1.00 44.44 O ATOM 974 CG2 THR A 70 -5.077 -7.592 -6.885 1.00 3.23 C ATOM 0 H THR A 70 -4.451 -9.217 -3.599 1.00 34.41 H new ATOM 0 HA THR A 70 -3.879 -6.563 -4.642 1.00 12.13 H new ATOM 0 HB THR A 70 -6.167 -6.394 -5.480 1.00 54.33 H new ATOM 0 HG1 THR A 70 -7.265 -8.418 -6.048 1.00 44.44 H new ATOM 0 HG21 THR A 70 -5.871 -7.639 -7.630 1.00 3.23 H new ATOM 0 HG22 THR A 70 -4.405 -6.768 -7.123 1.00 3.23 H new ATOM 0 HG23 THR A 70 -4.519 -8.528 -6.890 1.00 3.23 H new ATOM 982 N GLY A 71 -5.544 -5.508 -3.002 1.00 42.31 N ATOM 983 CA GLY A 71 -6.218 -4.868 -1.877 1.00 12.05 C ATOM 984 C GLY A 71 -7.675 -4.536 -2.187 1.00 24.44 C ATOM 985 O GLY A 71 -8.584 -5.307 -1.887 1.00 43.41 O ATOM 0 H GLY A 71 -5.230 -4.848 -3.713 1.00 42.31 H new ATOM 0 HA2 GLY A 71 -6.174 -5.525 -1.009 1.00 12.05 H new ATOM 0 HA3 GLY A 71 -5.688 -3.953 -1.611 1.00 12.05 H new ATOM 989 N HIS A 72 -7.877 -3.385 -2.827 1.00 72.54 N ATOM 990 CA HIS A 72 -9.170 -2.819 -3.198 1.00 51.40 C ATOM 991 C HIS A 72 -9.998 -2.429 -1.959 1.00 64.51 C ATOM 992 O HIS A 72 -10.968 -3.100 -1.591 1.00 35.51 O ATOM 993 CB HIS A 72 -9.903 -3.724 -4.204 1.00 2.15 C ATOM 994 CG HIS A 72 -9.081 -4.080 -5.404 1.00 24.53 C ATOM 995 ND1 HIS A 72 -8.544 -3.187 -6.293 1.00 11.35 N ATOM 996 CD2 HIS A 72 -8.730 -5.338 -5.796 1.00 75.20 C ATOM 997 CE1 HIS A 72 -7.851 -3.893 -7.197 1.00 43.32 C ATOM 998 NE2 HIS A 72 -7.975 -5.212 -6.965 1.00 20.32 N ATOM 0 H HIS A 72 -7.099 -2.791 -3.116 1.00 72.54 H new ATOM 0 HA HIS A 72 -9.004 -1.879 -3.724 1.00 51.40 H new ATOM 0 HB2 HIS A 72 -10.209 -4.640 -3.699 1.00 2.15 H new ATOM 0 HB3 HIS A 72 -10.813 -3.223 -4.534 1.00 2.15 H new ATOM 0 HD1 HIS A 72 -8.652 -2.173 -6.271 1.00 11.35 H new ATOM 0 HD2 HIS A 72 -8.988 -6.260 -5.296 1.00 75.20 H new ATOM 0 HE1 HIS A 72 -7.273 -3.462 -8.001 1.00 43.32 H new ATOM 1005 N PHE A 73 -9.631 -1.310 -1.331 1.00 24.32 N ATOM 1006 CA PHE A 73 -10.206 -0.761 -0.104 1.00 42.23 C ATOM 1007 C PHE A 73 -10.903 0.569 -0.373 1.00 44.10 C ATOM 1008 O PHE A 73 -10.604 1.267 -1.350 1.00 31.12 O ATOM 1009 CB PHE A 73 -9.106 -0.512 0.931 1.00 55.33 C ATOM 1010 CG PHE A 73 -8.251 -1.719 1.237 1.00 41.13 C ATOM 1011 CD1 PHE A 73 -8.774 -2.795 1.975 1.00 43.14 C ATOM 1012 CD2 PHE A 73 -6.930 -1.769 0.760 1.00 75.22 C ATOM 1013 CE1 PHE A 73 -7.971 -3.914 2.248 1.00 52.10 C ATOM 1014 CE2 PHE A 73 -6.121 -2.871 1.066 1.00 21.22 C ATOM 1015 CZ PHE A 73 -6.640 -3.944 1.808 1.00 21.21 C ATOM 0 H PHE A 73 -8.875 -0.727 -1.690 1.00 24.32 H new ATOM 0 HA PHE A 73 -10.928 -1.487 0.270 1.00 42.23 H new ATOM 0 HB2 PHE A 73 -8.463 0.292 0.573 1.00 55.33 H new ATOM 0 HB3 PHE A 73 -9.566 -0.164 1.856 1.00 55.33 H new ATOM 0 HD1 PHE A 73 -9.793 -2.761 2.332 1.00 43.14 H new ATOM 0 HD2 PHE A 73 -6.540 -0.961 0.160 1.00 75.22 H new ATOM 0 HE1 PHE A 73 -8.378 -4.751 2.796 1.00 52.10 H new ATOM 0 HE2 PHE A 73 -5.095 -2.895 0.730 1.00 21.22 H new ATOM 0 HZ PHE A 73 -6.014 -4.793 2.040 1.00 21.21 H new ATOM 1024 N LYS A 74 -11.786 0.955 0.546 1.00 42.21 N ATOM 1025 CA LYS A 74 -12.708 2.084 0.461 1.00 20.55 C ATOM 1026 C LYS A 74 -12.868 2.687 1.862 1.00 42.42 C ATOM 1027 O LYS A 74 -12.413 2.099 2.843 1.00 0.24 O ATOM 1028 CB LYS A 74 -14.055 1.547 -0.075 1.00 71.33 C ATOM 1029 CG LYS A 74 -14.061 1.519 -1.608 1.00 54.10 C ATOM 1030 CD LYS A 74 -14.907 0.395 -2.225 1.00 52.23 C ATOM 1031 CE LYS A 74 -14.549 0.181 -3.701 1.00 74.12 C ATOM 1032 NZ LYS A 74 -14.765 1.380 -4.526 1.00 41.04 N ATOM 0 H LYS A 74 -11.882 0.453 1.429 1.00 42.21 H new ATOM 0 HA LYS A 74 -12.340 2.862 -0.208 1.00 20.55 H new ATOM 0 HB2 LYS A 74 -14.231 0.543 0.312 1.00 71.33 H new ATOM 0 HB3 LYS A 74 -14.870 2.175 0.285 1.00 71.33 H new ATOM 0 HG2 LYS A 74 -14.431 2.477 -1.974 1.00 54.10 H new ATOM 0 HG3 LYS A 74 -13.034 1.418 -1.960 1.00 54.10 H new ATOM 0 HD2 LYS A 74 -14.748 -0.530 -1.671 1.00 52.23 H new ATOM 0 HD3 LYS A 74 -15.965 0.641 -2.136 1.00 52.23 H new ATOM 0 HE2 LYS A 74 -13.504 -0.121 -3.775 1.00 74.12 H new ATOM 0 HE3 LYS A 74 -15.147 -0.639 -4.099 1.00 74.12 H new ATOM 0 HZ1 LYS A 74 -14.604 1.147 -5.527 1.00 41.04 H new ATOM 0 HZ2 LYS A 74 -15.741 1.716 -4.402 1.00 41.04 H new ATOM 0 HZ3 LYS A 74 -14.103 2.126 -4.234 1.00 41.04 H new ATOM 1042 N GLY A 75 -13.524 3.844 1.945 1.00 33.12 N ATOM 1043 CA GLY A 75 -14.006 4.435 3.187 1.00 35.52 C ATOM 1044 C GLY A 75 -12.899 4.840 4.154 1.00 31.51 C ATOM 1045 O GLY A 75 -13.097 4.767 5.373 1.00 62.32 O ATOM 0 H GLY A 75 -13.740 4.410 1.124 1.00 33.12 H new ATOM 0 HA2 GLY A 75 -14.606 5.314 2.950 1.00 35.52 H new ATOM 0 HA3 GLY A 75 -14.665 3.723 3.684 1.00 35.52 H new ATOM 1049 N LEU A 76 -11.734 5.216 3.625 1.00 22.31 N ATOM 1050 CA LEU A 76 -10.558 5.501 4.441 1.00 0.43 C ATOM 1051 C LEU A 76 -10.661 6.915 5.033 1.00 31.53 C ATOM 1052 O LEU A 76 -11.452 7.740 4.558 1.00 14.44 O ATOM 1053 CB LEU A 76 -9.279 5.323 3.603 1.00 42.14 C ATOM 1054 CG LEU A 76 -9.145 3.964 2.878 1.00 55.42 C ATOM 1055 CD1 LEU A 76 -7.831 3.926 2.095 1.00 20.22 C ATOM 1056 CD2 LEU A 76 -9.187 2.754 3.807 1.00 61.44 C ATOM 0 H LEU A 76 -11.581 5.331 2.623 1.00 22.31 H new ATOM 0 HA LEU A 76 -10.509 4.796 5.271 1.00 0.43 H new ATOM 0 HB2 LEU A 76 -9.239 6.118 2.859 1.00 42.14 H new ATOM 0 HB3 LEU A 76 -8.416 5.454 4.256 1.00 42.14 H new ATOM 0 HG LEU A 76 -10.011 3.893 2.220 1.00 55.42 H new ATOM 0 HD11 LEU A 76 -7.739 2.967 1.585 1.00 20.22 H new ATOM 0 HD12 LEU A 76 -7.822 4.730 1.360 1.00 20.22 H new ATOM 0 HD13 LEU A 76 -6.994 4.053 2.782 1.00 20.22 H new ATOM 0 HD21 LEU A 76 -9.087 1.841 3.220 1.00 61.44 H new ATOM 0 HD22 LEU A 76 -8.368 2.817 4.523 1.00 61.44 H new ATOM 0 HD23 LEU A 76 -10.136 2.739 4.342 1.00 61.44 H new ATOM 1067 N VAL A 77 -9.859 7.199 6.062 1.00 42.22 N ATOM 1068 CA VAL A 77 -9.799 8.463 6.804 1.00 75.21 C ATOM 1069 C VAL A 77 -8.361 8.749 7.262 1.00 24.54 C ATOM 1070 O VAL A 77 -7.496 7.868 7.202 1.00 10.24 O ATOM 1071 CB VAL A 77 -10.771 8.447 8.018 1.00 24.31 C ATOM 1072 CG1 VAL A 77 -12.205 8.710 7.561 1.00 24.23 C ATOM 1073 CG2 VAL A 77 -10.745 7.155 8.859 1.00 32.15 C ATOM 0 H VAL A 77 -9.195 6.513 6.421 1.00 42.22 H new ATOM 0 HA VAL A 77 -10.115 9.264 6.135 1.00 75.21 H new ATOM 0 HB VAL A 77 -10.410 9.244 8.668 1.00 24.31 H new ATOM 0 HG11 VAL A 77 -12.870 8.695 8.424 1.00 24.23 H new ATOM 0 HG12 VAL A 77 -12.260 9.685 7.078 1.00 24.23 H new ATOM 0 HG13 VAL A 77 -12.509 7.937 6.855 1.00 24.23 H new ATOM 0 HG21 VAL A 77 -11.456 7.241 9.681 1.00 32.15 H new ATOM 0 HG22 VAL A 77 -11.017 6.307 8.231 1.00 32.15 H new ATOM 0 HG23 VAL A 77 -9.743 7.002 9.261 1.00 32.15 H new ATOM 1083 N GLY A 78 -8.125 9.958 7.774 1.00 21.24 N ATOM 1084 CA GLY A 78 -6.844 10.407 8.301 1.00 30.11 C ATOM 1085 C GLY A 78 -6.012 11.078 7.212 1.00 45.40 C ATOM 1086 O GLY A 78 -6.388 11.086 6.036 1.00 14.42 O ATOM 0 H GLY A 78 -8.849 10.674 7.833 1.00 21.24 H new ATOM 0 HA2 GLY A 78 -7.009 11.106 9.121 1.00 30.11 H new ATOM 0 HA3 GLY A 78 -6.297 9.558 8.711 1.00 30.11 H new ATOM 1090 N LYS A 79 -4.897 11.713 7.580 1.00 13.03 N ATOM 1091 CA LYS A 79 -4.035 12.479 6.678 1.00 63.53 C ATOM 1092 C LYS A 79 -2.802 11.664 6.286 1.00 43.31 C ATOM 1093 O LYS A 79 -1.721 12.212 6.041 1.00 33.14 O ATOM 1094 CB LYS A 79 -3.745 13.833 7.347 1.00 65.43 C ATOM 1095 CG LYS A 79 -3.399 14.930 6.337 1.00 12.42 C ATOM 1096 CD LYS A 79 -3.400 16.319 7.005 1.00 33.21 C ATOM 1097 CE LYS A 79 -2.119 17.078 6.667 1.00 70.30 C ATOM 1098 NZ LYS A 79 -2.121 18.441 7.242 1.00 70.33 N ATOM 0 H LYS A 79 -4.559 11.708 8.542 1.00 13.03 H new ATOM 0 HA LYS A 79 -4.522 12.690 5.726 1.00 63.53 H new ATOM 0 HB2 LYS A 79 -4.615 14.141 7.927 1.00 65.43 H new ATOM 0 HB3 LYS A 79 -2.919 13.717 8.049 1.00 65.43 H new ATOM 0 HG2 LYS A 79 -2.419 14.733 5.902 1.00 12.42 H new ATOM 0 HG3 LYS A 79 -4.119 14.916 5.519 1.00 12.42 H new ATOM 0 HD2 LYS A 79 -4.266 16.889 6.670 1.00 33.21 H new ATOM 0 HD3 LYS A 79 -3.490 16.209 8.086 1.00 33.21 H new ATOM 0 HE2 LYS A 79 -1.259 16.525 7.044 1.00 70.30 H new ATOM 0 HE3 LYS A 79 -2.008 17.140 5.584 1.00 70.30 H new ATOM 0 HZ1 LYS A 79 -1.235 18.925 6.991 1.00 70.33 H new ATOM 0 HZ2 LYS A 79 -2.928 18.977 6.863 1.00 70.33 H new ATOM 0 HZ3 LYS A 79 -2.201 18.381 8.277 1.00 70.33 H new ATOM 1108 N ASP A 80 -2.936 10.343 6.255 1.00 74.10 N ATOM 1109 CA ASP A 80 -1.958 9.369 5.797 1.00 41.24 C ATOM 1110 C ASP A 80 -2.679 8.033 5.614 1.00 33.44 C ATOM 1111 O ASP A 80 -3.827 7.871 6.034 1.00 2.15 O ATOM 1112 CB ASP A 80 -0.781 9.210 6.772 1.00 4.13 C ATOM 1113 CG ASP A 80 -1.223 9.021 8.227 1.00 42.14 C ATOM 1114 OD1 ASP A 80 -1.601 7.892 8.611 1.00 64.31 O ATOM 1115 OD2 ASP A 80 -1.181 10.011 8.989 1.00 11.05 O ATOM 0 H ASP A 80 -3.795 9.894 6.573 1.00 74.10 H new ATOM 0 HA ASP A 80 -1.530 9.717 4.857 1.00 41.24 H new ATOM 0 HB2 ASP A 80 -0.179 8.354 6.468 1.00 4.13 H new ATOM 0 HB3 ASP A 80 -0.141 10.090 6.705 1.00 4.13 H new ATOM 1119 N THR A 81 -1.994 7.085 4.980 1.00 11.13 N ATOM 1120 CA THR A 81 -2.422 5.737 4.660 1.00 64.53 C ATOM 1121 C THR A 81 -1.136 4.914 4.570 1.00 2.03 C ATOM 1122 O THR A 81 -0.028 5.466 4.503 1.00 2.15 O ATOM 1123 CB THR A 81 -3.174 5.703 3.311 1.00 1.45 C ATOM 1124 OG1 THR A 81 -3.878 6.889 2.993 1.00 34.31 O ATOM 1125 CG2 THR A 81 -4.206 4.583 3.269 1.00 60.12 C ATOM 0 H THR A 81 -1.045 7.261 4.651 1.00 11.13 H new ATOM 0 HA THR A 81 -3.108 5.347 5.412 1.00 64.53 H new ATOM 0 HB THR A 81 -2.372 5.558 2.587 1.00 1.45 H new ATOM 0 HG1 THR A 81 -4.322 6.783 2.126 1.00 34.31 H new ATOM 0 HG21 THR A 81 -4.714 4.592 2.304 1.00 60.12 H new ATOM 0 HG22 THR A 81 -3.708 3.624 3.408 1.00 60.12 H new ATOM 0 HG23 THR A 81 -4.936 4.731 4.065 1.00 60.12 H new ATOM 1133 N ARG A 82 -1.254 3.592 4.549 1.00 50.00 N ATOM 1134 CA ARG A 82 -0.146 2.670 4.336 1.00 53.34 C ATOM 1135 C ARG A 82 -0.726 1.293 4.072 1.00 32.32 C ATOM 1136 O ARG A 82 -1.933 1.138 4.188 1.00 1.12 O ATOM 1137 CB ARG A 82 0.818 2.655 5.537 1.00 25.45 C ATOM 1138 CG ARG A 82 0.117 2.810 6.881 1.00 4.15 C ATOM 1139 CD ARG A 82 1.100 2.649 8.034 1.00 44.03 C ATOM 1140 NE ARG A 82 1.931 3.853 8.190 1.00 11.04 N ATOM 1141 CZ ARG A 82 2.374 4.367 9.339 1.00 53.12 C ATOM 1142 NH1 ARG A 82 2.049 3.783 10.488 1.00 45.03 N ATOM 1143 NH2 ARG A 82 3.145 5.445 9.326 1.00 10.14 N ATOM 0 H ARG A 82 -2.148 3.119 4.683 1.00 50.00 H new ATOM 0 HA ARG A 82 0.443 2.994 3.478 1.00 53.34 H new ATOM 0 HB2 ARG A 82 1.376 1.719 5.533 1.00 25.45 H new ATOM 0 HB3 ARG A 82 1.544 3.459 5.420 1.00 25.45 H new ATOM 0 HG2 ARG A 82 -0.356 3.790 6.937 1.00 4.15 H new ATOM 0 HG3 ARG A 82 -0.676 2.067 6.969 1.00 4.15 H new ATOM 0 HD2 ARG A 82 0.554 2.457 8.958 1.00 44.03 H new ATOM 0 HD3 ARG A 82 1.738 1.783 7.855 1.00 44.03 H new ATOM 0 HE ARG A 82 2.195 4.343 7.335 1.00 11.04 H new ATOM 0 HH11 ARG A 82 1.464 2.947 10.488 1.00 45.03 H new ATOM 0 HH12 ARG A 82 2.384 4.171 11.370 1.00 45.03 H new ATOM 0 HH21 ARG A 82 3.399 5.880 8.439 1.00 10.14 H new ATOM 0 HH22 ARG A 82 3.485 5.840 10.203 1.00 10.14 H new ATOM 1154 N VAL A 83 0.112 0.315 3.748 1.00 14.15 N ATOM 1155 CA VAL A 83 -0.282 -1.037 3.371 1.00 74.52 C ATOM 1156 C VAL A 83 0.442 -1.994 4.305 1.00 73.41 C ATOM 1157 O VAL A 83 1.675 -1.964 4.356 1.00 31.25 O ATOM 1158 CB VAL A 83 0.091 -1.296 1.901 1.00 13.11 C ATOM 1159 CG1 VAL A 83 -0.229 -2.730 1.466 1.00 74.32 C ATOM 1160 CG2 VAL A 83 -0.620 -0.335 0.943 1.00 72.51 C ATOM 0 H VAL A 83 1.123 0.447 3.740 1.00 14.15 H new ATOM 0 HA VAL A 83 -1.359 -1.178 3.461 1.00 74.52 H new ATOM 0 HB VAL A 83 1.167 -1.131 1.847 1.00 13.11 H new ATOM 0 HG11 VAL A 83 0.052 -2.865 0.421 1.00 74.32 H new ATOM 0 HG12 VAL A 83 0.330 -3.431 2.085 1.00 74.32 H new ATOM 0 HG13 VAL A 83 -1.297 -2.916 1.581 1.00 74.32 H new ATOM 0 HG21 VAL A 83 -0.324 -0.558 -0.082 1.00 72.51 H new ATOM 0 HG22 VAL A 83 -1.699 -0.453 1.043 1.00 72.51 H new ATOM 0 HG23 VAL A 83 -0.344 0.691 1.185 1.00 72.51 H new ATOM 1170 N PHE A 84 -0.306 -2.829 5.028 1.00 24.44 N ATOM 1171 CA PHE A 84 0.269 -3.959 5.751 1.00 14.05 C ATOM 1172 C PHE A 84 0.239 -5.168 4.818 1.00 41.22 C ATOM 1173 O PHE A 84 -0.819 -5.600 4.347 1.00 50.03 O ATOM 1174 CB PHE A 84 -0.441 -4.155 7.108 1.00 31.55 C ATOM 1175 CG PHE A 84 -0.265 -3.017 8.121 1.00 70.51 C ATOM 1176 CD1 PHE A 84 0.779 -2.087 7.976 1.00 12.33 C ATOM 1177 CD2 PHE A 84 -1.122 -2.885 9.234 1.00 42.40 C ATOM 1178 CE1 PHE A 84 0.915 -0.987 8.843 1.00 4.11 C ATOM 1179 CE2 PHE A 84 -0.933 -1.847 10.163 1.00 33.53 C ATOM 1180 CZ PHE A 84 0.061 -0.874 9.953 1.00 41.11 C ATOM 0 H PHE A 84 -1.317 -2.741 5.127 1.00 24.44 H new ATOM 0 HA PHE A 84 1.311 -3.787 6.022 1.00 14.05 H new ATOM 0 HB2 PHE A 84 -1.507 -4.291 6.923 1.00 31.55 H new ATOM 0 HB3 PHE A 84 -0.075 -5.078 7.559 1.00 31.55 H new ATOM 0 HD1 PHE A 84 1.495 -2.220 7.179 1.00 12.33 H new ATOM 0 HD2 PHE A 84 -1.930 -3.588 9.373 1.00 42.40 H new ATOM 0 HE1 PHE A 84 1.669 -0.236 8.657 1.00 4.11 H new ATOM 0 HE2 PHE A 84 -1.555 -1.796 11.044 1.00 33.53 H new ATOM 0 HZ PHE A 84 0.167 -0.047 10.639 1.00 41.11 H new ATOM 1189 N ILE A 85 1.428 -5.656 4.460 1.00 62.55 N ATOM 1190 CA ILE A 85 1.606 -6.903 3.735 1.00 63.35 C ATOM 1191 C ILE A 85 1.877 -7.960 4.771 1.00 62.12 C ATOM 1192 O ILE A 85 2.821 -7.807 5.528 1.00 14.42 O ATOM 1193 CB ILE A 85 2.725 -6.851 2.674 1.00 13.34 C ATOM 1194 CG1 ILE A 85 2.740 -5.553 1.839 1.00 2.12 C ATOM 1195 CG2 ILE A 85 2.518 -8.042 1.733 1.00 4.34 C ATOM 1196 CD1 ILE A 85 3.771 -5.533 0.698 1.00 70.23 C ATOM 0 H ILE A 85 2.306 -5.183 4.672 1.00 62.55 H new ATOM 0 HA ILE A 85 0.706 -7.121 3.160 1.00 63.35 H new ATOM 0 HB ILE A 85 3.680 -6.884 3.199 1.00 13.34 H new ATOM 0 HG12 ILE A 85 1.747 -5.398 1.416 1.00 2.12 H new ATOM 0 HG13 ILE A 85 2.938 -4.712 2.504 1.00 2.12 H new ATOM 0 HG21 ILE A 85 3.293 -8.039 0.966 1.00 4.34 H new ATOM 0 HG22 ILE A 85 2.574 -8.970 2.302 1.00 4.34 H new ATOM 0 HG23 ILE A 85 1.539 -7.966 1.260 1.00 4.34 H new ATOM 0 HD11 ILE A 85 3.708 -4.583 0.167 1.00 70.23 H new ATOM 0 HD12 ILE A 85 4.773 -5.653 1.111 1.00 70.23 H new ATOM 0 HD13 ILE A 85 3.564 -6.349 0.006 1.00 70.23 H new ATOM 1207 N GLU A 86 1.051 -8.993 4.784 1.00 74.32 N ATOM 1208 CA GLU A 86 1.148 -10.152 5.653 1.00 41.22 C ATOM 1209 C GLU A 86 0.603 -11.363 4.892 1.00 41.31 C ATOM 1210 O GLU A 86 0.247 -11.250 3.713 1.00 44.13 O ATOM 1211 CB GLU A 86 0.383 -9.903 6.963 1.00 54.05 C ATOM 1212 CG GLU A 86 -1.123 -9.620 6.777 1.00 23.23 C ATOM 1213 CD GLU A 86 -1.927 -9.818 8.069 1.00 50.04 C ATOM 1214 OE1 GLU A 86 -1.340 -9.867 9.174 1.00 31.41 O ATOM 1215 OE2 GLU A 86 -3.176 -9.872 8.004 1.00 50.33 O ATOM 0 H GLU A 86 0.251 -9.047 4.153 1.00 74.32 H new ATOM 0 HA GLU A 86 2.185 -10.343 5.928 1.00 41.22 H new ATOM 0 HB2 GLU A 86 0.500 -10.773 7.609 1.00 54.05 H new ATOM 0 HB3 GLU A 86 0.838 -9.058 7.481 1.00 54.05 H new ATOM 0 HG2 GLU A 86 -1.255 -8.597 6.425 1.00 23.23 H new ATOM 0 HG3 GLU A 86 -1.519 -10.277 6.003 1.00 23.23 H new ATOM 1220 N LEU A 87 0.531 -12.504 5.576 1.00 50.31 N ATOM 1221 CA LEU A 87 -0.099 -13.727 5.102 1.00 13.01 C ATOM 1222 C LEU A 87 -1.312 -14.010 5.995 1.00 63.12 C ATOM 1223 O LEU A 87 -1.396 -13.492 7.109 1.00 63.41 O ATOM 1224 CB LEU A 87 0.885 -14.909 5.167 1.00 43.33 C ATOM 1225 CG LEU A 87 2.332 -14.622 4.718 1.00 10.04 C ATOM 1226 CD1 LEU A 87 3.256 -15.783 5.090 1.00 53.03 C ATOM 1227 CD2 LEU A 87 2.423 -14.369 3.214 1.00 34.12 C ATOM 0 H LEU A 87 0.926 -12.601 6.511 1.00 50.31 H new ATOM 0 HA LEU A 87 -0.406 -13.605 4.063 1.00 13.01 H new ATOM 0 HB2 LEU A 87 0.912 -15.275 6.193 1.00 43.33 H new ATOM 0 HB3 LEU A 87 0.490 -15.717 4.551 1.00 43.33 H new ATOM 0 HG LEU A 87 2.650 -13.719 5.239 1.00 10.04 H new ATOM 0 HD11 LEU A 87 4.272 -15.559 4.764 1.00 53.03 H new ATOM 0 HD12 LEU A 87 3.245 -15.925 6.171 1.00 53.03 H new ATOM 0 HD13 LEU A 87 2.911 -16.694 4.601 1.00 53.03 H new ATOM 0 HD21 LEU A 87 3.459 -14.171 2.940 1.00 34.12 H new ATOM 0 HD22 LEU A 87 2.067 -15.247 2.675 1.00 34.12 H new ATOM 0 HD23 LEU A 87 1.808 -13.508 2.952 1.00 34.12 H new ATOM 1238 N ASP A 88 -2.223 -14.862 5.533 1.00 32.24 N ATOM 1239 CA ASP A 88 -3.304 -15.461 6.319 1.00 13.13 C ATOM 1240 C ASP A 88 -3.644 -16.812 5.681 1.00 12.33 C ATOM 1241 O ASP A 88 -2.995 -17.217 4.715 1.00 20.14 O ATOM 1242 CB ASP A 88 -4.539 -14.535 6.367 1.00 14.12 C ATOM 1243 CG ASP A 88 -5.585 -14.984 7.392 1.00 40.44 C ATOM 1244 OD1 ASP A 88 -5.198 -15.339 8.529 1.00 1.34 O ATOM 1245 OD2 ASP A 88 -6.793 -15.028 7.074 1.00 60.32 O ATOM 0 H ASP A 88 -2.231 -15.168 4.560 1.00 32.24 H new ATOM 0 HA ASP A 88 -2.986 -15.603 7.352 1.00 13.13 H new ATOM 0 HB2 ASP A 88 -4.217 -13.521 6.605 1.00 14.12 H new ATOM 0 HB3 ASP A 88 -4.998 -14.500 5.379 1.00 14.12 H new ATOM 1249 N GLU A 89 -4.673 -17.493 6.185 1.00 35.24 N ATOM 1250 CA GLU A 89 -5.317 -18.677 5.643 1.00 64.14 C ATOM 1251 C GLU A 89 -4.331 -19.851 5.698 1.00 61.55 C ATOM 1252 O GLU A 89 -4.317 -20.604 6.676 1.00 15.32 O ATOM 1253 CB GLU A 89 -5.906 -18.422 4.230 1.00 15.20 C ATOM 1254 CG GLU A 89 -6.751 -17.155 4.022 1.00 32.43 C ATOM 1255 CD GLU A 89 -8.204 -17.247 4.501 1.00 1.02 C ATOM 1256 OE1 GLU A 89 -8.538 -17.999 5.447 1.00 54.04 O ATOM 1257 OE2 GLU A 89 -9.043 -16.548 3.880 1.00 3.23 O ATOM 0 H GLU A 89 -5.111 -17.200 7.059 1.00 35.24 H new ATOM 0 HA GLU A 89 -6.180 -18.938 6.256 1.00 64.14 H new ATOM 0 HB2 GLU A 89 -5.077 -18.391 3.523 1.00 15.20 H new ATOM 0 HB3 GLU A 89 -6.521 -19.282 3.964 1.00 15.20 H new ATOM 0 HG2 GLU A 89 -6.267 -16.327 4.540 1.00 32.43 H new ATOM 0 HG3 GLU A 89 -6.751 -16.909 2.960 1.00 32.43 H new ATOM 1262 N ASN A 90 -3.486 -19.965 4.678 1.00 22.21 N ATOM 1263 CA ASN A 90 -2.631 -21.103 4.357 1.00 75.41 C ATOM 1264 C ASN A 90 -1.276 -20.598 3.842 1.00 75.25 C ATOM 1265 O ASN A 90 -0.688 -21.195 2.931 1.00 34.11 O ATOM 1266 CB ASN A 90 -3.298 -22.031 3.318 1.00 24.24 C ATOM 1267 CG ASN A 90 -4.809 -22.132 3.402 1.00 11.40 C ATOM 1268 OD1 ASN A 90 -5.365 -22.847 4.228 1.00 22.42 O ATOM 1269 ND2 ASN A 90 -5.494 -21.392 2.552 1.00 64.44 N ATOM 0 H ASN A 90 -3.373 -19.208 4.004 1.00 22.21 H new ATOM 0 HA ASN A 90 -2.476 -21.688 5.264 1.00 75.41 H new ATOM 0 HB2 ASN A 90 -3.030 -21.682 2.321 1.00 24.24 H new ATOM 0 HB3 ASN A 90 -2.878 -23.031 3.429 1.00 24.24 H new ATOM 0 HD21 ASN A 90 -6.514 -21.405 2.571 1.00 64.44 H new ATOM 0 HD22 ASN A 90 -5.004 -20.807 1.876 1.00 64.44 H new ATOM 1275 N ALA A 91 -0.792 -19.486 4.399 1.00 22.52 N ATOM 1276 CA ALA A 91 0.286 -18.640 3.902 1.00 73.33 C ATOM 1277 C ALA A 91 -0.101 -18.016 2.552 1.00 41.04 C ATOM 1278 O ALA A 91 0.747 -17.842 1.678 1.00 51.24 O ATOM 1279 CB ALA A 91 1.638 -19.377 3.913 1.00 2.21 C ATOM 0 H ALA A 91 -1.175 -19.130 5.275 1.00 22.52 H new ATOM 0 HA ALA A 91 0.432 -17.802 4.583 1.00 73.33 H new ATOM 0 HB1 ALA A 91 2.417 -18.714 3.536 1.00 2.21 H new ATOM 0 HB2 ALA A 91 1.880 -19.678 4.932 1.00 2.21 H new ATOM 0 HB3 ALA A 91 1.576 -20.261 3.279 1.00 2.21 H new ATOM 1285 N ASP A 92 -1.392 -17.744 2.354 1.00 42.43 N ATOM 1286 CA ASP A 92 -1.915 -17.019 1.200 1.00 53.24 C ATOM 1287 C ASP A 92 -1.656 -15.541 1.446 1.00 33.30 C ATOM 1288 O ASP A 92 -1.706 -15.078 2.590 1.00 14.34 O ATOM 1289 CB ASP A 92 -3.432 -17.182 1.079 1.00 52.05 C ATOM 1290 CG ASP A 92 -3.891 -18.473 0.406 1.00 4.11 C ATOM 1291 OD1 ASP A 92 -4.033 -19.512 1.082 1.00 75.44 O ATOM 1292 OD2 ASP A 92 -4.205 -18.419 -0.811 1.00 51.23 O ATOM 0 H ASP A 92 -2.119 -18.030 3.010 1.00 42.43 H new ATOM 0 HA ASP A 92 -1.437 -17.400 0.298 1.00 53.24 H new ATOM 0 HB2 ASP A 92 -3.868 -17.135 2.077 1.00 52.05 H new ATOM 0 HB3 ASP A 92 -3.829 -16.336 0.518 1.00 52.05 H new ATOM 1296 N VAL A 93 -1.461 -14.772 0.381 1.00 51.42 N ATOM 1297 CA VAL A 93 -0.926 -13.430 0.488 1.00 75.42 C ATOM 1298 C VAL A 93 -2.055 -12.403 0.494 1.00 62.43 C ATOM 1299 O VAL A 93 -2.613 -12.046 -0.551 1.00 11.40 O ATOM 1300 CB VAL A 93 0.131 -13.207 -0.603 1.00 73.11 C ATOM 1301 CG1 VAL A 93 0.794 -11.838 -0.415 1.00 13.43 C ATOM 1302 CG2 VAL A 93 1.196 -14.313 -0.532 1.00 24.10 C ATOM 0 H VAL A 93 -1.670 -15.064 -0.574 1.00 51.42 H new ATOM 0 HA VAL A 93 -0.413 -13.298 1.440 1.00 75.42 H new ATOM 0 HB VAL A 93 -0.354 -13.239 -1.579 1.00 73.11 H new ATOM 0 HG11 VAL A 93 1.543 -11.687 -1.192 1.00 13.43 H new ATOM 0 HG12 VAL A 93 0.038 -11.055 -0.482 1.00 13.43 H new ATOM 0 HG13 VAL A 93 1.273 -11.797 0.563 1.00 13.43 H new ATOM 0 HG21 VAL A 93 1.943 -14.149 -1.309 1.00 24.10 H new ATOM 0 HG22 VAL A 93 1.678 -14.292 0.445 1.00 24.10 H new ATOM 0 HG23 VAL A 93 0.723 -15.284 -0.682 1.00 24.10 H new ATOM 1312 N GLN A 94 -2.387 -11.923 1.691 1.00 71.33 N ATOM 1313 CA GLN A 94 -3.452 -10.952 1.864 1.00 54.41 C ATOM 1314 C GLN A 94 -2.946 -9.539 1.617 1.00 73.31 C ATOM 1315 O GLN A 94 -1.747 -9.250 1.502 1.00 4.32 O ATOM 1316 CB GLN A 94 -4.062 -11.035 3.276 1.00 20.52 C ATOM 1317 CG GLN A 94 -4.436 -12.449 3.713 1.00 34.44 C ATOM 1318 CD GLN A 94 -5.157 -13.246 2.629 1.00 52.12 C ATOM 1319 OE1 GLN A 94 -6.190 -12.825 2.115 1.00 55.41 O ATOM 1320 NE2 GLN A 94 -4.599 -14.370 2.216 1.00 61.41 N ATOM 0 H GLN A 94 -1.926 -12.197 2.559 1.00 71.33 H new ATOM 0 HA GLN A 94 -4.224 -11.189 1.132 1.00 54.41 H new ATOM 0 HB2 GLN A 94 -3.351 -10.621 3.992 1.00 20.52 H new ATOM 0 HB3 GLN A 94 -4.953 -10.408 3.312 1.00 20.52 H new ATOM 0 HG2 GLN A 94 -3.532 -12.982 4.005 1.00 34.44 H new ATOM 0 HG3 GLN A 94 -5.072 -12.392 4.596 1.00 34.44 H new ATOM 0 HE21 GLN A 94 -3.741 -14.705 2.655 1.00 61.41 H new ATOM 0 HE22 GLN A 94 -5.026 -14.903 1.459 1.00 61.41 H new ATOM 1327 N VAL A 95 -3.899 -8.618 1.658 1.00 44.03 N ATOM 1328 CA VAL A 95 -3.630 -7.216 1.826 1.00 32.43 C ATOM 1329 C VAL A 95 -4.452 -6.743 3.009 1.00 73.33 C ATOM 1330 O VAL A 95 -5.624 -7.106 3.155 1.00 32.12 O ATOM 1331 CB VAL A 95 -3.856 -6.461 0.500 1.00 0.33 C ATOM 1332 CG1 VAL A 95 -3.430 -4.984 0.559 1.00 14.01 C ATOM 1333 CG2 VAL A 95 -3.102 -7.129 -0.666 1.00 52.43 C ATOM 0 H VAL A 95 -4.891 -8.838 1.573 1.00 44.03 H new ATOM 0 HA VAL A 95 -2.586 -7.009 2.060 1.00 32.43 H new ATOM 0 HB VAL A 95 -4.932 -6.505 0.333 1.00 0.33 H new ATOM 0 HG11 VAL A 95 -3.616 -4.513 -0.406 1.00 14.01 H new ATOM 0 HG12 VAL A 95 -4.004 -4.470 1.330 1.00 14.01 H new ATOM 0 HG13 VAL A 95 -2.368 -4.921 0.795 1.00 14.01 H new ATOM 0 HG21 VAL A 95 -3.284 -6.571 -1.584 1.00 52.43 H new ATOM 0 HG22 VAL A 95 -2.033 -7.136 -0.451 1.00 52.43 H new ATOM 0 HG23 VAL A 95 -3.455 -8.153 -0.788 1.00 52.43 H new ATOM 1343 N PHE A 96 -3.826 -5.940 3.866 1.00 63.31 N ATOM 1344 CA PHE A 96 -4.433 -5.374 5.049 1.00 71.52 C ATOM 1345 C PHE A 96 -3.979 -3.927 5.196 1.00 34.34 C ATOM 1346 O PHE A 96 -3.039 -3.480 4.529 1.00 73.40 O ATOM 1347 CB PHE A 96 -4.036 -6.222 6.263 1.00 32.41 C ATOM 1348 CG PHE A 96 -4.872 -5.881 7.476 1.00 4.02 C ATOM 1349 CD1 PHE A 96 -6.230 -6.244 7.500 1.00 53.40 C ATOM 1350 CD2 PHE A 96 -4.329 -5.117 8.522 1.00 14.14 C ATOM 1351 CE1 PHE A 96 -7.041 -5.846 8.572 1.00 55.00 C ATOM 1352 CE2 PHE A 96 -5.140 -4.737 9.605 1.00 50.40 C ATOM 1353 CZ PHE A 96 -6.497 -5.101 9.630 1.00 70.20 C ATOM 0 H PHE A 96 -2.852 -5.662 3.745 1.00 63.31 H new ATOM 0 HA PHE A 96 -5.520 -5.379 4.971 1.00 71.52 H new ATOM 0 HB2 PHE A 96 -4.154 -7.279 6.024 1.00 32.41 H new ATOM 0 HB3 PHE A 96 -2.982 -6.063 6.490 1.00 32.41 H new ATOM 0 HD1 PHE A 96 -6.648 -6.829 6.694 1.00 53.40 H new ATOM 0 HD2 PHE A 96 -3.290 -4.822 8.494 1.00 14.14 H new ATOM 0 HE1 PHE A 96 -8.087 -6.113 8.584 1.00 55.00 H new ATOM 0 HE2 PHE A 96 -4.720 -4.165 10.419 1.00 50.40 H new ATOM 0 HZ PHE A 96 -7.120 -4.808 10.462 1.00 70.20 H new ATOM 1362 N ILE A 97 -4.637 -3.188 6.086 1.00 44.10 N ATOM 1363 CA ILE A 97 -4.352 -1.795 6.363 1.00 13.23 C ATOM 1364 C ILE A 97 -4.749 -1.456 7.802 1.00 74.12 C ATOM 1365 O ILE A 97 -5.771 -1.958 8.285 1.00 1.25 O ATOM 1366 CB ILE A 97 -5.102 -0.878 5.368 1.00 72.43 C ATOM 1367 CG1 ILE A 97 -6.547 -1.342 5.079 1.00 62.42 C ATOM 1368 CG2 ILE A 97 -4.335 -0.733 4.047 1.00 51.02 C ATOM 1369 CD1 ILE A 97 -7.281 -0.326 4.210 1.00 35.13 C ATOM 0 H ILE A 97 -5.404 -3.559 6.647 1.00 44.10 H new ATOM 0 HA ILE A 97 -3.282 -1.627 6.243 1.00 13.23 H new ATOM 0 HB ILE A 97 -5.162 0.093 5.860 1.00 72.43 H new ATOM 0 HG12 ILE A 97 -6.529 -2.310 4.578 1.00 62.42 H new ATOM 0 HG13 ILE A 97 -7.084 -1.479 6.018 1.00 62.42 H new ATOM 0 HG21 ILE A 97 -4.892 -0.082 3.373 1.00 51.02 H new ATOM 0 HG22 ILE A 97 -3.354 -0.300 4.242 1.00 51.02 H new ATOM 0 HG23 ILE A 97 -4.214 -1.714 3.587 1.00 51.02 H new ATOM 0 HD11 ILE A 97 -8.296 -0.675 4.020 1.00 35.13 H new ATOM 0 HD12 ILE A 97 -7.318 0.634 4.725 1.00 35.13 H new ATOM 0 HD13 ILE A 97 -6.754 -0.210 3.263 1.00 35.13 H new ATOM 1380 N PRO A 98 -3.990 -0.565 8.465 1.00 71.23 N ATOM 1381 CA PRO A 98 -4.400 0.011 9.732 1.00 5.12 C ATOM 1382 C PRO A 98 -5.648 0.856 9.502 1.00 21.43 C ATOM 1383 O PRO A 98 -5.622 1.756 8.657 1.00 12.22 O ATOM 1384 CB PRO A 98 -3.225 0.850 10.232 1.00 54.21 C ATOM 1385 CG PRO A 98 -2.461 1.199 8.958 1.00 30.52 C ATOM 1386 CD PRO A 98 -2.751 0.042 7.998 1.00 33.24 C ATOM 0 HA PRO A 98 -4.649 -0.744 10.477 1.00 5.12 H new ATOM 0 HB2 PRO A 98 -3.565 1.745 10.753 1.00 54.21 H new ATOM 0 HB3 PRO A 98 -2.603 0.291 10.931 1.00 54.21 H new ATOM 0 HG2 PRO A 98 -2.796 2.150 8.544 1.00 30.52 H new ATOM 0 HG3 PRO A 98 -1.392 1.294 9.151 1.00 30.52 H new ATOM 0 HD2 PRO A 98 -2.854 0.401 6.974 1.00 33.24 H new ATOM 0 HD3 PRO A 98 -1.936 -0.682 8.002 1.00 33.24 H new ATOM 1391 N GLN A 99 -6.729 0.555 10.219 1.00 24.52 N ATOM 1392 CA GLN A 99 -8.003 1.259 10.179 1.00 53.30 C ATOM 1393 C GLN A 99 -8.613 1.290 11.582 1.00 25.24 C ATOM 1394 O GLN A 99 -8.151 0.598 12.494 1.00 44.40 O ATOM 1395 CB GLN A 99 -8.967 0.530 9.225 1.00 3.34 C ATOM 1396 CG GLN A 99 -8.655 0.684 7.730 1.00 64.44 C ATOM 1397 CD GLN A 99 -8.776 2.123 7.254 1.00 64.21 C ATOM 1398 OE1 GLN A 99 -9.872 2.657 7.100 1.00 0.34 O ATOM 1399 NE2 GLN A 99 -7.660 2.794 7.061 1.00 63.51 N ATOM 0 H GLN A 99 -6.737 -0.226 10.875 1.00 24.52 H new ATOM 0 HA GLN A 99 -7.840 2.277 9.826 1.00 53.30 H new ATOM 0 HB2 GLN A 99 -8.962 -0.532 9.472 1.00 3.34 H new ATOM 0 HB3 GLN A 99 -9.978 0.896 9.408 1.00 3.34 H new ATOM 0 HG2 GLN A 99 -7.645 0.324 7.534 1.00 64.44 H new ATOM 0 HG3 GLN A 99 -9.335 0.056 7.154 1.00 64.44 H new ATOM 0 HE21 GLN A 99 -6.759 2.334 7.194 1.00 63.51 H new ATOM 0 HE22 GLN A 99 -7.696 3.774 6.779 1.00 63.51 H new ATOM 1406 N GLY A 100 -9.680 2.066 11.745 1.00 24.12 N ATOM 1407 CA GLY A 100 -10.628 1.959 12.831 1.00 2.12 C ATOM 1408 C GLY A 100 -10.983 3.355 13.296 1.00 51.32 C ATOM 1409 O GLY A 100 -12.031 3.881 12.920 1.00 12.15 O ATOM 0 H GLY A 100 -9.911 2.816 11.093 1.00 24.12 H new ATOM 0 HA2 GLY A 100 -11.523 1.430 12.502 1.00 2.12 H new ATOM 0 HA3 GLY A 100 -10.201 1.383 13.652 1.00 2.12 H new ATOM 1413 N GLU A 101 -10.105 3.943 14.103 1.00 4.32 N ATOM 1414 CA GLU A 101 -10.371 5.153 14.866 1.00 62.33 C ATOM 1415 C GLU A 101 -9.252 6.184 14.706 1.00 22.54 C ATOM 1416 O GLU A 101 -9.181 7.150 15.467 1.00 74.10 O ATOM 1417 CB GLU A 101 -10.617 4.806 16.340 1.00 13.13 C ATOM 1418 CG GLU A 101 -11.778 3.832 16.607 1.00 12.04 C ATOM 1419 CD GLU A 101 -11.444 2.346 16.407 1.00 73.23 C ATOM 1420 OE1 GLU A 101 -10.252 1.971 16.281 1.00 33.41 O ATOM 1421 OE2 GLU A 101 -12.391 1.524 16.442 1.00 74.51 O ATOM 0 H GLU A 101 -9.163 3.579 14.247 1.00 4.32 H new ATOM 0 HA GLU A 101 -11.275 5.613 14.468 1.00 62.33 H new ATOM 0 HB2 GLU A 101 -9.704 4.376 16.751 1.00 13.13 H new ATOM 0 HB3 GLU A 101 -10.808 5.730 16.886 1.00 13.13 H new ATOM 0 HG2 GLU A 101 -12.124 3.976 17.631 1.00 12.04 H new ATOM 0 HG3 GLU A 101 -12.608 4.093 15.951 1.00 12.04 H new ATOM 1426 N ILE A 102 -8.412 5.976 13.695 1.00 25.54 N ATOM 1427 CA ILE A 102 -7.265 6.793 13.311 1.00 34.25 C ATOM 1428 C ILE A 102 -7.722 8.093 12.638 1.00 5.02 C ATOM 1429 O ILE A 102 -7.226 8.485 11.577 1.00 33.52 O ATOM 1430 CB ILE A 102 -6.279 5.961 12.459 1.00 33.51 C ATOM 1431 CG1 ILE A 102 -6.947 5.277 11.244 1.00 63.54 C ATOM 1432 CG2 ILE A 102 -5.594 4.939 13.374 1.00 25.11 C ATOM 1433 CD1 ILE A 102 -5.955 4.687 10.238 1.00 3.23 C ATOM 0 H ILE A 102 -8.524 5.172 13.077 1.00 25.54 H new ATOM 0 HA ILE A 102 -6.718 7.100 14.202 1.00 34.25 H new ATOM 0 HB ILE A 102 -5.540 6.638 12.030 1.00 33.51 H new ATOM 0 HG12 ILE A 102 -7.602 4.482 11.602 1.00 63.54 H new ATOM 0 HG13 ILE A 102 -7.578 6.004 10.733 1.00 63.54 H new ATOM 0 HG21 ILE A 102 -4.893 4.341 12.791 1.00 25.11 H new ATOM 0 HG22 ILE A 102 -5.055 5.462 14.164 1.00 25.11 H new ATOM 0 HG23 ILE A 102 -6.346 4.287 13.818 1.00 25.11 H new ATOM 0 HD11 ILE A 102 -6.502 4.226 9.416 1.00 3.23 H new ATOM 0 HD12 ILE A 102 -5.316 5.480 9.849 1.00 3.23 H new ATOM 0 HD13 ILE A 102 -5.340 3.935 10.732 1.00 3.23 H new ATOM 1444 N ASP A 103 -8.644 8.793 13.286 1.00 71.50 N ATOM 1445 CA ASP A 103 -9.190 10.077 12.896 1.00 65.41 C ATOM 1446 C ASP A 103 -9.049 11.044 14.067 1.00 41.02 C ATOM 1447 O ASP A 103 -8.958 12.268 13.827 1.00 5.03 O ATOM 1448 CB ASP A 103 -10.645 9.919 12.407 1.00 24.54 C ATOM 1449 CG ASP A 103 -11.697 9.862 13.518 1.00 13.25 C ATOM 1450 OD1 ASP A 103 -12.212 10.932 13.912 1.00 41.32 O ATOM 1451 OD2 ASP A 103 -12.096 8.734 13.903 1.00 30.12 O ATOM 0 H ASP A 103 -9.054 8.452 14.155 1.00 71.50 H new ATOM 0 HA ASP A 103 -8.636 10.492 12.054 1.00 65.41 H new ATOM 0 HB2 ASP A 103 -10.882 10.751 11.744 1.00 24.54 H new ATOM 0 HB3 ASP A 103 -10.716 9.008 11.813 1.00 24.54 H new TER 1455 ASP A 103