USER MOD reduce.3.24.130724 H: found=0, std=0, add=843, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 844 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 21 MET CE :methyl -163:sc= -0.865 (180deg=-2.09!) USER MOD Set 1.2: A 94 LYS NZ :NH3+ -152:sc= -1.49 (180deg=-1.54!) USER MOD Single : A 4 TYR OH : rot 69:sc= 0.394 USER MOD Single : A 9 SER OG : rot -114:sc= 0.28 USER MOD Single : A 10 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 ASN : amide:sc=-0.00254 K(o=-0.0025,f=-1.4) USER MOD Single : A 31 THR OG1 : rot 36:sc= 0.186 USER MOD Single : A 33 LYS NZ :NH3+ 161:sc= 0.891 (180deg=0.495) USER MOD Single : A 34 THR OG1 : rot 180:sc=-0.00405 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ 152:sc= 0.826 (180deg=0.352) USER MOD Single : A 41 TYR OH : rot -150:sc= 0.402 USER MOD Single : A 47 LYS NZ :NH3+ 157:sc= 0.388 (180deg=0.0888) USER MOD Single : A 49 SER OG : rot -83:sc= 0.87 USER MOD Single : A 50 GLN :FLIP amide:sc= 0 F(o=-0.64,f=0) USER MOD Single : A 51 ASN : amide:sc= 0 X(o=0,f=-0.49) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 SER OG : rot 180:sc= 0.00169 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=-0.3) USER MOD Single : A 66 LYS NZ :NH3+ -176:sc= -0.0912 (180deg=-0.12) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 GLN : amide:sc= -0.199 X(o=-0.2,f=-0.1) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 MET CE :methyl -171:sc= -0.0252 (180deg=-0.137) USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ -170:sc= 0.812 (180deg=0.73) USER MOD Single : A 97 SER OG : rot 69:sc= 0.474 USER MOD ----------------------------------------------------------------- ATOM 20 N LEU A 2 -10.007 -1.452 10.096 1.00 64.20 N ATOM 21 CA LEU A 2 -9.513 -2.089 8.869 1.00 2.14 C ATOM 22 C LEU A 2 -8.324 -1.268 8.312 1.00 32.14 C ATOM 23 O LEU A 2 -8.507 -0.180 7.763 1.00 12.24 O ATOM 24 CB LEU A 2 -10.661 -2.215 7.818 1.00 2.14 C ATOM 25 CG LEU A 2 -11.950 -2.995 8.253 1.00 32.11 C ATOM 26 CD1 LEU A 2 -13.006 -2.999 7.126 1.00 73.25 C ATOM 27 CD2 LEU A 2 -11.625 -4.429 8.718 1.00 23.14 C ATOM 0 HA LEU A 2 -9.166 -3.098 9.094 1.00 2.14 H new ATOM 0 HB2 LEU A 2 -10.959 -1.209 7.521 1.00 2.14 H new ATOM 0 HB3 LEU A 2 -10.255 -2.702 6.931 1.00 2.14 H new ATOM 0 HG LEU A 2 -12.373 -2.468 9.108 1.00 32.11 H new ATOM 0 HD11 LEU A 2 -13.889 -3.547 7.456 1.00 73.25 H new ATOM 0 HD12 LEU A 2 -13.285 -1.973 6.885 1.00 73.25 H new ATOM 0 HD13 LEU A 2 -12.591 -3.480 6.240 1.00 73.25 H new ATOM 0 HD21 LEU A 2 -12.546 -4.934 9.010 1.00 23.14 H new ATOM 0 HD22 LEU A 2 -11.153 -4.978 7.903 1.00 23.14 H new ATOM 0 HD23 LEU A 2 -10.946 -4.390 9.570 1.00 23.14 H new ATOM 39 N LEU A 3 -7.098 -1.780 8.533 1.00 33.20 N ATOM 40 CA LEU A 3 -5.851 -1.158 8.047 1.00 22.43 C ATOM 41 C LEU A 3 -5.146 -2.124 7.080 1.00 31.13 C ATOM 42 O LEU A 3 -4.664 -3.191 7.487 1.00 54.34 O ATOM 43 CB LEU A 3 -4.916 -0.819 9.250 1.00 54.44 C ATOM 44 CG LEU A 3 -5.470 0.179 10.319 1.00 33.14 C ATOM 45 CD1 LEU A 3 -4.470 0.355 11.488 1.00 32.43 C ATOM 46 CD2 LEU A 3 -5.832 1.537 9.683 1.00 31.35 C ATOM 0 H LEU A 3 -6.944 -2.642 9.057 1.00 33.20 H new ATOM 0 HA LEU A 3 -6.087 -0.232 7.523 1.00 22.43 H new ATOM 0 HB2 LEU A 3 -4.663 -1.751 9.755 1.00 54.44 H new ATOM 0 HB3 LEU A 3 -3.987 -0.409 8.853 1.00 54.44 H new ATOM 0 HG LEU A 3 -6.387 -0.247 10.727 1.00 33.14 H new ATOM 0 HD11 LEU A 3 -4.881 1.054 12.216 1.00 32.43 H new ATOM 0 HD12 LEU A 3 -4.297 -0.609 11.967 1.00 32.43 H new ATOM 0 HD13 LEU A 3 -3.527 0.744 11.104 1.00 32.43 H new ATOM 0 HD21 LEU A 3 -6.214 2.209 10.452 1.00 31.35 H new ATOM 0 HD22 LEU A 3 -4.943 1.974 9.228 1.00 31.35 H new ATOM 0 HD23 LEU A 3 -6.595 1.389 8.919 1.00 31.35 H new ATOM 58 N TYR A 4 -5.101 -1.754 5.797 1.00 21.11 N ATOM 59 CA TYR A 4 -4.486 -2.577 4.744 1.00 5.54 C ATOM 60 C TYR A 4 -3.310 -1.833 4.124 1.00 64.24 C ATOM 61 O TYR A 4 -3.307 -0.606 4.062 1.00 52.20 O ATOM 62 CB TYR A 4 -5.539 -2.949 3.670 1.00 22.41 C ATOM 63 CG TYR A 4 -6.626 -3.897 4.201 1.00 65.41 C ATOM 64 CD1 TYR A 4 -7.788 -3.412 4.807 1.00 34.31 C ATOM 65 CD2 TYR A 4 -6.475 -5.282 4.113 1.00 34.05 C ATOM 66 CE1 TYR A 4 -8.747 -4.275 5.307 1.00 23.23 C ATOM 67 CE2 TYR A 4 -7.433 -6.141 4.619 1.00 44.45 C ATOM 68 CZ TYR A 4 -8.564 -5.632 5.209 1.00 61.40 C ATOM 69 OH TYR A 4 -9.516 -6.484 5.717 1.00 54.33 O ATOM 0 H TYR A 4 -5.490 -0.875 5.456 1.00 21.11 H new ATOM 0 HA TYR A 4 -4.113 -3.502 5.184 1.00 5.54 H new ATOM 0 HB2 TYR A 4 -6.008 -2.038 3.298 1.00 22.41 H new ATOM 0 HB3 TYR A 4 -5.037 -3.418 2.823 1.00 22.41 H new ATOM 0 HD1 TYR A 4 -7.940 -2.346 4.886 1.00 34.31 H new ATOM 0 HD2 TYR A 4 -5.594 -5.690 3.641 1.00 34.05 H new ATOM 0 HE1 TYR A 4 -9.638 -3.882 5.774 1.00 23.23 H new ATOM 0 HE2 TYR A 4 -7.292 -7.210 4.550 1.00 44.45 H new ATOM 0 HH TYR A 4 -10.329 -6.429 5.172 1.00 54.33 H new ATOM 79 N VAL A 5 -2.294 -2.594 3.713 1.00 15.01 N ATOM 80 CA VAL A 5 -1.082 -2.055 3.082 1.00 64.14 C ATOM 81 C VAL A 5 -0.904 -2.695 1.687 1.00 62.02 C ATOM 82 O VAL A 5 -0.911 -3.913 1.564 1.00 64.35 O ATOM 83 CB VAL A 5 0.187 -2.335 3.985 1.00 12.15 C ATOM 84 CG1 VAL A 5 1.457 -1.741 3.354 1.00 21.31 C ATOM 85 CG2 VAL A 5 -0.018 -1.803 5.432 1.00 63.21 C ATOM 0 H VAL A 5 -2.287 -3.610 3.808 1.00 15.01 H new ATOM 0 HA VAL A 5 -1.186 -0.975 2.972 1.00 64.14 H new ATOM 0 HB VAL A 5 0.316 -3.416 4.045 1.00 12.15 H new ATOM 0 HG11 VAL A 5 2.313 -1.948 3.996 1.00 21.31 H new ATOM 0 HG12 VAL A 5 1.621 -2.190 2.374 1.00 21.31 H new ATOM 0 HG13 VAL A 5 1.339 -0.663 3.244 1.00 21.31 H new ATOM 0 HG21 VAL A 5 0.872 -2.011 6.026 1.00 63.21 H new ATOM 0 HG22 VAL A 5 -0.191 -0.727 5.403 1.00 63.21 H new ATOM 0 HG23 VAL A 5 -0.879 -2.297 5.883 1.00 63.21 H new ATOM 95 N LEU A 6 -0.786 -1.866 0.639 1.00 23.35 N ATOM 96 CA LEU A 6 -0.501 -2.328 -0.732 1.00 43.23 C ATOM 97 C LEU A 6 0.936 -1.945 -1.099 1.00 53.34 C ATOM 98 O LEU A 6 1.259 -0.761 -1.145 1.00 64.45 O ATOM 99 CB LEU A 6 -1.512 -1.696 -1.732 1.00 11.22 C ATOM 100 CG LEU A 6 -3.013 -2.068 -1.524 1.00 14.42 C ATOM 101 CD1 LEU A 6 -3.905 -1.499 -2.655 1.00 51.52 C ATOM 102 CD2 LEU A 6 -3.201 -3.587 -1.368 1.00 13.32 C ATOM 0 H LEU A 6 -0.885 -0.854 0.716 1.00 23.35 H new ATOM 0 HA LEU A 6 -0.607 -3.411 -0.785 1.00 43.23 H new ATOM 0 HB2 LEU A 6 -1.417 -0.612 -1.675 1.00 11.22 H new ATOM 0 HB3 LEU A 6 -1.223 -1.989 -2.741 1.00 11.22 H new ATOM 0 HG LEU A 6 -3.335 -1.602 -0.593 1.00 14.42 H new ATOM 0 HD11 LEU A 6 -4.943 -1.779 -2.475 1.00 51.52 H new ATOM 0 HD12 LEU A 6 -3.820 -0.412 -2.674 1.00 51.52 H new ATOM 0 HD13 LEU A 6 -3.581 -1.905 -3.613 1.00 51.52 H new ATOM 0 HD21 LEU A 6 -4.258 -3.810 -1.225 1.00 13.32 H new ATOM 0 HD22 LEU A 6 -2.842 -4.092 -2.265 1.00 13.32 H new ATOM 0 HD23 LEU A 6 -2.636 -3.937 -0.504 1.00 13.32 H new ATOM 114 N ILE A 7 1.802 -2.942 -1.349 1.00 21.54 N ATOM 115 CA ILE A 7 3.211 -2.681 -1.688 1.00 2.24 C ATOM 116 C ILE A 7 3.408 -2.792 -3.221 1.00 35.25 C ATOM 117 O ILE A 7 3.111 -3.820 -3.830 1.00 71.10 O ATOM 118 CB ILE A 7 4.206 -3.642 -0.916 1.00 61.45 C ATOM 119 CG1 ILE A 7 5.692 -3.249 -1.200 1.00 3.23 C ATOM 120 CG2 ILE A 7 3.962 -5.133 -1.227 1.00 51.52 C ATOM 121 CD1 ILE A 7 6.108 -1.918 -0.605 1.00 22.41 C ATOM 0 H ILE A 7 1.553 -3.931 -1.323 1.00 21.54 H new ATOM 0 HA ILE A 7 3.450 -1.667 -1.366 1.00 2.24 H new ATOM 0 HB ILE A 7 4.005 -3.509 0.147 1.00 61.45 H new ATOM 0 HG12 ILE A 7 6.344 -4.029 -0.807 1.00 3.23 H new ATOM 0 HG13 ILE A 7 5.848 -3.217 -2.278 1.00 3.23 H new ATOM 0 HG21 ILE A 7 4.674 -5.742 -0.669 1.00 51.52 H new ATOM 0 HG22 ILE A 7 2.947 -5.404 -0.937 1.00 51.52 H new ATOM 0 HG23 ILE A 7 4.093 -5.308 -2.295 1.00 51.52 H new ATOM 0 HD11 ILE A 7 7.152 -1.721 -0.848 1.00 22.41 H new ATOM 0 HD12 ILE A 7 5.484 -1.125 -1.016 1.00 22.41 H new ATOM 0 HD13 ILE A 7 5.988 -1.950 0.478 1.00 22.41 H new ATOM 133 N ILE A 8 3.878 -1.702 -3.837 1.00 20.31 N ATOM 134 CA ILE A 8 4.234 -1.650 -5.265 1.00 23.41 C ATOM 135 C ILE A 8 5.761 -1.527 -5.350 1.00 35.32 C ATOM 136 O ILE A 8 6.322 -0.458 -5.065 1.00 30.13 O ATOM 137 CB ILE A 8 3.575 -0.425 -6.024 1.00 31.14 C ATOM 138 CG1 ILE A 8 2.024 -0.448 -5.894 1.00 73.02 C ATOM 139 CG2 ILE A 8 4.022 -0.376 -7.512 1.00 61.03 C ATOM 140 CD1 ILE A 8 1.278 0.570 -6.744 1.00 4.01 C ATOM 0 H ILE A 8 4.025 -0.816 -3.353 1.00 20.31 H new ATOM 0 HA ILE A 8 3.861 -2.554 -5.746 1.00 23.41 H new ATOM 0 HB ILE A 8 3.929 0.489 -5.547 1.00 31.14 H new ATOM 0 HG12 ILE A 8 1.670 -1.444 -6.158 1.00 73.02 H new ATOM 0 HG13 ILE A 8 1.762 -0.283 -4.849 1.00 73.02 H new ATOM 0 HG21 ILE A 8 3.553 0.475 -8.005 1.00 61.03 H new ATOM 0 HG22 ILE A 8 5.106 -0.273 -7.563 1.00 61.03 H new ATOM 0 HG23 ILE A 8 3.721 -1.296 -8.013 1.00 61.03 H new ATOM 0 HD11 ILE A 8 0.206 0.467 -6.577 1.00 4.01 H new ATOM 0 HD12 ILE A 8 1.594 1.576 -6.467 1.00 4.01 H new ATOM 0 HD13 ILE A 8 1.500 0.397 -7.797 1.00 4.01 H new ATOM 152 N SER A 9 6.420 -2.635 -5.687 1.00 21.11 N ATOM 153 CA SER A 9 7.869 -2.679 -5.877 1.00 31.34 C ATOM 154 C SER A 9 8.212 -3.877 -6.764 1.00 30.23 C ATOM 155 O SER A 9 7.582 -4.932 -6.660 1.00 3.41 O ATOM 156 CB SER A 9 8.587 -2.793 -4.509 1.00 34.44 C ATOM 157 OG SER A 9 10.002 -2.814 -4.646 1.00 12.52 O ATOM 0 H SER A 9 5.960 -3.533 -5.837 1.00 21.11 H new ATOM 0 HA SER A 9 8.206 -1.761 -6.358 1.00 31.34 H new ATOM 0 HB2 SER A 9 8.297 -1.953 -3.877 1.00 34.44 H new ATOM 0 HB3 SER A 9 8.259 -3.701 -4.003 1.00 34.44 H new ATOM 0 HG SER A 9 10.346 -3.685 -4.357 1.00 12.52 H new ATOM 163 N ASN A 10 9.167 -3.679 -7.676 1.00 73.30 N ATOM 164 CA ASN A 10 9.781 -4.764 -8.459 1.00 73.11 C ATOM 165 C ASN A 10 10.915 -5.414 -7.630 1.00 72.52 C ATOM 166 O ASN A 10 11.270 -6.571 -7.854 1.00 50.21 O ATOM 167 CB ASN A 10 10.318 -4.194 -9.808 1.00 52.15 C ATOM 168 CG ASN A 10 10.816 -5.277 -10.777 1.00 3.11 C ATOM 169 OD1 ASN A 10 11.990 -5.647 -10.768 1.00 34.23 O ATOM 170 ND2 ASN A 10 9.927 -5.779 -11.629 1.00 62.13 N ATOM 0 H ASN A 10 9.541 -2.756 -7.896 1.00 73.30 H new ATOM 0 HA ASN A 10 9.040 -5.530 -8.687 1.00 73.11 H new ATOM 0 HB2 ASN A 10 9.527 -3.621 -10.292 1.00 52.15 H new ATOM 0 HB3 ASN A 10 11.133 -3.500 -9.601 1.00 52.15 H new ATOM 0 HD21 ASN A 10 10.211 -6.492 -12.301 1.00 62.13 H new ATOM 0 HD22 ASN A 10 8.961 -5.451 -11.611 1.00 62.13 H new ATOM 177 N ASP A 11 11.454 -4.645 -6.653 1.00 73.14 N ATOM 178 CA ASP A 11 12.540 -5.101 -5.761 1.00 31.11 C ATOM 179 C ASP A 11 11.951 -5.989 -4.651 1.00 20.13 C ATOM 180 O ASP A 11 11.283 -5.487 -3.734 1.00 75.52 O ATOM 181 CB ASP A 11 13.297 -3.891 -5.151 1.00 42.52 C ATOM 182 CG ASP A 11 14.522 -4.298 -4.304 1.00 72.41 C ATOM 183 OD1 ASP A 11 15.490 -4.852 -4.870 1.00 24.24 O ATOM 184 OD2 ASP A 11 14.518 -4.074 -3.075 1.00 4.34 O ATOM 0 H ASP A 11 11.146 -3.691 -6.464 1.00 73.14 H new ATOM 0 HA ASP A 11 13.256 -5.682 -6.342 1.00 31.11 H new ATOM 0 HB2 ASP A 11 13.624 -3.233 -5.956 1.00 42.52 H new ATOM 0 HB3 ASP A 11 12.609 -3.317 -4.530 1.00 42.52 H new ATOM 189 N LYS A 12 12.211 -7.305 -4.770 1.00 51.52 N ATOM 190 CA LYS A 12 11.695 -8.347 -3.847 1.00 75.34 C ATOM 191 C LYS A 12 12.156 -8.108 -2.403 1.00 1.14 C ATOM 192 O LYS A 12 11.432 -8.439 -1.468 1.00 43.14 O ATOM 193 CB LYS A 12 12.103 -9.794 -4.293 1.00 3.52 C ATOM 194 CG LYS A 12 11.428 -10.308 -5.590 1.00 61.50 C ATOM 195 CD LYS A 12 11.972 -9.644 -6.876 1.00 50.23 C ATOM 196 CE LYS A 12 11.161 -10.004 -8.130 1.00 74.01 C ATOM 197 NZ LYS A 12 11.166 -11.463 -8.410 1.00 12.52 N ATOM 0 H LYS A 12 12.792 -7.684 -5.518 1.00 51.52 H new ATOM 0 HA LYS A 12 10.609 -8.269 -3.889 1.00 75.34 H new ATOM 0 HB2 LYS A 12 13.184 -9.821 -4.431 1.00 3.52 H new ATOM 0 HB3 LYS A 12 11.868 -10.485 -3.483 1.00 3.52 H new ATOM 0 HG2 LYS A 12 11.569 -11.387 -5.660 1.00 61.50 H new ATOM 0 HG3 LYS A 12 10.354 -10.131 -5.526 1.00 61.50 H new ATOM 0 HD2 LYS A 12 11.970 -8.562 -6.748 1.00 50.23 H new ATOM 0 HD3 LYS A 12 13.009 -9.945 -7.023 1.00 50.23 H new ATOM 0 HE2 LYS A 12 10.133 -9.665 -8.004 1.00 74.01 H new ATOM 0 HE3 LYS A 12 11.569 -9.471 -8.989 1.00 74.01 H new ATOM 0 HZ1 LYS A 12 10.606 -11.654 -9.265 1.00 12.52 H new ATOM 0 HZ2 LYS A 12 12.144 -11.785 -8.558 1.00 12.52 H new ATOM 0 HZ3 LYS A 12 10.752 -11.973 -7.604 1.00 12.52 H new ATOM 211 N LYS A 13 13.353 -7.505 -2.243 1.00 0.14 N ATOM 212 CA LYS A 13 13.929 -7.209 -0.922 1.00 34.42 C ATOM 213 C LYS A 13 13.065 -6.165 -0.192 1.00 40.14 C ATOM 214 O LYS A 13 12.710 -6.359 0.965 1.00 10.51 O ATOM 215 CB LYS A 13 15.397 -6.714 -1.061 1.00 3.21 C ATOM 216 CG LYS A 13 16.333 -7.682 -1.816 1.00 62.12 C ATOM 217 CD LYS A 13 16.460 -9.068 -1.139 1.00 32.15 C ATOM 218 CE LYS A 13 17.480 -9.980 -1.853 1.00 42.23 C ATOM 219 NZ LYS A 13 17.629 -11.295 -1.167 1.00 61.32 N ATOM 0 H LYS A 13 13.941 -7.213 -3.023 1.00 0.14 H new ATOM 0 HA LYS A 13 13.939 -8.125 -0.331 1.00 34.42 H new ATOM 0 HB2 LYS A 13 15.395 -5.754 -1.577 1.00 3.21 H new ATOM 0 HB3 LYS A 13 15.804 -6.539 -0.065 1.00 3.21 H new ATOM 0 HG2 LYS A 13 15.962 -7.815 -2.832 1.00 62.12 H new ATOM 0 HG3 LYS A 13 17.323 -7.232 -1.894 1.00 62.12 H new ATOM 0 HD2 LYS A 13 16.760 -8.936 -0.100 1.00 32.15 H new ATOM 0 HD3 LYS A 13 15.485 -9.555 -1.129 1.00 32.15 H new ATOM 0 HE2 LYS A 13 17.162 -10.142 -2.883 1.00 42.23 H new ATOM 0 HE3 LYS A 13 18.448 -9.480 -1.893 1.00 42.23 H new ATOM 0 HZ1 LYS A 13 18.323 -11.877 -1.679 1.00 61.32 H new ATOM 0 HZ2 LYS A 13 17.957 -11.143 -0.192 1.00 61.32 H new ATOM 0 HZ3 LYS A 13 16.711 -11.784 -1.151 1.00 61.32 H new ATOM 233 N LEU A 14 12.701 -5.084 -0.912 1.00 73.20 N ATOM 234 CA LEU A 14 11.859 -3.991 -0.375 1.00 0.54 C ATOM 235 C LEU A 14 10.426 -4.500 -0.079 1.00 61.24 C ATOM 236 O LEU A 14 9.791 -4.042 0.882 1.00 34.42 O ATOM 237 CB LEU A 14 11.874 -2.778 -1.367 1.00 62.12 C ATOM 238 CG LEU A 14 11.223 -1.421 -0.880 1.00 72.03 C ATOM 239 CD1 LEU A 14 11.915 -0.203 -1.537 1.00 31.03 C ATOM 240 CD2 LEU A 14 9.705 -1.367 -1.154 1.00 43.14 C ATOM 0 H LEU A 14 12.982 -4.943 -1.882 1.00 73.20 H new ATOM 0 HA LEU A 14 12.268 -3.646 0.574 1.00 0.54 H new ATOM 0 HB2 LEU A 14 12.911 -2.576 -1.633 1.00 62.12 H new ATOM 0 HB3 LEU A 14 11.365 -3.085 -2.280 1.00 62.12 H new ATOM 0 HG LEU A 14 11.371 -1.379 0.199 1.00 72.03 H new ATOM 0 HD11 LEU A 14 11.447 0.716 -1.184 1.00 31.03 H new ATOM 0 HD12 LEU A 14 12.972 -0.197 -1.270 1.00 31.03 H new ATOM 0 HD13 LEU A 14 11.815 -0.268 -2.620 1.00 31.03 H new ATOM 0 HD21 LEU A 14 9.305 -0.416 -0.802 1.00 43.14 H new ATOM 0 HD22 LEU A 14 9.525 -1.462 -2.225 1.00 43.14 H new ATOM 0 HD23 LEU A 14 9.211 -2.185 -0.629 1.00 43.14 H new ATOM 252 N ILE A 15 9.933 -5.452 -0.909 1.00 21.15 N ATOM 253 CA ILE A 15 8.615 -6.104 -0.705 1.00 34.04 C ATOM 254 C ILE A 15 8.610 -6.896 0.621 1.00 11.12 C ATOM 255 O ILE A 15 7.676 -6.777 1.420 1.00 10.12 O ATOM 256 CB ILE A 15 8.254 -7.086 -1.890 1.00 34.01 C ATOM 257 CG1 ILE A 15 8.172 -6.329 -3.251 1.00 22.30 C ATOM 258 CG2 ILE A 15 6.937 -7.847 -1.612 1.00 15.14 C ATOM 259 CD1 ILE A 15 7.947 -7.226 -4.461 1.00 61.22 C ATOM 0 H ILE A 15 10.433 -5.788 -1.732 1.00 21.15 H new ATOM 0 HA ILE A 15 7.867 -5.312 -0.672 1.00 34.04 H new ATOM 0 HB ILE A 15 9.059 -7.818 -1.958 1.00 34.01 H new ATOM 0 HG12 ILE A 15 7.362 -5.601 -3.199 1.00 22.30 H new ATOM 0 HG13 ILE A 15 9.096 -5.769 -3.397 1.00 22.30 H new ATOM 0 HG21 ILE A 15 6.719 -8.513 -2.447 1.00 15.14 H new ATOM 0 HG22 ILE A 15 7.041 -8.432 -0.698 1.00 15.14 H new ATOM 0 HG23 ILE A 15 6.122 -7.133 -1.495 1.00 15.14 H new ATOM 0 HD11 ILE A 15 7.903 -6.616 -5.363 1.00 61.22 H new ATOM 0 HD12 ILE A 15 8.768 -7.938 -4.544 1.00 61.22 H new ATOM 0 HD13 ILE A 15 7.008 -7.767 -4.343 1.00 61.22 H new ATOM 271 N GLU A 16 9.673 -7.703 0.816 1.00 51.31 N ATOM 272 CA GLU A 16 9.848 -8.540 2.015 1.00 12.22 C ATOM 273 C GLU A 16 9.974 -7.667 3.271 1.00 63.44 C ATOM 274 O GLU A 16 9.292 -7.916 4.252 1.00 32.21 O ATOM 275 CB GLU A 16 11.076 -9.483 1.870 1.00 10.52 C ATOM 276 CG GLU A 16 10.902 -10.585 0.807 1.00 40.13 C ATOM 277 CD GLU A 16 12.172 -11.423 0.603 1.00 13.22 C ATOM 278 OE1 GLU A 16 13.111 -10.941 -0.073 1.00 3.10 O ATOM 279 OE2 GLU A 16 12.256 -12.556 1.133 1.00 4.33 O ATOM 0 H GLU A 16 10.435 -7.791 0.143 1.00 51.31 H new ATOM 0 HA GLU A 16 8.961 -9.165 2.120 1.00 12.22 H new ATOM 0 HB2 GLU A 16 11.952 -8.885 1.618 1.00 10.52 H new ATOM 0 HB3 GLU A 16 11.277 -9.951 2.834 1.00 10.52 H new ATOM 0 HG2 GLU A 16 10.083 -11.241 1.102 1.00 40.13 H new ATOM 0 HG3 GLU A 16 10.618 -10.127 -0.141 1.00 40.13 H new ATOM 286 N GLU A 17 10.812 -6.614 3.194 1.00 51.31 N ATOM 287 CA GLU A 17 11.047 -5.673 4.313 1.00 41.35 C ATOM 288 C GLU A 17 9.739 -4.991 4.777 1.00 24.35 C ATOM 289 O GLU A 17 9.505 -4.826 5.988 1.00 43.34 O ATOM 290 CB GLU A 17 12.093 -4.596 3.904 1.00 10.12 C ATOM 291 CG GLU A 17 13.536 -5.117 3.750 1.00 75.14 C ATOM 292 CD GLU A 17 14.117 -5.721 5.044 1.00 61.41 C ATOM 293 OE1 GLU A 17 14.372 -4.956 5.999 1.00 31.42 O ATOM 294 OE2 GLU A 17 14.316 -6.954 5.114 1.00 12.35 O ATOM 0 H GLU A 17 11.346 -6.390 2.355 1.00 51.31 H new ATOM 0 HA GLU A 17 11.434 -6.253 5.150 1.00 41.35 H new ATOM 0 HB2 GLU A 17 11.781 -4.148 2.960 1.00 10.12 H new ATOM 0 HB3 GLU A 17 12.087 -3.802 4.651 1.00 10.12 H new ATOM 0 HG2 GLU A 17 13.558 -5.873 2.965 1.00 75.14 H new ATOM 0 HG3 GLU A 17 14.176 -4.298 3.422 1.00 75.14 H new ATOM 301 N ALA A 18 8.904 -4.602 3.796 1.00 45.41 N ATOM 302 CA ALA A 18 7.594 -3.973 4.043 1.00 53.34 C ATOM 303 C ALA A 18 6.612 -4.995 4.655 1.00 33.33 C ATOM 304 O ALA A 18 5.959 -4.726 5.675 1.00 54.42 O ATOM 305 CB ALA A 18 7.039 -3.395 2.732 1.00 45.22 C ATOM 0 H ALA A 18 9.120 -4.716 2.806 1.00 45.41 H new ATOM 0 HA ALA A 18 7.718 -3.159 4.757 1.00 53.34 H new ATOM 0 HB1 ALA A 18 6.071 -2.931 2.920 1.00 45.22 H new ATOM 0 HB2 ALA A 18 7.730 -2.647 2.343 1.00 45.22 H new ATOM 0 HB3 ALA A 18 6.922 -4.196 2.002 1.00 45.22 H new ATOM 311 N ARG A 19 6.557 -6.185 4.029 1.00 12.51 N ATOM 312 CA ARG A 19 5.677 -7.293 4.455 1.00 30.51 C ATOM 313 C ARG A 19 5.993 -7.742 5.893 1.00 24.41 C ATOM 314 O ARG A 19 5.078 -7.999 6.669 1.00 33.10 O ATOM 315 CB ARG A 19 5.773 -8.492 3.471 1.00 54.04 C ATOM 316 CG ARG A 19 4.909 -9.715 3.860 1.00 41.13 C ATOM 317 CD ARG A 19 4.946 -10.831 2.804 1.00 52.22 C ATOM 318 NE ARG A 19 6.319 -11.204 2.420 1.00 74.44 N ATOM 319 CZ ARG A 19 7.125 -12.058 3.077 1.00 32.24 C ATOM 320 NH1 ARG A 19 6.739 -12.665 4.198 1.00 44.32 N ATOM 321 NH2 ARG A 19 8.326 -12.305 2.582 1.00 32.34 N ATOM 0 H ARG A 19 7.123 -6.408 3.210 1.00 12.51 H new ATOM 0 HA ARG A 19 4.653 -6.921 4.440 1.00 30.51 H new ATOM 0 HB2 ARG A 19 5.476 -8.155 2.478 1.00 54.04 H new ATOM 0 HB3 ARG A 19 6.814 -8.806 3.402 1.00 54.04 H new ATOM 0 HG2 ARG A 19 5.258 -10.112 4.813 1.00 41.13 H new ATOM 0 HG3 ARG A 19 3.878 -9.394 4.006 1.00 41.13 H new ATOM 0 HD2 ARG A 19 4.430 -11.709 3.191 1.00 52.22 H new ATOM 0 HD3 ARG A 19 4.401 -10.506 1.918 1.00 52.22 H new ATOM 0 HE ARG A 19 6.694 -10.773 1.575 1.00 74.44 H new ATOM 0 HH11 ARG A 19 5.810 -12.487 4.580 1.00 44.32 H new ATOM 0 HH12 ARG A 19 7.372 -13.308 4.674 1.00 44.32 H new ATOM 0 HH21 ARG A 19 8.625 -11.851 1.719 1.00 32.34 H new ATOM 0 HH22 ARG A 19 8.954 -12.949 3.064 1.00 32.34 H new ATOM 335 N LYS A 20 7.293 -7.770 6.249 1.00 53.24 N ATOM 336 CA LYS A 20 7.745 -8.161 7.597 1.00 63.25 C ATOM 337 C LYS A 20 7.202 -7.191 8.664 1.00 74.33 C ATOM 338 O LYS A 20 6.788 -7.620 9.743 1.00 40.55 O ATOM 339 CB LYS A 20 9.298 -8.248 7.662 1.00 52.43 C ATOM 340 CG LYS A 20 9.899 -9.447 6.897 1.00 34.44 C ATOM 341 CD LYS A 20 9.415 -10.805 7.445 1.00 23.41 C ATOM 342 CE LYS A 20 9.896 -12.010 6.623 1.00 44.30 C ATOM 343 NZ LYS A 20 9.376 -13.279 7.200 1.00 64.00 N ATOM 0 H LYS A 20 8.053 -7.524 5.615 1.00 53.24 H new ATOM 0 HA LYS A 20 7.345 -9.152 7.810 1.00 63.25 H new ATOM 0 HB2 LYS A 20 9.719 -7.327 7.259 1.00 52.43 H new ATOM 0 HB3 LYS A 20 9.604 -8.308 8.707 1.00 52.43 H new ATOM 0 HG2 LYS A 20 9.634 -9.370 5.843 1.00 34.44 H new ATOM 0 HG3 LYS A 20 10.986 -9.403 6.956 1.00 34.44 H new ATOM 0 HD2 LYS A 20 9.761 -10.916 8.473 1.00 23.41 H new ATOM 0 HD3 LYS A 20 8.325 -10.808 7.474 1.00 23.41 H new ATOM 0 HE2 LYS A 20 9.561 -11.910 5.591 1.00 44.30 H new ATOM 0 HE3 LYS A 20 10.986 -12.032 6.604 1.00 44.30 H new ATOM 0 HZ1 LYS A 20 9.712 -14.082 6.631 1.00 64.00 H new ATOM 0 HZ2 LYS A 20 9.716 -13.381 8.177 1.00 64.00 H new ATOM 0 HZ3 LYS A 20 8.336 -13.262 7.195 1.00 64.00 H new ATOM 357 N MET A 21 7.181 -5.890 8.325 1.00 42.04 N ATOM 358 CA MET A 21 6.593 -4.853 9.191 1.00 35.50 C ATOM 359 C MET A 21 5.085 -5.052 9.363 1.00 50.22 C ATOM 360 O MET A 21 4.567 -4.901 10.465 1.00 5.12 O ATOM 361 CB MET A 21 6.879 -3.428 8.641 1.00 43.13 C ATOM 362 CG MET A 21 8.279 -2.912 8.965 1.00 41.05 C ATOM 363 SD MET A 21 8.645 -2.902 10.735 1.00 11.32 S ATOM 364 CE MET A 21 7.252 -1.992 11.408 1.00 61.32 C ATOM 0 H MET A 21 7.567 -5.530 7.452 1.00 42.04 H new ATOM 0 HA MET A 21 7.067 -4.951 10.168 1.00 35.50 H new ATOM 0 HB2 MET A 21 6.745 -3.432 7.559 1.00 43.13 H new ATOM 0 HB3 MET A 21 6.143 -2.736 9.051 1.00 43.13 H new ATOM 0 HG2 MET A 21 9.015 -3.532 8.452 1.00 41.05 H new ATOM 0 HG3 MET A 21 8.386 -1.900 8.573 1.00 41.05 H new ATOM 0 HE1 MET A 21 7.491 -1.653 12.416 1.00 61.32 H new ATOM 0 HE2 MET A 21 7.041 -1.129 10.776 1.00 61.32 H new ATOM 0 HE3 MET A 21 6.376 -2.640 11.441 1.00 61.32 H new ATOM 374 N ALA A 22 4.406 -5.405 8.266 1.00 30.22 N ATOM 375 CA ALA A 22 2.952 -5.624 8.257 1.00 3.25 C ATOM 376 C ALA A 22 2.554 -6.879 9.063 1.00 61.30 C ATOM 377 O ALA A 22 1.509 -6.892 9.709 1.00 54.55 O ATOM 378 CB ALA A 22 2.453 -5.724 6.818 1.00 65.25 C ATOM 0 H ALA A 22 4.848 -5.547 7.358 1.00 30.22 H new ATOM 0 HA ALA A 22 2.479 -4.770 8.742 1.00 3.25 H new ATOM 0 HB1 ALA A 22 1.375 -5.886 6.817 1.00 65.25 H new ATOM 0 HB2 ALA A 22 2.681 -4.799 6.289 1.00 65.25 H new ATOM 0 HB3 ALA A 22 2.946 -6.558 6.319 1.00 65.25 H new ATOM 384 N GLU A 23 3.408 -7.922 9.018 1.00 25.13 N ATOM 385 CA GLU A 23 3.194 -9.183 9.767 1.00 35.21 C ATOM 386 C GLU A 23 3.371 -8.946 11.281 1.00 24.54 C ATOM 387 O GLU A 23 2.603 -9.467 12.098 1.00 71.31 O ATOM 388 CB GLU A 23 4.166 -10.293 9.261 1.00 44.34 C ATOM 389 CG GLU A 23 3.950 -10.717 7.781 1.00 5.42 C ATOM 390 CD GLU A 23 5.013 -11.699 7.226 1.00 35.32 C ATOM 391 OE1 GLU A 23 6.188 -11.646 7.655 1.00 22.23 O ATOM 392 OE2 GLU A 23 4.686 -12.509 6.330 1.00 1.30 O ATOM 0 H GLU A 23 4.264 -7.917 8.464 1.00 25.13 H new ATOM 0 HA GLU A 23 2.173 -9.522 9.591 1.00 35.21 H new ATOM 0 HB2 GLU A 23 5.191 -9.941 9.378 1.00 44.34 H new ATOM 0 HB3 GLU A 23 4.056 -11.172 9.897 1.00 44.34 H new ATOM 0 HG2 GLU A 23 2.967 -11.178 7.689 1.00 5.42 H new ATOM 0 HG3 GLU A 23 3.942 -9.822 7.159 1.00 5.42 H new ATOM 399 N LYS A 24 4.376 -8.126 11.645 1.00 51.33 N ATOM 400 CA LYS A 24 4.657 -7.766 13.053 1.00 22.33 C ATOM 401 C LYS A 24 3.614 -6.761 13.574 1.00 71.12 C ATOM 402 O LYS A 24 3.287 -6.757 14.763 1.00 24.11 O ATOM 403 CB LYS A 24 6.098 -7.206 13.193 1.00 43.12 C ATOM 404 CG LYS A 24 7.195 -8.233 12.824 1.00 34.23 C ATOM 405 CD LYS A 24 8.630 -7.668 12.948 1.00 13.14 C ATOM 406 CE LYS A 24 9.017 -7.318 14.394 1.00 74.24 C ATOM 407 NZ LYS A 24 10.411 -6.807 14.484 1.00 23.41 N ATOM 0 H LYS A 24 5.015 -7.695 10.976 1.00 51.33 H new ATOM 0 HA LYS A 24 4.586 -8.666 13.664 1.00 22.33 H new ATOM 0 HB2 LYS A 24 6.203 -6.329 12.555 1.00 43.12 H new ATOM 0 HB3 LYS A 24 6.252 -6.873 14.219 1.00 43.12 H new ATOM 0 HG2 LYS A 24 7.098 -9.105 13.471 1.00 34.23 H new ATOM 0 HG3 LYS A 24 7.034 -8.575 11.802 1.00 34.23 H new ATOM 0 HD2 LYS A 24 9.337 -8.399 12.556 1.00 13.14 H new ATOM 0 HD3 LYS A 24 8.718 -6.775 12.329 1.00 13.14 H new ATOM 0 HE2 LYS A 24 8.329 -6.568 14.783 1.00 74.24 H new ATOM 0 HE3 LYS A 24 8.913 -8.202 15.023 1.00 74.24 H new ATOM 0 HZ1 LYS A 24 10.635 -6.582 15.474 1.00 23.41 H new ATOM 0 HZ2 LYS A 24 11.070 -7.533 14.136 1.00 23.41 H new ATOM 0 HZ3 LYS A 24 10.504 -5.949 13.904 1.00 23.41 H new ATOM 421 N ALA A 25 3.082 -5.926 12.663 1.00 51.32 N ATOM 422 CA ALA A 25 2.018 -4.955 12.980 1.00 32.14 C ATOM 423 C ALA A 25 0.623 -5.594 12.884 1.00 25.05 C ATOM 424 O ALA A 25 -0.374 -4.931 13.172 1.00 12.05 O ATOM 425 CB ALA A 25 2.126 -3.732 12.050 1.00 12.53 C ATOM 0 H ALA A 25 3.377 -5.905 11.687 1.00 51.32 H new ATOM 0 HA ALA A 25 2.154 -4.628 14.011 1.00 32.14 H new ATOM 0 HB1 ALA A 25 1.336 -3.020 12.291 1.00 12.53 H new ATOM 0 HB2 ALA A 25 3.097 -3.256 12.186 1.00 12.53 H new ATOM 0 HB3 ALA A 25 2.021 -4.053 11.014 1.00 12.53 H new ATOM 431 N ASN A 26 0.581 -6.882 12.452 1.00 65.22 N ATOM 432 CA ASN A 26 -0.652 -7.701 12.320 1.00 21.50 C ATOM 433 C ASN A 26 -1.641 -7.116 11.281 1.00 12.24 C ATOM 434 O ASN A 26 -2.820 -7.488 11.256 1.00 65.41 O ATOM 435 CB ASN A 26 -1.333 -7.933 13.705 1.00 21.54 C ATOM 436 CG ASN A 26 -0.520 -8.827 14.661 1.00 22.03 C ATOM 437 OD1 ASN A 26 0.712 -8.895 14.592 1.00 55.21 O ATOM 438 ND2 ASN A 26 -1.208 -9.506 15.575 1.00 32.41 N ATOM 0 H ASN A 26 1.422 -7.390 12.180 1.00 65.22 H new ATOM 0 HA ASN A 26 -0.346 -8.675 11.938 1.00 21.50 H new ATOM 0 HB2 ASN A 26 -1.501 -6.967 14.182 1.00 21.54 H new ATOM 0 HB3 ASN A 26 -2.312 -8.385 13.546 1.00 21.54 H new ATOM 0 HD21 ASN A 26 -0.719 -10.102 16.243 1.00 32.41 H new ATOM 0 HD22 ASN A 26 -2.225 -9.430 15.608 1.00 32.41 H new ATOM 445 N LEU A 27 -1.130 -6.239 10.400 1.00 23.35 N ATOM 446 CA LEU A 27 -1.906 -5.635 9.300 1.00 1.24 C ATOM 447 C LEU A 27 -1.817 -6.524 8.049 1.00 74.21 C ATOM 448 O LEU A 27 -0.802 -7.196 7.826 1.00 21.42 O ATOM 449 CB LEU A 27 -1.386 -4.204 8.969 1.00 3.32 C ATOM 450 CG LEU A 27 -1.311 -3.190 10.160 1.00 5.24 C ATOM 451 CD1 LEU A 27 -0.928 -1.770 9.672 1.00 24.53 C ATOM 452 CD2 LEU A 27 -2.612 -3.181 10.996 1.00 44.14 C ATOM 0 H LEU A 27 -0.160 -5.926 10.430 1.00 23.35 H new ATOM 0 HA LEU A 27 -2.946 -5.557 9.618 1.00 1.24 H new ATOM 0 HB2 LEU A 27 -0.390 -4.296 8.537 1.00 3.32 H new ATOM 0 HB3 LEU A 27 -2.029 -3.778 8.199 1.00 3.32 H new ATOM 0 HG LEU A 27 -0.515 -3.530 10.823 1.00 5.24 H new ATOM 0 HD11 LEU A 27 -0.885 -1.092 10.524 1.00 24.53 H new ATOM 0 HD12 LEU A 27 0.047 -1.803 9.185 1.00 24.53 H new ATOM 0 HD13 LEU A 27 -1.676 -1.415 8.963 1.00 24.53 H new ATOM 0 HD21 LEU A 27 -2.516 -2.464 11.811 1.00 44.14 H new ATOM 0 HD22 LEU A 27 -3.451 -2.898 10.360 1.00 44.14 H new ATOM 0 HD23 LEU A 27 -2.788 -4.175 11.407 1.00 44.14 H new ATOM 464 N GLU A 28 -2.874 -6.498 7.223 1.00 64.22 N ATOM 465 CA GLU A 28 -2.954 -7.319 6.008 1.00 11.33 C ATOM 466 C GLU A 28 -2.327 -6.575 4.813 1.00 50.45 C ATOM 467 O GLU A 28 -2.844 -5.544 4.370 1.00 70.23 O ATOM 468 CB GLU A 28 -4.431 -7.715 5.729 1.00 50.40 C ATOM 469 CG GLU A 28 -5.055 -8.656 6.777 1.00 71.01 C ATOM 470 CD GLU A 28 -4.355 -10.031 6.846 1.00 34.12 C ATOM 471 OE1 GLU A 28 -4.698 -10.918 6.032 1.00 74.23 O ATOM 472 OE2 GLU A 28 -3.453 -10.223 7.688 1.00 63.40 O ATOM 0 H GLU A 28 -3.693 -5.910 7.378 1.00 64.22 H new ATOM 0 HA GLU A 28 -2.384 -8.236 6.157 1.00 11.33 H new ATOM 0 HB2 GLU A 28 -5.032 -6.807 5.673 1.00 50.40 H new ATOM 0 HB3 GLU A 28 -4.486 -8.195 4.752 1.00 50.40 H new ATOM 0 HG2 GLU A 28 -5.009 -8.181 7.757 1.00 71.01 H new ATOM 0 HG3 GLU A 28 -6.110 -8.803 6.544 1.00 71.01 H new ATOM 479 N LEU A 29 -1.209 -7.124 4.310 1.00 61.20 N ATOM 480 CA LEU A 29 -0.449 -6.555 3.188 1.00 40.52 C ATOM 481 C LEU A 29 -0.669 -7.418 1.943 1.00 63.52 C ATOM 482 O LEU A 29 -0.630 -8.651 2.025 1.00 42.54 O ATOM 483 CB LEU A 29 1.063 -6.444 3.550 1.00 22.41 C ATOM 484 CG LEU A 29 2.042 -5.923 2.411 1.00 54.41 C ATOM 485 CD1 LEU A 29 3.142 -4.993 2.973 1.00 20.11 C ATOM 486 CD2 LEU A 29 2.692 -7.095 1.632 1.00 54.32 C ATOM 0 H LEU A 29 -0.804 -7.985 4.676 1.00 61.20 H new ATOM 0 HA LEU A 29 -0.804 -5.546 2.979 1.00 40.52 H new ATOM 0 HB2 LEU A 29 1.158 -5.779 4.408 1.00 22.41 H new ATOM 0 HB3 LEU A 29 1.408 -7.427 3.869 1.00 22.41 H new ATOM 0 HG LEU A 29 1.426 -5.346 1.721 1.00 54.41 H new ATOM 0 HD11 LEU A 29 3.788 -4.661 2.160 1.00 20.11 H new ATOM 0 HD12 LEU A 29 2.679 -4.127 3.446 1.00 20.11 H new ATOM 0 HD13 LEU A 29 3.735 -5.535 3.709 1.00 20.11 H new ATOM 0 HD21 LEU A 29 3.354 -6.698 0.863 1.00 54.32 H new ATOM 0 HD22 LEU A 29 3.267 -7.715 2.320 1.00 54.32 H new ATOM 0 HD23 LEU A 29 1.913 -7.698 1.165 1.00 54.32 H new ATOM 498 N ARG A 30 -0.901 -6.758 0.794 1.00 53.34 N ATOM 499 CA ARG A 30 -1.062 -7.417 -0.513 1.00 51.30 C ATOM 500 C ARG A 30 0.010 -6.881 -1.467 1.00 74.02 C ATOM 501 O ARG A 30 0.248 -5.665 -1.521 1.00 42.11 O ATOM 502 CB ARG A 30 -2.485 -7.166 -1.094 1.00 74.22 C ATOM 503 CG ARG A 30 -3.640 -7.609 -0.175 1.00 64.43 C ATOM 504 CD ARG A 30 -3.545 -9.093 0.238 1.00 73.42 C ATOM 505 NE ARG A 30 -4.581 -9.455 1.221 1.00 50.34 N ATOM 506 CZ ARG A 30 -4.363 -9.777 2.509 1.00 52.24 C ATOM 507 NH1 ARG A 30 -3.136 -9.789 3.029 1.00 64.34 N ATOM 508 NH2 ARG A 30 -5.390 -10.087 3.278 1.00 14.33 N ATOM 0 H ARG A 30 -0.983 -5.742 0.747 1.00 53.34 H new ATOM 0 HA ARG A 30 -0.945 -8.494 -0.391 1.00 51.30 H new ATOM 0 HB2 ARG A 30 -2.594 -6.102 -1.306 1.00 74.22 H new ATOM 0 HB3 ARG A 30 -2.573 -7.691 -2.045 1.00 74.22 H new ATOM 0 HG2 ARG A 30 -3.644 -6.988 0.721 1.00 64.43 H new ATOM 0 HG3 ARG A 30 -4.588 -7.439 -0.685 1.00 64.43 H new ATOM 0 HD2 ARG A 30 -3.646 -9.723 -0.645 1.00 73.42 H new ATOM 0 HD3 ARG A 30 -2.559 -9.291 0.659 1.00 73.42 H new ATOM 0 HE ARG A 30 -5.548 -9.462 0.897 1.00 50.34 H new ATOM 0 HH11 ARG A 30 -2.333 -9.550 2.447 1.00 64.34 H new ATOM 0 HH12 ARG A 30 -3.000 -10.037 4.009 1.00 64.34 H new ATOM 0 HH21 ARG A 30 -6.335 -10.081 2.894 1.00 14.33 H new ATOM 0 HH22 ARG A 30 -5.239 -10.333 4.256 1.00 14.33 H new ATOM 522 N THR A 31 0.652 -7.795 -2.200 1.00 54.34 N ATOM 523 CA THR A 31 1.734 -7.463 -3.127 1.00 50.33 C ATOM 524 C THR A 31 1.161 -7.104 -4.512 1.00 70.10 C ATOM 525 O THR A 31 0.584 -7.952 -5.211 1.00 25.02 O ATOM 526 CB THR A 31 2.741 -8.658 -3.211 1.00 21.21 C ATOM 527 OG1 THR A 31 2.049 -9.873 -3.548 1.00 34.02 O ATOM 528 CG2 THR A 31 3.471 -8.860 -1.869 1.00 12.41 C ATOM 0 H THR A 31 0.434 -8.791 -2.166 1.00 54.34 H new ATOM 0 HA THR A 31 2.273 -6.590 -2.760 1.00 50.33 H new ATOM 0 HB THR A 31 3.471 -8.420 -3.985 1.00 21.21 H new ATOM 0 HG1 THR A 31 1.320 -9.672 -4.171 1.00 34.02 H new ATOM 0 HG21 THR A 31 4.165 -9.696 -1.954 1.00 12.41 H new ATOM 0 HG22 THR A 31 4.023 -7.955 -1.615 1.00 12.41 H new ATOM 0 HG23 THR A 31 2.742 -9.072 -1.087 1.00 12.41 H new ATOM 536 N VAL A 32 1.322 -5.829 -4.878 1.00 2.24 N ATOM 537 CA VAL A 32 0.828 -5.258 -6.135 1.00 31.42 C ATOM 538 C VAL A 32 1.926 -5.366 -7.212 1.00 12.12 C ATOM 539 O VAL A 32 3.057 -4.896 -7.012 1.00 11.23 O ATOM 540 CB VAL A 32 0.414 -3.755 -5.938 1.00 3.23 C ATOM 541 CG1 VAL A 32 -0.201 -3.154 -7.218 1.00 10.11 C ATOM 542 CG2 VAL A 32 -0.534 -3.597 -4.730 1.00 10.42 C ATOM 0 H VAL A 32 1.811 -5.149 -4.295 1.00 2.24 H new ATOM 0 HA VAL A 32 -0.053 -5.815 -6.454 1.00 31.42 H new ATOM 0 HB VAL A 32 1.323 -3.192 -5.728 1.00 3.23 H new ATOM 0 HG11 VAL A 32 -0.473 -2.114 -7.037 1.00 10.11 H new ATOM 0 HG12 VAL A 32 0.526 -3.204 -8.029 1.00 10.11 H new ATOM 0 HG13 VAL A 32 -1.091 -3.719 -7.494 1.00 10.11 H new ATOM 0 HG21 VAL A 32 -0.806 -2.548 -4.615 1.00 10.42 H new ATOM 0 HG22 VAL A 32 -1.434 -4.189 -4.894 1.00 10.42 H new ATOM 0 HG23 VAL A 32 -0.032 -3.943 -3.826 1.00 10.42 H new ATOM 552 N LYS A 33 1.572 -5.994 -8.338 1.00 44.25 N ATOM 553 CA LYS A 33 2.492 -6.254 -9.460 1.00 42.23 C ATOM 554 C LYS A 33 2.384 -5.113 -10.493 1.00 42.15 C ATOM 555 O LYS A 33 3.393 -4.551 -10.938 1.00 35.04 O ATOM 556 CB LYS A 33 2.118 -7.629 -10.097 1.00 73.41 C ATOM 557 CG LYS A 33 1.905 -8.773 -9.065 1.00 63.22 C ATOM 558 CD LYS A 33 1.288 -10.048 -9.694 1.00 73.15 C ATOM 559 CE LYS A 33 0.988 -11.142 -8.649 1.00 13.53 C ATOM 560 NZ LYS A 33 0.033 -10.678 -7.602 1.00 42.21 N ATOM 0 H LYS A 33 0.627 -6.342 -8.502 1.00 44.25 H new ATOM 0 HA LYS A 33 3.524 -6.293 -9.110 1.00 42.23 H new ATOM 0 HB2 LYS A 33 1.207 -7.509 -10.683 1.00 73.41 H new ATOM 0 HB3 LYS A 33 2.907 -7.922 -10.790 1.00 73.41 H new ATOM 0 HG2 LYS A 33 2.862 -9.026 -8.609 1.00 63.22 H new ATOM 0 HG3 LYS A 33 1.255 -8.418 -8.266 1.00 63.22 H new ATOM 0 HD2 LYS A 33 0.366 -9.783 -10.212 1.00 73.15 H new ATOM 0 HD3 LYS A 33 1.972 -10.446 -10.444 1.00 73.15 H new ATOM 0 HE2 LYS A 33 0.576 -12.018 -9.151 1.00 13.53 H new ATOM 0 HE3 LYS A 33 1.919 -11.454 -8.176 1.00 13.53 H new ATOM 0 HZ1 LYS A 33 -0.385 -11.502 -7.124 1.00 42.21 H new ATOM 0 HZ2 LYS A 33 0.538 -10.093 -6.906 1.00 42.21 H new ATOM 0 HZ3 LYS A 33 -0.721 -10.115 -8.045 1.00 42.21 H new ATOM 574 N THR A 34 1.129 -4.783 -10.855 1.00 1.23 N ATOM 575 CA THR A 34 0.786 -3.754 -11.860 1.00 41.30 C ATOM 576 C THR A 34 -0.358 -2.861 -11.340 1.00 63.11 C ATOM 577 O THR A 34 -0.899 -3.093 -10.251 1.00 43.52 O ATOM 578 CB THR A 34 0.340 -4.424 -13.201 1.00 54.43 C ATOM 579 OG1 THR A 34 -0.737 -5.341 -12.935 1.00 73.33 O ATOM 580 CG2 THR A 34 1.491 -5.165 -13.907 1.00 21.25 C ATOM 0 H THR A 34 0.308 -5.232 -10.450 1.00 1.23 H new ATOM 0 HA THR A 34 1.673 -3.146 -12.038 1.00 41.30 H new ATOM 0 HB THR A 34 0.013 -3.630 -13.873 1.00 54.43 H new ATOM 0 HG1 THR A 34 -1.022 -5.763 -13.772 1.00 73.33 H new ATOM 0 HG21 THR A 34 1.124 -5.610 -14.832 1.00 21.25 H new ATOM 0 HG22 THR A 34 2.291 -4.461 -14.136 1.00 21.25 H new ATOM 0 HG23 THR A 34 1.874 -5.949 -13.254 1.00 21.25 H new ATOM 588 N GLU A 35 -0.725 -1.843 -12.135 1.00 11.03 N ATOM 589 CA GLU A 35 -1.855 -0.944 -11.827 1.00 33.42 C ATOM 590 C GLU A 35 -3.192 -1.720 -11.785 1.00 13.12 C ATOM 591 O GLU A 35 -4.071 -1.391 -10.991 1.00 21.32 O ATOM 592 CB GLU A 35 -1.947 0.206 -12.864 1.00 53.10 C ATOM 593 CG GLU A 35 -2.124 -0.268 -14.325 1.00 44.20 C ATOM 594 CD GLU A 35 -2.439 0.874 -15.294 1.00 44.43 C ATOM 595 OE1 GLU A 35 -3.556 1.422 -15.213 1.00 3.11 O ATOM 596 OE2 GLU A 35 -1.590 1.227 -16.146 1.00 22.41 O ATOM 0 H GLU A 35 -0.249 -1.618 -13.009 1.00 11.03 H new ATOM 0 HA GLU A 35 -1.671 -0.516 -10.842 1.00 33.42 H new ATOM 0 HB2 GLU A 35 -2.784 0.852 -12.600 1.00 53.10 H new ATOM 0 HB3 GLU A 35 -1.044 0.812 -12.798 1.00 53.10 H new ATOM 0 HG2 GLU A 35 -1.213 -0.771 -14.650 1.00 44.20 H new ATOM 0 HG3 GLU A 35 -2.927 -1.004 -14.367 1.00 44.20 H new ATOM 603 N ASP A 36 -3.318 -2.760 -12.638 1.00 52.20 N ATOM 604 CA ASP A 36 -4.524 -3.619 -12.706 1.00 41.24 C ATOM 605 C ASP A 36 -4.709 -4.415 -11.399 1.00 71.20 C ATOM 606 O ASP A 36 -5.840 -4.659 -10.958 1.00 43.52 O ATOM 607 CB ASP A 36 -4.435 -4.561 -13.935 1.00 70.53 C ATOM 608 CG ASP A 36 -5.730 -5.356 -14.189 1.00 11.14 C ATOM 609 OD1 ASP A 36 -6.700 -4.775 -14.728 1.00 52.34 O ATOM 610 OD2 ASP A 36 -5.791 -6.560 -13.852 1.00 0.21 O ATOM 0 H ASP A 36 -2.589 -3.029 -13.298 1.00 52.20 H new ATOM 0 HA ASP A 36 -5.401 -2.983 -12.824 1.00 41.24 H new ATOM 0 HB2 ASP A 36 -4.200 -3.970 -14.820 1.00 70.53 H new ATOM 0 HB3 ASP A 36 -3.611 -5.259 -13.790 1.00 70.53 H new ATOM 615 N GLU A 37 -3.574 -4.780 -10.773 1.00 3.33 N ATOM 616 CA GLU A 37 -3.555 -5.414 -9.447 1.00 3.13 C ATOM 617 C GLU A 37 -4.018 -4.427 -8.365 1.00 0.02 C ATOM 618 O GLU A 37 -4.784 -4.795 -7.476 1.00 33.12 O ATOM 619 CB GLU A 37 -2.135 -5.933 -9.122 1.00 71.53 C ATOM 620 CG GLU A 37 -1.652 -7.069 -10.035 1.00 44.42 C ATOM 621 CD GLU A 37 -2.413 -8.389 -9.817 1.00 23.32 C ATOM 622 OE1 GLU A 37 -2.078 -9.116 -8.857 1.00 24.25 O ATOM 623 OE2 GLU A 37 -3.327 -8.716 -10.610 1.00 71.15 O ATOM 0 H GLU A 37 -2.647 -4.642 -11.175 1.00 3.33 H new ATOM 0 HA GLU A 37 -4.245 -6.258 -9.461 1.00 3.13 H new ATOM 0 HB2 GLU A 37 -1.433 -5.103 -9.193 1.00 71.53 H new ATOM 0 HB3 GLU A 37 -2.115 -6.280 -8.089 1.00 71.53 H new ATOM 0 HG2 GLU A 37 -1.762 -6.762 -11.075 1.00 44.42 H new ATOM 0 HG3 GLU A 37 -0.589 -7.238 -9.863 1.00 44.42 H new ATOM 630 N LEU A 38 -3.560 -3.168 -8.485 1.00 5.23 N ATOM 631 CA LEU A 38 -3.892 -2.077 -7.546 1.00 51.44 C ATOM 632 C LEU A 38 -5.431 -1.876 -7.511 1.00 34.22 C ATOM 633 O LEU A 38 -6.044 -1.862 -6.437 1.00 33.42 O ATOM 634 CB LEU A 38 -3.128 -0.779 -7.996 1.00 20.20 C ATOM 635 CG LEU A 38 -2.915 0.364 -6.940 1.00 42.10 C ATOM 636 CD1 LEU A 38 -4.207 1.146 -6.618 1.00 31.10 C ATOM 637 CD2 LEU A 38 -2.265 -0.190 -5.654 1.00 71.45 C ATOM 0 H LEU A 38 -2.943 -2.875 -9.243 1.00 5.23 H new ATOM 0 HA LEU A 38 -3.576 -2.321 -6.532 1.00 51.44 H new ATOM 0 HB2 LEU A 38 -2.147 -1.081 -8.362 1.00 20.20 H new ATOM 0 HB3 LEU A 38 -3.666 -0.353 -8.843 1.00 20.20 H new ATOM 0 HG LEU A 38 -2.233 1.082 -7.397 1.00 42.10 H new ATOM 0 HD11 LEU A 38 -3.990 1.920 -5.882 1.00 31.10 H new ATOM 0 HD12 LEU A 38 -4.589 1.607 -7.528 1.00 31.10 H new ATOM 0 HD13 LEU A 38 -4.955 0.463 -6.216 1.00 31.10 H new ATOM 0 HD21 LEU A 38 -2.127 0.620 -4.938 1.00 71.45 H new ATOM 0 HD22 LEU A 38 -2.911 -0.953 -5.219 1.00 71.45 H new ATOM 0 HD23 LEU A 38 -1.297 -0.629 -5.896 1.00 71.45 H new ATOM 649 N LYS A 39 -6.022 -1.816 -8.722 1.00 41.52 N ATOM 650 CA LYS A 39 -7.479 -1.698 -8.944 1.00 0.32 C ATOM 651 C LYS A 39 -8.238 -2.892 -8.325 1.00 3.22 C ATOM 652 O LYS A 39 -9.276 -2.714 -7.682 1.00 74.25 O ATOM 653 CB LYS A 39 -7.761 -1.646 -10.474 1.00 42.01 C ATOM 654 CG LYS A 39 -7.144 -0.428 -11.205 1.00 31.31 C ATOM 655 CD LYS A 39 -6.999 -0.640 -12.737 1.00 44.53 C ATOM 656 CE LYS A 39 -8.340 -0.806 -13.475 1.00 45.10 C ATOM 657 NZ LYS A 39 -9.089 0.475 -13.559 1.00 64.42 N ATOM 0 H LYS A 39 -5.489 -1.849 -9.591 1.00 41.52 H new ATOM 0 HA LYS A 39 -7.828 -0.784 -8.463 1.00 0.32 H new ATOM 0 HB2 LYS A 39 -7.379 -2.559 -10.931 1.00 42.01 H new ATOM 0 HB3 LYS A 39 -8.840 -1.638 -10.631 1.00 42.01 H new ATOM 0 HG2 LYS A 39 -7.766 0.449 -11.024 1.00 31.31 H new ATOM 0 HG3 LYS A 39 -6.163 -0.217 -10.780 1.00 31.31 H new ATOM 0 HD2 LYS A 39 -6.465 0.210 -13.162 1.00 44.53 H new ATOM 0 HD3 LYS A 39 -6.386 -1.524 -12.915 1.00 44.53 H new ATOM 0 HE2 LYS A 39 -8.157 -1.186 -14.480 1.00 45.10 H new ATOM 0 HE3 LYS A 39 -8.948 -1.549 -12.960 1.00 45.10 H new ATOM 0 HZ1 LYS A 39 -9.986 0.321 -14.063 1.00 64.42 H new ATOM 0 HZ2 LYS A 39 -9.287 0.825 -12.600 1.00 64.42 H new ATOM 0 HZ3 LYS A 39 -8.520 1.177 -14.073 1.00 64.42 H new ATOM 671 N LYS A 40 -7.674 -4.098 -8.526 1.00 71.44 N ATOM 672 CA LYS A 40 -8.254 -5.375 -8.068 1.00 11.42 C ATOM 673 C LYS A 40 -8.404 -5.411 -6.539 1.00 25.33 C ATOM 674 O LYS A 40 -9.461 -5.789 -6.012 1.00 45.12 O ATOM 675 CB LYS A 40 -7.356 -6.540 -8.552 1.00 24.21 C ATOM 676 CG LYS A 40 -7.789 -7.947 -8.090 1.00 74.03 C ATOM 677 CD LYS A 40 -6.815 -9.048 -8.558 1.00 72.41 C ATOM 678 CE LYS A 40 -6.730 -9.174 -10.092 1.00 10.45 C ATOM 679 NZ LYS A 40 -5.795 -10.262 -10.508 1.00 73.03 N ATOM 0 H LYS A 40 -6.789 -4.214 -9.019 1.00 71.44 H new ATOM 0 HA LYS A 40 -9.253 -5.477 -8.492 1.00 11.42 H new ATOM 0 HB2 LYS A 40 -7.329 -6.527 -9.642 1.00 24.21 H new ATOM 0 HB3 LYS A 40 -6.338 -6.360 -8.205 1.00 24.21 H new ATOM 0 HG2 LYS A 40 -7.856 -7.964 -7.002 1.00 74.03 H new ATOM 0 HG3 LYS A 40 -8.786 -8.161 -8.474 1.00 74.03 H new ATOM 0 HD2 LYS A 40 -5.822 -8.837 -8.162 1.00 72.41 H new ATOM 0 HD3 LYS A 40 -7.129 -10.004 -8.139 1.00 72.41 H new ATOM 0 HE2 LYS A 40 -7.723 -9.374 -10.496 1.00 10.45 H new ATOM 0 HE3 LYS A 40 -6.398 -8.227 -10.517 1.00 10.45 H new ATOM 0 HZ1 LYS A 40 -6.091 -10.640 -11.431 1.00 73.03 H new ATOM 0 HZ2 LYS A 40 -4.830 -9.881 -10.583 1.00 73.03 H new ATOM 0 HZ3 LYS A 40 -5.812 -11.024 -9.800 1.00 73.03 H new ATOM 693 N TYR A 41 -7.336 -4.990 -5.843 1.00 21.02 N ATOM 694 CA TYR A 41 -7.303 -4.984 -4.374 1.00 53.44 C ATOM 695 C TYR A 41 -8.276 -3.934 -3.817 1.00 31.01 C ATOM 696 O TYR A 41 -8.926 -4.172 -2.800 1.00 55.31 O ATOM 697 CB TYR A 41 -5.858 -4.768 -3.856 1.00 11.55 C ATOM 698 CG TYR A 41 -4.877 -5.882 -4.287 1.00 41.02 C ATOM 699 CD1 TYR A 41 -5.228 -7.237 -4.187 1.00 13.24 C ATOM 700 CD2 TYR A 41 -3.625 -5.583 -4.827 1.00 24.21 C ATOM 701 CE1 TYR A 41 -4.361 -8.235 -4.601 1.00 13.30 C ATOM 702 CE2 TYR A 41 -2.757 -6.583 -5.236 1.00 70.51 C ATOM 703 CZ TYR A 41 -3.135 -7.902 -5.132 1.00 33.05 C ATOM 704 OH TYR A 41 -2.277 -8.898 -5.564 1.00 73.22 O ATOM 0 H TYR A 41 -6.480 -4.648 -6.279 1.00 21.02 H new ATOM 0 HA TYR A 41 -7.632 -5.959 -4.013 1.00 53.44 H new ATOM 0 HB2 TYR A 41 -5.489 -3.809 -4.220 1.00 11.55 H new ATOM 0 HB3 TYR A 41 -5.875 -4.711 -2.768 1.00 11.55 H new ATOM 0 HD1 TYR A 41 -6.191 -7.507 -3.780 1.00 13.24 H new ATOM 0 HD2 TYR A 41 -3.326 -4.550 -4.928 1.00 24.21 H new ATOM 0 HE1 TYR A 41 -4.646 -9.272 -4.507 1.00 13.30 H new ATOM 0 HE2 TYR A 41 -1.787 -6.328 -5.635 1.00 70.51 H new ATOM 0 HH TYR A 41 -1.350 -8.601 -5.455 1.00 73.22 H new ATOM 714 N LEU A 42 -8.391 -2.788 -4.521 1.00 55.55 N ATOM 715 CA LEU A 42 -9.383 -1.738 -4.193 1.00 12.21 C ATOM 716 C LEU A 42 -10.844 -2.262 -4.306 1.00 44.30 C ATOM 717 O LEU A 42 -11.687 -1.913 -3.482 1.00 52.11 O ATOM 718 CB LEU A 42 -9.190 -0.492 -5.095 1.00 60.00 C ATOM 719 CG LEU A 42 -7.849 0.293 -4.931 1.00 43.15 C ATOM 720 CD1 LEU A 42 -7.752 1.429 -5.972 1.00 52.43 C ATOM 721 CD2 LEU A 42 -7.666 0.829 -3.491 1.00 51.12 C ATOM 0 H LEU A 42 -7.806 -2.564 -5.326 1.00 55.55 H new ATOM 0 HA LEU A 42 -9.212 -1.452 -3.155 1.00 12.21 H new ATOM 0 HB2 LEU A 42 -9.274 -0.808 -6.135 1.00 60.00 H new ATOM 0 HB3 LEU A 42 -10.013 0.197 -4.904 1.00 60.00 H new ATOM 0 HG LEU A 42 -7.033 -0.406 -5.113 1.00 43.15 H new ATOM 0 HD11 LEU A 42 -6.811 1.963 -5.841 1.00 52.43 H new ATOM 0 HD12 LEU A 42 -7.793 1.007 -6.976 1.00 52.43 H new ATOM 0 HD13 LEU A 42 -8.584 2.120 -5.835 1.00 52.43 H new ATOM 0 HD21 LEU A 42 -6.721 1.368 -3.421 1.00 51.12 H new ATOM 0 HD22 LEU A 42 -8.487 1.503 -3.246 1.00 51.12 H new ATOM 0 HD23 LEU A 42 -7.660 -0.006 -2.790 1.00 51.12 H new ATOM 733 N GLU A 43 -11.126 -3.107 -5.321 1.00 41.42 N ATOM 734 CA GLU A 43 -12.458 -3.753 -5.495 1.00 54.00 C ATOM 735 C GLU A 43 -12.798 -4.648 -4.286 1.00 14.30 C ATOM 736 O GLU A 43 -13.952 -4.695 -3.843 1.00 42.32 O ATOM 737 CB GLU A 43 -12.509 -4.573 -6.809 1.00 70.23 C ATOM 738 CG GLU A 43 -12.437 -3.725 -8.092 1.00 1.54 C ATOM 739 CD GLU A 43 -12.282 -4.563 -9.373 1.00 42.54 C ATOM 740 OE1 GLU A 43 -11.223 -5.194 -9.545 1.00 32.54 O ATOM 741 OE2 GLU A 43 -13.200 -4.580 -10.223 1.00 51.31 O ATOM 0 H GLU A 43 -10.449 -3.363 -6.040 1.00 41.42 H new ATOM 0 HA GLU A 43 -13.206 -2.963 -5.557 1.00 54.00 H new ATOM 0 HB2 GLU A 43 -11.683 -5.284 -6.811 1.00 70.23 H new ATOM 0 HB3 GLU A 43 -13.431 -5.155 -6.824 1.00 70.23 H new ATOM 0 HG2 GLU A 43 -13.341 -3.120 -8.170 1.00 1.54 H new ATOM 0 HG3 GLU A 43 -11.597 -3.034 -8.015 1.00 1.54 H new ATOM 748 N GLU A 44 -11.770 -5.320 -3.744 1.00 73.03 N ATOM 749 CA GLU A 44 -11.900 -6.107 -2.504 1.00 24.43 C ATOM 750 C GLU A 44 -12.221 -5.183 -1.316 1.00 42.30 C ATOM 751 O GLU A 44 -13.073 -5.501 -0.498 1.00 12.04 O ATOM 752 CB GLU A 44 -10.605 -6.922 -2.229 1.00 23.12 C ATOM 753 CG GLU A 44 -10.334 -8.034 -3.259 1.00 10.11 C ATOM 754 CD GLU A 44 -11.400 -9.150 -3.243 1.00 33.12 C ATOM 755 OE1 GLU A 44 -11.376 -9.991 -2.315 1.00 44.03 O ATOM 756 OE2 GLU A 44 -12.270 -9.195 -4.144 1.00 71.51 O ATOM 0 H GLU A 44 -10.833 -5.335 -4.147 1.00 73.03 H new ATOM 0 HA GLU A 44 -12.723 -6.811 -2.629 1.00 24.43 H new ATOM 0 HB2 GLU A 44 -9.755 -6.240 -2.214 1.00 23.12 H new ATOM 0 HB3 GLU A 44 -10.673 -7.369 -1.237 1.00 23.12 H new ATOM 0 HG2 GLU A 44 -10.292 -7.595 -4.256 1.00 10.11 H new ATOM 0 HG3 GLU A 44 -9.356 -8.472 -3.062 1.00 10.11 H new ATOM 763 N PHE A 45 -11.536 -4.025 -1.262 1.00 4.12 N ATOM 764 CA PHE A 45 -11.716 -3.015 -0.190 1.00 43.32 C ATOM 765 C PHE A 45 -13.048 -2.226 -0.318 1.00 21.40 C ATOM 766 O PHE A 45 -13.460 -1.547 0.629 1.00 42.31 O ATOM 767 CB PHE A 45 -10.505 -2.039 -0.174 1.00 0.24 C ATOM 768 CG PHE A 45 -9.126 -2.709 -0.028 1.00 72.45 C ATOM 769 CD1 PHE A 45 -8.957 -3.886 0.713 1.00 62.43 C ATOM 770 CD2 PHE A 45 -7.997 -2.158 -0.639 1.00 12.22 C ATOM 771 CE1 PHE A 45 -7.714 -4.488 0.818 1.00 3.00 C ATOM 772 CE2 PHE A 45 -6.758 -2.767 -0.530 1.00 70.21 C ATOM 773 CZ PHE A 45 -6.617 -3.926 0.204 1.00 2.21 C ATOM 0 H PHE A 45 -10.840 -3.759 -1.959 1.00 4.12 H new ATOM 0 HA PHE A 45 -11.766 -3.556 0.755 1.00 43.32 H new ATOM 0 HB2 PHE A 45 -10.514 -1.459 -1.097 1.00 0.24 H new ATOM 0 HB3 PHE A 45 -10.638 -1.334 0.647 1.00 0.24 H new ATOM 0 HD1 PHE A 45 -9.807 -4.330 1.209 1.00 62.43 H new ATOM 0 HD2 PHE A 45 -8.092 -1.243 -1.205 1.00 12.22 H new ATOM 0 HE1 PHE A 45 -7.605 -5.402 1.384 1.00 3.00 H new ATOM 0 HE2 PHE A 45 -5.900 -2.333 -1.021 1.00 70.21 H new ATOM 0 HZ PHE A 45 -5.647 -4.392 0.297 1.00 2.21 H new ATOM 783 N ARG A 46 -13.697 -2.310 -1.498 1.00 61.23 N ATOM 784 CA ARG A 46 -15.026 -1.694 -1.751 1.00 65.44 C ATOM 785 C ARG A 46 -16.130 -2.416 -0.959 1.00 41.32 C ATOM 786 O ARG A 46 -16.872 -1.789 -0.193 1.00 20.41 O ATOM 787 CB ARG A 46 -15.371 -1.720 -3.270 1.00 32.03 C ATOM 788 CG ARG A 46 -14.750 -0.586 -4.111 1.00 21.13 C ATOM 789 CD ARG A 46 -15.096 -0.727 -5.610 1.00 22.31 C ATOM 790 NE ARG A 46 -16.506 -1.123 -5.850 1.00 61.23 N ATOM 791 CZ ARG A 46 -17.549 -0.291 -6.030 1.00 12.15 C ATOM 792 NH1 ARG A 46 -17.395 1.024 -6.017 1.00 22.13 N ATOM 793 NH2 ARG A 46 -18.753 -0.799 -6.222 1.00 54.51 N ATOM 0 H ARG A 46 -13.319 -2.806 -2.305 1.00 61.23 H new ATOM 0 HA ARG A 46 -14.974 -0.658 -1.417 1.00 65.44 H new ATOM 0 HB2 ARG A 46 -15.045 -2.675 -3.683 1.00 32.03 H new ATOM 0 HB3 ARG A 46 -16.455 -1.678 -3.380 1.00 32.03 H new ATOM 0 HG2 ARG A 46 -15.108 0.376 -3.744 1.00 21.13 H new ATOM 0 HG3 ARG A 46 -13.667 -0.592 -3.986 1.00 21.13 H new ATOM 0 HD2 ARG A 46 -14.901 0.221 -6.112 1.00 22.31 H new ATOM 0 HD3 ARG A 46 -14.436 -1.468 -6.061 1.00 22.31 H new ATOM 0 HE ARG A 46 -16.704 -2.123 -5.882 1.00 61.23 H new ATOM 0 HH11 ARG A 46 -16.470 1.428 -5.868 1.00 22.13 H new ATOM 0 HH12 ARG A 46 -18.201 1.633 -6.156 1.00 22.13 H new ATOM 0 HH21 ARG A 46 -18.884 -1.810 -6.233 1.00 54.51 H new ATOM 0 HH22 ARG A 46 -19.552 -0.180 -6.360 1.00 54.51 H new ATOM 807 N LYS A 47 -16.207 -3.746 -1.132 1.00 22.02 N ATOM 808 CA LYS A 47 -17.284 -4.584 -0.541 1.00 33.35 C ATOM 809 C LYS A 47 -17.210 -4.646 1.007 1.00 21.22 C ATOM 810 O LYS A 47 -18.120 -5.173 1.663 1.00 3.34 O ATOM 811 CB LYS A 47 -17.235 -6.017 -1.151 1.00 53.31 C ATOM 812 CG LYS A 47 -15.957 -6.827 -0.812 1.00 22.42 C ATOM 813 CD LYS A 47 -15.806 -8.114 -1.663 1.00 43.10 C ATOM 814 CE LYS A 47 -14.591 -8.965 -1.242 1.00 14.34 C ATOM 815 NZ LYS A 47 -14.369 -10.128 -2.157 1.00 23.04 N ATOM 0 H LYS A 47 -15.531 -4.276 -1.682 1.00 22.02 H new ATOM 0 HA LYS A 47 -18.236 -4.115 -0.789 1.00 33.35 H new ATOM 0 HB2 LYS A 47 -18.104 -6.575 -0.802 1.00 53.31 H new ATOM 0 HB3 LYS A 47 -17.321 -5.938 -2.235 1.00 53.31 H new ATOM 0 HG2 LYS A 47 -15.083 -6.194 -0.964 1.00 22.42 H new ATOM 0 HG3 LYS A 47 -15.975 -7.097 0.244 1.00 22.42 H new ATOM 0 HD2 LYS A 47 -16.713 -8.713 -1.573 1.00 43.10 H new ATOM 0 HD3 LYS A 47 -15.707 -7.841 -2.714 1.00 43.10 H new ATOM 0 HE2 LYS A 47 -13.699 -8.339 -1.230 1.00 14.34 H new ATOM 0 HE3 LYS A 47 -14.739 -9.328 -0.225 1.00 14.34 H new ATOM 0 HZ1 LYS A 47 -13.376 -10.433 -2.097 1.00 23.04 H new ATOM 0 HZ2 LYS A 47 -14.990 -10.914 -1.877 1.00 23.04 H new ATOM 0 HZ3 LYS A 47 -14.586 -9.847 -3.135 1.00 23.04 H new ATOM 829 N GLU A 48 -16.123 -4.094 1.567 1.00 54.03 N ATOM 830 CA GLU A 48 -15.858 -4.075 3.010 1.00 51.22 C ATOM 831 C GLU A 48 -15.385 -2.674 3.439 1.00 23.24 C ATOM 832 O GLU A 48 -14.612 -2.547 4.394 1.00 64.41 O ATOM 833 CB GLU A 48 -14.770 -5.137 3.325 1.00 61.50 C ATOM 834 CG GLU A 48 -13.448 -4.891 2.568 1.00 33.14 C ATOM 835 CD GLU A 48 -12.372 -5.937 2.845 1.00 31.40 C ATOM 836 OE1 GLU A 48 -12.456 -7.051 2.288 1.00 62.13 O ATOM 837 OE2 GLU A 48 -11.452 -5.661 3.636 1.00 41.33 O ATOM 0 H GLU A 48 -15.392 -3.641 1.019 1.00 54.03 H new ATOM 0 HA GLU A 48 -16.768 -4.309 3.562 1.00 51.22 H new ATOM 0 HB2 GLU A 48 -14.573 -5.140 4.397 1.00 61.50 H new ATOM 0 HB3 GLU A 48 -15.150 -6.126 3.068 1.00 61.50 H new ATOM 0 HG2 GLU A 48 -13.652 -4.869 1.498 1.00 33.14 H new ATOM 0 HG3 GLU A 48 -13.063 -3.908 2.839 1.00 33.14 H new ATOM 844 N SER A 49 -15.863 -1.617 2.743 1.00 31.43 N ATOM 845 CA SER A 49 -15.483 -0.215 3.047 1.00 10.15 C ATOM 846 C SER A 49 -16.204 0.318 4.317 1.00 10.24 C ATOM 847 O SER A 49 -16.909 1.336 4.284 1.00 70.23 O ATOM 848 CB SER A 49 -15.735 0.686 1.806 1.00 72.44 C ATOM 849 OG SER A 49 -17.076 0.589 1.347 1.00 61.52 O ATOM 0 H SER A 49 -16.515 -1.708 1.964 1.00 31.43 H new ATOM 0 HA SER A 49 -14.417 -0.188 3.272 1.00 10.15 H new ATOM 0 HB2 SER A 49 -15.511 1.723 2.058 1.00 72.44 H new ATOM 0 HB3 SER A 49 -15.055 0.399 1.004 1.00 72.44 H new ATOM 0 HG SER A 49 -17.168 -0.197 0.769 1.00 61.52 H new ATOM 855 N GLN A 50 -15.959 -0.366 5.446 1.00 74.33 N ATOM 856 CA GLN A 50 -16.626 -0.124 6.737 1.00 23.44 C ATOM 857 C GLN A 50 -15.560 0.304 7.767 1.00 53.14 C ATOM 858 O GLN A 50 -15.027 -0.535 8.509 1.00 52.45 O ATOM 859 CB GLN A 50 -17.366 -1.423 7.198 1.00 43.13 C ATOM 860 CG GLN A 50 -18.371 -2.009 6.174 1.00 45.44 C ATOM 861 CD GLN A 50 -19.003 -3.356 6.590 1.00 41.45 C ATOM 862 OE1 GLN A 50 -18.252 -4.198 7.303 1.00 51.04 O flip ATOM 863 NE2 GLN A 50 -20.147 -3.648 6.242 1.00 25.23 N flip ATOM 0 H GLN A 50 -15.275 -1.121 5.488 1.00 74.33 H new ATOM 0 HA GLN A 50 -17.368 0.669 6.642 1.00 23.44 H new ATOM 0 HB2 GLN A 50 -16.621 -2.184 7.428 1.00 43.13 H new ATOM 0 HB3 GLN A 50 -17.899 -1.209 8.124 1.00 43.13 H new ATOM 0 HG2 GLN A 50 -19.168 -1.284 6.012 1.00 45.44 H new ATOM 0 HG3 GLN A 50 -17.861 -2.141 5.220 1.00 45.44 H new ATOM 0 HE21 GLN A 50 -20.699 -2.985 5.697 1.00 25.23 H new ATOM 0 HE22 GLN A 50 -20.543 -4.552 6.498 1.00 25.23 H new ATOM 872 N ASN A 51 -15.237 1.613 7.773 1.00 72.42 N ATOM 873 CA ASN A 51 -14.086 2.177 8.514 1.00 13.44 C ATOM 874 C ASN A 51 -12.787 1.488 8.063 1.00 13.50 C ATOM 875 O ASN A 51 -12.223 0.641 8.773 1.00 43.13 O ATOM 876 CB ASN A 51 -14.271 2.126 10.065 1.00 13.23 C ATOM 877 CG ASN A 51 -15.229 3.188 10.618 1.00 15.40 C ATOM 878 OD1 ASN A 51 -16.175 3.615 9.953 1.00 42.45 O ATOM 879 ND2 ASN A 51 -14.992 3.611 11.849 1.00 44.24 N ATOM 0 H ASN A 51 -15.770 2.315 7.261 1.00 72.42 H new ATOM 0 HA ASN A 51 -14.023 3.237 8.269 1.00 13.44 H new ATOM 0 HB2 ASN A 51 -14.640 1.139 10.344 1.00 13.23 H new ATOM 0 HB3 ASN A 51 -13.298 2.248 10.540 1.00 13.23 H new ATOM 0 HD21 ASN A 51 -15.601 4.310 12.274 1.00 44.24 H new ATOM 0 HD22 ASN A 51 -14.201 3.238 12.373 1.00 44.24 H new ATOM 886 N ILE A 52 -12.359 1.832 6.843 1.00 73.12 N ATOM 887 CA ILE A 52 -11.177 1.242 6.205 1.00 64.21 C ATOM 888 C ILE A 52 -10.215 2.350 5.754 1.00 61.44 C ATOM 889 O ILE A 52 -10.641 3.434 5.329 1.00 72.23 O ATOM 890 CB ILE A 52 -11.590 0.325 4.988 1.00 51.42 C ATOM 891 CG1 ILE A 52 -10.381 -0.511 4.454 1.00 12.53 C ATOM 892 CG2 ILE A 52 -12.239 1.146 3.843 1.00 42.01 C ATOM 893 CD1 ILE A 52 -10.753 -1.591 3.450 1.00 74.13 C ATOM 0 H ILE A 52 -12.826 2.532 6.267 1.00 73.12 H new ATOM 0 HA ILE A 52 -10.667 0.613 6.934 1.00 64.21 H new ATOM 0 HB ILE A 52 -12.338 -0.374 5.363 1.00 51.42 H new ATOM 0 HG12 ILE A 52 -9.664 0.167 3.990 1.00 12.53 H new ATOM 0 HG13 ILE A 52 -9.877 -0.978 5.300 1.00 12.53 H new ATOM 0 HG21 ILE A 52 -12.509 0.479 3.025 1.00 42.01 H new ATOM 0 HG22 ILE A 52 -13.134 1.645 4.215 1.00 42.01 H new ATOM 0 HG23 ILE A 52 -11.531 1.893 3.484 1.00 42.01 H new ATOM 0 HD11 ILE A 52 -9.854 -2.120 3.134 1.00 74.13 H new ATOM 0 HD12 ILE A 52 -11.444 -2.295 3.913 1.00 74.13 H new ATOM 0 HD13 ILE A 52 -11.228 -1.133 2.582 1.00 74.13 H new ATOM 905 N LYS A 53 -8.915 2.068 5.876 1.00 33.33 N ATOM 906 CA LYS A 53 -7.845 2.910 5.351 1.00 72.34 C ATOM 907 C LYS A 53 -6.812 1.994 4.705 1.00 13.23 C ATOM 908 O LYS A 53 -6.485 0.931 5.254 1.00 52.24 O ATOM 909 CB LYS A 53 -7.165 3.784 6.441 1.00 15.32 C ATOM 910 CG LYS A 53 -8.099 4.762 7.181 1.00 21.22 C ATOM 911 CD LYS A 53 -7.338 5.765 8.082 1.00 4.21 C ATOM 912 CE LYS A 53 -6.302 5.096 9.000 1.00 61.03 C ATOM 913 NZ LYS A 53 -5.640 6.082 9.894 1.00 1.23 N ATOM 0 H LYS A 53 -8.574 1.232 6.351 1.00 33.33 H new ATOM 0 HA LYS A 53 -8.277 3.605 4.631 1.00 72.34 H new ATOM 0 HB2 LYS A 53 -6.702 3.124 7.175 1.00 15.32 H new ATOM 0 HB3 LYS A 53 -6.362 4.356 5.976 1.00 15.32 H new ATOM 0 HG2 LYS A 53 -8.689 5.315 6.450 1.00 21.22 H new ATOM 0 HG3 LYS A 53 -8.800 4.193 7.792 1.00 21.22 H new ATOM 0 HD2 LYS A 53 -6.835 6.498 7.452 1.00 4.21 H new ATOM 0 HD3 LYS A 53 -8.057 6.310 8.694 1.00 4.21 H new ATOM 0 HE2 LYS A 53 -6.791 4.330 9.602 1.00 61.03 H new ATOM 0 HE3 LYS A 53 -5.549 4.593 8.393 1.00 61.03 H new ATOM 0 HZ1 LYS A 53 -4.948 5.594 10.498 1.00 1.23 H new ATOM 0 HZ2 LYS A 53 -5.153 6.799 9.320 1.00 1.23 H new ATOM 0 HZ3 LYS A 53 -6.355 6.544 10.491 1.00 1.23 H new ATOM 927 N VAL A 54 -6.326 2.395 3.534 1.00 13.24 N ATOM 928 CA VAL A 54 -5.292 1.657 2.792 1.00 12.53 C ATOM 929 C VAL A 54 -4.041 2.540 2.651 1.00 44.51 C ATOM 930 O VAL A 54 -4.156 3.748 2.492 1.00 33.52 O ATOM 931 CB VAL A 54 -5.828 1.214 1.378 1.00 23.23 C ATOM 932 CG1 VAL A 54 -4.792 0.361 0.617 1.00 61.52 C ATOM 933 CG2 VAL A 54 -7.183 0.473 1.513 1.00 34.34 C ATOM 0 H VAL A 54 -6.636 3.246 3.065 1.00 13.24 H new ATOM 0 HA VAL A 54 -5.031 0.753 3.343 1.00 12.53 H new ATOM 0 HB VAL A 54 -5.993 2.115 0.788 1.00 23.23 H new ATOM 0 HG11 VAL A 54 -5.198 0.075 -0.353 1.00 61.52 H new ATOM 0 HG12 VAL A 54 -3.880 0.940 0.472 1.00 61.52 H new ATOM 0 HG13 VAL A 54 -4.565 -0.536 1.194 1.00 61.52 H new ATOM 0 HG21 VAL A 54 -7.535 0.176 0.525 1.00 34.34 H new ATOM 0 HG22 VAL A 54 -7.053 -0.414 2.134 1.00 34.34 H new ATOM 0 HG23 VAL A 54 -7.915 1.135 1.975 1.00 34.34 H new ATOM 943 N LEU A 55 -2.858 1.924 2.765 1.00 61.41 N ATOM 944 CA LEU A 55 -1.564 2.598 2.599 1.00 51.51 C ATOM 945 C LEU A 55 -0.811 1.941 1.435 1.00 53.13 C ATOM 946 O LEU A 55 -0.336 0.811 1.557 1.00 10.40 O ATOM 947 CB LEU A 55 -0.737 2.487 3.904 1.00 44.35 C ATOM 948 CG LEU A 55 0.675 3.153 3.867 1.00 34.22 C ATOM 949 CD1 LEU A 55 0.594 4.685 3.731 1.00 53.43 C ATOM 950 CD2 LEU A 55 1.512 2.729 5.083 1.00 43.00 C ATOM 0 H LEU A 55 -2.771 0.930 2.978 1.00 61.41 H new ATOM 0 HA LEU A 55 -1.722 3.654 2.382 1.00 51.51 H new ATOM 0 HB2 LEU A 55 -1.310 2.936 4.715 1.00 44.35 H new ATOM 0 HB3 LEU A 55 -0.615 1.431 4.147 1.00 44.35 H new ATOM 0 HG LEU A 55 1.182 2.793 2.972 1.00 34.22 H new ATOM 0 HD11 LEU A 55 1.601 5.102 3.710 1.00 53.43 H new ATOM 0 HD12 LEU A 55 0.075 4.941 2.807 1.00 53.43 H new ATOM 0 HD13 LEU A 55 0.048 5.097 4.580 1.00 53.43 H new ATOM 0 HD21 LEU A 55 2.491 3.206 5.035 1.00 43.00 H new ATOM 0 HD22 LEU A 55 1.005 3.034 5.998 1.00 43.00 H new ATOM 0 HD23 LEU A 55 1.635 1.646 5.080 1.00 43.00 H new ATOM 962 N ILE A 56 -0.704 2.662 0.320 1.00 22.01 N ATOM 963 CA ILE A 56 -0.070 2.164 -0.902 1.00 20.51 C ATOM 964 C ILE A 56 1.358 2.744 -0.986 1.00 3.15 C ATOM 965 O ILE A 56 1.520 3.938 -1.232 1.00 24.01 O ATOM 966 CB ILE A 56 -0.898 2.570 -2.186 1.00 13.14 C ATOM 967 CG1 ILE A 56 -2.389 2.122 -2.050 1.00 42.15 C ATOM 968 CG2 ILE A 56 -0.252 1.978 -3.465 1.00 40.41 C ATOM 969 CD1 ILE A 56 -3.305 2.569 -3.179 1.00 73.33 C ATOM 0 H ILE A 56 -1.057 3.615 0.238 1.00 22.01 H new ATOM 0 HA ILE A 56 -0.035 1.075 -0.866 1.00 20.51 H new ATOM 0 HB ILE A 56 -0.882 3.656 -2.273 1.00 13.14 H new ATOM 0 HG12 ILE A 56 -2.421 1.034 -1.987 1.00 42.15 H new ATOM 0 HG13 ILE A 56 -2.783 2.507 -1.110 1.00 42.15 H new ATOM 0 HG21 ILE A 56 -0.838 2.270 -4.337 1.00 40.41 H new ATOM 0 HG22 ILE A 56 0.765 2.357 -3.568 1.00 40.41 H new ATOM 0 HG23 ILE A 56 -0.228 0.891 -3.391 1.00 40.41 H new ATOM 0 HD11 ILE A 56 -4.316 2.208 -2.991 1.00 73.33 H new ATOM 0 HD12 ILE A 56 -3.312 3.658 -3.232 1.00 73.33 H new ATOM 0 HD13 ILE A 56 -2.944 2.162 -4.123 1.00 73.33 H new ATOM 981 N LEU A 57 2.383 1.900 -0.768 1.00 62.42 N ATOM 982 CA LEU A 57 3.791 2.319 -0.893 1.00 33.40 C ATOM 983 C LEU A 57 4.218 2.028 -2.331 1.00 53.23 C ATOM 984 O LEU A 57 4.315 0.865 -2.711 1.00 15.13 O ATOM 985 CB LEU A 57 4.725 1.547 0.097 1.00 10.04 C ATOM 986 CG LEU A 57 4.505 1.765 1.632 1.00 51.13 C ATOM 987 CD1 LEU A 57 4.410 3.253 1.988 1.00 52.01 C ATOM 988 CD2 LEU A 57 3.294 0.979 2.168 1.00 4.50 C ATOM 0 H LEU A 57 2.262 0.922 -0.504 1.00 62.42 H new ATOM 0 HA LEU A 57 3.877 3.378 -0.648 1.00 33.40 H new ATOM 0 HB2 LEU A 57 4.622 0.481 -0.108 1.00 10.04 H new ATOM 0 HB3 LEU A 57 5.755 1.818 -0.135 1.00 10.04 H new ATOM 0 HG LEU A 57 5.388 1.365 2.131 1.00 51.13 H new ATOM 0 HD11 LEU A 57 4.257 3.361 3.062 1.00 52.01 H new ATOM 0 HD12 LEU A 57 5.333 3.756 1.700 1.00 52.01 H new ATOM 0 HD13 LEU A 57 3.571 3.702 1.455 1.00 52.01 H new ATOM 0 HD21 LEU A 57 3.184 1.164 3.237 1.00 4.50 H new ATOM 0 HD22 LEU A 57 2.392 1.303 1.649 1.00 4.50 H new ATOM 0 HD23 LEU A 57 3.448 -0.087 1.998 1.00 4.50 H new ATOM 1000 N VAL A 58 4.473 3.074 -3.118 1.00 13.33 N ATOM 1001 CA VAL A 58 4.785 2.933 -4.550 1.00 62.15 C ATOM 1002 C VAL A 58 6.287 3.075 -4.807 1.00 70.42 C ATOM 1003 O VAL A 58 6.984 3.769 -4.076 1.00 3.35 O ATOM 1004 CB VAL A 58 3.999 3.980 -5.413 1.00 73.31 C ATOM 1005 CG1 VAL A 58 2.477 3.835 -5.219 1.00 31.33 C ATOM 1006 CG2 VAL A 58 4.458 5.420 -5.119 1.00 2.35 C ATOM 0 H VAL A 58 4.470 4.039 -2.788 1.00 13.33 H new ATOM 0 HA VAL A 58 4.471 1.932 -4.847 1.00 62.15 H new ATOM 0 HB VAL A 58 4.226 3.771 -6.458 1.00 73.31 H new ATOM 0 HG11 VAL A 58 1.960 4.575 -5.830 1.00 31.33 H new ATOM 0 HG12 VAL A 58 2.166 2.835 -5.519 1.00 31.33 H new ATOM 0 HG13 VAL A 58 2.227 3.993 -4.170 1.00 31.33 H new ATOM 0 HG21 VAL A 58 3.890 6.116 -5.736 1.00 2.35 H new ATOM 0 HG22 VAL A 58 4.290 5.648 -4.066 1.00 2.35 H new ATOM 0 HG23 VAL A 58 5.520 5.517 -5.346 1.00 2.35 H new ATOM 1016 N SER A 59 6.764 2.408 -5.855 1.00 21.44 N ATOM 1017 CA SER A 59 8.146 2.545 -6.323 1.00 2.42 C ATOM 1018 C SER A 59 8.315 3.865 -7.111 1.00 43.20 C ATOM 1019 O SER A 59 9.175 4.696 -6.790 1.00 15.44 O ATOM 1020 CB SER A 59 8.498 1.324 -7.199 1.00 73.13 C ATOM 1021 OG SER A 59 7.524 1.130 -8.223 1.00 62.33 O ATOM 0 H SER A 59 6.205 1.756 -6.406 1.00 21.44 H new ATOM 0 HA SER A 59 8.826 2.580 -5.472 1.00 2.42 H new ATOM 0 HB2 SER A 59 9.480 1.466 -7.649 1.00 73.13 H new ATOM 0 HB3 SER A 59 8.559 0.431 -6.577 1.00 73.13 H new ATOM 0 HG SER A 59 7.770 0.352 -8.765 1.00 62.33 H new ATOM 1027 N ASN A 60 7.435 4.050 -8.105 1.00 73.11 N ATOM 1028 CA ASN A 60 7.517 5.135 -9.100 1.00 24.42 C ATOM 1029 C ASN A 60 6.629 6.330 -8.710 1.00 44.54 C ATOM 1030 O ASN A 60 5.542 6.150 -8.149 1.00 62.02 O ATOM 1031 CB ASN A 60 7.078 4.588 -10.483 1.00 70.23 C ATOM 1032 CG ASN A 60 8.013 3.503 -11.036 1.00 23.24 C ATOM 1033 OD1 ASN A 60 9.224 3.561 -10.854 1.00 12.25 O ATOM 1034 ND2 ASN A 60 7.459 2.500 -11.700 1.00 13.24 N ATOM 0 H ASN A 60 6.630 3.439 -8.245 1.00 73.11 H new ATOM 0 HA ASN A 60 8.548 5.486 -9.141 1.00 24.42 H new ATOM 0 HB2 ASN A 60 6.070 4.181 -10.401 1.00 70.23 H new ATOM 0 HB3 ASN A 60 7.031 5.413 -11.193 1.00 70.23 H new ATOM 0 HD21 ASN A 60 8.043 1.752 -12.074 1.00 13.24 H new ATOM 0 HD22 ASN A 60 6.449 2.476 -11.837 1.00 13.24 H new ATOM 1041 N ASP A 61 7.109 7.553 -9.036 1.00 50.14 N ATOM 1042 CA ASP A 61 6.345 8.814 -8.876 1.00 64.13 C ATOM 1043 C ASP A 61 5.081 8.828 -9.754 1.00 22.33 C ATOM 1044 O ASP A 61 4.094 9.488 -9.417 1.00 51.44 O ATOM 1045 CB ASP A 61 7.245 10.049 -9.194 1.00 22.23 C ATOM 1046 CG ASP A 61 7.852 10.022 -10.609 1.00 13.02 C ATOM 1047 OD1 ASP A 61 7.203 10.492 -11.564 1.00 74.21 O ATOM 1048 OD2 ASP A 61 8.985 9.514 -10.771 1.00 1.43 O ATOM 0 H ASP A 61 8.043 7.694 -9.420 1.00 50.14 H new ATOM 0 HA ASP A 61 6.026 8.873 -7.835 1.00 64.13 H new ATOM 0 HB2 ASP A 61 6.654 10.958 -9.078 1.00 22.23 H new ATOM 0 HB3 ASP A 61 8.052 10.098 -8.463 1.00 22.23 H new ATOM 1053 N GLU A 62 5.129 8.085 -10.875 1.00 41.23 N ATOM 1054 CA GLU A 62 3.972 7.902 -11.765 1.00 1.43 C ATOM 1055 C GLU A 62 2.893 7.070 -11.047 1.00 44.22 C ATOM 1056 O GLU A 62 1.709 7.405 -11.100 1.00 73.53 O ATOM 1057 CB GLU A 62 4.417 7.226 -13.091 1.00 60.11 C ATOM 1058 CG GLU A 62 3.281 6.967 -14.107 1.00 35.41 C ATOM 1059 CD GLU A 62 3.781 6.402 -15.449 1.00 51.32 C ATOM 1060 OE1 GLU A 62 3.985 5.175 -15.547 1.00 51.11 O ATOM 1061 OE2 GLU A 62 3.985 7.185 -16.406 1.00 4.12 O ATOM 0 H GLU A 62 5.969 7.597 -11.187 1.00 41.23 H new ATOM 0 HA GLU A 62 3.547 8.874 -12.014 1.00 1.43 H new ATOM 0 HB2 GLU A 62 5.172 7.853 -13.565 1.00 60.11 H new ATOM 0 HB3 GLU A 62 4.895 6.276 -12.854 1.00 60.11 H new ATOM 0 HG2 GLU A 62 2.565 6.270 -13.671 1.00 35.41 H new ATOM 0 HG3 GLU A 62 2.747 7.899 -14.290 1.00 35.41 H new ATOM 1068 N GLU A 63 3.347 6.014 -10.329 1.00 0.41 N ATOM 1069 CA GLU A 63 2.464 5.124 -9.552 1.00 51.14 C ATOM 1070 C GLU A 63 1.862 5.830 -8.327 1.00 24.42 C ATOM 1071 O GLU A 63 0.789 5.448 -7.876 1.00 33.05 O ATOM 1072 CB GLU A 63 3.191 3.817 -9.123 1.00 24.34 C ATOM 1073 CG GLU A 63 3.635 2.914 -10.291 1.00 12.43 C ATOM 1074 CD GLU A 63 2.505 2.633 -11.304 1.00 2.43 C ATOM 1075 OE1 GLU A 63 1.631 1.787 -11.020 1.00 41.30 O ATOM 1076 OE2 GLU A 63 2.492 3.262 -12.390 1.00 2.23 O ATOM 0 H GLU A 63 4.333 5.760 -10.275 1.00 0.41 H new ATOM 0 HA GLU A 63 1.644 4.853 -10.217 1.00 51.14 H new ATOM 0 HB2 GLU A 63 4.068 4.082 -8.533 1.00 24.34 H new ATOM 0 HB3 GLU A 63 2.529 3.246 -8.472 1.00 24.34 H new ATOM 0 HG2 GLU A 63 4.470 3.385 -10.809 1.00 12.43 H new ATOM 0 HG3 GLU A 63 4.000 1.968 -9.892 1.00 12.43 H new ATOM 1083 N LEU A 64 2.587 6.819 -7.767 1.00 61.12 N ATOM 1084 CA LEU A 64 2.085 7.676 -6.669 1.00 31.24 C ATOM 1085 C LEU A 64 0.736 8.317 -7.055 1.00 40.23 C ATOM 1086 O LEU A 64 -0.311 8.037 -6.434 1.00 43.44 O ATOM 1087 CB LEU A 64 3.136 8.781 -6.331 1.00 4.31 C ATOM 1088 CG LEU A 64 2.769 9.754 -5.164 1.00 25.22 C ATOM 1089 CD1 LEU A 64 2.658 9.013 -3.822 1.00 12.53 C ATOM 1090 CD2 LEU A 64 3.772 10.923 -5.070 1.00 72.32 C ATOM 0 H LEU A 64 3.536 7.048 -8.061 1.00 61.12 H new ATOM 0 HA LEU A 64 1.929 7.056 -5.786 1.00 31.24 H new ATOM 0 HB2 LEU A 64 4.079 8.292 -6.085 1.00 4.31 H new ATOM 0 HB3 LEU A 64 3.309 9.374 -7.229 1.00 4.31 H new ATOM 0 HG LEU A 64 1.788 10.173 -5.390 1.00 25.22 H new ATOM 0 HD11 LEU A 64 2.402 9.722 -3.035 1.00 12.53 H new ATOM 0 HD12 LEU A 64 1.882 8.251 -3.890 1.00 12.53 H new ATOM 0 HD13 LEU A 64 3.612 8.540 -3.588 1.00 12.53 H new ATOM 0 HD21 LEU A 64 3.488 11.581 -4.249 1.00 72.32 H new ATOM 0 HD22 LEU A 64 4.773 10.530 -4.891 1.00 72.32 H new ATOM 0 HD23 LEU A 64 3.764 11.485 -6.004 1.00 72.32 H new ATOM 1102 N ASP A 65 0.784 9.123 -8.132 1.00 71.21 N ATOM 1103 CA ASP A 65 -0.387 9.826 -8.672 1.00 24.14 C ATOM 1104 C ASP A 65 -1.443 8.824 -9.171 1.00 4.34 C ATOM 1105 O ASP A 65 -2.623 8.976 -8.863 1.00 11.42 O ATOM 1106 CB ASP A 65 0.037 10.796 -9.802 1.00 12.04 C ATOM 1107 CG ASP A 65 -1.133 11.632 -10.356 1.00 53.44 C ATOM 1108 OD1 ASP A 65 -1.743 12.406 -9.579 1.00 41.22 O ATOM 1109 OD2 ASP A 65 -1.427 11.551 -11.571 1.00 42.45 O ATOM 0 H ASP A 65 1.643 9.304 -8.652 1.00 71.21 H new ATOM 0 HA ASP A 65 -0.836 10.413 -7.871 1.00 24.14 H new ATOM 0 HB2 ASP A 65 0.808 11.468 -9.425 1.00 12.04 H new ATOM 0 HB3 ASP A 65 0.483 10.223 -10.615 1.00 12.04 H new ATOM 1114 N LYS A 66 -0.975 7.749 -9.841 1.00 43.41 N ATOM 1115 CA LYS A 66 -1.845 6.744 -10.484 1.00 25.50 C ATOM 1116 C LYS A 66 -2.722 6.021 -9.441 1.00 34.30 C ATOM 1117 O LYS A 66 -3.947 5.929 -9.599 1.00 24.41 O ATOM 1118 CB LYS A 66 -0.984 5.715 -11.279 1.00 4.32 C ATOM 1119 CG LYS A 66 -1.776 4.805 -12.247 1.00 74.43 C ATOM 1120 CD LYS A 66 -2.509 5.615 -13.344 1.00 30.22 C ATOM 1121 CE LYS A 66 -3.171 4.740 -14.419 1.00 61.11 C ATOM 1122 NZ LYS A 66 -2.164 4.027 -15.247 1.00 32.41 N ATOM 0 H LYS A 66 0.020 7.554 -9.951 1.00 43.41 H new ATOM 0 HA LYS A 66 -2.506 7.261 -11.179 1.00 25.50 H new ATOM 0 HB2 LYS A 66 -0.232 6.259 -11.850 1.00 4.32 H new ATOM 0 HB3 LYS A 66 -0.450 5.085 -10.568 1.00 4.32 H new ATOM 0 HG2 LYS A 66 -1.094 4.096 -12.716 1.00 74.43 H new ATOM 0 HG3 LYS A 66 -2.503 4.222 -11.682 1.00 74.43 H new ATOM 0 HD2 LYS A 66 -3.271 6.238 -12.875 1.00 30.22 H new ATOM 0 HD3 LYS A 66 -1.798 6.288 -13.823 1.00 30.22 H new ATOM 0 HE2 LYS A 66 -3.829 4.014 -13.942 1.00 61.11 H new ATOM 0 HE3 LYS A 66 -3.795 5.362 -15.061 1.00 61.11 H new ATOM 0 HZ1 LYS A 66 -2.646 3.501 -16.003 1.00 32.41 H new ATOM 0 HZ2 LYS A 66 -1.510 4.717 -15.668 1.00 32.41 H new ATOM 0 HZ3 LYS A 66 -1.630 3.364 -14.650 1.00 32.41 H new ATOM 1136 N ALA A 67 -2.076 5.554 -8.359 1.00 1.41 N ATOM 1137 CA ALA A 67 -2.737 4.798 -7.283 1.00 13.31 C ATOM 1138 C ALA A 67 -3.680 5.694 -6.459 1.00 3.34 C ATOM 1139 O ALA A 67 -4.709 5.214 -5.967 1.00 3.22 O ATOM 1140 CB ALA A 67 -1.693 4.137 -6.377 1.00 44.32 C ATOM 0 H ALA A 67 -1.077 5.691 -8.206 1.00 1.41 H new ATOM 0 HA ALA A 67 -3.344 4.020 -7.746 1.00 13.31 H new ATOM 0 HB1 ALA A 67 -2.197 3.582 -5.586 1.00 44.32 H new ATOM 0 HB2 ALA A 67 -1.080 3.454 -6.966 1.00 44.32 H new ATOM 0 HB3 ALA A 67 -1.058 4.904 -5.934 1.00 44.32 H new ATOM 1146 N LYS A 68 -3.322 6.996 -6.314 1.00 75.30 N ATOM 1147 CA LYS A 68 -4.216 7.996 -5.681 1.00 23.32 C ATOM 1148 C LYS A 68 -5.499 8.191 -6.508 1.00 50.21 C ATOM 1149 O LYS A 68 -6.597 8.142 -5.957 1.00 31.42 O ATOM 1150 CB LYS A 68 -3.513 9.367 -5.477 1.00 50.40 C ATOM 1151 CG LYS A 68 -2.466 9.375 -4.346 1.00 12.23 C ATOM 1152 CD LYS A 68 -1.833 10.763 -4.109 1.00 62.31 C ATOM 1153 CE LYS A 68 -1.084 11.287 -5.343 1.00 43.24 C ATOM 1154 NZ LYS A 68 -0.504 12.635 -5.115 1.00 4.22 N ATOM 0 H LYS A 68 -2.427 7.374 -6.625 1.00 75.30 H new ATOM 0 HA LYS A 68 -4.477 7.601 -4.699 1.00 23.32 H new ATOM 0 HB2 LYS A 68 -3.028 9.657 -6.409 1.00 50.40 H new ATOM 0 HB3 LYS A 68 -4.269 10.123 -5.263 1.00 50.40 H new ATOM 0 HG2 LYS A 68 -2.936 9.035 -3.423 1.00 12.23 H new ATOM 0 HG3 LYS A 68 -1.678 8.660 -4.584 1.00 12.23 H new ATOM 0 HD2 LYS A 68 -2.613 11.472 -3.834 1.00 62.31 H new ATOM 0 HD3 LYS A 68 -1.143 10.705 -3.267 1.00 62.31 H new ATOM 0 HE2 LYS A 68 -0.288 10.590 -5.606 1.00 43.24 H new ATOM 0 HE3 LYS A 68 -1.767 11.326 -6.192 1.00 43.24 H new ATOM 0 HZ1 LYS A 68 -0.008 12.949 -5.973 1.00 4.22 H new ATOM 0 HZ2 LYS A 68 -1.265 13.307 -4.889 1.00 4.22 H new ATOM 0 HZ3 LYS A 68 0.168 12.594 -4.322 1.00 4.22 H new ATOM 1168 N GLU A 69 -5.330 8.375 -7.839 1.00 20.02 N ATOM 1169 CA GLU A 69 -6.452 8.599 -8.784 1.00 52.13 C ATOM 1170 C GLU A 69 -7.461 7.438 -8.699 1.00 13.11 C ATOM 1171 O GLU A 69 -8.658 7.663 -8.504 1.00 3.14 O ATOM 1172 CB GLU A 69 -5.949 8.729 -10.247 1.00 24.33 C ATOM 1173 CG GLU A 69 -5.057 9.947 -10.553 1.00 73.23 C ATOM 1174 CD GLU A 69 -4.490 9.901 -11.987 1.00 2.31 C ATOM 1175 OE1 GLU A 69 -3.689 8.990 -12.289 1.00 74.53 O ATOM 1176 OE2 GLU A 69 -4.861 10.752 -12.831 1.00 63.04 O ATOM 0 H GLU A 69 -4.414 8.373 -8.288 1.00 20.02 H new ATOM 0 HA GLU A 69 -6.936 9.533 -8.499 1.00 52.13 H new ATOM 0 HB2 GLU A 69 -5.394 7.826 -10.500 1.00 24.33 H new ATOM 0 HB3 GLU A 69 -6.817 8.765 -10.906 1.00 24.33 H new ATOM 0 HG2 GLU A 69 -5.634 10.862 -10.420 1.00 73.23 H new ATOM 0 HG3 GLU A 69 -4.234 9.983 -9.839 1.00 73.23 H new ATOM 1183 N LEU A 70 -6.919 6.201 -8.765 1.00 32.33 N ATOM 1184 CA LEU A 70 -7.698 4.949 -8.720 1.00 31.14 C ATOM 1185 C LEU A 70 -8.487 4.842 -7.399 1.00 12.33 C ATOM 1186 O LEU A 70 -9.685 4.544 -7.411 1.00 33.04 O ATOM 1187 CB LEU A 70 -6.744 3.721 -8.898 1.00 41.42 C ATOM 1188 CG LEU A 70 -6.031 3.603 -10.286 1.00 32.44 C ATOM 1189 CD1 LEU A 70 -4.939 2.498 -10.281 1.00 15.24 C ATOM 1190 CD2 LEU A 70 -7.059 3.380 -11.418 1.00 70.35 C ATOM 0 H LEU A 70 -5.915 6.045 -8.852 1.00 32.33 H new ATOM 0 HA LEU A 70 -8.418 4.955 -9.539 1.00 31.14 H new ATOM 0 HB2 LEU A 70 -5.980 3.764 -8.122 1.00 41.42 H new ATOM 0 HB3 LEU A 70 -7.320 2.811 -8.729 1.00 41.42 H new ATOM 0 HG LEU A 70 -5.524 4.549 -10.477 1.00 32.44 H new ATOM 0 HD11 LEU A 70 -4.468 2.448 -11.263 1.00 15.24 H new ATOM 0 HD12 LEU A 70 -4.186 2.734 -9.529 1.00 15.24 H new ATOM 0 HD13 LEU A 70 -5.396 1.536 -10.048 1.00 15.24 H new ATOM 0 HD21 LEU A 70 -6.538 3.301 -12.372 1.00 70.35 H new ATOM 0 HD22 LEU A 70 -7.613 2.460 -11.230 1.00 70.35 H new ATOM 0 HD23 LEU A 70 -7.752 4.221 -11.451 1.00 70.35 H new ATOM 1202 N ALA A 71 -7.802 5.131 -6.279 1.00 0.35 N ATOM 1203 CA ALA A 71 -8.385 5.085 -4.920 1.00 0.14 C ATOM 1204 C ALA A 71 -9.545 6.084 -4.744 1.00 65.42 C ATOM 1205 O ALA A 71 -10.525 5.799 -4.037 1.00 52.44 O ATOM 1206 CB ALA A 71 -7.285 5.373 -3.895 1.00 35.32 C ATOM 0 H ALA A 71 -6.820 5.406 -6.288 1.00 0.35 H new ATOM 0 HA ALA A 71 -8.798 4.088 -4.765 1.00 0.14 H new ATOM 0 HB1 ALA A 71 -7.706 5.341 -2.890 1.00 35.32 H new ATOM 0 HB2 ALA A 71 -6.500 4.622 -3.983 1.00 35.32 H new ATOM 0 HB3 ALA A 71 -6.864 6.361 -4.081 1.00 35.32 H new ATOM 1212 N GLN A 72 -9.409 7.251 -5.391 1.00 32.33 N ATOM 1213 CA GLN A 72 -10.415 8.329 -5.354 1.00 1.52 C ATOM 1214 C GLN A 72 -11.634 7.986 -6.231 1.00 33.32 C ATOM 1215 O GLN A 72 -12.768 8.324 -5.871 1.00 45.31 O ATOM 1216 CB GLN A 72 -9.757 9.672 -5.771 1.00 10.03 C ATOM 1217 CG GLN A 72 -8.661 10.146 -4.787 1.00 53.25 C ATOM 1218 CD GLN A 72 -7.807 11.305 -5.308 1.00 52.50 C ATOM 1219 OE1 GLN A 72 -8.278 12.166 -6.047 1.00 4.32 O ATOM 1220 NE2 GLN A 72 -6.532 11.315 -4.943 1.00 11.54 N ATOM 0 H GLN A 72 -8.593 7.477 -5.959 1.00 32.33 H new ATOM 0 HA GLN A 72 -10.786 8.434 -4.335 1.00 1.52 H new ATOM 0 HB2 GLN A 72 -9.322 9.563 -6.764 1.00 10.03 H new ATOM 0 HB3 GLN A 72 -10.528 10.440 -5.843 1.00 10.03 H new ATOM 0 HG2 GLN A 72 -9.134 10.449 -3.853 1.00 53.25 H new ATOM 0 HG3 GLN A 72 -8.008 9.304 -4.555 1.00 53.25 H new ATOM 0 HE21 GLN A 72 -6.172 10.585 -4.328 1.00 11.54 H new ATOM 0 HE22 GLN A 72 -5.912 12.052 -5.277 1.00 11.54 H new ATOM 1229 N LYS A 73 -11.400 7.272 -7.356 1.00 3.40 N ATOM 1230 CA LYS A 73 -12.493 6.755 -8.217 1.00 20.10 C ATOM 1231 C LYS A 73 -13.283 5.670 -7.459 1.00 71.02 C ATOM 1232 O LYS A 73 -14.497 5.535 -7.627 1.00 52.21 O ATOM 1233 CB LYS A 73 -11.949 6.173 -9.561 1.00 50.40 C ATOM 1234 CG LYS A 73 -11.100 7.140 -10.416 1.00 64.10 C ATOM 1235 CD LYS A 73 -11.761 8.514 -10.665 1.00 55.21 C ATOM 1236 CE LYS A 73 -13.060 8.435 -11.480 1.00 12.51 C ATOM 1237 NZ LYS A 73 -13.718 9.768 -11.591 1.00 71.43 N ATOM 0 H LYS A 73 -10.465 7.040 -7.690 1.00 3.40 H new ATOM 0 HA LYS A 73 -13.149 7.591 -8.460 1.00 20.10 H new ATOM 0 HB2 LYS A 73 -11.347 5.292 -9.337 1.00 50.40 H new ATOM 0 HB3 LYS A 73 -12.796 5.837 -10.159 1.00 50.40 H new ATOM 0 HG2 LYS A 73 -10.140 7.295 -9.923 1.00 64.10 H new ATOM 0 HG3 LYS A 73 -10.892 6.670 -11.377 1.00 64.10 H new ATOM 0 HD2 LYS A 73 -11.973 8.985 -9.705 1.00 55.21 H new ATOM 0 HD3 LYS A 73 -11.054 9.158 -11.187 1.00 55.21 H new ATOM 0 HE2 LYS A 73 -12.842 8.052 -12.477 1.00 12.51 H new ATOM 0 HE3 LYS A 73 -13.744 7.729 -11.009 1.00 12.51 H new ATOM 0 HZ1 LYS A 73 -14.592 9.678 -12.147 1.00 71.43 H new ATOM 0 HZ2 LYS A 73 -13.947 10.122 -10.640 1.00 71.43 H new ATOM 0 HZ3 LYS A 73 -13.074 10.435 -12.063 1.00 71.43 H new ATOM 1251 N MET A 74 -12.552 4.917 -6.612 1.00 32.54 N ATOM 1252 CA MET A 74 -13.113 3.875 -5.727 1.00 53.11 C ATOM 1253 C MET A 74 -13.705 4.480 -4.439 1.00 4.01 C ATOM 1254 O MET A 74 -14.319 3.754 -3.655 1.00 42.34 O ATOM 1255 CB MET A 74 -12.012 2.843 -5.363 1.00 61.02 C ATOM 1256 CG MET A 74 -11.484 2.030 -6.542 1.00 33.32 C ATOM 1257 SD MET A 74 -12.733 0.956 -7.271 1.00 51.23 S ATOM 1258 CE MET A 74 -11.704 -0.202 -8.172 1.00 0.40 C ATOM 0 H MET A 74 -11.541 5.017 -6.522 1.00 32.54 H new ATOM 0 HA MET A 74 -13.920 3.379 -6.267 1.00 53.11 H new ATOM 0 HB2 MET A 74 -11.178 3.370 -4.900 1.00 61.02 H new ATOM 0 HB3 MET A 74 -12.409 2.157 -4.615 1.00 61.02 H new ATOM 0 HG2 MET A 74 -11.107 2.710 -7.306 1.00 33.32 H new ATOM 0 HG3 MET A 74 -10.641 1.424 -6.210 1.00 33.32 H new ATOM 0 HE1 MET A 74 -12.331 -0.831 -8.804 1.00 0.40 H new ATOM 0 HE2 MET A 74 -10.997 0.347 -8.794 1.00 0.40 H new ATOM 0 HE3 MET A 74 -11.157 -0.827 -7.467 1.00 0.40 H new ATOM 1268 N GLU A 75 -13.478 5.801 -4.230 1.00 22.14 N ATOM 1269 CA GLU A 75 -13.946 6.574 -3.042 1.00 62.32 C ATOM 1270 C GLU A 75 -13.444 6.014 -1.686 1.00 15.13 C ATOM 1271 O GLU A 75 -13.947 6.412 -0.626 1.00 72.21 O ATOM 1272 CB GLU A 75 -15.496 6.694 -3.035 1.00 45.04 C ATOM 1273 CG GLU A 75 -16.103 7.365 -4.279 1.00 75.21 C ATOM 1274 CD GLU A 75 -17.637 7.444 -4.208 1.00 53.32 C ATOM 1275 OE1 GLU A 75 -18.297 6.388 -4.330 1.00 21.33 O ATOM 1276 OE2 GLU A 75 -18.194 8.546 -4.008 1.00 73.43 O ATOM 0 H GLU A 75 -12.955 6.374 -4.893 1.00 22.14 H new ATOM 0 HA GLU A 75 -13.502 7.564 -3.145 1.00 62.32 H new ATOM 0 HB2 GLU A 75 -15.922 5.696 -2.935 1.00 45.04 H new ATOM 0 HB3 GLU A 75 -15.797 7.259 -2.153 1.00 45.04 H new ATOM 0 HG2 GLU A 75 -15.694 8.370 -4.383 1.00 75.21 H new ATOM 0 HG3 GLU A 75 -15.811 6.808 -5.169 1.00 75.21 H new ATOM 1283 N ILE A 76 -12.440 5.122 -1.722 1.00 35.13 N ATOM 1284 CA ILE A 76 -11.868 4.496 -0.516 1.00 31.42 C ATOM 1285 C ILE A 76 -10.851 5.467 0.110 1.00 20.32 C ATOM 1286 O ILE A 76 -10.036 6.068 -0.604 1.00 51.44 O ATOM 1287 CB ILE A 76 -11.185 3.109 -0.847 1.00 1.13 C ATOM 1288 CG1 ILE A 76 -12.188 2.171 -1.591 1.00 4.14 C ATOM 1289 CG2 ILE A 76 -10.641 2.407 0.434 1.00 25.23 C ATOM 1290 CD1 ILE A 76 -11.580 0.891 -2.125 1.00 5.11 C ATOM 0 H ILE A 76 -12.001 4.814 -2.589 1.00 35.13 H new ATOM 0 HA ILE A 76 -12.672 4.293 0.192 1.00 31.42 H new ATOM 0 HB ILE A 76 -10.335 3.313 -1.498 1.00 1.13 H new ATOM 0 HG12 ILE A 76 -12.999 1.915 -0.909 1.00 4.14 H new ATOM 0 HG13 ILE A 76 -12.631 2.721 -2.421 1.00 4.14 H new ATOM 0 HG21 ILE A 76 -10.180 1.458 0.161 1.00 25.23 H new ATOM 0 HG22 ILE A 76 -9.899 3.046 0.912 1.00 25.23 H new ATOM 0 HG23 ILE A 76 -11.463 2.225 1.126 1.00 25.23 H new ATOM 0 HD11 ILE A 76 -12.350 0.304 -2.625 1.00 5.11 H new ATOM 0 HD12 ILE A 76 -10.789 1.132 -2.835 1.00 5.11 H new ATOM 0 HD13 ILE A 76 -11.163 0.314 -1.299 1.00 5.11 H new ATOM 1302 N ASP A 77 -10.924 5.621 1.438 1.00 25.22 N ATOM 1303 CA ASP A 77 -10.064 6.536 2.197 1.00 12.32 C ATOM 1304 C ASP A 77 -8.630 5.961 2.276 1.00 14.13 C ATOM 1305 O ASP A 77 -8.352 5.059 3.067 1.00 31.04 O ATOM 1306 CB ASP A 77 -10.684 6.766 3.600 1.00 1.14 C ATOM 1307 CG ASP A 77 -9.954 7.825 4.432 1.00 43.34 C ATOM 1308 OD1 ASP A 77 -9.780 8.960 3.945 1.00 74.35 O ATOM 1309 OD2 ASP A 77 -9.538 7.530 5.569 1.00 31.05 O ATOM 0 H ASP A 77 -11.587 5.110 2.020 1.00 25.22 H new ATOM 0 HA ASP A 77 -9.997 7.502 1.697 1.00 12.32 H new ATOM 0 HB2 ASP A 77 -11.726 7.064 3.482 1.00 1.14 H new ATOM 0 HB3 ASP A 77 -10.682 5.823 4.147 1.00 1.14 H new ATOM 1314 N VAL A 78 -7.731 6.477 1.411 1.00 73.14 N ATOM 1315 CA VAL A 78 -6.386 5.891 1.161 1.00 64.43 C ATOM 1316 C VAL A 78 -5.274 6.965 1.243 1.00 70.11 C ATOM 1317 O VAL A 78 -5.483 8.121 0.874 1.00 22.25 O ATOM 1318 CB VAL A 78 -6.340 5.204 -0.271 1.00 73.42 C ATOM 1319 CG1 VAL A 78 -4.943 4.642 -0.628 1.00 23.12 C ATOM 1320 CG2 VAL A 78 -7.402 4.091 -0.399 1.00 74.34 C ATOM 0 H VAL A 78 -7.914 7.316 0.861 1.00 73.14 H new ATOM 0 HA VAL A 78 -6.208 5.145 1.936 1.00 64.43 H new ATOM 0 HB VAL A 78 -6.566 5.996 -0.985 1.00 73.42 H new ATOM 0 HG11 VAL A 78 -4.976 4.186 -1.617 1.00 23.12 H new ATOM 0 HG12 VAL A 78 -4.214 5.452 -0.626 1.00 23.12 H new ATOM 0 HG13 VAL A 78 -4.654 3.892 0.108 1.00 23.12 H new ATOM 0 HG21 VAL A 78 -7.342 3.643 -1.391 1.00 74.34 H new ATOM 0 HG22 VAL A 78 -7.220 3.326 0.356 1.00 74.34 H new ATOM 0 HG23 VAL A 78 -8.395 4.517 -0.253 1.00 74.34 H new ATOM 1330 N ARG A 79 -4.084 6.534 1.723 1.00 41.24 N ATOM 1331 CA ARG A 79 -2.822 7.297 1.654 1.00 61.03 C ATOM 1332 C ARG A 79 -1.901 6.548 0.691 1.00 1.12 C ATOM 1333 O ARG A 79 -1.812 5.323 0.755 1.00 53.43 O ATOM 1334 CB ARG A 79 -2.086 7.427 3.029 1.00 54.32 C ATOM 1335 CG ARG A 79 -2.868 8.174 4.124 1.00 44.21 C ATOM 1336 CD ARG A 79 -3.990 7.336 4.752 1.00 62.23 C ATOM 1337 NE ARG A 79 -4.954 8.185 5.453 1.00 53.23 N ATOM 1338 CZ ARG A 79 -6.272 8.010 5.431 1.00 3.24 C ATOM 1339 NH1 ARG A 79 -6.814 6.999 4.764 1.00 62.45 N ATOM 1340 NH2 ARG A 79 -7.048 8.849 6.077 1.00 71.21 N ATOM 0 H ARG A 79 -3.975 5.627 2.178 1.00 41.24 H new ATOM 0 HA ARG A 79 -3.061 8.310 1.330 1.00 61.03 H new ATOM 0 HB2 ARG A 79 -1.850 6.427 3.392 1.00 54.32 H new ATOM 0 HB3 ARG A 79 -1.138 7.940 2.868 1.00 54.32 H new ATOM 0 HG2 ARG A 79 -2.176 8.485 4.906 1.00 44.21 H new ATOM 0 HG3 ARG A 79 -3.297 9.081 3.699 1.00 44.21 H new ATOM 0 HD2 ARG A 79 -4.500 6.766 3.976 1.00 62.23 H new ATOM 0 HD3 ARG A 79 -3.563 6.614 5.448 1.00 62.23 H new ATOM 0 HE ARG A 79 -4.589 8.967 5.997 1.00 53.23 H new ATOM 0 HH11 ARG A 79 -6.218 6.343 4.259 1.00 62.45 H new ATOM 0 HH12 ARG A 79 -7.827 6.878 4.756 1.00 62.45 H new ATOM 0 HH21 ARG A 79 -6.639 9.629 6.591 1.00 71.21 H new ATOM 0 HH22 ARG A 79 -8.060 8.721 6.064 1.00 71.21 H new ATOM 1354 N THR A 80 -1.227 7.281 -0.180 1.00 71.32 N ATOM 1355 CA THR A 80 -0.239 6.718 -1.098 1.00 2.53 C ATOM 1356 C THR A 80 1.090 7.472 -0.890 1.00 5.34 C ATOM 1357 O THR A 80 1.130 8.700 -1.006 1.00 70.11 O ATOM 1358 CB THR A 80 -0.742 6.821 -2.578 1.00 22.34 C ATOM 1359 OG1 THR A 80 -2.060 6.242 -2.685 1.00 31.14 O ATOM 1360 CG2 THR A 80 0.188 6.112 -3.571 1.00 63.32 C ATOM 0 H THR A 80 -1.348 8.289 -0.274 1.00 71.32 H new ATOM 0 HA THR A 80 -0.086 5.658 -0.893 1.00 2.53 H new ATOM 0 HB THR A 80 -0.758 7.881 -2.833 1.00 22.34 H new ATOM 0 HG1 THR A 80 -2.373 6.309 -3.611 1.00 31.14 H new ATOM 0 HG21 THR A 80 -0.210 6.216 -4.580 1.00 63.32 H new ATOM 0 HG22 THR A 80 1.180 6.561 -3.524 1.00 63.32 H new ATOM 0 HG23 THR A 80 0.256 5.055 -3.315 1.00 63.32 H new ATOM 1368 N ARG A 81 2.149 6.724 -0.535 1.00 43.01 N ATOM 1369 CA ARG A 81 3.486 7.270 -0.218 1.00 35.45 C ATOM 1370 C ARG A 81 4.515 6.731 -1.230 1.00 72.44 C ATOM 1371 O ARG A 81 4.567 5.525 -1.463 1.00 24.41 O ATOM 1372 CB ARG A 81 3.902 6.851 1.224 1.00 71.14 C ATOM 1373 CG ARG A 81 2.999 7.362 2.371 1.00 75.22 C ATOM 1374 CD ARG A 81 2.924 8.895 2.462 1.00 63.51 C ATOM 1375 NE ARG A 81 4.259 9.527 2.471 1.00 25.33 N ATOM 1376 CZ ARG A 81 4.536 10.782 2.868 1.00 0.11 C ATOM 1377 NH1 ARG A 81 3.582 11.587 3.325 1.00 21.50 N ATOM 1378 NH2 ARG A 81 5.774 11.244 2.756 1.00 44.14 N ATOM 0 H ARG A 81 2.103 5.708 -0.458 1.00 43.01 H new ATOM 0 HA ARG A 81 3.452 8.358 -0.278 1.00 35.45 H new ATOM 0 HB2 ARG A 81 3.931 5.762 1.270 1.00 71.14 H new ATOM 0 HB3 ARG A 81 4.917 7.204 1.404 1.00 71.14 H new ATOM 0 HG2 ARG A 81 1.993 6.965 2.234 1.00 75.22 H new ATOM 0 HG3 ARG A 81 3.371 6.968 3.317 1.00 75.22 H new ATOM 0 HD2 ARG A 81 2.350 9.278 1.618 1.00 63.51 H new ATOM 0 HD3 ARG A 81 2.386 9.176 3.368 1.00 63.51 H new ATOM 0 HE ARG A 81 5.042 8.960 2.147 1.00 25.33 H new ATOM 0 HH11 ARG A 81 2.619 11.256 3.380 1.00 21.50 H new ATOM 0 HH12 ARG A 81 3.813 12.535 3.621 1.00 21.50 H new ATOM 0 HH21 ARG A 81 6.508 10.649 2.371 1.00 44.14 H new ATOM 0 HH22 ARG A 81 5.993 12.194 3.055 1.00 44.14 H new ATOM 1392 N LYS A 82 5.333 7.633 -1.810 1.00 23.10 N ATOM 1393 CA LYS A 82 6.384 7.257 -2.776 1.00 41.11 C ATOM 1394 C LYS A 82 7.675 6.865 -2.038 1.00 0.11 C ATOM 1395 O LYS A 82 8.337 7.713 -1.428 1.00 64.31 O ATOM 1396 CB LYS A 82 6.659 8.412 -3.776 1.00 42.22 C ATOM 1397 CG LYS A 82 7.773 8.094 -4.812 1.00 14.15 C ATOM 1398 CD LYS A 82 8.131 9.301 -5.708 1.00 41.24 C ATOM 1399 CE LYS A 82 8.602 10.526 -4.908 1.00 70.04 C ATOM 1400 NZ LYS A 82 9.028 11.644 -5.797 1.00 54.11 N ATOM 0 H LYS A 82 5.284 8.635 -1.624 1.00 23.10 H new ATOM 0 HA LYS A 82 6.031 6.396 -3.343 1.00 41.11 H new ATOM 0 HB2 LYS A 82 5.737 8.646 -4.308 1.00 42.22 H new ATOM 0 HB3 LYS A 82 6.940 9.305 -3.217 1.00 42.22 H new ATOM 0 HG2 LYS A 82 8.668 7.763 -4.284 1.00 14.15 H new ATOM 0 HG3 LYS A 82 7.449 7.265 -5.442 1.00 14.15 H new ATOM 0 HD2 LYS A 82 8.914 9.008 -6.407 1.00 41.24 H new ATOM 0 HD3 LYS A 82 7.260 9.576 -6.303 1.00 41.24 H new ATOM 0 HE2 LYS A 82 7.796 10.867 -4.258 1.00 70.04 H new ATOM 0 HE3 LYS A 82 9.432 10.240 -4.262 1.00 70.04 H new ATOM 0 HZ1 LYS A 82 9.338 12.450 -5.217 1.00 54.11 H new ATOM 0 HZ2 LYS A 82 9.815 11.328 -6.399 1.00 54.11 H new ATOM 0 HZ3 LYS A 82 8.229 11.935 -6.396 1.00 54.11 H new ATOM 1414 N VAL A 83 8.019 5.576 -2.106 1.00 51.53 N ATOM 1415 CA VAL A 83 9.208 5.003 -1.455 1.00 61.15 C ATOM 1416 C VAL A 83 10.230 4.530 -2.514 1.00 22.25 C ATOM 1417 O VAL A 83 9.861 3.982 -3.564 1.00 53.21 O ATOM 1418 CB VAL A 83 8.801 3.821 -0.491 1.00 32.43 C ATOM 1419 CG1 VAL A 83 7.762 4.308 0.549 1.00 51.45 C ATOM 1420 CG2 VAL A 83 8.272 2.582 -1.258 1.00 21.12 C ATOM 0 H VAL A 83 7.472 4.887 -2.623 1.00 51.53 H new ATOM 0 HA VAL A 83 9.680 5.779 -0.852 1.00 61.15 H new ATOM 0 HB VAL A 83 9.705 3.505 0.029 1.00 32.43 H new ATOM 0 HG11 VAL A 83 7.491 3.482 1.207 1.00 51.45 H new ATOM 0 HG12 VAL A 83 8.191 5.117 1.140 1.00 51.45 H new ATOM 0 HG13 VAL A 83 6.872 4.668 0.033 1.00 51.45 H new ATOM 0 HG21 VAL A 83 8.007 1.800 -0.547 1.00 21.12 H new ATOM 0 HG22 VAL A 83 7.391 2.861 -1.836 1.00 21.12 H new ATOM 0 HG23 VAL A 83 9.046 2.213 -1.931 1.00 21.12 H new ATOM 1430 N THR A 84 11.523 4.791 -2.248 1.00 22.01 N ATOM 1431 CA THR A 84 12.633 4.314 -3.097 1.00 44.11 C ATOM 1432 C THR A 84 13.578 3.432 -2.267 1.00 41.10 C ATOM 1433 O THR A 84 14.149 2.459 -2.775 1.00 1.12 O ATOM 1434 CB THR A 84 13.417 5.505 -3.756 1.00 41.01 C ATOM 1435 OG1 THR A 84 13.960 6.375 -2.753 1.00 63.32 O ATOM 1436 CG2 THR A 84 12.524 6.325 -4.714 1.00 12.50 C ATOM 0 H THR A 84 11.828 5.336 -1.442 1.00 22.01 H new ATOM 0 HA THR A 84 12.210 3.722 -3.909 1.00 44.11 H new ATOM 0 HB THR A 84 14.228 5.065 -4.335 1.00 41.01 H new ATOM 0 HG1 THR A 84 14.446 7.109 -3.184 1.00 63.32 H new ATOM 0 HG21 THR A 84 13.106 7.138 -5.147 1.00 12.50 H new ATOM 0 HG22 THR A 84 12.155 5.678 -5.510 1.00 12.50 H new ATOM 0 HG23 THR A 84 11.680 6.738 -4.161 1.00 12.50 H new ATOM 1444 N SER A 85 13.736 3.787 -0.977 1.00 31.42 N ATOM 1445 CA SER A 85 14.516 3.008 0.001 1.00 15.01 C ATOM 1446 C SER A 85 13.565 2.076 0.795 1.00 61.50 C ATOM 1447 O SER A 85 12.409 2.452 1.037 1.00 62.32 O ATOM 1448 CB SER A 85 15.240 3.977 0.966 1.00 14.43 C ATOM 1449 OG SER A 85 16.047 4.905 0.259 1.00 64.44 O ATOM 0 H SER A 85 13.321 4.631 -0.582 1.00 31.42 H new ATOM 0 HA SER A 85 15.257 2.400 -0.518 1.00 15.01 H new ATOM 0 HB2 SER A 85 14.504 4.514 1.564 1.00 14.43 H new ATOM 0 HB3 SER A 85 15.860 3.408 1.659 1.00 14.43 H new ATOM 0 HG SER A 85 16.490 5.505 0.895 1.00 64.44 H new ATOM 1455 N PRO A 86 14.035 0.849 1.231 1.00 2.42 N ATOM 1456 CA PRO A 86 13.205 -0.093 2.034 1.00 62.02 C ATOM 1457 C PRO A 86 12.793 0.512 3.386 1.00 4.32 C ATOM 1458 O PRO A 86 11.696 0.252 3.873 1.00 54.24 O ATOM 1459 CB PRO A 86 14.119 -1.343 2.193 1.00 53.53 C ATOM 1460 CG PRO A 86 15.512 -0.827 1.984 1.00 70.50 C ATOM 1461 CD PRO A 86 15.377 0.267 0.947 1.00 64.30 C ATOM 0 HA PRO A 86 12.256 -0.334 1.555 1.00 62.02 H new ATOM 0 HB2 PRO A 86 14.007 -1.792 3.180 1.00 53.53 H new ATOM 0 HB3 PRO A 86 13.868 -2.112 1.463 1.00 53.53 H new ATOM 0 HG2 PRO A 86 15.932 -0.440 2.912 1.00 70.50 H new ATOM 0 HG3 PRO A 86 16.177 -1.618 1.638 1.00 70.50 H new ATOM 0 HD2 PRO A 86 16.167 1.012 1.044 1.00 64.30 H new ATOM 0 HD3 PRO A 86 15.436 -0.130 -0.066 1.00 64.30 H new ATOM 1469 N ASP A 87 13.677 1.380 3.917 1.00 10.12 N ATOM 1470 CA ASP A 87 13.494 2.114 5.186 1.00 64.11 C ATOM 1471 C ASP A 87 12.162 2.884 5.210 1.00 72.13 C ATOM 1472 O ASP A 87 11.459 2.918 6.224 1.00 23.44 O ATOM 1473 CB ASP A 87 14.660 3.131 5.376 1.00 61.13 C ATOM 1474 CG ASP A 87 16.052 2.484 5.319 1.00 32.23 C ATOM 1475 OD1 ASP A 87 16.557 2.244 4.199 1.00 52.34 O ATOM 1476 OD2 ASP A 87 16.653 2.221 6.389 1.00 51.41 O ATOM 0 H ASP A 87 14.564 1.596 3.462 1.00 10.12 H new ATOM 0 HA ASP A 87 13.487 1.381 5.992 1.00 64.11 H new ATOM 0 HB2 ASP A 87 14.592 3.898 4.604 1.00 61.13 H new ATOM 0 HB3 ASP A 87 14.541 3.634 6.336 1.00 61.13 H new ATOM 1481 N GLU A 88 11.842 3.483 4.055 1.00 72.41 N ATOM 1482 CA GLU A 88 10.648 4.309 3.866 1.00 61.34 C ATOM 1483 C GLU A 88 9.385 3.450 3.925 1.00 14.03 C ATOM 1484 O GLU A 88 8.461 3.743 4.691 1.00 72.14 O ATOM 1485 CB GLU A 88 10.733 5.036 2.504 1.00 22.14 C ATOM 1486 CG GLU A 88 12.025 5.836 2.291 1.00 20.13 C ATOM 1487 CD GLU A 88 12.251 6.926 3.352 1.00 31.42 C ATOM 1488 OE1 GLU A 88 11.552 7.957 3.305 1.00 1.21 O ATOM 1489 OE2 GLU A 88 13.116 6.751 4.240 1.00 74.44 O ATOM 0 H GLU A 88 12.416 3.404 3.215 1.00 72.41 H new ATOM 0 HA GLU A 88 10.598 5.046 4.667 1.00 61.34 H new ATOM 0 HB2 GLU A 88 10.641 4.299 1.706 1.00 22.14 H new ATOM 0 HB3 GLU A 88 9.883 5.712 2.413 1.00 22.14 H new ATOM 0 HG2 GLU A 88 12.873 5.151 2.298 1.00 20.13 H new ATOM 0 HG3 GLU A 88 11.998 6.299 1.305 1.00 20.13 H new ATOM 1496 N ALA A 89 9.413 2.339 3.159 1.00 3.31 N ATOM 1497 CA ALA A 89 8.269 1.426 3.025 1.00 13.41 C ATOM 1498 C ALA A 89 7.896 0.812 4.381 1.00 13.22 C ATOM 1499 O ALA A 89 6.717 0.692 4.707 1.00 31.31 O ATOM 1500 CB ALA A 89 8.585 0.327 2.001 1.00 11.03 C ATOM 0 H ALA A 89 10.230 2.054 2.619 1.00 3.31 H new ATOM 0 HA ALA A 89 7.412 1.998 2.669 1.00 13.41 H new ATOM 0 HB1 ALA A 89 7.730 -0.343 1.911 1.00 11.03 H new ATOM 0 HB2 ALA A 89 8.794 0.781 1.032 1.00 11.03 H new ATOM 0 HB3 ALA A 89 9.456 -0.239 2.332 1.00 11.03 H new ATOM 1506 N LYS A 90 8.929 0.473 5.169 1.00 44.41 N ATOM 1507 CA LYS A 90 8.783 -0.106 6.507 1.00 70.35 C ATOM 1508 C LYS A 90 8.222 0.928 7.507 1.00 12.41 C ATOM 1509 O LYS A 90 7.287 0.623 8.285 1.00 24.33 O ATOM 1510 CB LYS A 90 10.167 -0.604 7.010 1.00 35.24 C ATOM 1511 CG LYS A 90 10.841 -1.688 6.139 1.00 23.02 C ATOM 1512 CD LYS A 90 12.295 -1.985 6.591 1.00 3.43 C ATOM 1513 CE LYS A 90 12.382 -2.792 7.898 1.00 1.44 C ATOM 1514 NZ LYS A 90 11.989 -4.217 7.697 1.00 11.34 N ATOM 0 H LYS A 90 9.901 0.597 4.887 1.00 44.41 H new ATOM 0 HA LYS A 90 8.082 -0.938 6.442 1.00 70.35 H new ATOM 0 HB2 LYS A 90 10.839 0.252 7.078 1.00 35.24 H new ATOM 0 HB3 LYS A 90 10.047 -0.997 8.020 1.00 35.24 H new ATOM 0 HG2 LYS A 90 10.254 -2.605 6.185 1.00 23.02 H new ATOM 0 HG3 LYS A 90 10.845 -1.364 5.098 1.00 23.02 H new ATOM 0 HD2 LYS A 90 12.807 -2.534 5.801 1.00 3.43 H new ATOM 0 HD3 LYS A 90 12.826 -1.042 6.720 1.00 3.43 H new ATOM 0 HE2 LYS A 90 13.400 -2.747 8.286 1.00 1.44 H new ATOM 0 HE3 LYS A 90 11.734 -2.339 8.649 1.00 1.44 H new ATOM 0 HZ1 LYS A 90 11.896 -4.685 8.621 1.00 11.34 H new ATOM 0 HZ2 LYS A 90 11.079 -4.259 7.195 1.00 11.34 H new ATOM 0 HZ3 LYS A 90 12.717 -4.702 7.135 1.00 11.34 H new ATOM 1528 N ARG A 91 8.823 2.150 7.488 1.00 3.44 N ATOM 1529 CA ARG A 91 8.480 3.219 8.438 1.00 10.23 C ATOM 1530 C ARG A 91 6.999 3.553 8.363 1.00 61.51 C ATOM 1531 O ARG A 91 6.309 3.497 9.380 1.00 65.54 O ATOM 1532 CB ARG A 91 9.293 4.524 8.188 1.00 23.42 C ATOM 1533 CG ARG A 91 8.927 5.670 9.172 1.00 10.10 C ATOM 1534 CD ARG A 91 9.479 7.053 8.778 1.00 34.43 C ATOM 1535 NE ARG A 91 8.962 8.107 9.676 1.00 50.05 N ATOM 1536 CZ ARG A 91 8.918 9.421 9.399 1.00 2.14 C ATOM 1537 NH1 ARG A 91 9.366 9.891 8.236 1.00 54.24 N ATOM 1538 NH2 ARG A 91 8.400 10.260 10.299 1.00 30.31 N ATOM 0 H ARG A 91 9.548 2.409 6.819 1.00 3.44 H new ATOM 0 HA ARG A 91 8.733 2.837 9.427 1.00 10.23 H new ATOM 0 HB2 ARG A 91 10.357 4.304 8.276 1.00 23.42 H new ATOM 0 HB3 ARG A 91 9.121 4.862 7.166 1.00 23.42 H new ATOM 0 HG2 ARG A 91 7.841 5.734 9.247 1.00 10.10 H new ATOM 0 HG3 ARG A 91 9.300 5.413 10.163 1.00 10.10 H new ATOM 0 HD2 ARG A 91 10.568 7.038 8.818 1.00 34.43 H new ATOM 0 HD3 ARG A 91 9.201 7.279 7.749 1.00 34.43 H new ATOM 0 HE ARG A 91 8.608 7.811 10.586 1.00 50.05 H new ATOM 0 HH11 ARG A 91 9.749 9.251 7.541 1.00 54.24 H new ATOM 0 HH12 ARG A 91 9.326 10.891 8.041 1.00 54.24 H new ATOM 0 HH21 ARG A 91 8.043 9.901 11.185 1.00 30.31 H new ATOM 0 HH22 ARG A 91 8.361 11.260 10.101 1.00 30.31 H new ATOM 1552 N TRP A 92 6.516 3.862 7.142 1.00 71.13 N ATOM 1553 CA TRP A 92 5.134 4.300 6.924 1.00 71.10 C ATOM 1554 C TRP A 92 4.091 3.280 7.428 1.00 15.14 C ATOM 1555 O TRP A 92 3.008 3.679 7.849 1.00 21.14 O ATOM 1556 CB TRP A 92 4.889 4.637 5.432 1.00 10.42 C ATOM 1557 CG TRP A 92 5.760 5.750 4.854 1.00 55.55 C ATOM 1558 CD1 TRP A 92 6.392 5.742 3.642 1.00 62.32 C ATOM 1559 CD2 TRP A 92 6.076 7.025 5.443 1.00 33.21 C ATOM 1560 NE1 TRP A 92 7.073 6.912 3.444 1.00 73.33 N ATOM 1561 CE2 TRP A 92 6.896 7.714 4.529 1.00 53.01 C ATOM 1562 CE3 TRP A 92 5.752 7.650 6.646 1.00 52.22 C ATOM 1563 CZ2 TRP A 92 7.388 8.988 4.778 1.00 3.23 C ATOM 1564 CZ3 TRP A 92 6.239 8.916 6.895 1.00 24.43 C ATOM 1565 CH2 TRP A 92 7.050 9.574 5.964 1.00 23.34 C ATOM 0 H TRP A 92 7.073 3.813 6.289 1.00 71.13 H new ATOM 0 HA TRP A 92 5.002 5.204 7.518 1.00 71.10 H new ATOM 0 HB2 TRP A 92 5.048 3.733 4.843 1.00 10.42 H new ATOM 0 HB3 TRP A 92 3.843 4.918 5.309 1.00 10.42 H new ATOM 0 HD1 TRP A 92 6.358 4.924 2.937 1.00 62.32 H new ATOM 0 HE1 TRP A 92 7.624 7.145 2.618 1.00 73.33 H new ATOM 0 HE3 TRP A 92 5.129 7.150 7.373 1.00 52.22 H new ATOM 0 HZ2 TRP A 92 8.015 9.497 4.060 1.00 3.23 H new ATOM 0 HZ3 TRP A 92 5.990 9.408 7.824 1.00 24.43 H new ATOM 0 HH2 TRP A 92 7.416 10.565 6.188 1.00 23.34 H new ATOM 1576 N ILE A 93 4.445 1.978 7.411 1.00 23.43 N ATOM 1577 CA ILE A 93 3.571 0.901 7.921 1.00 5.12 C ATOM 1578 C ILE A 93 3.488 0.978 9.458 1.00 54.34 C ATOM 1579 O ILE A 93 2.388 0.881 10.029 1.00 44.21 O ATOM 1580 CB ILE A 93 4.085 -0.513 7.455 1.00 70.11 C ATOM 1581 CG1 ILE A 93 4.066 -0.598 5.897 1.00 10.14 C ATOM 1582 CG2 ILE A 93 3.266 -1.673 8.088 1.00 33.11 C ATOM 1583 CD1 ILE A 93 4.709 -1.841 5.324 1.00 51.02 C ATOM 0 H ILE A 93 5.338 1.645 7.046 1.00 23.43 H new ATOM 0 HA ILE A 93 2.571 1.039 7.509 1.00 5.12 H new ATOM 0 HB ILE A 93 5.111 -0.628 7.805 1.00 70.11 H new ATOM 0 HG12 ILE A 93 3.032 -0.551 5.557 1.00 10.14 H new ATOM 0 HG13 ILE A 93 4.575 0.277 5.493 1.00 10.14 H new ATOM 0 HG21 ILE A 93 3.657 -2.628 7.737 1.00 33.11 H new ATOM 0 HG22 ILE A 93 3.346 -1.625 9.174 1.00 33.11 H new ATOM 0 HG23 ILE A 93 2.220 -1.581 7.797 1.00 33.11 H new ATOM 0 HD11 ILE A 93 4.649 -1.813 4.236 1.00 51.02 H new ATOM 0 HD12 ILE A 93 5.755 -1.883 5.629 1.00 51.02 H new ATOM 0 HD13 ILE A 93 4.187 -2.724 5.694 1.00 51.02 H new ATOM 1595 N LYS A 94 4.657 1.172 10.122 1.00 55.34 N ATOM 1596 CA LYS A 94 4.709 1.386 11.585 1.00 33.15 C ATOM 1597 C LYS A 94 3.888 2.634 11.994 1.00 24.32 C ATOM 1598 O LYS A 94 3.094 2.572 12.939 1.00 54.20 O ATOM 1599 CB LYS A 94 6.178 1.518 12.090 1.00 53.22 C ATOM 1600 CG LYS A 94 6.300 1.641 13.631 1.00 70.31 C ATOM 1601 CD LYS A 94 7.751 1.803 14.158 1.00 23.54 C ATOM 1602 CE LYS A 94 8.648 0.558 13.965 1.00 45.33 C ATOM 1603 NZ LYS A 94 9.187 0.429 12.584 1.00 54.45 N ATOM 0 H LYS A 94 5.570 1.184 9.667 1.00 55.34 H new ATOM 0 HA LYS A 94 4.266 0.509 12.056 1.00 33.15 H new ATOM 0 HB2 LYS A 94 6.746 0.649 11.758 1.00 53.22 H new ATOM 0 HB3 LYS A 94 6.634 2.393 11.627 1.00 53.22 H new ATOM 0 HG2 LYS A 94 5.711 2.497 13.961 1.00 70.31 H new ATOM 0 HG3 LYS A 94 5.859 0.755 14.088 1.00 70.31 H new ATOM 0 HD2 LYS A 94 8.215 2.651 13.653 1.00 23.54 H new ATOM 0 HD3 LYS A 94 7.713 2.046 15.220 1.00 23.54 H new ATOM 0 HE2 LYS A 94 9.479 0.605 14.669 1.00 45.33 H new ATOM 0 HE3 LYS A 94 8.074 -0.336 14.208 1.00 45.33 H new ATOM 0 HZ1 LYS A 94 9.355 -0.575 12.369 1.00 54.45 H new ATOM 0 HZ2 LYS A 94 8.501 0.818 11.906 1.00 54.45 H new ATOM 0 HZ3 LYS A 94 10.082 0.954 12.510 1.00 54.45 H new ATOM 1617 N GLU A 95 4.059 3.738 11.238 1.00 43.22 N ATOM 1618 CA GLU A 95 3.336 5.006 11.473 1.00 74.23 C ATOM 1619 C GLU A 95 1.808 4.781 11.378 1.00 41.10 C ATOM 1620 O GLU A 95 1.048 5.158 12.269 1.00 50.13 O ATOM 1621 CB GLU A 95 3.772 6.066 10.424 1.00 75.15 C ATOM 1622 CG GLU A 95 5.291 6.352 10.347 1.00 12.34 C ATOM 1623 CD GLU A 95 5.862 7.142 11.535 1.00 62.33 C ATOM 1624 OE1 GLU A 95 6.146 6.541 12.593 1.00 24.43 O ATOM 1625 OE2 GLU A 95 6.050 8.373 11.412 1.00 72.34 O ATOM 0 H GLU A 95 4.702 3.776 10.447 1.00 43.22 H new ATOM 0 HA GLU A 95 3.579 5.364 12.473 1.00 74.23 H new ATOM 0 HB2 GLU A 95 3.433 5.738 9.441 1.00 75.15 H new ATOM 0 HB3 GLU A 95 3.256 7.001 10.644 1.00 75.15 H new ATOM 0 HG2 GLU A 95 5.821 5.403 10.272 1.00 12.34 H new ATOM 0 HG3 GLU A 95 5.496 6.905 9.430 1.00 12.34 H new ATOM 1632 N PHE A 96 1.416 4.088 10.294 1.00 40.11 N ATOM 1633 CA PHE A 96 0.012 3.777 9.938 1.00 63.30 C ATOM 1634 C PHE A 96 -0.690 2.941 11.032 1.00 32.25 C ATOM 1635 O PHE A 96 -1.920 2.990 11.185 1.00 12.34 O ATOM 1636 CB PHE A 96 0.024 3.041 8.566 1.00 1.31 C ATOM 1637 CG PHE A 96 -1.324 2.809 7.888 1.00 73.21 C ATOM 1638 CD1 PHE A 96 -2.111 3.884 7.467 1.00 41.24 C ATOM 1639 CD2 PHE A 96 -1.783 1.515 7.629 1.00 23.24 C ATOM 1640 CE1 PHE A 96 -3.310 3.671 6.815 1.00 74.44 C ATOM 1641 CE2 PHE A 96 -2.981 1.306 6.981 1.00 41.11 C ATOM 1642 CZ PHE A 96 -3.742 2.380 6.576 1.00 20.43 C ATOM 0 H PHE A 96 2.084 3.716 9.619 1.00 40.11 H new ATOM 0 HA PHE A 96 -0.563 4.700 9.861 1.00 63.30 H new ATOM 0 HB2 PHE A 96 0.653 3.611 7.882 1.00 1.31 H new ATOM 0 HB3 PHE A 96 0.503 2.072 8.706 1.00 1.31 H new ATOM 0 HD1 PHE A 96 -1.778 4.894 7.654 1.00 41.24 H new ATOM 0 HD2 PHE A 96 -1.191 0.667 7.941 1.00 23.24 H new ATOM 0 HE1 PHE A 96 -3.908 4.511 6.493 1.00 74.44 H new ATOM 0 HE2 PHE A 96 -3.323 0.300 6.791 1.00 41.11 H new ATOM 0 HZ PHE A 96 -4.681 2.213 6.069 1.00 20.43 H new ATOM 1652 N SER A 97 0.115 2.192 11.796 1.00 22.05 N ATOM 1653 CA SER A 97 -0.359 1.422 12.947 1.00 75.12 C ATOM 1654 C SER A 97 -0.505 2.329 14.192 1.00 15.43 C ATOM 1655 O SER A 97 -1.588 2.407 14.781 1.00 53.32 O ATOM 1656 CB SER A 97 0.628 0.273 13.244 1.00 41.01 C ATOM 1657 OG SER A 97 0.878 -0.530 12.098 1.00 54.33 O ATOM 0 H SER A 97 1.118 2.104 11.630 1.00 22.05 H new ATOM 0 HA SER A 97 -1.339 1.007 12.709 1.00 75.12 H new ATOM 0 HB2 SER A 97 1.568 0.689 13.606 1.00 41.01 H new ATOM 0 HB3 SER A 97 0.227 -0.351 14.042 1.00 41.01 H new ATOM 0 HG SER A 97 1.383 -0.010 11.438 1.00 54.33 H new