USER MOD reduce.3.24.130724 H: found=0, std=0, add=1061, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 1061 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 25 HIS : no HD1:sc= 0.74 K(o=2.2,f=-13!) USER MOD Set 1.2: A 120 LYS NZ :NH3+ -114:sc= 1.44 (180deg=-0.0542) USER MOD Single : A 9 THR OG1 : rot 140:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ -114:sc= 0.761 (180deg=-0.136) USER MOD Single : A 23 GLN : amide:sc= 0 K(o=0,f=-0.55) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 ASN : amide:sc= 0.0738 X(o=0.074,f=0) USER MOD Single : A 30 LYS NZ :NH3+ -127:sc= 0.866 (180deg=-0.128) USER MOD Single : A 31 THR OG1 : rot 34:sc= 0.053 USER MOD Single : A 34 THR OG1 : rot 170:sc= 0.00146 USER MOD Single : A 35 LYS NZ :NH3+ -133:sc= -0.0927 (180deg=-2.4!) USER MOD Single : A 37 LYS NZ :NH3+ -155:sc= 1.1 (180deg=0.00438) USER MOD Single : A 39 LYS NZ :NH3+ 174:sc= -0.0118 (180deg=-0.0692) USER MOD Single : A 41 LYS NZ :NH3+ 163:sc= -0.0583 (180deg=-0.363) USER MOD Single : A 46 LYS NZ :NH3+ -156:sc= 0.87 (180deg=0.37) USER MOD Single : A 49 LYS NZ :NH3+ 169:sc= -0.0108 (180deg=-0.141) USER MOD Single : A 50 GLN : amide:sc= -0.24 X(o=-0.24,f=-0.054) USER MOD Single : A 67 LYS NZ :NH3+ -174:sc= 0.28 (180deg=0.265) USER MOD Single : A 72 TYR OH : rot -96:sc= 0.226 USER MOD Single : A 74 GLN : amide:sc= 0.839 K(o=0.84,f=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 SER OG : rot 140:sc= 0.0272 USER MOD Single : A 87 GLN : amide:sc= 0 X(o=0,f=-0.29) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ -166:sc= 1.15 (180deg=0.754) USER MOD Single : A 100 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0749) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 LYS NZ :NH3+ 170:sc= 0.205 (180deg=0.118) USER MOD Single : A 104 TYR OH : rot 180:sc= 0 USER MOD Single : A 107 TYR OH : rot 180:sc= 0 USER MOD Single : A 108 THR OG1 : rot 180:sc= 0 USER MOD Single : A 109 SER OG : rot -35:sc= -0.584 USER MOD Single : A 111 ASN : amide:sc= -0.165 K(o=-0.17,f=-6.3!) USER MOD Single : A 116 LYS NZ :NH3+ -113:sc= 0.813 (180deg=-1.39!) USER MOD Single : A 117 LYS NZ :NH3+ -161:sc= 1.13 (180deg=0.619) USER MOD Single : A 118 LYS NZ :NH3+ 167:sc= 0.457 (180deg=0.354) USER MOD Single : A 125 LYS NZ :NH3+ 144:sc= 0.562 (180deg=-0.201) USER MOD Single : A 126 SER OG : rot -17:sc= 0.283 USER MOD Single : A 128 SER OG : rot -70:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 20 N GLY A 2 4.607 -1.780 13.564 1.00 62.40 N ATOM 21 CA GLY A 2 4.912 -1.795 12.135 1.00 52.44 C ATOM 22 C GLY A 2 3.709 -1.276 11.362 1.00 15.24 C ATOM 23 O GLY A 2 2.598 -1.219 11.915 1.00 63.45 O ATOM 0 HA2 GLY A 2 5.785 -1.176 11.931 1.00 52.44 H new ATOM 0 HA3 GLY A 2 5.157 -2.807 11.814 1.00 52.44 H new ATOM 27 N VAL A 3 3.907 -0.870 10.101 1.00 10.43 N ATOM 28 CA VAL A 3 2.843 -0.249 9.274 1.00 12.12 C ATOM 29 C VAL A 3 2.931 -0.795 7.843 1.00 20.24 C ATOM 30 O VAL A 3 3.980 -0.709 7.220 1.00 31.55 O ATOM 31 CB VAL A 3 2.969 1.330 9.275 1.00 21.42 C ATOM 32 CG1 VAL A 3 1.941 1.996 8.326 1.00 65.31 C ATOM 33 CG2 VAL A 3 2.838 1.900 10.715 1.00 31.12 C ATOM 0 H VAL A 3 4.802 -0.958 9.620 1.00 10.43 H new ATOM 0 HA VAL A 3 1.872 -0.502 9.700 1.00 12.12 H new ATOM 0 HB VAL A 3 3.963 1.571 8.898 1.00 21.42 H new ATOM 0 HG11 VAL A 3 2.064 3.079 8.359 1.00 65.31 H new ATOM 0 HG12 VAL A 3 2.104 1.643 7.308 1.00 65.31 H new ATOM 0 HG13 VAL A 3 0.931 1.736 8.643 1.00 65.31 H new ATOM 0 HG21 VAL A 3 2.928 2.986 10.686 1.00 31.12 H new ATOM 0 HG22 VAL A 3 1.866 1.628 11.127 1.00 31.12 H new ATOM 0 HG23 VAL A 3 3.627 1.487 11.343 1.00 31.12 H new ATOM 43 N VAL A 4 1.831 -1.371 7.327 1.00 73.52 N ATOM 44 CA VAL A 4 1.802 -1.961 5.979 1.00 41.13 C ATOM 45 C VAL A 4 0.955 -1.082 5.041 1.00 25.12 C ATOM 46 O VAL A 4 -0.264 -0.975 5.207 1.00 73.41 O ATOM 47 CB VAL A 4 1.237 -3.429 6.018 1.00 43.05 C ATOM 48 CG1 VAL A 4 1.321 -4.105 4.633 1.00 14.15 C ATOM 49 CG2 VAL A 4 1.966 -4.277 7.083 1.00 23.35 C ATOM 0 H VAL A 4 0.945 -1.440 7.828 1.00 73.52 H new ATOM 0 HA VAL A 4 2.823 -2.006 5.599 1.00 41.13 H new ATOM 0 HB VAL A 4 0.185 -3.365 6.294 1.00 43.05 H new ATOM 0 HG11 VAL A 4 0.922 -5.117 4.697 1.00 14.15 H new ATOM 0 HG12 VAL A 4 0.739 -3.531 3.912 1.00 14.15 H new ATOM 0 HG13 VAL A 4 2.361 -4.145 4.310 1.00 14.15 H new ATOM 0 HG21 VAL A 4 1.555 -5.287 7.088 1.00 23.35 H new ATOM 0 HG22 VAL A 4 3.030 -4.319 6.849 1.00 23.35 H new ATOM 0 HG23 VAL A 4 1.828 -3.825 8.065 1.00 23.35 H new ATOM 59 N ILE A 5 1.631 -0.455 4.071 1.00 53.13 N ATOM 60 CA ILE A 5 1.019 0.405 3.058 1.00 42.14 C ATOM 61 C ILE A 5 0.807 -0.426 1.767 1.00 75.31 C ATOM 62 O ILE A 5 1.761 -0.742 1.072 1.00 50.21 O ATOM 63 CB ILE A 5 1.934 1.664 2.732 1.00 44.32 C ATOM 64 CG1 ILE A 5 2.305 2.498 4.017 1.00 21.22 C ATOM 65 CG2 ILE A 5 1.273 2.566 1.665 1.00 53.03 C ATOM 66 CD1 ILE A 5 3.457 1.951 4.856 1.00 64.32 C ATOM 0 H ILE A 5 2.643 -0.535 3.969 1.00 53.13 H new ATOM 0 HA ILE A 5 0.068 0.774 3.442 1.00 42.14 H new ATOM 0 HB ILE A 5 2.869 1.273 2.330 1.00 44.32 H new ATOM 0 HG12 ILE A 5 2.556 3.513 3.708 1.00 21.22 H new ATOM 0 HG13 ILE A 5 1.420 2.567 4.650 1.00 21.22 H new ATOM 0 HG21 ILE A 5 1.919 3.420 1.460 1.00 53.03 H new ATOM 0 HG22 ILE A 5 1.123 1.996 0.748 1.00 53.03 H new ATOM 0 HG23 ILE A 5 0.310 2.920 2.033 1.00 53.03 H new ATOM 0 HD11 ILE A 5 3.625 2.603 5.713 1.00 64.32 H new ATOM 0 HD12 ILE A 5 3.209 0.949 5.206 1.00 64.32 H new ATOM 0 HD13 ILE A 5 4.362 1.910 4.249 1.00 64.32 H new ATOM 78 N LEU A 6 -0.449 -0.783 1.471 1.00 4.12 N ATOM 79 CA LEU A 6 -0.825 -1.548 0.270 1.00 34.15 C ATOM 80 C LEU A 6 -1.335 -0.599 -0.813 1.00 1.10 C ATOM 81 O LEU A 6 -2.459 -0.106 -0.734 1.00 73.51 O ATOM 82 CB LEU A 6 -1.932 -2.557 0.647 1.00 65.44 C ATOM 83 CG LEU A 6 -1.581 -3.493 1.826 1.00 72.43 C ATOM 84 CD1 LEU A 6 -2.765 -4.375 2.209 1.00 63.00 C ATOM 85 CD2 LEU A 6 -0.342 -4.327 1.502 1.00 42.44 C ATOM 0 H LEU A 6 -1.244 -0.547 2.065 1.00 4.12 H new ATOM 0 HA LEU A 6 0.045 -2.081 -0.114 1.00 34.15 H new ATOM 0 HB2 LEU A 6 -2.838 -2.005 0.897 1.00 65.44 H new ATOM 0 HB3 LEU A 6 -2.161 -3.167 -0.227 1.00 65.44 H new ATOM 0 HG LEU A 6 -1.350 -2.873 2.692 1.00 72.43 H new ATOM 0 HD11 LEU A 6 -2.484 -5.021 3.041 1.00 63.00 H new ATOM 0 HD12 LEU A 6 -3.606 -3.747 2.505 1.00 63.00 H new ATOM 0 HD13 LEU A 6 -3.053 -4.988 1.355 1.00 63.00 H new ATOM 0 HD21 LEU A 6 -0.112 -4.979 2.345 1.00 42.44 H new ATOM 0 HD22 LEU A 6 -0.533 -4.933 0.616 1.00 42.44 H new ATOM 0 HD23 LEU A 6 0.503 -3.665 1.314 1.00 42.44 H new ATOM 97 N VAL A 7 -0.502 -0.344 -1.818 1.00 53.23 N ATOM 98 CA VAL A 7 -0.835 0.571 -2.907 1.00 23.13 C ATOM 99 C VAL A 7 -1.340 -0.225 -4.127 1.00 41.53 C ATOM 100 O VAL A 7 -0.557 -0.877 -4.823 1.00 30.22 O ATOM 101 CB VAL A 7 0.392 1.473 -3.307 1.00 45.04 C ATOM 102 CG1 VAL A 7 -0.062 2.618 -4.240 1.00 21.45 C ATOM 103 CG2 VAL A 7 1.111 2.029 -2.055 1.00 3.41 C ATOM 0 H VAL A 7 0.423 -0.766 -1.901 1.00 53.23 H new ATOM 0 HA VAL A 7 -1.626 1.234 -2.558 1.00 23.13 H new ATOM 0 HB VAL A 7 1.107 0.853 -3.847 1.00 45.04 H new ATOM 0 HG11 VAL A 7 0.798 3.232 -4.507 1.00 21.45 H new ATOM 0 HG12 VAL A 7 -0.503 2.198 -5.144 1.00 21.45 H new ATOM 0 HG13 VAL A 7 -0.802 3.233 -3.728 1.00 21.45 H new ATOM 0 HG21 VAL A 7 1.954 2.648 -2.364 1.00 3.41 H new ATOM 0 HG22 VAL A 7 0.414 2.631 -1.472 1.00 3.41 H new ATOM 0 HG23 VAL A 7 1.473 1.201 -1.446 1.00 3.41 H new ATOM 113 N LEU A 8 -2.666 -0.158 -4.368 1.00 21.35 N ATOM 114 CA LEU A 8 -3.324 -0.820 -5.503 1.00 24.52 C ATOM 115 C LEU A 8 -3.267 0.123 -6.712 1.00 1.14 C ATOM 116 O LEU A 8 -4.019 1.087 -6.793 1.00 11.34 O ATOM 117 CB LEU A 8 -4.807 -1.180 -5.169 1.00 4.50 C ATOM 118 CG LEU A 8 -5.053 -2.356 -4.158 1.00 63.44 C ATOM 119 CD1 LEU A 8 -4.489 -2.059 -2.752 1.00 25.42 C ATOM 120 CD2 LEU A 8 -6.556 -2.704 -4.088 1.00 52.41 C ATOM 0 H LEU A 8 -3.311 0.362 -3.773 1.00 21.35 H new ATOM 0 HA LEU A 8 -2.805 -1.753 -5.724 1.00 24.52 H new ATOM 0 HB2 LEU A 8 -5.289 -0.287 -4.771 1.00 4.50 H new ATOM 0 HB3 LEU A 8 -5.313 -1.427 -6.103 1.00 4.50 H new ATOM 0 HG LEU A 8 -4.508 -3.221 -4.535 1.00 63.44 H new ATOM 0 HD11 LEU A 8 -4.687 -2.905 -2.094 1.00 25.42 H new ATOM 0 HD12 LEU A 8 -3.413 -1.895 -2.819 1.00 25.42 H new ATOM 0 HD13 LEU A 8 -4.968 -1.166 -2.349 1.00 25.42 H new ATOM 0 HD21 LEU A 8 -6.708 -3.521 -3.383 1.00 52.41 H new ATOM 0 HD22 LEU A 8 -7.117 -1.830 -3.757 1.00 52.41 H new ATOM 0 HD23 LEU A 8 -6.906 -3.007 -5.075 1.00 52.41 H new ATOM 132 N THR A 9 -2.365 -0.174 -7.647 1.00 31.21 N ATOM 133 CA THR A 9 -2.106 0.650 -8.830 1.00 25.50 C ATOM 134 C THR A 9 -2.659 -0.041 -10.082 1.00 11.22 C ATOM 135 O THR A 9 -2.879 -1.259 -10.086 1.00 42.05 O ATOM 136 CB THR A 9 -0.565 0.891 -9.001 1.00 11.20 C ATOM 137 OG1 THR A 9 0.123 -0.365 -9.121 1.00 74.40 O ATOM 138 CG2 THR A 9 0.042 1.677 -7.826 1.00 42.34 C ATOM 0 H THR A 9 -1.782 -1.010 -7.604 1.00 31.21 H new ATOM 0 HA THR A 9 -2.603 1.611 -8.698 1.00 25.50 H new ATOM 0 HB THR A 9 -0.440 1.484 -9.907 1.00 11.20 H new ATOM 0 HG1 THR A 9 0.826 -0.289 -9.800 1.00 74.40 H new ATOM 0 HG21 THR A 9 1.110 1.816 -7.994 1.00 42.34 H new ATOM 0 HG22 THR A 9 -0.443 2.650 -7.750 1.00 42.34 H new ATOM 0 HG23 THR A 9 -0.110 1.122 -6.900 1.00 42.34 H new ATOM 146 N GLY A 10 -2.890 0.755 -11.134 1.00 35.22 N ATOM 147 CA GLY A 10 -3.310 0.227 -12.431 1.00 2.10 C ATOM 148 C GLY A 10 -2.150 -0.324 -13.247 1.00 3.22 C ATOM 149 O GLY A 10 -2.359 -1.128 -14.157 1.00 11.05 O ATOM 0 H GLY A 10 -2.792 1.770 -11.108 1.00 35.22 H new ATOM 0 HA2 GLY A 10 -4.046 -0.562 -12.276 1.00 2.10 H new ATOM 0 HA3 GLY A 10 -3.804 1.017 -12.997 1.00 2.10 H new ATOM 153 N ASP A 11 -0.911 0.089 -12.903 1.00 34.01 N ATOM 154 CA ASP A 11 0.281 -0.224 -13.712 1.00 52.13 C ATOM 155 C ASP A 11 1.568 -0.100 -12.870 1.00 4.12 C ATOM 156 O ASP A 11 1.610 0.663 -11.894 1.00 13.40 O ATOM 157 CB ASP A 11 0.324 0.722 -14.948 1.00 32.41 C ATOM 158 CG ASP A 11 1.368 0.310 -16.000 1.00 4.11 C ATOM 159 OD1 ASP A 11 1.058 -0.525 -16.873 1.00 22.13 O ATOM 160 OD2 ASP A 11 2.500 0.814 -15.957 1.00 11.13 O ATOM 0 H ASP A 11 -0.713 0.641 -12.068 1.00 34.01 H new ATOM 0 HA ASP A 11 0.220 -1.256 -14.057 1.00 52.13 H new ATOM 0 HB2 ASP A 11 -0.661 0.743 -15.414 1.00 32.41 H new ATOM 0 HB3 ASP A 11 0.539 1.736 -14.612 1.00 32.41 H new ATOM 165 N GLU A 12 2.620 -0.846 -13.282 1.00 35.12 N ATOM 166 CA GLU A 12 3.908 -0.924 -12.556 1.00 51.44 C ATOM 167 C GLU A 12 4.746 0.349 -12.706 1.00 2.15 C ATOM 168 O GLU A 12 5.579 0.594 -11.858 1.00 31.11 O ATOM 169 CB GLU A 12 4.756 -2.165 -12.983 1.00 14.33 C ATOM 170 CG GLU A 12 4.260 -3.508 -12.418 1.00 42.22 C ATOM 171 CD GLU A 12 2.817 -3.842 -12.820 1.00 24.45 C ATOM 172 OE1 GLU A 12 2.580 -4.111 -14.017 1.00 52.13 O ATOM 173 OE2 GLU A 12 1.912 -3.816 -11.959 1.00 4.52 O ATOM 0 H GLU A 12 2.598 -1.412 -14.130 1.00 35.12 H new ATOM 0 HA GLU A 12 3.640 -1.033 -11.505 1.00 51.44 H new ATOM 0 HB2 GLU A 12 4.765 -2.225 -14.071 1.00 14.33 H new ATOM 0 HB3 GLU A 12 5.787 -2.011 -12.664 1.00 14.33 H new ATOM 0 HG2 GLU A 12 4.919 -4.305 -12.763 1.00 42.22 H new ATOM 0 HG3 GLU A 12 4.330 -3.485 -11.331 1.00 42.22 H new ATOM 180 N ARG A 13 4.563 1.120 -13.803 1.00 23.13 N ATOM 181 CA ARG A 13 5.266 2.416 -13.995 1.00 31.41 C ATOM 182 C ARG A 13 4.792 3.451 -12.952 1.00 40.13 C ATOM 183 O ARG A 13 5.567 4.323 -12.532 1.00 3.11 O ATOM 184 CB ARG A 13 5.062 2.972 -15.433 1.00 12.51 C ATOM 185 CG ARG A 13 5.501 2.005 -16.587 1.00 60.22 C ATOM 186 CD ARG A 13 6.593 2.579 -17.505 1.00 34.30 C ATOM 187 NE ARG A 13 7.889 2.753 -16.819 1.00 1.24 N ATOM 188 CZ ARG A 13 8.966 3.361 -17.344 1.00 0.32 C ATOM 189 NH1 ARG A 13 8.935 3.885 -18.572 1.00 44.00 N ATOM 190 NH2 ARG A 13 10.089 3.416 -16.643 1.00 63.14 N ATOM 0 H ARG A 13 3.937 0.870 -14.568 1.00 23.13 H new ATOM 0 HA ARG A 13 6.331 2.233 -13.855 1.00 31.41 H new ATOM 0 HB2 ARG A 13 4.008 3.216 -15.566 1.00 12.51 H new ATOM 0 HB3 ARG A 13 5.620 3.904 -15.528 1.00 12.51 H new ATOM 0 HG2 ARG A 13 5.862 1.074 -16.149 1.00 60.22 H new ATOM 0 HG3 ARG A 13 4.628 1.756 -17.190 1.00 60.22 H new ATOM 0 HD2 ARG A 13 6.727 1.916 -18.360 1.00 34.30 H new ATOM 0 HD3 ARG A 13 6.263 3.541 -17.896 1.00 34.30 H new ATOM 0 HE ARG A 13 7.973 2.383 -15.872 1.00 1.24 H new ATOM 0 HH11 ARG A 13 8.083 3.828 -19.130 1.00 44.00 H new ATOM 0 HH12 ARG A 13 9.764 4.342 -18.952 1.00 44.00 H new ATOM 0 HH21 ARG A 13 10.131 2.999 -15.713 1.00 63.14 H new ATOM 0 HH22 ARG A 13 10.912 3.875 -17.033 1.00 63.14 H new ATOM 204 N ILE A 14 3.507 3.334 -12.537 1.00 1.21 N ATOM 205 CA ILE A 14 2.940 4.143 -11.443 1.00 72.23 C ATOM 206 C ILE A 14 3.603 3.701 -10.123 1.00 4.05 C ATOM 207 O ILE A 14 4.228 4.505 -9.436 1.00 61.52 O ATOM 208 CB ILE A 14 1.372 3.981 -11.334 1.00 13.41 C ATOM 209 CG1 ILE A 14 0.674 4.307 -12.697 1.00 1.42 C ATOM 210 CG2 ILE A 14 0.798 4.856 -10.184 1.00 14.04 C ATOM 211 CD1 ILE A 14 -0.835 4.093 -12.704 1.00 0.21 C ATOM 0 H ILE A 14 2.843 2.680 -12.951 1.00 1.21 H new ATOM 0 HA ILE A 14 3.139 5.195 -11.648 1.00 72.23 H new ATOM 0 HB ILE A 14 1.160 2.939 -11.095 1.00 13.41 H new ATOM 0 HG12 ILE A 14 0.882 5.345 -12.958 1.00 1.42 H new ATOM 0 HG13 ILE A 14 1.119 3.688 -13.476 1.00 1.42 H new ATOM 0 HG21 ILE A 14 -0.283 4.725 -10.132 1.00 14.04 H new ATOM 0 HG22 ILE A 14 1.246 4.553 -9.238 1.00 14.04 H new ATOM 0 HG23 ILE A 14 1.028 5.904 -10.375 1.00 14.04 H new ATOM 0 HD11 ILE A 14 -1.233 4.343 -13.687 1.00 0.21 H new ATOM 0 HD12 ILE A 14 -1.056 3.050 -12.478 1.00 0.21 H new ATOM 0 HD13 ILE A 14 -1.297 4.733 -11.952 1.00 0.21 H new ATOM 223 N ALA A 15 3.520 2.373 -9.866 1.00 42.54 N ATOM 224 CA ALA A 15 4.099 1.700 -8.677 1.00 53.03 C ATOM 225 C ALA A 15 5.635 1.904 -8.568 1.00 14.10 C ATOM 226 O ALA A 15 6.199 1.847 -7.481 1.00 11.01 O ATOM 227 CB ALA A 15 3.751 0.205 -8.723 1.00 13.11 C ATOM 0 H ALA A 15 3.039 1.727 -10.492 1.00 42.54 H new ATOM 0 HA ALA A 15 3.664 2.155 -7.787 1.00 53.03 H new ATOM 0 HB1 ALA A 15 4.174 -0.294 -7.851 1.00 13.11 H new ATOM 0 HB2 ALA A 15 2.668 0.083 -8.720 1.00 13.11 H new ATOM 0 HB3 ALA A 15 4.164 -0.237 -9.630 1.00 13.11 H new ATOM 233 N GLU A 16 6.269 2.109 -9.731 1.00 55.44 N ATOM 234 CA GLU A 16 7.714 2.352 -9.894 1.00 64.33 C ATOM 235 C GLU A 16 8.108 3.709 -9.312 1.00 62.05 C ATOM 236 O GLU A 16 9.047 3.793 -8.525 1.00 52.12 O ATOM 237 CB GLU A 16 8.026 2.297 -11.404 1.00 71.22 C ATOM 238 CG GLU A 16 9.446 2.665 -11.840 1.00 35.12 C ATOM 239 CD GLU A 16 9.570 2.677 -13.366 1.00 63.10 C ATOM 240 OE1 GLU A 16 8.997 3.583 -13.992 1.00 41.54 O ATOM 241 OE2 GLU A 16 10.209 1.778 -13.952 1.00 72.34 O ATOM 0 H GLU A 16 5.771 2.111 -10.621 1.00 55.44 H new ATOM 0 HA GLU A 16 8.286 1.595 -9.358 1.00 64.33 H new ATOM 0 HB2 GLU A 16 7.816 1.287 -11.755 1.00 71.22 H new ATOM 0 HB3 GLU A 16 7.332 2.963 -11.917 1.00 71.22 H new ATOM 0 HG2 GLU A 16 9.709 3.646 -11.443 1.00 35.12 H new ATOM 0 HG3 GLU A 16 10.155 1.951 -11.420 1.00 35.12 H new ATOM 248 N GLU A 17 7.360 4.756 -9.712 1.00 42.33 N ATOM 249 CA GLU A 17 7.551 6.134 -9.219 1.00 63.50 C ATOM 250 C GLU A 17 7.346 6.221 -7.702 1.00 62.31 C ATOM 251 O GLU A 17 7.991 7.027 -7.015 1.00 62.11 O ATOM 252 CB GLU A 17 6.578 7.094 -9.938 1.00 31.14 C ATOM 253 CG GLU A 17 6.930 7.355 -11.407 1.00 51.33 C ATOM 254 CD GLU A 17 8.289 8.050 -11.578 1.00 53.00 C ATOM 255 OE1 GLU A 17 8.485 9.149 -11.008 1.00 31.34 O ATOM 256 OE2 GLU A 17 9.171 7.507 -12.270 1.00 52.42 O ATOM 0 H GLU A 17 6.603 4.669 -10.390 1.00 42.33 H new ATOM 0 HA GLU A 17 8.578 6.428 -9.437 1.00 63.50 H new ATOM 0 HB2 GLU A 17 5.571 6.681 -9.884 1.00 31.14 H new ATOM 0 HB3 GLU A 17 6.562 8.045 -9.405 1.00 31.14 H new ATOM 0 HG2 GLU A 17 6.940 6.408 -11.947 1.00 51.33 H new ATOM 0 HG3 GLU A 17 6.152 7.971 -11.858 1.00 51.33 H new ATOM 263 N LEU A 18 6.433 5.379 -7.216 1.00 72.23 N ATOM 264 CA LEU A 18 6.110 5.257 -5.802 1.00 61.13 C ATOM 265 C LEU A 18 7.262 4.552 -5.051 1.00 71.52 C ATOM 266 O LEU A 18 7.689 5.027 -4.005 1.00 33.45 O ATOM 267 CB LEU A 18 4.770 4.494 -5.666 1.00 13.51 C ATOM 268 CG LEU A 18 3.567 5.117 -6.443 1.00 40.22 C ATOM 269 CD1 LEU A 18 2.290 4.289 -6.271 1.00 32.53 C ATOM 270 CD2 LEU A 18 3.341 6.590 -6.062 1.00 75.44 C ATOM 0 H LEU A 18 5.889 4.752 -7.809 1.00 72.23 H new ATOM 0 HA LEU A 18 5.994 6.242 -5.349 1.00 61.13 H new ATOM 0 HB2 LEU A 18 4.916 3.471 -6.014 1.00 13.51 H new ATOM 0 HB3 LEU A 18 4.509 4.437 -4.609 1.00 13.51 H new ATOM 0 HG LEU A 18 3.827 5.095 -7.501 1.00 40.22 H new ATOM 0 HD11 LEU A 18 1.476 4.755 -6.827 1.00 32.53 H new ATOM 0 HD12 LEU A 18 2.457 3.280 -6.649 1.00 32.53 H new ATOM 0 HD13 LEU A 18 2.027 4.241 -5.214 1.00 32.53 H new ATOM 0 HD21 LEU A 18 2.495 6.986 -6.625 1.00 75.44 H new ATOM 0 HD22 LEU A 18 3.132 6.662 -4.995 1.00 75.44 H new ATOM 0 HD23 LEU A 18 4.235 7.168 -6.296 1.00 75.44 H new ATOM 282 N ARG A 19 7.794 3.464 -5.663 1.00 44.20 N ATOM 283 CA ARG A 19 8.937 2.664 -5.137 1.00 72.34 C ATOM 284 C ARG A 19 10.188 3.543 -4.960 1.00 42.31 C ATOM 285 O ARG A 19 10.896 3.436 -3.948 1.00 72.30 O ATOM 286 CB ARG A 19 9.202 1.447 -6.092 1.00 63.22 C ATOM 287 CG ARG A 19 10.490 0.597 -5.810 1.00 21.51 C ATOM 288 CD ARG A 19 11.706 1.009 -6.674 1.00 23.13 C ATOM 289 NE ARG A 19 11.456 0.769 -8.115 1.00 71.54 N ATOM 290 CZ ARG A 19 12.146 1.302 -9.144 1.00 31.04 C ATOM 291 NH1 ARG A 19 13.155 2.148 -8.940 1.00 35.42 N ATOM 292 NH2 ARG A 19 11.831 0.950 -10.388 1.00 63.33 N ATOM 0 H ARG A 19 7.437 3.110 -6.550 1.00 44.20 H new ATOM 0 HA ARG A 19 8.686 2.276 -4.150 1.00 72.34 H new ATOM 0 HB2 ARG A 19 8.339 0.783 -6.044 1.00 63.22 H new ATOM 0 HB3 ARG A 19 9.259 1.822 -7.114 1.00 63.22 H new ATOM 0 HG2 ARG A 19 10.754 0.692 -4.757 1.00 21.51 H new ATOM 0 HG3 ARG A 19 10.267 -0.455 -5.989 1.00 21.51 H new ATOM 0 HD2 ARG A 19 11.927 2.064 -6.513 1.00 23.13 H new ATOM 0 HD3 ARG A 19 12.585 0.447 -6.358 1.00 23.13 H new ATOM 0 HE ARG A 19 10.688 0.140 -8.351 1.00 71.54 H new ATOM 0 HH11 ARG A 19 13.420 2.405 -7.989 1.00 35.42 H new ATOM 0 HH12 ARG A 19 13.662 2.538 -9.734 1.00 35.42 H new ATOM 0 HH21 ARG A 19 11.076 0.285 -10.554 1.00 63.33 H new ATOM 0 HH22 ARG A 19 12.345 1.345 -11.175 1.00 63.33 H new ATOM 306 N LYS A 20 10.427 4.403 -5.970 1.00 72.30 N ATOM 307 CA LYS A 20 11.495 5.415 -5.955 1.00 10.52 C ATOM 308 C LYS A 20 11.324 6.324 -4.736 1.00 43.01 C ATOM 309 O LYS A 20 12.243 6.470 -3.930 1.00 55.23 O ATOM 310 CB LYS A 20 11.426 6.280 -7.240 1.00 24.40 C ATOM 311 CG LYS A 20 11.721 5.538 -8.561 1.00 2.21 C ATOM 312 CD LYS A 20 11.337 6.386 -9.802 1.00 25.41 C ATOM 313 CE LYS A 20 11.997 7.778 -9.823 1.00 32.21 C ATOM 314 NZ LYS A 20 11.549 8.592 -10.983 1.00 75.01 N ATOM 0 H LYS A 20 9.876 4.412 -6.828 1.00 72.30 H new ATOM 0 HA LYS A 20 12.459 4.908 -5.909 1.00 10.52 H new ATOM 0 HB2 LYS A 20 10.431 6.721 -7.306 1.00 24.40 H new ATOM 0 HB3 LYS A 20 12.134 7.103 -7.141 1.00 24.40 H new ATOM 0 HG2 LYS A 20 12.781 5.287 -8.607 1.00 2.21 H new ATOM 0 HG3 LYS A 20 11.170 4.598 -8.580 1.00 2.21 H new ATOM 0 HD2 LYS A 20 11.621 5.844 -10.704 1.00 25.41 H new ATOM 0 HD3 LYS A 20 10.254 6.506 -9.829 1.00 25.41 H new ATOM 0 HE2 LYS A 20 11.761 8.305 -8.898 1.00 32.21 H new ATOM 0 HE3 LYS A 20 13.081 7.664 -9.857 1.00 32.21 H new ATOM 0 HZ1 LYS A 20 12.352 8.755 -11.624 1.00 75.01 H new ATOM 0 HZ2 LYS A 20 10.797 8.086 -11.493 1.00 75.01 H new ATOM 0 HZ3 LYS A 20 11.184 9.506 -10.646 1.00 75.01 H new ATOM 328 N GLU A 21 10.094 6.866 -4.602 1.00 53.15 N ATOM 329 CA GLU A 21 9.766 7.879 -3.598 1.00 42.55 C ATOM 330 C GLU A 21 9.922 7.338 -2.167 1.00 23.34 C ATOM 331 O GLU A 21 10.306 8.086 -1.278 1.00 35.40 O ATOM 332 CB GLU A 21 8.328 8.419 -3.811 1.00 51.44 C ATOM 333 CG GLU A 21 7.989 9.661 -2.953 1.00 33.32 C ATOM 334 CD GLU A 21 8.936 10.851 -3.224 1.00 0.02 C ATOM 335 OE1 GLU A 21 8.837 11.466 -4.310 1.00 53.03 O ATOM 336 OE2 GLU A 21 9.786 11.173 -2.363 1.00 30.21 O ATOM 0 H GLU A 21 9.304 6.607 -5.193 1.00 53.15 H new ATOM 0 HA GLU A 21 10.474 8.698 -3.724 1.00 42.55 H new ATOM 0 HB2 GLU A 21 8.198 8.671 -4.864 1.00 51.44 H new ATOM 0 HB3 GLU A 21 7.616 7.626 -3.582 1.00 51.44 H new ATOM 0 HG2 GLU A 21 6.962 9.967 -3.154 1.00 33.32 H new ATOM 0 HG3 GLU A 21 8.042 9.393 -1.898 1.00 33.32 H new ATOM 343 N VAL A 22 9.628 6.033 -1.977 1.00 52.43 N ATOM 344 CA VAL A 22 9.753 5.363 -0.668 1.00 63.40 C ATOM 345 C VAL A 22 11.210 5.398 -0.174 1.00 61.43 C ATOM 346 O VAL A 22 11.466 5.754 0.969 1.00 43.22 O ATOM 347 CB VAL A 22 9.268 3.869 -0.724 1.00 30.13 C ATOM 348 CG1 VAL A 22 9.475 3.155 0.630 1.00 11.12 C ATOM 349 CG2 VAL A 22 7.796 3.769 -1.153 1.00 24.32 C ATOM 0 H VAL A 22 9.300 5.420 -2.723 1.00 52.43 H new ATOM 0 HA VAL A 22 9.114 5.910 0.026 1.00 63.40 H new ATOM 0 HB VAL A 22 9.879 3.367 -1.474 1.00 30.13 H new ATOM 0 HG11 VAL A 22 9.129 2.124 0.554 1.00 11.12 H new ATOM 0 HG12 VAL A 22 10.534 3.164 0.888 1.00 11.12 H new ATOM 0 HG13 VAL A 22 8.909 3.672 1.404 1.00 11.12 H new ATOM 0 HG21 VAL A 22 7.495 2.722 -1.181 1.00 24.32 H new ATOM 0 HG22 VAL A 22 7.172 4.307 -0.440 1.00 24.32 H new ATOM 0 HG23 VAL A 22 7.675 4.207 -2.144 1.00 24.32 H new ATOM 359 N GLN A 23 12.143 5.042 -1.077 1.00 12.15 N ATOM 360 CA GLN A 23 13.588 5.025 -0.777 1.00 5.53 C ATOM 361 C GLN A 23 14.112 6.458 -0.547 1.00 1.24 C ATOM 362 O GLN A 23 14.943 6.696 0.332 1.00 12.41 O ATOM 363 CB GLN A 23 14.368 4.352 -1.936 1.00 12.31 C ATOM 364 CG GLN A 23 13.937 2.905 -2.252 1.00 43.13 C ATOM 365 CD GLN A 23 14.713 2.291 -3.424 1.00 63.54 C ATOM 366 OE1 GLN A 23 15.154 2.996 -4.337 1.00 23.40 O ATOM 367 NE2 GLN A 23 14.885 0.979 -3.418 1.00 71.14 N ATOM 0 H GLN A 23 11.918 4.759 -2.031 1.00 12.15 H new ATOM 0 HA GLN A 23 13.743 4.449 0.135 1.00 5.53 H new ATOM 0 HB2 GLN A 23 14.248 4.956 -2.835 1.00 12.31 H new ATOM 0 HB3 GLN A 23 15.430 4.354 -1.690 1.00 12.31 H new ATOM 0 HG2 GLN A 23 14.080 2.287 -1.365 1.00 43.13 H new ATOM 0 HG3 GLN A 23 12.872 2.891 -2.482 1.00 43.13 H new ATOM 0 HE21 GLN A 23 14.511 0.419 -2.652 1.00 71.14 H new ATOM 0 HE22 GLN A 23 15.392 0.528 -4.179 1.00 71.14 H new ATOM 376 N LYS A 24 13.593 7.401 -1.358 1.00 0.21 N ATOM 377 CA LYS A 24 13.967 8.831 -1.306 1.00 74.32 C ATOM 378 C LYS A 24 13.377 9.530 -0.066 1.00 1.41 C ATOM 379 O LYS A 24 13.877 10.580 0.354 1.00 50.21 O ATOM 380 CB LYS A 24 13.492 9.545 -2.608 1.00 24.00 C ATOM 381 CG LYS A 24 14.160 9.026 -3.910 1.00 75.45 C ATOM 382 CD LYS A 24 15.689 9.270 -3.955 1.00 12.04 C ATOM 383 CE LYS A 24 16.045 10.767 -3.983 1.00 14.21 C ATOM 384 NZ LYS A 24 17.515 10.993 -3.924 1.00 72.51 N ATOM 0 H LYS A 24 12.897 7.191 -2.074 1.00 0.21 H new ATOM 0 HA LYS A 24 15.052 8.895 -1.230 1.00 74.32 H new ATOM 0 HB2 LYS A 24 12.412 9.428 -2.698 1.00 24.00 H new ATOM 0 HB3 LYS A 24 13.690 10.613 -2.514 1.00 24.00 H new ATOM 0 HG2 LYS A 24 13.967 7.958 -4.008 1.00 75.45 H new ATOM 0 HG3 LYS A 24 13.696 9.514 -4.767 1.00 75.45 H new ATOM 0 HD2 LYS A 24 16.154 8.805 -3.085 1.00 12.04 H new ATOM 0 HD3 LYS A 24 16.106 8.784 -4.837 1.00 12.04 H new ATOM 0 HE2 LYS A 24 15.645 11.217 -4.892 1.00 14.21 H new ATOM 0 HE3 LYS A 24 15.567 11.269 -3.142 1.00 14.21 H new ATOM 0 HZ1 LYS A 24 17.710 12.014 -3.945 1.00 72.51 H new ATOM 0 HZ2 LYS A 24 17.894 10.586 -3.045 1.00 72.51 H new ATOM 0 HZ3 LYS A 24 17.969 10.537 -4.741 1.00 72.51 H new ATOM 398 N HIS A 25 12.294 8.958 0.489 1.00 53.34 N ATOM 399 CA HIS A 25 11.608 9.479 1.686 1.00 74.15 C ATOM 400 C HIS A 25 12.284 8.905 2.945 1.00 5.53 C ATOM 401 O HIS A 25 12.647 9.636 3.861 1.00 41.34 O ATOM 402 CB HIS A 25 10.098 9.103 1.618 1.00 53.50 C ATOM 403 CG HIS A 25 9.209 9.786 2.627 1.00 30.40 C ATOM 404 ND1 HIS A 25 8.630 11.004 2.357 1.00 44.31 N ATOM 405 CD2 HIS A 25 8.804 9.371 3.851 1.00 54.45 C ATOM 406 CE1 HIS A 25 7.893 11.296 3.412 1.00 51.12 C ATOM 407 NE2 HIS A 25 7.965 10.338 4.339 1.00 52.11 N ATOM 0 H HIS A 25 11.865 8.111 0.115 1.00 53.34 H new ATOM 0 HA HIS A 25 11.681 10.566 1.728 1.00 74.15 H new ATOM 0 HB2 HIS A 25 9.729 9.336 0.619 1.00 53.50 H new ATOM 0 HB3 HIS A 25 10.004 8.025 1.749 1.00 53.50 H new ATOM 0 HD2 HIS A 25 9.088 8.454 4.347 1.00 54.45 H new ATOM 0 HE1 HIS A 25 7.306 12.197 3.513 1.00 51.12 H new ATOM 0 HE2 HIS A 25 7.486 10.328 5.240 1.00 52.11 H new ATOM 415 N ASP A 26 12.490 7.586 2.943 1.00 72.01 N ATOM 416 CA ASP A 26 13.144 6.859 4.040 1.00 74.43 C ATOM 417 C ASP A 26 13.819 5.604 3.449 1.00 74.54 C ATOM 418 O ASP A 26 13.121 4.697 2.976 1.00 23.33 O ATOM 419 CB ASP A 26 12.115 6.471 5.131 1.00 50.34 C ATOM 420 CG ASP A 26 12.743 5.829 6.394 1.00 74.55 C ATOM 421 OD1 ASP A 26 13.017 4.614 6.394 1.00 41.35 O ATOM 422 OD2 ASP A 26 12.953 6.539 7.402 1.00 34.33 O ATOM 0 H ASP A 26 12.205 6.983 2.171 1.00 72.01 H new ATOM 0 HA ASP A 26 13.893 7.494 4.514 1.00 74.43 H new ATOM 0 HB2 ASP A 26 11.562 7.362 5.427 1.00 50.34 H new ATOM 0 HB3 ASP A 26 11.393 5.775 4.703 1.00 50.34 H new ATOM 427 N PRO A 27 15.186 5.520 3.475 1.00 25.12 N ATOM 428 CA PRO A 27 15.942 4.406 2.834 1.00 53.10 C ATOM 429 C PRO A 27 15.759 3.029 3.522 1.00 30.22 C ATOM 430 O PRO A 27 16.307 2.029 3.046 1.00 24.33 O ATOM 431 CB PRO A 27 17.429 4.887 2.920 1.00 50.30 C ATOM 432 CG PRO A 27 17.358 6.351 3.275 1.00 32.42 C ATOM 433 CD PRO A 27 16.113 6.492 4.115 1.00 62.02 C ATOM 0 HA PRO A 27 15.587 4.225 1.820 1.00 53.10 H new ATOM 0 HB2 PRO A 27 17.980 4.326 3.675 1.00 50.30 H new ATOM 0 HB3 PRO A 27 17.945 4.738 1.972 1.00 50.30 H new ATOM 0 HG2 PRO A 27 18.244 6.666 3.827 1.00 32.42 H new ATOM 0 HG3 PRO A 27 17.302 6.971 2.380 1.00 32.42 H new ATOM 0 HD2 PRO A 27 16.299 6.248 5.161 1.00 62.02 H new ATOM 0 HD3 PRO A 27 15.718 7.508 4.089 1.00 62.02 H new ATOM 441 N ASN A 28 14.999 2.979 4.638 1.00 50.22 N ATOM 442 CA ASN A 28 14.857 1.763 5.476 1.00 20.53 C ATOM 443 C ASN A 28 13.469 1.119 5.306 1.00 10.13 C ATOM 444 O ASN A 28 13.272 -0.034 5.718 1.00 22.11 O ATOM 445 CB ASN A 28 15.089 2.107 6.970 1.00 52.33 C ATOM 446 CG ASN A 28 16.318 2.993 7.215 1.00 65.34 C ATOM 447 OD1 ASN A 28 17.432 2.512 7.396 1.00 52.31 O ATOM 448 ND2 ASN A 28 16.114 4.299 7.202 1.00 32.10 N ATOM 0 H ASN A 28 14.467 3.777 4.985 1.00 50.22 H new ATOM 0 HA ASN A 28 15.610 1.048 5.145 1.00 20.53 H new ATOM 0 HB2 ASN A 28 14.205 2.612 7.359 1.00 52.33 H new ATOM 0 HB3 ASN A 28 15.201 1.181 7.534 1.00 52.33 H new ATOM 0 HD21 ASN A 28 16.895 4.939 7.345 1.00 32.10 H new ATOM 0 HD22 ASN A 28 15.175 4.667 7.049 1.00 32.10 H new ATOM 455 N VAL A 29 12.495 1.869 4.735 1.00 65.50 N ATOM 456 CA VAL A 29 11.140 1.338 4.475 1.00 21.34 C ATOM 457 C VAL A 29 11.186 0.330 3.318 1.00 15.20 C ATOM 458 O VAL A 29 11.678 0.657 2.232 1.00 0.52 O ATOM 459 CB VAL A 29 10.095 2.461 4.124 1.00 4.42 C ATOM 460 CG1 VAL A 29 8.684 1.871 3.852 1.00 2.51 C ATOM 461 CG2 VAL A 29 10.032 3.520 5.228 1.00 4.01 C ATOM 0 H VAL A 29 12.624 2.839 4.448 1.00 65.50 H new ATOM 0 HA VAL A 29 10.814 0.858 5.398 1.00 21.34 H new ATOM 0 HB VAL A 29 10.436 2.940 3.206 1.00 4.42 H new ATOM 0 HG11 VAL A 29 7.992 2.678 3.613 1.00 2.51 H new ATOM 0 HG12 VAL A 29 8.735 1.177 3.013 1.00 2.51 H new ATOM 0 HG13 VAL A 29 8.333 1.343 4.739 1.00 2.51 H new ATOM 0 HG21 VAL A 29 9.302 4.283 4.959 1.00 4.01 H new ATOM 0 HG22 VAL A 29 9.737 3.050 6.166 1.00 4.01 H new ATOM 0 HG23 VAL A 29 11.012 3.981 5.346 1.00 4.01 H new ATOM 471 N LYS A 30 10.670 -0.878 3.573 1.00 41.10 N ATOM 472 CA LYS A 30 10.594 -1.966 2.584 1.00 44.22 C ATOM 473 C LYS A 30 9.708 -1.585 1.373 1.00 34.12 C ATOM 474 O LYS A 30 8.749 -0.833 1.512 1.00 31.53 O ATOM 475 CB LYS A 30 10.039 -3.249 3.281 1.00 13.42 C ATOM 476 CG LYS A 30 11.080 -4.072 4.071 1.00 44.24 C ATOM 477 CD LYS A 30 12.155 -4.698 3.152 1.00 51.53 C ATOM 478 CE LYS A 30 11.551 -5.540 2.015 1.00 11.31 C ATOM 479 NZ LYS A 30 12.594 -6.174 1.170 1.00 73.54 N ATOM 0 H LYS A 30 10.288 -1.133 4.484 1.00 41.10 H new ATOM 0 HA LYS A 30 11.597 -2.153 2.200 1.00 44.22 H new ATOM 0 HB2 LYS A 30 9.239 -2.956 3.961 1.00 13.42 H new ATOM 0 HB3 LYS A 30 9.593 -3.891 2.522 1.00 13.42 H new ATOM 0 HG2 LYS A 30 11.564 -3.430 4.807 1.00 44.24 H new ATOM 0 HG3 LYS A 30 10.572 -4.863 4.622 1.00 44.24 H new ATOM 0 HD2 LYS A 30 12.767 -3.904 2.724 1.00 51.53 H new ATOM 0 HD3 LYS A 30 12.817 -5.325 3.750 1.00 51.53 H new ATOM 0 HE2 LYS A 30 10.910 -6.313 2.439 1.00 11.31 H new ATOM 0 HE3 LYS A 30 10.918 -4.907 1.393 1.00 11.31 H new ATOM 0 HZ1 LYS A 30 12.422 -5.940 0.172 1.00 73.54 H new ATOM 0 HZ2 LYS A 30 13.531 -5.821 1.452 1.00 73.54 H new ATOM 0 HZ3 LYS A 30 12.561 -7.206 1.294 1.00 73.54 H new ATOM 493 N THR A 31 10.072 -2.100 0.188 1.00 14.12 N ATOM 494 CA THR A 31 9.229 -2.053 -1.021 1.00 32.33 C ATOM 495 C THR A 31 9.123 -3.467 -1.594 1.00 3.11 C ATOM 496 O THR A 31 10.143 -4.148 -1.765 1.00 4.44 O ATOM 497 CB THR A 31 9.787 -1.093 -2.126 1.00 41.31 C ATOM 498 OG1 THR A 31 11.158 -1.414 -2.419 1.00 33.33 O ATOM 499 CG2 THR A 31 9.680 0.385 -1.727 1.00 13.44 C ATOM 0 H THR A 31 10.967 -2.565 0.039 1.00 14.12 H new ATOM 0 HA THR A 31 8.255 -1.663 -0.726 1.00 32.33 H new ATOM 0 HB THR A 31 9.172 -1.241 -3.014 1.00 41.31 H new ATOM 0 HG1 THR A 31 11.295 -2.380 -2.326 1.00 33.33 H new ATOM 0 HG21 THR A 31 10.080 1.008 -2.527 1.00 13.44 H new ATOM 0 HG22 THR A 31 8.634 0.641 -1.556 1.00 13.44 H new ATOM 0 HG23 THR A 31 10.249 0.557 -0.814 1.00 13.44 H new ATOM 507 N VAL A 32 7.884 -3.919 -1.849 1.00 12.43 N ATOM 508 CA VAL A 32 7.609 -5.217 -2.482 1.00 30.32 C ATOM 509 C VAL A 32 6.712 -4.966 -3.707 1.00 42.14 C ATOM 510 O VAL A 32 5.570 -4.559 -3.531 1.00 23.20 O ATOM 511 CB VAL A 32 6.895 -6.230 -1.504 1.00 71.14 C ATOM 512 CG1 VAL A 32 6.740 -7.620 -2.169 1.00 5.05 C ATOM 513 CG2 VAL A 32 7.652 -6.340 -0.164 1.00 74.13 C ATOM 0 H VAL A 32 7.042 -3.391 -1.620 1.00 12.43 H new ATOM 0 HA VAL A 32 8.559 -5.670 -2.767 1.00 30.32 H new ATOM 0 HB VAL A 32 5.899 -5.843 -1.291 1.00 71.14 H new ATOM 0 HG11 VAL A 32 6.246 -8.301 -1.477 1.00 5.05 H new ATOM 0 HG12 VAL A 32 6.141 -7.525 -3.075 1.00 5.05 H new ATOM 0 HG13 VAL A 32 7.724 -8.013 -2.424 1.00 5.05 H new ATOM 0 HG21 VAL A 32 7.136 -7.045 0.488 1.00 74.13 H new ATOM 0 HG22 VAL A 32 8.667 -6.692 -0.347 1.00 74.13 H new ATOM 0 HG23 VAL A 32 7.688 -5.362 0.315 1.00 74.13 H new ATOM 523 N PRO A 33 7.217 -5.165 -4.965 1.00 43.25 N ATOM 524 CA PRO A 33 6.411 -4.940 -6.191 1.00 33.21 C ATOM 525 C PRO A 33 5.315 -6.011 -6.395 1.00 35.31 C ATOM 526 O PRO A 33 5.242 -7.000 -5.650 1.00 31.32 O ATOM 527 CB PRO A 33 7.477 -4.987 -7.320 1.00 12.02 C ATOM 528 CG PRO A 33 8.555 -5.882 -6.778 1.00 34.30 C ATOM 529 CD PRO A 33 8.606 -5.601 -5.290 1.00 54.44 C ATOM 0 HA PRO A 33 5.854 -4.004 -6.156 1.00 33.21 H new ATOM 0 HB2 PRO A 33 7.059 -5.384 -8.245 1.00 12.02 H new ATOM 0 HB3 PRO A 33 7.862 -3.992 -7.545 1.00 12.02 H new ATOM 0 HG2 PRO A 33 8.328 -6.930 -6.972 1.00 34.30 H new ATOM 0 HG3 PRO A 33 9.514 -5.671 -7.250 1.00 34.30 H new ATOM 0 HD2 PRO A 33 8.890 -6.488 -4.724 1.00 54.44 H new ATOM 0 HD3 PRO A 33 9.335 -4.826 -5.054 1.00 54.44 H new ATOM 537 N THR A 34 4.490 -5.807 -7.447 1.00 42.20 N ATOM 538 CA THR A 34 3.390 -6.728 -7.821 1.00 33.14 C ATOM 539 C THR A 34 3.927 -8.115 -8.255 1.00 71.41 C ATOM 540 O THR A 34 3.165 -9.079 -8.348 1.00 20.41 O ATOM 541 CB THR A 34 2.521 -6.127 -8.982 1.00 25.00 C ATOM 542 OG1 THR A 34 3.316 -6.015 -10.170 1.00 62.22 O ATOM 543 CG2 THR A 34 1.946 -4.737 -8.634 1.00 50.24 C ATOM 0 H THR A 34 4.568 -4.997 -8.063 1.00 42.20 H new ATOM 0 HA THR A 34 2.771 -6.854 -6.933 1.00 33.14 H new ATOM 0 HB THR A 34 1.682 -6.806 -9.138 1.00 25.00 H new ATOM 0 HG1 THR A 34 2.739 -5.794 -10.930 1.00 62.22 H new ATOM 0 HG21 THR A 34 1.354 -4.368 -9.471 1.00 50.24 H new ATOM 0 HG22 THR A 34 1.314 -4.816 -7.749 1.00 50.24 H new ATOM 0 HG23 THR A 34 2.764 -4.044 -8.435 1.00 50.24 H new ATOM 551 N LYS A 35 5.238 -8.157 -8.557 1.00 14.22 N ATOM 552 CA LYS A 35 5.997 -9.379 -8.850 1.00 41.53 C ATOM 553 C LYS A 35 5.897 -10.396 -7.691 1.00 21.12 C ATOM 554 O LYS A 35 5.403 -11.512 -7.861 1.00 54.31 O ATOM 555 CB LYS A 35 7.494 -9.003 -9.043 1.00 4.23 C ATOM 556 CG LYS A 35 7.820 -8.071 -10.229 1.00 74.33 C ATOM 557 CD LYS A 35 9.268 -7.485 -10.180 1.00 74.20 C ATOM 558 CE LYS A 35 10.410 -8.535 -10.188 1.00 54.41 C ATOM 559 NZ LYS A 35 10.554 -9.290 -8.906 1.00 31.43 N ATOM 0 H LYS A 35 5.812 -7.315 -8.604 1.00 14.22 H new ATOM 0 HA LYS A 35 5.582 -9.832 -9.750 1.00 41.53 H new ATOM 0 HB2 LYS A 35 7.848 -8.528 -8.128 1.00 4.23 H new ATOM 0 HB3 LYS A 35 8.065 -9.924 -9.165 1.00 4.23 H new ATOM 0 HG2 LYS A 35 7.691 -8.622 -11.160 1.00 74.33 H new ATOM 0 HG3 LYS A 35 7.104 -7.249 -10.243 1.00 74.33 H new ATOM 0 HD2 LYS A 35 9.402 -6.820 -11.033 1.00 74.20 H new ATOM 0 HD3 LYS A 35 9.365 -6.874 -9.282 1.00 74.20 H new ATOM 0 HE2 LYS A 35 10.232 -9.244 -10.997 1.00 54.41 H new ATOM 0 HE3 LYS A 35 11.351 -8.031 -10.408 1.00 54.41 H new ATOM 0 HZ1 LYS A 35 11.556 -9.314 -8.628 1.00 31.43 H new ATOM 0 HZ2 LYS A 35 9.999 -8.820 -8.162 1.00 31.43 H new ATOM 0 HZ3 LYS A 35 10.207 -10.262 -9.035 1.00 31.43 H new ATOM 573 N ASP A 36 6.344 -9.948 -6.506 1.00 64.33 N ATOM 574 CA ASP A 36 6.643 -10.812 -5.352 1.00 54.33 C ATOM 575 C ASP A 36 5.430 -10.938 -4.416 1.00 71.53 C ATOM 576 O ASP A 36 5.497 -10.594 -3.233 1.00 21.44 O ATOM 577 CB ASP A 36 7.881 -10.237 -4.610 1.00 52.34 C ATOM 578 CG ASP A 36 9.163 -10.289 -5.457 1.00 41.45 C ATOM 579 OD1 ASP A 36 9.414 -9.348 -6.249 1.00 45.33 O ATOM 580 OD2 ASP A 36 9.924 -11.271 -5.334 1.00 52.12 O ATOM 0 H ASP A 36 6.510 -8.959 -6.320 1.00 64.33 H new ATOM 0 HA ASP A 36 6.868 -11.820 -5.701 1.00 54.33 H new ATOM 0 HB2 ASP A 36 7.681 -9.204 -4.326 1.00 52.34 H new ATOM 0 HB3 ASP A 36 8.038 -10.796 -3.688 1.00 52.34 H new ATOM 585 N LYS A 37 4.338 -11.498 -4.968 1.00 10.43 N ATOM 586 CA LYS A 37 3.022 -11.595 -4.293 1.00 23.31 C ATOM 587 C LYS A 37 3.076 -12.449 -3.013 1.00 12.33 C ATOM 588 O LYS A 37 2.454 -12.101 -2.006 1.00 42.23 O ATOM 589 CB LYS A 37 1.971 -12.173 -5.268 1.00 71.30 C ATOM 590 CG LYS A 37 1.757 -11.319 -6.530 1.00 52.11 C ATOM 591 CD LYS A 37 0.641 -11.864 -7.445 1.00 22.11 C ATOM 592 CE LYS A 37 0.477 -11.028 -8.718 1.00 74.12 C ATOM 593 NZ LYS A 37 0.303 -9.585 -8.417 1.00 72.21 N ATOM 0 H LYS A 37 4.340 -11.901 -5.905 1.00 10.43 H new ATOM 0 HA LYS A 37 2.738 -10.586 -3.995 1.00 23.31 H new ATOM 0 HB2 LYS A 37 2.279 -13.175 -5.567 1.00 71.30 H new ATOM 0 HB3 LYS A 37 1.021 -12.275 -4.744 1.00 71.30 H new ATOM 0 HG2 LYS A 37 1.511 -10.299 -6.234 1.00 52.11 H new ATOM 0 HG3 LYS A 37 2.690 -11.272 -7.092 1.00 52.11 H new ATOM 0 HD2 LYS A 37 0.867 -12.895 -7.716 1.00 22.11 H new ATOM 0 HD3 LYS A 37 -0.301 -11.878 -6.897 1.00 22.11 H new ATOM 0 HE2 LYS A 37 1.351 -11.163 -9.355 1.00 74.12 H new ATOM 0 HE3 LYS A 37 -0.385 -11.388 -9.279 1.00 74.12 H new ATOM 0 HZ1 LYS A 37 -0.209 -9.127 -9.198 1.00 72.21 H new ATOM 0 HZ2 LYS A 37 -0.240 -9.477 -7.537 1.00 72.21 H new ATOM 0 HZ3 LYS A 37 1.236 -9.139 -8.305 1.00 72.21 H new ATOM 607 N GLU A 38 3.821 -13.563 -3.070 1.00 71.21 N ATOM 608 CA GLU A 38 4.004 -14.466 -1.920 1.00 4.32 C ATOM 609 C GLU A 38 4.864 -13.762 -0.872 1.00 45.41 C ATOM 610 O GLU A 38 4.494 -13.685 0.303 1.00 35.03 O ATOM 611 CB GLU A 38 4.681 -15.810 -2.338 1.00 71.24 C ATOM 612 CG GLU A 38 3.909 -16.647 -3.392 1.00 13.22 C ATOM 613 CD GLU A 38 3.911 -16.032 -4.802 1.00 55.43 C ATOM 614 OE1 GLU A 38 5.003 -15.785 -5.339 1.00 0.44 O ATOM 615 OE2 GLU A 38 2.829 -15.782 -5.376 1.00 11.44 O ATOM 0 H GLU A 38 4.313 -13.864 -3.911 1.00 71.21 H new ATOM 0 HA GLU A 38 3.022 -14.706 -1.512 1.00 4.32 H new ATOM 0 HB2 GLU A 38 5.674 -15.590 -2.731 1.00 71.24 H new ATOM 0 HB3 GLU A 38 4.819 -16.420 -1.445 1.00 71.24 H new ATOM 0 HG2 GLU A 38 4.347 -17.644 -3.441 1.00 13.22 H new ATOM 0 HG3 GLU A 38 2.878 -16.768 -3.061 1.00 13.22 H new ATOM 622 N LYS A 39 5.968 -13.162 -1.367 1.00 12.00 N ATOM 623 CA LYS A 39 7.034 -12.571 -0.539 1.00 25.21 C ATOM 624 C LYS A 39 6.545 -11.361 0.267 1.00 24.22 C ATOM 625 O LYS A 39 7.196 -10.990 1.232 1.00 15.35 O ATOM 626 CB LYS A 39 8.243 -12.175 -1.423 1.00 42.01 C ATOM 627 CG LYS A 39 8.772 -13.323 -2.305 1.00 4.34 C ATOM 628 CD LYS A 39 9.400 -14.487 -1.507 1.00 4.43 C ATOM 629 CE LYS A 39 9.811 -15.660 -2.414 1.00 24.52 C ATOM 630 NZ LYS A 39 10.748 -15.245 -3.493 1.00 72.52 N ATOM 0 H LYS A 39 6.143 -13.075 -2.368 1.00 12.00 H new ATOM 0 HA LYS A 39 7.343 -13.331 0.178 1.00 25.21 H new ATOM 0 HB2 LYS A 39 7.955 -11.341 -2.063 1.00 42.01 H new ATOM 0 HB3 LYS A 39 9.050 -11.821 -0.781 1.00 42.01 H new ATOM 0 HG2 LYS A 39 7.952 -13.711 -2.910 1.00 4.34 H new ATOM 0 HG3 LYS A 39 9.516 -12.925 -2.995 1.00 4.34 H new ATOM 0 HD2 LYS A 39 10.274 -14.124 -0.967 1.00 4.43 H new ATOM 0 HD3 LYS A 39 8.688 -14.839 -0.761 1.00 4.43 H new ATOM 0 HE2 LYS A 39 10.280 -16.436 -1.809 1.00 24.52 H new ATOM 0 HE3 LYS A 39 8.919 -16.099 -2.861 1.00 24.52 H new ATOM 0 HZ1 LYS A 39 11.074 -16.085 -4.012 1.00 72.52 H new ATOM 0 HZ2 LYS A 39 10.260 -14.601 -4.148 1.00 72.52 H new ATOM 0 HZ3 LYS A 39 11.566 -14.758 -3.074 1.00 72.52 H new ATOM 644 N VAL A 40 5.387 -10.778 -0.135 1.00 12.14 N ATOM 645 CA VAL A 40 4.732 -9.679 0.603 1.00 41.22 C ATOM 646 C VAL A 40 4.559 -10.059 2.093 1.00 52.24 C ATOM 647 O VAL A 40 5.012 -9.332 2.975 1.00 65.35 O ATOM 648 CB VAL A 40 3.312 -9.335 -0.003 1.00 50.11 C ATOM 649 CG1 VAL A 40 2.586 -8.276 0.855 1.00 31.44 C ATOM 650 CG2 VAL A 40 3.400 -8.879 -1.485 1.00 12.33 C ATOM 0 H VAL A 40 4.886 -11.059 -0.978 1.00 12.14 H new ATOM 0 HA VAL A 40 5.374 -8.803 0.512 1.00 41.22 H new ATOM 0 HB VAL A 40 2.727 -10.255 0.016 1.00 50.11 H new ATOM 0 HG11 VAL A 40 1.612 -8.058 0.416 1.00 31.44 H new ATOM 0 HG12 VAL A 40 2.451 -8.658 1.867 1.00 31.44 H new ATOM 0 HG13 VAL A 40 3.182 -7.364 0.888 1.00 31.44 H new ATOM 0 HG21 VAL A 40 2.400 -8.654 -1.856 1.00 12.33 H new ATOM 0 HG22 VAL A 40 4.022 -7.987 -1.555 1.00 12.33 H new ATOM 0 HG23 VAL A 40 3.839 -9.676 -2.085 1.00 12.33 H new ATOM 660 N LYS A 41 3.954 -11.244 2.316 1.00 1.52 N ATOM 661 CA LYS A 41 3.628 -11.793 3.649 1.00 2.35 C ATOM 662 C LYS A 41 4.901 -11.943 4.510 1.00 50.55 C ATOM 663 O LYS A 41 4.893 -11.627 5.711 1.00 2.55 O ATOM 664 CB LYS A 41 2.889 -13.152 3.426 1.00 13.32 C ATOM 665 CG LYS A 41 2.292 -13.846 4.680 1.00 51.34 C ATOM 666 CD LYS A 41 3.289 -14.742 5.454 1.00 4.33 C ATOM 667 CE LYS A 41 2.621 -15.538 6.582 1.00 25.33 C ATOM 668 NZ LYS A 41 1.522 -16.398 6.084 1.00 2.33 N ATOM 0 H LYS A 41 3.671 -11.861 1.555 1.00 1.52 H new ATOM 0 HA LYS A 41 2.977 -11.116 4.203 1.00 2.35 H new ATOM 0 HB2 LYS A 41 2.080 -12.985 2.715 1.00 13.32 H new ATOM 0 HB3 LYS A 41 3.588 -13.844 2.957 1.00 13.32 H new ATOM 0 HG2 LYS A 41 1.911 -13.081 5.356 1.00 51.34 H new ATOM 0 HG3 LYS A 41 1.440 -14.453 4.373 1.00 51.34 H new ATOM 0 HD2 LYS A 41 3.763 -15.434 4.759 1.00 4.33 H new ATOM 0 HD3 LYS A 41 4.080 -14.120 5.873 1.00 4.33 H new ATOM 0 HE2 LYS A 41 3.368 -16.157 7.079 1.00 25.33 H new ATOM 0 HE3 LYS A 41 2.230 -14.848 7.329 1.00 25.33 H new ATOM 0 HZ1 LYS A 41 1.293 -17.117 6.799 1.00 2.33 H new ATOM 0 HZ2 LYS A 41 0.681 -15.814 5.898 1.00 2.33 H new ATOM 0 HZ3 LYS A 41 1.819 -16.867 5.204 1.00 2.33 H new ATOM 682 N GLU A 42 5.985 -12.408 3.864 1.00 1.03 N ATOM 683 CA GLU A 42 7.311 -12.565 4.488 1.00 74.11 C ATOM 684 C GLU A 42 7.864 -11.200 4.961 1.00 23.54 C ATOM 685 O GLU A 42 8.293 -11.054 6.115 1.00 10.10 O ATOM 686 CB GLU A 42 8.310 -13.233 3.485 1.00 64.51 C ATOM 687 CG GLU A 42 8.149 -14.759 3.251 1.00 44.12 C ATOM 688 CD GLU A 42 6.776 -15.205 2.709 1.00 3.32 C ATOM 689 OE1 GLU A 42 5.854 -15.471 3.515 1.00 35.20 O ATOM 690 OE2 GLU A 42 6.616 -15.315 1.480 1.00 1.54 O ATOM 0 H GLU A 42 5.965 -12.688 2.883 1.00 1.03 H new ATOM 0 HA GLU A 42 7.201 -13.211 5.359 1.00 74.11 H new ATOM 0 HB2 GLU A 42 8.214 -12.729 2.523 1.00 64.51 H new ATOM 0 HB3 GLU A 42 9.324 -13.049 3.841 1.00 64.51 H new ATOM 0 HG2 GLU A 42 8.920 -15.085 2.553 1.00 44.12 H new ATOM 0 HG3 GLU A 42 8.334 -15.275 4.193 1.00 44.12 H new ATOM 697 N GLU A 43 7.813 -10.206 4.059 1.00 64.51 N ATOM 698 CA GLU A 43 8.417 -8.878 4.271 1.00 64.43 C ATOM 699 C GLU A 43 7.587 -8.010 5.245 1.00 11.05 C ATOM 700 O GLU A 43 8.117 -7.049 5.796 1.00 33.21 O ATOM 701 CB GLU A 43 8.649 -8.153 2.919 1.00 2.22 C ATOM 702 CG GLU A 43 9.436 -8.960 1.856 1.00 70.12 C ATOM 703 CD GLU A 43 10.818 -9.445 2.318 1.00 14.51 C ATOM 704 OE1 GLU A 43 10.925 -10.526 2.933 1.00 42.42 O ATOM 705 OE2 GLU A 43 11.816 -8.754 2.070 1.00 35.24 O ATOM 0 H GLU A 43 7.349 -10.301 3.156 1.00 64.51 H new ATOM 0 HA GLU A 43 9.388 -9.034 4.741 1.00 64.43 H new ATOM 0 HB2 GLU A 43 7.679 -7.883 2.500 1.00 2.22 H new ATOM 0 HB3 GLU A 43 9.183 -7.223 3.112 1.00 2.22 H new ATOM 0 HG2 GLU A 43 8.841 -9.825 1.561 1.00 70.12 H new ATOM 0 HG3 GLU A 43 9.561 -8.341 0.967 1.00 70.12 H new ATOM 712 N ILE A 44 6.279 -8.319 5.387 1.00 42.11 N ATOM 713 CA ILE A 44 5.391 -7.694 6.399 1.00 1.24 C ATOM 714 C ILE A 44 5.912 -8.003 7.813 1.00 21.21 C ATOM 715 O ILE A 44 6.139 -7.091 8.620 1.00 52.03 O ATOM 716 CB ILE A 44 3.898 -8.208 6.266 1.00 21.14 C ATOM 717 CG1 ILE A 44 3.234 -7.646 4.975 1.00 44.53 C ATOM 718 CG2 ILE A 44 3.036 -7.880 7.526 1.00 72.31 C ATOM 719 CD1 ILE A 44 1.832 -8.164 4.723 1.00 20.41 C ATOM 0 H ILE A 44 5.806 -9.009 4.804 1.00 42.11 H new ATOM 0 HA ILE A 44 5.397 -6.618 6.224 1.00 1.24 H new ATOM 0 HB ILE A 44 3.942 -9.295 6.191 1.00 21.14 H new ATOM 0 HG12 ILE A 44 3.201 -6.558 5.040 1.00 44.53 H new ATOM 0 HG13 ILE A 44 3.861 -7.895 4.119 1.00 44.53 H new ATOM 0 HG21 ILE A 44 2.023 -8.254 7.381 1.00 72.31 H new ATOM 0 HG22 ILE A 44 3.477 -8.356 8.402 1.00 72.31 H new ATOM 0 HG23 ILE A 44 3.006 -6.801 7.675 1.00 72.31 H new ATOM 0 HD11 ILE A 44 1.441 -7.724 3.805 1.00 20.41 H new ATOM 0 HD12 ILE A 44 1.857 -9.249 4.623 1.00 20.41 H new ATOM 0 HD13 ILE A 44 1.188 -7.891 5.559 1.00 20.41 H new ATOM 731 N GLU A 45 6.103 -9.318 8.084 1.00 12.11 N ATOM 732 CA GLU A 45 6.593 -9.796 9.381 1.00 35.52 C ATOM 733 C GLU A 45 8.037 -9.318 9.621 1.00 31.35 C ATOM 734 O GLU A 45 8.392 -8.978 10.743 1.00 74.13 O ATOM 735 CB GLU A 45 6.465 -11.332 9.502 1.00 61.35 C ATOM 736 CG GLU A 45 6.954 -11.879 10.858 1.00 73.24 C ATOM 737 CD GLU A 45 6.580 -13.338 11.105 1.00 41.15 C ATOM 738 OE1 GLU A 45 5.446 -13.599 11.551 1.00 33.01 O ATOM 739 OE2 GLU A 45 7.407 -14.236 10.858 1.00 71.02 O ATOM 0 H GLU A 45 5.921 -10.062 7.411 1.00 12.11 H new ATOM 0 HA GLU A 45 5.967 -9.367 10.163 1.00 35.52 H new ATOM 0 HB2 GLU A 45 5.422 -11.615 9.358 1.00 61.35 H new ATOM 0 HB3 GLU A 45 7.036 -11.802 8.701 1.00 61.35 H new ATOM 0 HG2 GLU A 45 8.038 -11.778 10.910 1.00 73.24 H new ATOM 0 HG3 GLU A 45 6.538 -11.267 11.658 1.00 73.24 H new ATOM 746 N LYS A 46 8.830 -9.244 8.532 1.00 63.02 N ATOM 747 CA LYS A 46 10.188 -8.673 8.556 1.00 42.15 C ATOM 748 C LYS A 46 10.153 -7.192 8.999 1.00 41.10 C ATOM 749 O LYS A 46 10.898 -6.797 9.899 1.00 24.21 O ATOM 750 CB LYS A 46 10.854 -8.835 7.149 1.00 52.22 C ATOM 751 CG LYS A 46 11.884 -7.742 6.758 1.00 63.44 C ATOM 752 CD LYS A 46 12.520 -7.958 5.365 1.00 45.42 C ATOM 753 CE LYS A 46 13.455 -9.176 5.306 1.00 5.22 C ATOM 754 NZ LYS A 46 13.968 -9.429 3.927 1.00 11.21 N ATOM 0 H LYS A 46 8.544 -9.579 7.612 1.00 63.02 H new ATOM 0 HA LYS A 46 10.790 -9.215 9.286 1.00 42.15 H new ATOM 0 HB2 LYS A 46 11.351 -9.805 7.113 1.00 52.22 H new ATOM 0 HB3 LYS A 46 10.067 -8.852 6.395 1.00 52.22 H new ATOM 0 HG2 LYS A 46 11.393 -6.769 6.777 1.00 63.44 H new ATOM 0 HG3 LYS A 46 12.674 -7.715 7.508 1.00 63.44 H new ATOM 0 HD2 LYS A 46 11.728 -8.081 4.627 1.00 45.42 H new ATOM 0 HD3 LYS A 46 13.080 -7.065 5.086 1.00 45.42 H new ATOM 0 HE2 LYS A 46 14.296 -9.019 5.981 1.00 5.22 H new ATOM 0 HE3 LYS A 46 12.922 -10.058 5.661 1.00 5.22 H new ATOM 0 HZ1 LYS A 46 14.237 -10.429 3.835 1.00 11.21 H new ATOM 0 HZ2 LYS A 46 13.226 -9.205 3.234 1.00 11.21 H new ATOM 0 HZ3 LYS A 46 14.799 -8.829 3.750 1.00 11.21 H new ATOM 768 N ALA A 47 9.252 -6.409 8.375 1.00 10.14 N ATOM 769 CA ALA A 47 9.160 -4.955 8.585 1.00 44.54 C ATOM 770 C ALA A 47 8.830 -4.642 10.046 1.00 32.11 C ATOM 771 O ALA A 47 9.558 -3.892 10.699 1.00 61.02 O ATOM 772 CB ALA A 47 8.107 -4.350 7.649 1.00 44.53 C ATOM 0 H ALA A 47 8.567 -6.769 7.710 1.00 10.14 H new ATOM 0 HA ALA A 47 10.127 -4.508 8.353 1.00 44.54 H new ATOM 0 HB1 ALA A 47 8.049 -3.274 7.814 1.00 44.53 H new ATOM 0 HB2 ALA A 47 8.387 -4.544 6.613 1.00 44.53 H new ATOM 0 HB3 ALA A 47 7.136 -4.802 7.853 1.00 44.53 H new ATOM 778 N ARG A 48 7.760 -5.279 10.556 1.00 25.04 N ATOM 779 CA ARG A 48 7.292 -5.067 11.936 1.00 51.41 C ATOM 780 C ARG A 48 8.306 -5.583 12.981 1.00 74.22 C ATOM 781 O ARG A 48 8.405 -5.026 14.075 1.00 75.55 O ATOM 782 CB ARG A 48 5.905 -5.722 12.168 1.00 25.04 C ATOM 783 CG ARG A 48 5.883 -7.267 12.089 1.00 42.11 C ATOM 784 CD ARG A 48 4.546 -7.877 12.546 1.00 34.25 C ATOM 785 NE ARG A 48 4.590 -9.349 12.578 1.00 24.41 N ATOM 786 CZ ARG A 48 5.018 -10.094 13.607 1.00 71.43 C ATOM 787 NH1 ARG A 48 5.463 -9.532 14.727 1.00 72.11 N ATOM 788 NH2 ARG A 48 4.967 -11.413 13.516 1.00 14.24 N ATOM 0 H ARG A 48 7.201 -5.949 10.028 1.00 25.04 H new ATOM 0 HA ARG A 48 7.196 -3.989 12.069 1.00 51.41 H new ATOM 0 HB2 ARG A 48 5.538 -5.419 13.149 1.00 25.04 H new ATOM 0 HB3 ARG A 48 5.207 -5.327 11.430 1.00 25.04 H new ATOM 0 HG2 ARG A 48 6.084 -7.575 11.063 1.00 42.11 H new ATOM 0 HG3 ARG A 48 6.688 -7.668 12.705 1.00 42.11 H new ATOM 0 HD2 ARG A 48 4.297 -7.501 13.538 1.00 34.25 H new ATOM 0 HD3 ARG A 48 3.752 -7.553 11.873 1.00 34.25 H new ATOM 0 HE ARG A 48 4.267 -9.844 11.746 1.00 24.41 H new ATOM 0 HH11 ARG A 48 5.483 -8.516 14.815 1.00 72.11 H new ATOM 0 HH12 ARG A 48 5.784 -10.117 15.498 1.00 72.11 H new ATOM 0 HH21 ARG A 48 4.605 -11.852 12.670 1.00 14.24 H new ATOM 0 HH22 ARG A 48 5.290 -11.991 14.292 1.00 14.24 H new ATOM 802 N LYS A 49 9.066 -6.639 12.622 1.00 20.21 N ATOM 803 CA LYS A 49 10.099 -7.238 13.502 1.00 55.30 C ATOM 804 C LYS A 49 11.286 -6.261 13.641 1.00 3.24 C ATOM 805 O LYS A 49 11.946 -6.207 14.683 1.00 15.14 O ATOM 806 CB LYS A 49 10.545 -8.622 12.921 1.00 65.02 C ATOM 807 CG LYS A 49 11.105 -9.662 13.932 1.00 72.23 C ATOM 808 CD LYS A 49 12.552 -9.395 14.409 1.00 23.31 C ATOM 809 CE LYS A 49 13.098 -10.527 15.308 1.00 11.12 C ATOM 810 NZ LYS A 49 13.196 -11.824 14.587 1.00 51.24 N ATOM 0 H LYS A 49 8.983 -7.102 11.717 1.00 20.21 H new ATOM 0 HA LYS A 49 9.692 -7.412 14.498 1.00 55.30 H new ATOM 0 HB2 LYS A 49 9.690 -9.068 12.414 1.00 65.02 H new ATOM 0 HB3 LYS A 49 11.307 -8.442 12.163 1.00 65.02 H new ATOM 0 HG2 LYS A 49 10.450 -9.689 14.803 1.00 72.23 H new ATOM 0 HG3 LYS A 49 11.066 -10.650 13.473 1.00 72.23 H new ATOM 0 HD2 LYS A 49 13.201 -9.280 13.541 1.00 23.31 H new ATOM 0 HD3 LYS A 49 12.582 -8.453 14.957 1.00 23.31 H new ATOM 0 HE2 LYS A 49 14.083 -10.247 15.683 1.00 11.12 H new ATOM 0 HE3 LYS A 49 12.448 -10.644 16.175 1.00 11.12 H new ATOM 0 HZ1 LYS A 49 13.735 -12.502 15.163 1.00 51.24 H new ATOM 0 HZ2 LYS A 49 12.241 -12.198 14.415 1.00 51.24 H new ATOM 0 HZ3 LYS A 49 13.681 -11.680 13.678 1.00 51.24 H new ATOM 824 N GLN A 50 11.538 -5.490 12.569 1.00 63.44 N ATOM 825 CA GLN A 50 12.600 -4.469 12.535 1.00 75.15 C ATOM 826 C GLN A 50 12.075 -3.084 12.985 1.00 72.44 C ATOM 827 O GLN A 50 12.867 -2.150 13.151 1.00 45.43 O ATOM 828 CB GLN A 50 13.223 -4.392 11.113 1.00 24.42 C ATOM 829 CG GLN A 50 13.838 -5.721 10.599 1.00 2.21 C ATOM 830 CD GLN A 50 14.835 -6.366 11.575 1.00 35.21 C ATOM 831 OE1 GLN A 50 16.032 -6.077 11.553 1.00 22.14 O ATOM 832 NE2 GLN A 50 14.353 -7.264 12.419 1.00 75.43 N ATOM 0 H GLN A 50 11.009 -5.557 11.699 1.00 63.44 H new ATOM 0 HA GLN A 50 13.375 -4.765 13.242 1.00 75.15 H new ATOM 0 HB2 GLN A 50 12.454 -4.069 10.412 1.00 24.42 H new ATOM 0 HB3 GLN A 50 13.998 -3.625 11.112 1.00 24.42 H new ATOM 0 HG2 GLN A 50 13.033 -6.428 10.397 1.00 2.21 H new ATOM 0 HG3 GLN A 50 14.342 -5.534 9.651 1.00 2.21 H new ATOM 0 HE21 GLN A 50 13.357 -7.484 12.416 1.00 75.43 H new ATOM 0 HE22 GLN A 50 14.977 -7.736 13.073 1.00 75.43 H new ATOM 841 N GLY A 51 10.740 -2.969 13.185 1.00 61.04 N ATOM 842 CA GLY A 51 10.108 -1.726 13.655 1.00 41.22 C ATOM 843 C GLY A 51 10.023 -0.654 12.575 1.00 71.40 C ATOM 844 O GLY A 51 10.230 0.536 12.843 1.00 34.41 O ATOM 0 H GLY A 51 10.082 -3.731 13.025 1.00 61.04 H new ATOM 0 HA2 GLY A 51 9.104 -1.950 14.016 1.00 41.22 H new ATOM 0 HA3 GLY A 51 10.672 -1.336 14.502 1.00 41.22 H new ATOM 848 N ARG A 52 9.703 -1.089 11.348 1.00 55.52 N ATOM 849 CA ARG A 52 9.691 -0.243 10.131 1.00 52.11 C ATOM 850 C ARG A 52 8.384 -0.456 9.341 1.00 21.02 C ATOM 851 O ARG A 52 7.705 -1.479 9.521 1.00 21.44 O ATOM 852 CB ARG A 52 10.931 -0.582 9.235 1.00 4.13 C ATOM 853 CG ARG A 52 12.275 -0.048 9.782 1.00 23.00 C ATOM 854 CD ARG A 52 12.334 1.495 9.798 1.00 2.33 C ATOM 855 NE ARG A 52 13.537 1.988 10.481 1.00 71.31 N ATOM 856 CZ ARG A 52 14.102 3.188 10.290 1.00 71.32 C ATOM 857 NH1 ARG A 52 13.594 4.066 9.420 1.00 71.45 N ATOM 858 NH2 ARG A 52 15.194 3.499 10.969 1.00 71.42 N ATOM 0 H ARG A 52 9.439 -2.057 11.163 1.00 55.52 H new ATOM 0 HA ARG A 52 9.746 0.804 10.429 1.00 52.11 H new ATOM 0 HB2 ARG A 52 11.001 -1.664 9.126 1.00 4.13 H new ATOM 0 HB3 ARG A 52 10.768 -0.171 8.239 1.00 4.13 H new ATOM 0 HG2 ARG A 52 12.428 -0.425 10.793 1.00 23.00 H new ATOM 0 HG3 ARG A 52 13.091 -0.434 9.171 1.00 23.00 H new ATOM 0 HD2 ARG A 52 12.318 1.870 8.775 1.00 2.33 H new ATOM 0 HD3 ARG A 52 11.447 1.887 10.295 1.00 2.33 H new ATOM 0 HE ARG A 52 13.979 1.365 11.157 1.00 71.31 H new ATOM 0 HH11 ARG A 52 12.759 3.829 8.885 1.00 71.45 H new ATOM 0 HH12 ARG A 52 14.041 4.974 9.291 1.00 71.45 H new ATOM 0 HH21 ARG A 52 15.594 2.829 11.626 1.00 71.42 H new ATOM 0 HH22 ARG A 52 15.636 4.408 10.835 1.00 71.42 H new ATOM 872 N PRO A 53 7.986 0.531 8.473 1.00 53.45 N ATOM 873 CA PRO A 53 6.889 0.334 7.510 1.00 31.21 C ATOM 874 C PRO A 53 7.325 -0.519 6.294 1.00 54.40 C ATOM 875 O PRO A 53 8.521 -0.797 6.092 1.00 34.13 O ATOM 876 CB PRO A 53 6.488 1.784 7.085 1.00 75.10 C ATOM 877 CG PRO A 53 7.329 2.721 7.921 1.00 23.23 C ATOM 878 CD PRO A 53 8.524 1.917 8.385 1.00 52.31 C ATOM 0 HA PRO A 53 6.056 -0.218 7.946 1.00 31.21 H new ATOM 0 HB2 PRO A 53 6.671 1.942 6.022 1.00 75.10 H new ATOM 0 HB3 PRO A 53 5.426 1.959 7.255 1.00 75.10 H new ATOM 0 HG2 PRO A 53 7.645 3.586 7.337 1.00 23.23 H new ATOM 0 HG3 PRO A 53 6.761 3.100 8.771 1.00 23.23 H new ATOM 0 HD2 PRO A 53 9.353 1.984 7.680 1.00 52.31 H new ATOM 0 HD3 PRO A 53 8.896 2.267 9.348 1.00 52.31 H new ATOM 886 N ILE A 54 6.337 -0.910 5.486 1.00 70.41 N ATOM 887 CA ILE A 54 6.542 -1.637 4.231 1.00 23.22 C ATOM 888 C ILE A 54 5.495 -1.150 3.221 1.00 35.04 C ATOM 889 O ILE A 54 4.298 -1.234 3.476 1.00 1.41 O ATOM 890 CB ILE A 54 6.432 -3.210 4.428 1.00 54.05 C ATOM 891 CG1 ILE A 54 6.407 -3.955 3.048 1.00 4.15 C ATOM 892 CG2 ILE A 54 5.216 -3.595 5.306 1.00 55.11 C ATOM 893 CD1 ILE A 54 6.174 -5.452 3.127 1.00 42.03 C ATOM 0 H ILE A 54 5.354 -0.727 5.689 1.00 70.41 H new ATOM 0 HA ILE A 54 7.550 -1.438 3.867 1.00 23.22 H new ATOM 0 HB ILE A 54 7.325 -3.535 4.961 1.00 54.05 H new ATOM 0 HG12 ILE A 54 5.626 -3.514 2.429 1.00 4.15 H new ATOM 0 HG13 ILE A 54 7.355 -3.777 2.540 1.00 4.15 H new ATOM 0 HG21 ILE A 54 5.176 -4.679 5.417 1.00 55.11 H new ATOM 0 HG22 ILE A 54 5.316 -3.133 6.288 1.00 55.11 H new ATOM 0 HG23 ILE A 54 4.299 -3.245 4.832 1.00 55.11 H new ATOM 0 HD11 ILE A 54 6.174 -5.874 2.122 1.00 42.03 H new ATOM 0 HD12 ILE A 54 6.968 -5.913 3.714 1.00 42.03 H new ATOM 0 HD13 ILE A 54 5.212 -5.646 3.602 1.00 42.03 H new ATOM 905 N VAL A 55 5.952 -0.620 2.084 1.00 63.22 N ATOM 906 CA VAL A 55 5.073 -0.227 0.985 1.00 34.23 C ATOM 907 C VAL A 55 5.045 -1.351 -0.071 1.00 14.43 C ATOM 908 O VAL A 55 6.010 -1.572 -0.809 1.00 54.31 O ATOM 909 CB VAL A 55 5.510 1.133 0.341 1.00 34.21 C ATOM 910 CG1 VAL A 55 4.534 1.550 -0.778 1.00 3.52 C ATOM 911 CG2 VAL A 55 5.638 2.239 1.419 1.00 40.23 C ATOM 0 H VAL A 55 6.941 -0.452 1.901 1.00 63.22 H new ATOM 0 HA VAL A 55 4.070 -0.076 1.384 1.00 34.23 H new ATOM 0 HB VAL A 55 6.492 0.995 -0.111 1.00 34.21 H new ATOM 0 HG11 VAL A 55 4.858 2.497 -1.210 1.00 3.52 H new ATOM 0 HG12 VAL A 55 4.520 0.784 -1.553 1.00 3.52 H new ATOM 0 HG13 VAL A 55 3.533 1.665 -0.363 1.00 3.52 H new ATOM 0 HG21 VAL A 55 5.942 3.173 0.947 1.00 40.23 H new ATOM 0 HG22 VAL A 55 4.677 2.378 1.913 1.00 40.23 H new ATOM 0 HG23 VAL A 55 6.385 1.944 2.156 1.00 40.23 H new ATOM 921 N VAL A 56 3.927 -2.065 -0.079 1.00 3.01 N ATOM 922 CA VAL A 56 3.599 -3.129 -1.024 1.00 44.34 C ATOM 923 C VAL A 56 2.863 -2.540 -2.229 1.00 0.15 C ATOM 924 O VAL A 56 2.089 -1.596 -2.089 1.00 73.45 O ATOM 925 CB VAL A 56 2.685 -4.204 -0.340 1.00 65.30 C ATOM 926 CG1 VAL A 56 2.344 -5.370 -1.300 1.00 71.21 C ATOM 927 CG2 VAL A 56 3.332 -4.717 0.965 1.00 52.43 C ATOM 0 H VAL A 56 3.187 -1.912 0.606 1.00 3.01 H new ATOM 0 HA VAL A 56 4.525 -3.601 -1.350 1.00 44.34 H new ATOM 0 HB VAL A 56 1.741 -3.721 -0.085 1.00 65.30 H new ATOM 0 HG11 VAL A 56 1.709 -6.091 -0.785 1.00 71.21 H new ATOM 0 HG12 VAL A 56 1.818 -4.981 -2.172 1.00 71.21 H new ATOM 0 HG13 VAL A 56 3.264 -5.859 -1.619 1.00 71.21 H new ATOM 0 HG21 VAL A 56 2.683 -5.462 1.425 1.00 52.43 H new ATOM 0 HG22 VAL A 56 4.298 -5.168 0.739 1.00 52.43 H new ATOM 0 HG23 VAL A 56 3.472 -3.884 1.654 1.00 52.43 H new ATOM 937 N PHE A 57 3.142 -3.077 -3.413 1.00 4.35 N ATOM 938 CA PHE A 57 2.487 -2.702 -4.660 1.00 72.11 C ATOM 939 C PHE A 57 1.658 -3.897 -5.133 1.00 14.32 C ATOM 940 O PHE A 57 2.188 -4.990 -5.349 1.00 35.51 O ATOM 941 CB PHE A 57 3.550 -2.272 -5.697 1.00 54.23 C ATOM 942 CG PHE A 57 4.439 -1.152 -5.156 1.00 13.23 C ATOM 943 CD1 PHE A 57 3.918 0.128 -4.961 1.00 62.41 C ATOM 944 CD2 PHE A 57 5.769 -1.389 -4.786 1.00 51.35 C ATOM 945 CE1 PHE A 57 4.695 1.132 -4.425 1.00 63.24 C ATOM 946 CE2 PHE A 57 6.542 -0.377 -4.255 1.00 25.24 C ATOM 947 CZ PHE A 57 6.004 0.880 -4.069 1.00 15.13 C ATOM 0 H PHE A 57 3.848 -3.803 -3.534 1.00 4.35 H new ATOM 0 HA PHE A 57 1.821 -1.851 -4.521 1.00 72.11 H new ATOM 0 HB2 PHE A 57 4.166 -3.130 -5.965 1.00 54.23 H new ATOM 0 HB3 PHE A 57 3.056 -1.937 -6.609 1.00 54.23 H new ATOM 0 HD1 PHE A 57 2.893 0.334 -5.233 1.00 62.41 H new ATOM 0 HD2 PHE A 57 6.193 -2.373 -4.918 1.00 51.35 H new ATOM 0 HE1 PHE A 57 4.278 2.118 -4.283 1.00 63.24 H new ATOM 0 HE2 PHE A 57 7.570 -0.569 -3.984 1.00 25.24 H new ATOM 0 HZ PHE A 57 6.608 1.668 -3.644 1.00 15.13 H new ATOM 957 N VAL A 58 0.349 -3.684 -5.204 1.00 14.23 N ATOM 958 CA VAL A 58 -0.649 -4.659 -5.670 1.00 31.31 C ATOM 959 C VAL A 58 -1.373 -4.033 -6.879 1.00 61.32 C ATOM 960 O VAL A 58 -1.407 -2.813 -6.994 1.00 45.14 O ATOM 961 CB VAL A 58 -1.669 -4.991 -4.508 1.00 22.42 C ATOM 962 CG1 VAL A 58 -2.771 -5.964 -4.967 1.00 52.34 C ATOM 963 CG2 VAL A 58 -0.933 -5.548 -3.263 1.00 22.53 C ATOM 0 H VAL A 58 -0.070 -2.795 -4.930 1.00 14.23 H new ATOM 0 HA VAL A 58 -0.174 -5.595 -5.962 1.00 31.31 H new ATOM 0 HB VAL A 58 -2.154 -4.054 -4.233 1.00 22.42 H new ATOM 0 HG11 VAL A 58 -3.449 -6.164 -4.137 1.00 52.34 H new ATOM 0 HG12 VAL A 58 -3.328 -5.520 -5.792 1.00 52.34 H new ATOM 0 HG13 VAL A 58 -2.317 -6.898 -5.298 1.00 52.34 H new ATOM 0 HG21 VAL A 58 -1.658 -5.768 -2.480 1.00 22.53 H new ATOM 0 HG22 VAL A 58 -0.402 -6.461 -3.532 1.00 22.53 H new ATOM 0 HG23 VAL A 58 -0.220 -4.808 -2.900 1.00 22.53 H new ATOM 973 N ARG A 59 -1.882 -4.848 -7.816 1.00 73.14 N ATOM 974 CA ARG A 59 -2.702 -4.336 -8.940 1.00 22.44 C ATOM 975 C ARG A 59 -4.185 -4.191 -8.512 1.00 43.13 C ATOM 976 O ARG A 59 -4.615 -4.794 -7.518 1.00 32.42 O ATOM 977 CB ARG A 59 -2.583 -5.264 -10.184 1.00 73.44 C ATOM 978 CG ARG A 59 -1.201 -5.245 -10.882 1.00 41.55 C ATOM 979 CD ARG A 59 -1.170 -6.138 -12.141 1.00 5.30 C ATOM 980 NE ARG A 59 0.136 -6.106 -12.822 1.00 54.42 N ATOM 981 CZ ARG A 59 0.511 -6.911 -13.832 1.00 20.43 C ATOM 982 NH1 ARG A 59 -0.309 -7.836 -14.310 1.00 11.22 N ATOM 983 NH2 ARG A 59 1.713 -6.770 -14.372 1.00 10.10 N ATOM 0 H ARG A 59 -1.745 -5.859 -7.824 1.00 73.14 H new ATOM 0 HA ARG A 59 -2.322 -3.351 -9.213 1.00 22.44 H new ATOM 0 HB2 ARG A 59 -2.806 -6.286 -9.879 1.00 73.44 H new ATOM 0 HB3 ARG A 59 -3.344 -4.975 -10.909 1.00 73.44 H new ATOM 0 HG2 ARG A 59 -0.950 -4.221 -11.159 1.00 41.55 H new ATOM 0 HG3 ARG A 59 -0.437 -5.582 -10.181 1.00 41.55 H new ATOM 0 HD2 ARG A 59 -1.405 -7.165 -11.860 1.00 5.30 H new ATOM 0 HD3 ARG A 59 -1.946 -5.811 -12.834 1.00 5.30 H new ATOM 0 HE ARG A 59 0.813 -5.415 -12.500 1.00 54.42 H new ATOM 0 HH11 ARG A 59 -1.241 -7.946 -13.911 1.00 11.22 H new ATOM 0 HH12 ARG A 59 -0.008 -8.438 -15.076 1.00 11.22 H new ATOM 0 HH21 ARG A 59 2.349 -6.054 -14.021 1.00 10.10 H new ATOM 0 HH22 ARG A 59 2.002 -7.378 -15.138 1.00 10.10 H new ATOM 997 N GLY A 60 -4.947 -3.373 -9.271 1.00 64.04 N ATOM 998 CA GLY A 60 -6.396 -3.211 -9.063 1.00 72.11 C ATOM 999 C GLY A 60 -7.192 -4.469 -9.432 1.00 14.24 C ATOM 1000 O GLY A 60 -8.266 -4.725 -8.873 1.00 41.53 O ATOM 0 H GLY A 60 -4.575 -2.812 -10.038 1.00 64.04 H new ATOM 0 HA2 GLY A 60 -6.583 -2.961 -8.019 1.00 72.11 H new ATOM 0 HA3 GLY A 60 -6.753 -2.372 -9.660 1.00 72.11 H new ATOM 1004 N GLY A 61 -6.651 -5.249 -10.394 1.00 45.31 N ATOM 1005 CA GLY A 61 -7.197 -6.573 -10.761 1.00 25.21 C ATOM 1006 C GLY A 61 -6.648 -7.705 -9.891 1.00 24.14 C ATOM 1007 O GLY A 61 -6.939 -8.879 -10.134 1.00 53.30 O ATOM 0 H GLY A 61 -5.829 -4.980 -10.934 1.00 45.31 H new ATOM 0 HA2 GLY A 61 -8.283 -6.549 -10.674 1.00 25.21 H new ATOM 0 HA3 GLY A 61 -6.965 -6.779 -11.806 1.00 25.21 H new ATOM 1011 N ASP A 62 -5.847 -7.330 -8.878 1.00 34.42 N ATOM 1012 CA ASP A 62 -5.237 -8.249 -7.887 1.00 21.45 C ATOM 1013 C ASP A 62 -5.817 -7.897 -6.491 1.00 53.04 C ATOM 1014 O ASP A 62 -5.211 -8.161 -5.445 1.00 61.32 O ATOM 1015 CB ASP A 62 -3.682 -8.056 -7.953 1.00 22.11 C ATOM 1016 CG ASP A 62 -2.841 -9.125 -7.230 1.00 33.21 C ATOM 1017 OD1 ASP A 62 -3.104 -10.323 -7.420 1.00 12.23 O ATOM 1018 OD2 ASP A 62 -1.879 -8.776 -6.511 1.00 41.10 O ATOM 0 H ASP A 62 -5.596 -6.354 -8.717 1.00 34.42 H new ATOM 0 HA ASP A 62 -5.460 -9.296 -8.091 1.00 21.45 H new ATOM 0 HB2 ASP A 62 -3.382 -8.033 -9.001 1.00 22.11 H new ATOM 0 HB3 ASP A 62 -3.438 -7.082 -7.530 1.00 22.11 H new ATOM 1023 N ASP A 63 -7.045 -7.330 -6.522 1.00 54.32 N ATOM 1024 CA ASP A 63 -7.738 -6.714 -5.369 1.00 41.40 C ATOM 1025 C ASP A 63 -8.026 -7.713 -4.236 1.00 24.42 C ATOM 1026 O ASP A 63 -7.934 -7.350 -3.056 1.00 64.24 O ATOM 1027 CB ASP A 63 -9.059 -6.064 -5.855 1.00 33.22 C ATOM 1028 CG ASP A 63 -9.835 -5.332 -4.739 1.00 23.14 C ATOM 1029 OD1 ASP A 63 -9.567 -4.133 -4.500 1.00 74.42 O ATOM 1030 OD2 ASP A 63 -10.743 -5.938 -4.109 1.00 73.13 O ATOM 0 H ASP A 63 -7.598 -7.288 -7.378 1.00 54.32 H new ATOM 0 HA ASP A 63 -7.071 -5.959 -4.953 1.00 41.40 H new ATOM 0 HB2 ASP A 63 -8.834 -5.357 -6.653 1.00 33.22 H new ATOM 0 HB3 ASP A 63 -9.698 -6.836 -6.284 1.00 33.22 H new ATOM 1035 N GLU A 64 -8.390 -8.957 -4.608 1.00 41.20 N ATOM 1036 CA GLU A 64 -8.660 -10.035 -3.640 1.00 34.13 C ATOM 1037 C GLU A 64 -7.436 -10.309 -2.764 1.00 1.23 C ATOM 1038 O GLU A 64 -7.550 -10.392 -1.542 1.00 71.52 O ATOM 1039 CB GLU A 64 -9.125 -11.341 -4.347 1.00 21.22 C ATOM 1040 CG GLU A 64 -10.626 -11.381 -4.693 1.00 72.22 C ATOM 1041 CD GLU A 64 -11.535 -11.209 -3.454 1.00 62.43 C ATOM 1042 OE1 GLU A 64 -11.570 -12.107 -2.591 1.00 34.22 O ATOM 1043 OE2 GLU A 64 -12.192 -10.166 -3.321 1.00 74.32 O ATOM 0 H GLU A 64 -8.504 -9.240 -5.581 1.00 41.20 H new ATOM 0 HA GLU A 64 -9.474 -9.694 -3.000 1.00 34.13 H new ATOM 0 HB2 GLU A 64 -8.550 -11.467 -5.265 1.00 21.22 H new ATOM 0 HB3 GLU A 64 -8.890 -12.190 -3.705 1.00 21.22 H new ATOM 0 HG2 GLU A 64 -10.849 -10.593 -5.413 1.00 72.22 H new ATOM 0 HG3 GLU A 64 -10.857 -12.330 -5.177 1.00 72.22 H new ATOM 1050 N ARG A 65 -6.267 -10.417 -3.403 1.00 34.52 N ATOM 1051 CA ARG A 65 -4.999 -10.601 -2.704 1.00 54.13 C ATOM 1052 C ARG A 65 -4.722 -9.414 -1.752 1.00 32.22 C ATOM 1053 O ARG A 65 -4.319 -9.629 -0.616 1.00 62.54 O ATOM 1054 CB ARG A 65 -3.872 -10.790 -3.740 1.00 14.45 C ATOM 1055 CG ARG A 65 -2.444 -10.755 -3.159 1.00 15.21 C ATOM 1056 CD ARG A 65 -1.380 -11.230 -4.150 1.00 63.11 C ATOM 1057 NE ARG A 65 -1.352 -12.705 -4.285 1.00 52.33 N ATOM 1058 CZ ARG A 65 -1.874 -13.424 -5.293 1.00 72.23 C ATOM 1059 NH1 ARG A 65 -2.489 -12.837 -6.313 1.00 54.22 N ATOM 1060 NH2 ARG A 65 -1.754 -14.738 -5.275 1.00 51.22 N ATOM 0 H ARG A 65 -6.177 -10.379 -4.418 1.00 34.52 H new ATOM 0 HA ARG A 65 -5.047 -11.496 -2.083 1.00 54.13 H new ATOM 0 HB2 ARG A 65 -4.020 -11.744 -4.246 1.00 14.45 H new ATOM 0 HB3 ARG A 65 -3.960 -10.011 -4.497 1.00 14.45 H new ATOM 0 HG2 ARG A 65 -2.211 -9.738 -2.845 1.00 15.21 H new ATOM 0 HG3 ARG A 65 -2.406 -11.380 -2.267 1.00 15.21 H new ATOM 0 HD2 ARG A 65 -1.570 -10.782 -5.125 1.00 63.11 H new ATOM 0 HD3 ARG A 65 -0.401 -10.879 -3.824 1.00 63.11 H new ATOM 0 HE ARG A 65 -0.891 -13.226 -3.539 1.00 52.33 H new ATOM 0 HH11 ARG A 65 -2.572 -11.821 -6.342 1.00 54.22 H new ATOM 0 HH12 ARG A 65 -2.878 -13.402 -7.068 1.00 54.22 H new ATOM 0 HH21 ARG A 65 -1.270 -15.195 -4.502 1.00 51.22 H new ATOM 0 HH22 ARG A 65 -2.145 -15.296 -6.034 1.00 51.22 H new ATOM 1074 N ALA A 66 -5.026 -8.183 -2.216 1.00 21.11 N ATOM 1075 CA ALA A 66 -4.813 -6.938 -1.437 1.00 0.31 C ATOM 1076 C ALA A 66 -5.554 -6.946 -0.081 1.00 10.45 C ATOM 1077 O ALA A 66 -4.949 -6.658 0.950 1.00 15.24 O ATOM 1078 CB ALA A 66 -5.246 -5.724 -2.258 1.00 60.43 C ATOM 0 H ALA A 66 -5.426 -8.021 -3.140 1.00 21.11 H new ATOM 0 HA ALA A 66 -3.746 -6.879 -1.220 1.00 0.31 H new ATOM 0 HB1 ALA A 66 -5.085 -4.816 -1.677 1.00 60.43 H new ATOM 0 HB2 ALA A 66 -4.659 -5.677 -3.175 1.00 60.43 H new ATOM 0 HB3 ALA A 66 -6.303 -5.812 -2.508 1.00 60.43 H new ATOM 1084 N LYS A 67 -6.870 -7.282 -0.104 1.00 62.52 N ATOM 1085 CA LYS A 67 -7.712 -7.326 1.124 1.00 40.43 C ATOM 1086 C LYS A 67 -7.321 -8.493 2.057 1.00 20.12 C ATOM 1087 O LYS A 67 -7.543 -8.397 3.267 1.00 0.10 O ATOM 1088 CB LYS A 67 -9.254 -7.316 0.804 1.00 3.30 C ATOM 1089 CG LYS A 67 -9.713 -8.082 -0.480 1.00 22.42 C ATOM 1090 CD LYS A 67 -10.766 -9.203 -0.241 1.00 72.31 C ATOM 1091 CE LYS A 67 -10.168 -10.473 0.391 1.00 10.32 C ATOM 1092 NZ LYS A 67 -11.159 -11.583 0.466 1.00 74.01 N ATOM 0 H LYS A 67 -7.372 -7.526 -0.958 1.00 62.52 H new ATOM 0 HA LYS A 67 -7.506 -6.403 1.667 1.00 40.43 H new ATOM 0 HB2 LYS A 67 -9.781 -7.740 1.659 1.00 3.30 H new ATOM 0 HB3 LYS A 67 -9.575 -6.278 0.714 1.00 3.30 H new ATOM 0 HG2 LYS A 67 -10.127 -7.361 -1.185 1.00 22.42 H new ATOM 0 HG3 LYS A 67 -8.836 -8.524 -0.953 1.00 22.42 H new ATOM 0 HD2 LYS A 67 -11.555 -8.820 0.407 1.00 72.31 H new ATOM 0 HD3 LYS A 67 -11.232 -9.463 -1.191 1.00 72.31 H new ATOM 0 HE2 LYS A 67 -9.306 -10.796 -0.193 1.00 10.32 H new ATOM 0 HE3 LYS A 67 -9.806 -10.243 1.393 1.00 10.32 H new ATOM 0 HZ1 LYS A 67 -10.746 -12.382 0.988 1.00 74.01 H new ATOM 0 HZ2 LYS A 67 -12.014 -11.252 0.957 1.00 74.01 H new ATOM 0 HZ3 LYS A 67 -11.409 -11.890 -0.495 1.00 74.01 H new ATOM 1106 N ASP A 68 -6.762 -9.588 1.490 1.00 21.11 N ATOM 1107 CA ASP A 68 -6.190 -10.714 2.288 1.00 50.21 C ATOM 1108 C ASP A 68 -4.886 -10.297 2.999 1.00 0.15 C ATOM 1109 O ASP A 68 -4.645 -10.689 4.145 1.00 73.44 O ATOM 1110 CB ASP A 68 -5.907 -11.961 1.403 1.00 21.42 C ATOM 1111 CG ASP A 68 -7.149 -12.817 1.104 1.00 61.11 C ATOM 1112 OD1 ASP A 68 -7.566 -13.599 1.982 1.00 62.23 O ATOM 1113 OD2 ASP A 68 -7.701 -12.739 -0.004 1.00 2.23 O ATOM 0 H ASP A 68 -6.692 -9.722 0.481 1.00 21.11 H new ATOM 0 HA ASP A 68 -6.940 -10.973 3.036 1.00 50.21 H new ATOM 0 HB2 ASP A 68 -5.471 -11.632 0.460 1.00 21.42 H new ATOM 0 HB3 ASP A 68 -5.162 -12.583 1.899 1.00 21.42 H new ATOM 1118 N ILE A 69 -4.042 -9.527 2.291 1.00 24.24 N ATOM 1119 CA ILE A 69 -2.774 -9.002 2.831 1.00 42.50 C ATOM 1120 C ILE A 69 -3.074 -7.959 3.931 1.00 32.22 C ATOM 1121 O ILE A 69 -2.375 -7.882 4.944 1.00 24.13 O ATOM 1122 CB ILE A 69 -1.897 -8.356 1.688 1.00 0.53 C ATOM 1123 CG1 ILE A 69 -1.480 -9.411 0.613 1.00 52.20 C ATOM 1124 CG2 ILE A 69 -0.653 -7.656 2.260 1.00 34.32 C ATOM 1125 CD1 ILE A 69 -0.780 -8.822 -0.611 1.00 32.40 C ATOM 0 H ILE A 69 -4.220 -9.250 1.326 1.00 24.24 H new ATOM 0 HA ILE A 69 -2.208 -9.829 3.260 1.00 42.50 H new ATOM 0 HB ILE A 69 -2.518 -7.605 1.201 1.00 0.53 H new ATOM 0 HG12 ILE A 69 -0.819 -10.143 1.077 1.00 52.20 H new ATOM 0 HG13 ILE A 69 -2.370 -9.948 0.284 1.00 52.20 H new ATOM 0 HG21 ILE A 69 -0.073 -7.223 1.445 1.00 34.32 H new ATOM 0 HG22 ILE A 69 -0.962 -6.867 2.945 1.00 34.32 H new ATOM 0 HG23 ILE A 69 -0.041 -8.382 2.796 1.00 34.32 H new ATOM 0 HD11 ILE A 69 -0.526 -9.623 -1.305 1.00 32.40 H new ATOM 0 HD12 ILE A 69 -1.444 -8.112 -1.104 1.00 32.40 H new ATOM 0 HD13 ILE A 69 0.130 -8.310 -0.298 1.00 32.40 H new ATOM 1137 N ALA A 70 -4.143 -7.177 3.699 1.00 12.44 N ATOM 1138 CA ALA A 70 -4.648 -6.165 4.636 1.00 60.20 C ATOM 1139 C ALA A 70 -5.203 -6.820 5.913 1.00 24.22 C ATOM 1140 O ALA A 70 -5.011 -6.311 7.020 1.00 11.03 O ATOM 1141 CB ALA A 70 -5.720 -5.326 3.931 1.00 44.21 C ATOM 0 H ALA A 70 -4.688 -7.234 2.839 1.00 12.44 H new ATOM 0 HA ALA A 70 -3.828 -5.515 4.943 1.00 60.20 H new ATOM 0 HB1 ALA A 70 -6.102 -4.571 4.619 1.00 44.21 H new ATOM 0 HB2 ALA A 70 -5.284 -4.836 3.060 1.00 44.21 H new ATOM 0 HB3 ALA A 70 -6.537 -5.973 3.612 1.00 44.21 H new ATOM 1147 N GLU A 71 -5.892 -7.953 5.713 1.00 34.44 N ATOM 1148 CA GLU A 71 -6.434 -8.803 6.787 1.00 43.02 C ATOM 1149 C GLU A 71 -5.299 -9.392 7.641 1.00 43.34 C ATOM 1150 O GLU A 71 -5.399 -9.435 8.874 1.00 62.24 O ATOM 1151 CB GLU A 71 -7.284 -9.920 6.132 1.00 41.02 C ATOM 1152 CG GLU A 71 -7.827 -10.988 7.087 1.00 61.43 C ATOM 1153 CD GLU A 71 -8.642 -12.068 6.355 1.00 22.00 C ATOM 1154 OE1 GLU A 71 -8.030 -12.933 5.698 1.00 31.24 O ATOM 1155 OE2 GLU A 71 -9.889 -12.061 6.440 1.00 75.34 O ATOM 0 H GLU A 71 -6.093 -8.313 4.780 1.00 34.44 H new ATOM 0 HA GLU A 71 -7.059 -8.212 7.456 1.00 43.02 H new ATOM 0 HB2 GLU A 71 -8.126 -9.456 5.618 1.00 41.02 H new ATOM 0 HB3 GLU A 71 -6.679 -10.413 5.371 1.00 41.02 H new ATOM 0 HG2 GLU A 71 -6.996 -11.458 7.613 1.00 61.43 H new ATOM 0 HG3 GLU A 71 -8.454 -10.512 7.841 1.00 61.43 H new ATOM 1162 N TYR A 72 -4.213 -9.812 6.961 1.00 33.33 N ATOM 1163 CA TYR A 72 -3.016 -10.364 7.608 1.00 34.14 C ATOM 1164 C TYR A 72 -2.311 -9.283 8.447 1.00 10.15 C ATOM 1165 O TYR A 72 -1.977 -9.518 9.605 1.00 73.12 O ATOM 1166 CB TYR A 72 -2.032 -10.954 6.558 1.00 11.12 C ATOM 1167 CG TYR A 72 -0.746 -11.529 7.183 1.00 43.52 C ATOM 1168 CD1 TYR A 72 -0.792 -12.664 7.999 1.00 32.54 C ATOM 1169 CD2 TYR A 72 0.509 -10.924 6.992 1.00 1.22 C ATOM 1170 CE1 TYR A 72 0.346 -13.167 8.590 1.00 45.13 C ATOM 1171 CE2 TYR A 72 1.654 -11.436 7.584 1.00 71.14 C ATOM 1172 CZ TYR A 72 1.565 -12.556 8.383 1.00 30.25 C ATOM 1173 OH TYR A 72 2.695 -13.067 8.994 1.00 33.32 O ATOM 0 H TYR A 72 -4.146 -9.776 5.944 1.00 33.33 H new ATOM 0 HA TYR A 72 -3.334 -11.171 8.267 1.00 34.14 H new ATOM 0 HB2 TYR A 72 -2.538 -11.740 5.998 1.00 11.12 H new ATOM 0 HB3 TYR A 72 -1.764 -10.175 5.844 1.00 11.12 H new ATOM 0 HD1 TYR A 72 -1.738 -13.156 8.169 1.00 32.54 H new ATOM 0 HD2 TYR A 72 0.583 -10.043 6.372 1.00 1.22 H new ATOM 0 HE1 TYR A 72 0.283 -14.043 9.218 1.00 45.13 H new ATOM 0 HE2 TYR A 72 2.610 -10.960 7.420 1.00 71.14 H new ATOM 0 HH TYR A 72 2.867 -12.578 9.826 1.00 33.32 H new ATOM 1183 N ALA A 73 -2.131 -8.098 7.842 1.00 44.52 N ATOM 1184 CA ALA A 73 -1.436 -6.957 8.461 1.00 61.32 C ATOM 1185 C ALA A 73 -2.169 -6.464 9.727 1.00 34.02 C ATOM 1186 O ALA A 73 -1.535 -6.135 10.731 1.00 11.42 O ATOM 1187 CB ALA A 73 -1.312 -5.828 7.436 1.00 71.12 C ATOM 0 H ALA A 73 -2.467 -7.903 6.899 1.00 44.52 H new ATOM 0 HA ALA A 73 -0.443 -7.281 8.771 1.00 61.32 H new ATOM 0 HB1 ALA A 73 -0.798 -4.980 7.889 1.00 71.12 H new ATOM 0 HB2 ALA A 73 -0.743 -6.179 6.575 1.00 71.12 H new ATOM 0 HB3 ALA A 73 -2.306 -5.519 7.113 1.00 71.12 H new ATOM 1193 N GLN A 74 -3.513 -6.436 9.650 1.00 72.41 N ATOM 1194 CA GLN A 74 -4.387 -6.052 10.776 1.00 14.45 C ATOM 1195 C GLN A 74 -4.308 -7.104 11.902 1.00 73.40 C ATOM 1196 O GLN A 74 -4.323 -6.760 13.090 1.00 73.02 O ATOM 1197 CB GLN A 74 -5.846 -5.889 10.281 1.00 74.02 C ATOM 1198 CG GLN A 74 -6.853 -5.503 11.382 1.00 32.14 C ATOM 1199 CD GLN A 74 -8.278 -5.384 10.863 1.00 1.14 C ATOM 1200 OE1 GLN A 74 -9.027 -6.357 10.853 1.00 42.55 O ATOM 1201 NE2 GLN A 74 -8.659 -4.201 10.416 1.00 1.14 N ATOM 0 H GLN A 74 -4.025 -6.680 8.802 1.00 72.41 H new ATOM 0 HA GLN A 74 -4.047 -5.098 11.178 1.00 14.45 H new ATOM 0 HB2 GLN A 74 -5.869 -5.128 9.501 1.00 74.02 H new ATOM 0 HB3 GLN A 74 -6.168 -6.824 9.823 1.00 74.02 H new ATOM 0 HG2 GLN A 74 -6.821 -6.250 12.175 1.00 32.14 H new ATOM 0 HG3 GLN A 74 -6.553 -4.554 11.826 1.00 32.14 H new ATOM 0 HE21 GLN A 74 -8.011 -3.414 10.439 1.00 1.14 H new ATOM 0 HE22 GLN A 74 -9.602 -4.074 10.048 1.00 1.14 H new ATOM 1210 N LYS A 75 -4.212 -8.387 11.494 1.00 73.50 N ATOM 1211 CA LYS A 75 -4.042 -9.528 12.420 1.00 3.53 C ATOM 1212 C LYS A 75 -2.694 -9.429 13.170 1.00 25.33 C ATOM 1213 O LYS A 75 -2.614 -9.752 14.361 1.00 1.33 O ATOM 1214 CB LYS A 75 -4.142 -10.866 11.634 1.00 3.30 C ATOM 1215 CG LYS A 75 -4.064 -12.140 12.507 1.00 3.35 C ATOM 1216 CD LYS A 75 -4.252 -13.440 11.691 1.00 22.21 C ATOM 1217 CE LYS A 75 -5.611 -13.514 10.970 1.00 43.24 C ATOM 1218 NZ LYS A 75 -5.740 -14.758 10.165 1.00 3.53 N ATOM 0 H LYS A 75 -4.250 -8.662 10.512 1.00 73.50 H new ATOM 0 HA LYS A 75 -4.839 -9.499 13.163 1.00 3.53 H new ATOM 0 HB2 LYS A 75 -5.082 -10.878 11.083 1.00 3.30 H new ATOM 0 HB3 LYS A 75 -3.340 -10.898 10.897 1.00 3.30 H new ATOM 0 HG2 LYS A 75 -3.098 -12.170 13.012 1.00 3.35 H new ATOM 0 HG3 LYS A 75 -4.828 -12.090 13.283 1.00 3.35 H new ATOM 0 HD2 LYS A 75 -3.453 -13.517 10.954 1.00 22.21 H new ATOM 0 HD3 LYS A 75 -4.155 -14.297 12.358 1.00 22.21 H new ATOM 0 HE2 LYS A 75 -6.415 -13.471 11.704 1.00 43.24 H new ATOM 0 HE3 LYS A 75 -5.726 -12.647 10.320 1.00 43.24 H new ATOM 0 HZ1 LYS A 75 -6.667 -14.772 9.694 1.00 3.53 H new ATOM 0 HZ2 LYS A 75 -4.987 -14.787 9.448 1.00 3.53 H new ATOM 0 HZ3 LYS A 75 -5.656 -15.586 10.789 1.00 3.53 H new ATOM 1232 N GLU A 76 -1.648 -8.933 12.466 1.00 3.14 N ATOM 1233 CA GLU A 76 -0.309 -8.695 13.053 1.00 31.12 C ATOM 1234 C GLU A 76 -0.320 -7.477 14.005 1.00 74.33 C ATOM 1235 O GLU A 76 0.661 -7.242 14.725 1.00 61.32 O ATOM 1236 CB GLU A 76 0.740 -8.479 11.919 1.00 32.41 C ATOM 1237 CG GLU A 76 0.895 -9.643 10.915 1.00 22.42 C ATOM 1238 CD GLU A 76 1.453 -10.937 11.527 1.00 72.14 C ATOM 1239 OE1 GLU A 76 0.677 -11.709 12.124 1.00 1.20 O ATOM 1240 OE2 GLU A 76 2.671 -11.199 11.406 1.00 74.40 O ATOM 0 H GLU A 76 -1.709 -8.688 11.478 1.00 3.14 H new ATOM 0 HA GLU A 76 -0.035 -9.574 13.636 1.00 31.12 H new ATOM 0 HB2 GLU A 76 0.468 -7.580 11.365 1.00 32.41 H new ATOM 0 HB3 GLU A 76 1.710 -8.289 12.379 1.00 32.41 H new ATOM 0 HG2 GLU A 76 -0.077 -9.855 10.470 1.00 22.42 H new ATOM 0 HG3 GLU A 76 1.553 -9.324 10.106 1.00 22.42 H new ATOM 1247 N GLY A 77 -1.436 -6.708 13.986 1.00 61.24 N ATOM 1248 CA GLY A 77 -1.608 -5.523 14.825 1.00 30.23 C ATOM 1249 C GLY A 77 -0.828 -4.348 14.283 1.00 3.43 C ATOM 1250 O GLY A 77 -0.119 -3.662 15.025 1.00 62.13 O ATOM 0 H GLY A 77 -2.236 -6.902 13.384 1.00 61.24 H new ATOM 0 HA2 GLY A 77 -2.666 -5.265 14.881 1.00 30.23 H new ATOM 0 HA3 GLY A 77 -1.279 -5.743 15.841 1.00 30.23 H new ATOM 1254 N LEU A 78 -0.927 -4.153 12.959 1.00 21.12 N ATOM 1255 CA LEU A 78 -0.197 -3.100 12.230 1.00 0.12 C ATOM 1256 C LEU A 78 -1.198 -2.108 11.622 1.00 3.42 C ATOM 1257 O LEU A 78 -2.359 -2.464 11.373 1.00 53.11 O ATOM 1258 CB LEU A 78 0.686 -3.736 11.110 1.00 12.04 C ATOM 1259 CG LEU A 78 1.608 -4.924 11.545 1.00 52.35 C ATOM 1260 CD1 LEU A 78 2.502 -5.402 10.387 1.00 13.54 C ATOM 1261 CD2 LEU A 78 2.451 -4.580 12.791 1.00 24.21 C ATOM 0 H LEU A 78 -1.520 -4.725 12.358 1.00 21.12 H new ATOM 0 HA LEU A 78 0.455 -2.568 12.923 1.00 0.12 H new ATOM 0 HB2 LEU A 78 0.029 -4.086 10.314 1.00 12.04 H new ATOM 0 HB3 LEU A 78 1.314 -2.954 10.684 1.00 12.04 H new ATOM 0 HG LEU A 78 0.948 -5.747 11.818 1.00 52.35 H new ATOM 0 HD11 LEU A 78 3.128 -6.227 10.727 1.00 13.54 H new ATOM 0 HD12 LEU A 78 1.877 -5.738 9.559 1.00 13.54 H new ATOM 0 HD13 LEU A 78 3.135 -4.580 10.053 1.00 13.54 H new ATOM 0 HD21 LEU A 78 3.075 -5.434 13.055 1.00 24.21 H new ATOM 0 HD22 LEU A 78 3.085 -3.720 12.575 1.00 24.21 H new ATOM 0 HD23 LEU A 78 1.789 -4.342 13.624 1.00 24.21 H new ATOM 1273 N ARG A 79 -0.742 -0.860 11.398 1.00 12.30 N ATOM 1274 CA ARG A 79 -1.545 0.170 10.716 1.00 14.30 C ATOM 1275 C ARG A 79 -1.592 -0.160 9.221 1.00 12.12 C ATOM 1276 O ARG A 79 -0.564 -0.131 8.538 1.00 40.31 O ATOM 1277 CB ARG A 79 -0.968 1.601 10.962 1.00 73.01 C ATOM 1278 CG ARG A 79 -1.389 2.268 12.295 1.00 55.20 C ATOM 1279 CD ARG A 79 -1.015 1.451 13.547 1.00 21.34 C ATOM 1280 NE ARG A 79 -1.521 2.090 14.776 1.00 65.01 N ATOM 1281 CZ ARG A 79 -2.295 1.502 15.705 1.00 73.11 C ATOM 1282 NH1 ARG A 79 -2.682 0.233 15.572 1.00 55.41 N ATOM 1283 NH2 ARG A 79 -2.669 2.188 16.773 1.00 20.32 N ATOM 0 H ARG A 79 0.184 -0.541 11.682 1.00 12.30 H new ATOM 0 HA ARG A 79 -2.556 0.168 11.123 1.00 14.30 H new ATOM 0 HB2 ARG A 79 0.120 1.546 10.931 1.00 73.01 H new ATOM 0 HB3 ARG A 79 -1.278 2.245 10.139 1.00 73.01 H new ATOM 0 HG2 ARG A 79 -0.922 3.251 12.362 1.00 55.20 H new ATOM 0 HG3 ARG A 79 -2.467 2.427 12.286 1.00 55.20 H new ATOM 0 HD2 ARG A 79 -1.425 0.445 13.463 1.00 21.34 H new ATOM 0 HD3 ARG A 79 0.069 1.350 13.607 1.00 21.34 H new ATOM 0 HE ARG A 79 -1.261 3.063 14.935 1.00 65.01 H new ATOM 0 HH11 ARG A 79 -2.391 -0.306 14.757 1.00 55.41 H new ATOM 0 HH12 ARG A 79 -3.269 -0.199 16.286 1.00 55.41 H new ATOM 0 HH21 ARG A 79 -2.370 3.157 16.887 1.00 20.32 H new ATOM 0 HH22 ARG A 79 -3.256 1.748 17.482 1.00 20.32 H new ATOM 1297 N VAL A 80 -2.788 -0.516 8.734 1.00 0.43 N ATOM 1298 CA VAL A 80 -2.998 -0.891 7.334 1.00 11.14 C ATOM 1299 C VAL A 80 -3.472 0.343 6.565 1.00 2.43 C ATOM 1300 O VAL A 80 -4.562 0.861 6.822 1.00 21.12 O ATOM 1301 CB VAL A 80 -4.064 -2.036 7.194 1.00 44.42 C ATOM 1302 CG1 VAL A 80 -4.144 -2.546 5.735 1.00 43.23 C ATOM 1303 CG2 VAL A 80 -3.787 -3.188 8.189 1.00 52.22 C ATOM 0 H VAL A 80 -3.635 -0.551 9.301 1.00 0.43 H new ATOM 0 HA VAL A 80 -2.057 -1.263 6.929 1.00 11.14 H new ATOM 0 HB VAL A 80 -5.038 -1.619 7.448 1.00 44.42 H new ATOM 0 HG11 VAL A 80 -4.890 -3.338 5.667 1.00 43.23 H new ATOM 0 HG12 VAL A 80 -4.427 -1.724 5.077 1.00 43.23 H new ATOM 0 HG13 VAL A 80 -3.172 -2.935 5.432 1.00 43.23 H new ATOM 0 HG21 VAL A 80 -4.542 -3.964 8.066 1.00 52.22 H new ATOM 0 HG22 VAL A 80 -2.800 -3.608 7.994 1.00 52.22 H new ATOM 0 HG23 VAL A 80 -3.823 -2.805 9.209 1.00 52.22 H new ATOM 1313 N ILE A 81 -2.632 0.815 5.644 1.00 50.43 N ATOM 1314 CA ILE A 81 -2.927 1.961 4.785 1.00 74.54 C ATOM 1315 C ILE A 81 -3.088 1.439 3.348 1.00 62.53 C ATOM 1316 O ILE A 81 -2.132 0.961 2.761 1.00 11.40 O ATOM 1317 CB ILE A 81 -1.799 3.082 4.868 1.00 3.30 C ATOM 1318 CG1 ILE A 81 -1.893 3.936 6.187 1.00 32.21 C ATOM 1319 CG2 ILE A 81 -1.835 4.012 3.633 1.00 51.43 C ATOM 1320 CD1 ILE A 81 -1.563 3.210 7.483 1.00 73.03 C ATOM 0 H ILE A 81 -1.714 0.406 5.471 1.00 50.43 H new ATOM 0 HA ILE A 81 -3.846 2.440 5.122 1.00 74.54 H new ATOM 0 HB ILE A 81 -0.846 2.552 4.883 1.00 3.30 H new ATOM 0 HG12 ILE A 81 -1.221 4.789 6.091 1.00 32.21 H new ATOM 0 HG13 ILE A 81 -2.904 4.335 6.266 1.00 32.21 H new ATOM 0 HG21 ILE A 81 -1.052 4.765 3.722 1.00 51.43 H new ATOM 0 HG22 ILE A 81 -1.672 3.424 2.730 1.00 51.43 H new ATOM 0 HG23 ILE A 81 -2.806 4.503 3.576 1.00 51.43 H new ATOM 0 HD11 ILE A 81 -1.662 3.899 8.322 1.00 73.03 H new ATOM 0 HD12 ILE A 81 -2.250 2.374 7.617 1.00 73.03 H new ATOM 0 HD13 ILE A 81 -0.540 2.836 7.440 1.00 73.03 H new ATOM 1332 N VAL A 82 -4.305 1.509 2.802 1.00 11.33 N ATOM 1333 CA VAL A 82 -4.601 1.052 1.436 1.00 3.15 C ATOM 1334 C VAL A 82 -4.696 2.285 0.516 1.00 12.15 C ATOM 1335 O VAL A 82 -5.590 3.091 0.673 1.00 33.34 O ATOM 1336 CB VAL A 82 -5.948 0.224 1.418 1.00 4.34 C ATOM 1337 CG1 VAL A 82 -6.320 -0.244 -0.008 1.00 34.02 C ATOM 1338 CG2 VAL A 82 -5.885 -0.972 2.407 1.00 14.22 C ATOM 0 H VAL A 82 -5.116 1.884 3.293 1.00 11.33 H new ATOM 0 HA VAL A 82 -3.807 0.397 1.078 1.00 3.15 H new ATOM 0 HB VAL A 82 -6.742 0.892 1.752 1.00 4.34 H new ATOM 0 HG11 VAL A 82 -7.252 -0.809 0.026 1.00 34.02 H new ATOM 0 HG12 VAL A 82 -6.445 0.624 -0.655 1.00 34.02 H new ATOM 0 HG13 VAL A 82 -5.525 -0.878 -0.402 1.00 34.02 H new ATOM 0 HG21 VAL A 82 -6.825 -1.523 2.373 1.00 14.22 H new ATOM 0 HG22 VAL A 82 -5.066 -1.634 2.126 1.00 14.22 H new ATOM 0 HG23 VAL A 82 -5.719 -0.600 3.418 1.00 14.22 H new ATOM 1348 N ILE A 83 -3.746 2.451 -0.418 1.00 31.50 N ATOM 1349 CA ILE A 83 -3.711 3.598 -1.355 1.00 64.31 C ATOM 1350 C ILE A 83 -4.048 3.111 -2.768 1.00 15.23 C ATOM 1351 O ILE A 83 -3.272 2.391 -3.378 1.00 10.15 O ATOM 1352 CB ILE A 83 -2.298 4.294 -1.347 1.00 71.41 C ATOM 1353 CG1 ILE A 83 -1.954 4.777 0.094 1.00 63.21 C ATOM 1354 CG2 ILE A 83 -2.229 5.460 -2.373 1.00 65.24 C ATOM 1355 CD1 ILE A 83 -0.560 5.341 0.272 1.00 72.22 C ATOM 0 H ILE A 83 -2.976 1.795 -0.549 1.00 31.50 H new ATOM 0 HA ILE A 83 -4.449 4.333 -1.033 1.00 64.31 H new ATOM 0 HB ILE A 83 -1.550 3.563 -1.654 1.00 71.41 H new ATOM 0 HG12 ILE A 83 -2.676 5.539 0.386 1.00 63.21 H new ATOM 0 HG13 ILE A 83 -2.079 3.939 0.780 1.00 63.21 H new ATOM 0 HG21 ILE A 83 -1.240 5.916 -2.339 1.00 65.24 H new ATOM 0 HG22 ILE A 83 -2.417 5.074 -3.375 1.00 65.24 H new ATOM 0 HG23 ILE A 83 -2.982 6.208 -2.125 1.00 65.24 H new ATOM 0 HD11 ILE A 83 -0.421 5.648 1.309 1.00 72.22 H new ATOM 0 HD12 ILE A 83 0.176 4.578 0.018 1.00 72.22 H new ATOM 0 HD13 ILE A 83 -0.430 6.203 -0.382 1.00 72.22 H new ATOM 1367 N ILE A 84 -5.213 3.493 -3.284 1.00 35.22 N ATOM 1368 CA ILE A 84 -5.694 3.031 -4.594 1.00 51.22 C ATOM 1369 C ILE A 84 -5.550 4.157 -5.626 1.00 51.11 C ATOM 1370 O ILE A 84 -5.978 5.290 -5.379 1.00 44.11 O ATOM 1371 CB ILE A 84 -7.178 2.525 -4.484 1.00 63.43 C ATOM 1372 CG1 ILE A 84 -7.249 1.407 -3.393 1.00 3.40 C ATOM 1373 CG2 ILE A 84 -7.716 2.024 -5.854 1.00 33.14 C ATOM 1374 CD1 ILE A 84 -8.621 0.855 -3.117 1.00 21.22 C ATOM 0 H ILE A 84 -5.853 4.131 -2.811 1.00 35.22 H new ATOM 0 HA ILE A 84 -5.088 2.189 -4.928 1.00 51.22 H new ATOM 0 HB ILE A 84 -7.820 3.355 -4.190 1.00 63.43 H new ATOM 0 HG12 ILE A 84 -6.601 0.585 -3.698 1.00 3.40 H new ATOM 0 HG13 ILE A 84 -6.843 1.805 -2.463 1.00 3.40 H new ATOM 0 HG21 ILE A 84 -8.745 1.682 -5.738 1.00 33.14 H new ATOM 0 HG22 ILE A 84 -7.684 2.839 -6.578 1.00 33.14 H new ATOM 0 HG23 ILE A 84 -7.097 1.199 -6.208 1.00 33.14 H new ATOM 0 HD11 ILE A 84 -8.556 0.088 -2.346 1.00 21.22 H new ATOM 0 HD12 ILE A 84 -9.274 1.658 -2.776 1.00 21.22 H new ATOM 0 HD13 ILE A 84 -9.028 0.419 -4.029 1.00 21.22 H new ATOM 1386 N VAL A 85 -4.895 3.828 -6.754 1.00 13.42 N ATOM 1387 CA VAL A 85 -4.612 4.744 -7.858 1.00 50.44 C ATOM 1388 C VAL A 85 -5.453 4.312 -9.067 1.00 22.52 C ATOM 1389 O VAL A 85 -5.202 3.239 -9.638 1.00 74.53 O ATOM 1390 CB VAL A 85 -3.080 4.725 -8.254 1.00 2.24 C ATOM 1391 CG1 VAL A 85 -2.732 5.914 -9.186 1.00 41.14 C ATOM 1392 CG2 VAL A 85 -2.168 4.686 -6.998 1.00 2.53 C ATOM 0 H VAL A 85 -4.540 2.887 -6.921 1.00 13.42 H new ATOM 0 HA VAL A 85 -4.862 5.758 -7.546 1.00 50.44 H new ATOM 0 HB VAL A 85 -2.890 3.808 -8.811 1.00 2.24 H new ATOM 0 HG11 VAL A 85 -1.673 5.877 -9.443 1.00 41.14 H new ATOM 0 HG12 VAL A 85 -3.329 5.850 -10.096 1.00 41.14 H new ATOM 0 HG13 VAL A 85 -2.949 6.852 -8.675 1.00 41.14 H new ATOM 0 HG21 VAL A 85 -1.123 4.674 -7.307 1.00 2.53 H new ATOM 0 HG22 VAL A 85 -2.355 5.568 -6.385 1.00 2.53 H new ATOM 0 HG23 VAL A 85 -2.385 3.789 -6.418 1.00 2.53 H new ATOM 1402 N SER A 86 -6.450 5.124 -9.427 1.00 13.54 N ATOM 1403 CA SER A 86 -7.350 4.837 -10.552 1.00 4.50 C ATOM 1404 C SER A 86 -7.887 6.149 -11.132 1.00 42.14 C ATOM 1405 O SER A 86 -8.172 7.098 -10.388 1.00 21.41 O ATOM 1406 CB SER A 86 -8.522 3.931 -10.090 1.00 73.11 C ATOM 1407 OG SER A 86 -9.394 3.600 -11.162 1.00 23.32 O ATOM 0 H SER A 86 -6.658 6.000 -8.948 1.00 13.54 H new ATOM 0 HA SER A 86 -6.793 4.308 -11.326 1.00 4.50 H new ATOM 0 HB2 SER A 86 -8.122 3.016 -9.652 1.00 73.11 H new ATOM 0 HB3 SER A 86 -9.086 4.439 -9.308 1.00 73.11 H new ATOM 0 HG SER A 86 -9.668 2.662 -11.083 1.00 23.32 H new ATOM 1413 N GLN A 87 -8.007 6.188 -12.474 1.00 0.32 N ATOM 1414 CA GLN A 87 -8.657 7.294 -13.203 1.00 33.45 C ATOM 1415 C GLN A 87 -10.180 7.273 -12.949 1.00 74.31 C ATOM 1416 O GLN A 87 -10.852 8.310 -13.007 1.00 12.12 O ATOM 1417 CB GLN A 87 -8.362 7.192 -14.726 1.00 12.15 C ATOM 1418 CG GLN A 87 -8.923 5.920 -15.412 1.00 31.14 C ATOM 1419 CD GLN A 87 -8.652 5.836 -16.918 1.00 4.31 C ATOM 1420 OE1 GLN A 87 -8.540 6.849 -17.609 1.00 11.11 O ATOM 1421 NE2 GLN A 87 -8.571 4.628 -17.445 1.00 71.31 N ATOM 0 H GLN A 87 -7.654 5.451 -13.084 1.00 0.32 H new ATOM 0 HA GLN A 87 -8.252 8.238 -12.837 1.00 33.45 H new ATOM 0 HB2 GLN A 87 -8.778 8.069 -15.222 1.00 12.15 H new ATOM 0 HB3 GLN A 87 -7.283 7.223 -14.876 1.00 12.15 H new ATOM 0 HG2 GLN A 87 -8.493 5.043 -14.929 1.00 31.14 H new ATOM 0 HG3 GLN A 87 -10.000 5.879 -15.247 1.00 31.14 H new ATOM 0 HE21 GLN A 87 -8.667 3.805 -16.851 1.00 71.31 H new ATOM 0 HE22 GLN A 87 -8.412 4.518 -18.447 1.00 71.31 H new ATOM 1430 N ASP A 88 -10.700 6.066 -12.659 1.00 23.01 N ATOM 1431 CA ASP A 88 -12.109 5.844 -12.335 1.00 21.51 C ATOM 1432 C ASP A 88 -12.346 6.186 -10.864 1.00 71.31 C ATOM 1433 O ASP A 88 -11.900 5.454 -9.975 1.00 71.24 O ATOM 1434 CB ASP A 88 -12.508 4.370 -12.602 1.00 13.34 C ATOM 1435 CG ASP A 88 -12.253 3.925 -14.048 1.00 40.04 C ATOM 1436 OD1 ASP A 88 -13.143 4.110 -14.908 1.00 51.51 O ATOM 1437 OD2 ASP A 88 -11.154 3.398 -14.333 1.00 5.40 O ATOM 0 H ASP A 88 -10.142 5.212 -12.645 1.00 23.01 H new ATOM 0 HA ASP A 88 -12.723 6.485 -12.968 1.00 21.51 H new ATOM 0 HB2 ASP A 88 -11.950 3.722 -11.926 1.00 13.34 H new ATOM 0 HB3 ASP A 88 -13.565 4.239 -12.370 1.00 13.34 H new ATOM 1442 N GLU A 89 -13.023 7.322 -10.626 1.00 42.03 N ATOM 1443 CA GLU A 89 -13.462 7.751 -9.282 1.00 54.30 C ATOM 1444 C GLU A 89 -14.449 6.708 -8.698 1.00 40.54 C ATOM 1445 O GLU A 89 -14.485 6.486 -7.493 1.00 14.13 O ATOM 1446 CB GLU A 89 -14.094 9.178 -9.380 1.00 53.33 C ATOM 1447 CG GLU A 89 -14.238 9.968 -8.049 1.00 61.04 C ATOM 1448 CD GLU A 89 -15.344 9.454 -7.106 1.00 1.30 C ATOM 1449 OE1 GLU A 89 -16.528 9.459 -7.520 1.00 51.53 O ATOM 1450 OE2 GLU A 89 -15.046 9.056 -5.963 1.00 41.10 O ATOM 0 H GLU A 89 -13.284 7.975 -11.365 1.00 42.03 H new ATOM 0 HA GLU A 89 -12.612 7.809 -8.602 1.00 54.30 H new ATOM 0 HB2 GLU A 89 -13.489 9.772 -10.065 1.00 53.33 H new ATOM 0 HB3 GLU A 89 -15.083 9.083 -9.828 1.00 53.33 H new ATOM 0 HG2 GLU A 89 -13.286 9.936 -7.520 1.00 61.04 H new ATOM 0 HG3 GLU A 89 -14.438 11.014 -8.284 1.00 61.04 H new ATOM 1457 N GLU A 90 -15.212 6.057 -9.596 1.00 33.12 N ATOM 1458 CA GLU A 90 -16.141 4.963 -9.255 1.00 74.53 C ATOM 1459 C GLU A 90 -15.387 3.759 -8.635 1.00 11.23 C ATOM 1460 O GLU A 90 -15.852 3.168 -7.657 1.00 14.45 O ATOM 1461 CB GLU A 90 -16.901 4.540 -10.537 1.00 45.22 C ATOM 1462 CG GLU A 90 -17.718 5.674 -11.199 1.00 5.34 C ATOM 1463 CD GLU A 90 -18.298 5.281 -12.571 1.00 12.24 C ATOM 1464 OE1 GLU A 90 -19.261 4.491 -12.620 1.00 70.30 O ATOM 1465 OE2 GLU A 90 -17.787 5.748 -13.610 1.00 12.45 O ATOM 0 H GLU A 90 -15.200 6.279 -10.592 1.00 33.12 H new ATOM 0 HA GLU A 90 -16.852 5.313 -8.507 1.00 74.53 H new ATOM 0 HB2 GLU A 90 -16.182 4.156 -11.261 1.00 45.22 H new ATOM 0 HB3 GLU A 90 -17.575 3.719 -10.291 1.00 45.22 H new ATOM 0 HG2 GLU A 90 -18.534 5.961 -10.535 1.00 5.34 H new ATOM 0 HG3 GLU A 90 -17.081 6.550 -11.318 1.00 5.34 H new ATOM 1472 N ALA A 91 -14.210 3.430 -9.210 1.00 41.02 N ATOM 1473 CA ALA A 91 -13.331 2.357 -8.705 1.00 45.51 C ATOM 1474 C ALA A 91 -12.696 2.758 -7.365 1.00 40.30 C ATOM 1475 O ALA A 91 -12.590 1.936 -6.446 1.00 64.53 O ATOM 1476 CB ALA A 91 -12.244 2.023 -9.730 1.00 52.23 C ATOM 0 H ALA A 91 -13.844 3.902 -10.037 1.00 41.02 H new ATOM 0 HA ALA A 91 -13.941 1.468 -8.544 1.00 45.51 H new ATOM 0 HB1 ALA A 91 -11.607 1.230 -9.339 1.00 52.23 H new ATOM 0 HB2 ALA A 91 -12.709 1.690 -10.658 1.00 52.23 H new ATOM 0 HB3 ALA A 91 -11.642 2.910 -9.924 1.00 52.23 H new ATOM 1482 N LEU A 92 -12.287 4.043 -7.277 1.00 3.21 N ATOM 1483 CA LEU A 92 -11.751 4.642 -6.042 1.00 73.44 C ATOM 1484 C LEU A 92 -12.777 4.562 -4.902 1.00 12.13 C ATOM 1485 O LEU A 92 -12.410 4.292 -3.770 1.00 72.34 O ATOM 1486 CB LEU A 92 -11.342 6.124 -6.274 1.00 61.21 C ATOM 1487 CG LEU A 92 -10.111 6.373 -7.198 1.00 1.04 C ATOM 1488 CD1 LEU A 92 -9.830 7.881 -7.337 1.00 50.33 C ATOM 1489 CD2 LEU A 92 -8.867 5.623 -6.688 1.00 20.43 C ATOM 0 H LEU A 92 -12.321 4.692 -8.063 1.00 3.21 H new ATOM 0 HA LEU A 92 -10.866 4.072 -5.760 1.00 73.44 H new ATOM 0 HB2 LEU A 92 -12.197 6.651 -6.697 1.00 61.21 H new ATOM 0 HB3 LEU A 92 -11.137 6.576 -5.304 1.00 61.21 H new ATOM 0 HG LEU A 92 -10.349 5.979 -8.186 1.00 1.04 H new ATOM 0 HD11 LEU A 92 -8.967 8.032 -7.986 1.00 50.33 H new ATOM 0 HD12 LEU A 92 -10.700 8.375 -7.770 1.00 50.33 H new ATOM 0 HD13 LEU A 92 -9.624 8.305 -6.354 1.00 50.33 H new ATOM 0 HD21 LEU A 92 -8.026 5.817 -7.354 1.00 20.43 H new ATOM 0 HD22 LEU A 92 -8.621 5.967 -5.683 1.00 20.43 H new ATOM 0 HD23 LEU A 92 -9.072 4.553 -6.665 1.00 20.43 H new ATOM 1501 N ARG A 93 -14.062 4.782 -5.245 1.00 51.42 N ATOM 1502 CA ARG A 93 -15.178 4.767 -4.288 1.00 50.22 C ATOM 1503 C ARG A 93 -15.389 3.353 -3.709 1.00 21.12 C ATOM 1504 O ARG A 93 -15.536 3.202 -2.485 1.00 62.34 O ATOM 1505 CB ARG A 93 -16.478 5.286 -4.973 1.00 11.00 C ATOM 1506 CG ARG A 93 -17.719 5.242 -4.056 1.00 0.03 C ATOM 1507 CD ARG A 93 -19.011 5.749 -4.710 1.00 21.33 C ATOM 1508 NE ARG A 93 -20.184 5.532 -3.830 1.00 0.33 N ATOM 1509 CZ ARG A 93 -21.393 5.092 -4.227 1.00 14.13 C ATOM 1510 NH1 ARG A 93 -21.636 4.802 -5.504 1.00 64.24 N ATOM 1511 NH2 ARG A 93 -22.359 4.938 -3.333 1.00 72.23 N ATOM 0 H ARG A 93 -14.353 4.976 -6.203 1.00 51.42 H new ATOM 0 HA ARG A 93 -14.932 5.431 -3.460 1.00 50.22 H new ATOM 0 HB2 ARG A 93 -16.319 6.312 -5.306 1.00 11.00 H new ATOM 0 HB3 ARG A 93 -16.673 4.688 -5.863 1.00 11.00 H new ATOM 0 HG2 ARG A 93 -17.873 4.215 -3.724 1.00 0.03 H new ATOM 0 HG3 ARG A 93 -17.519 5.838 -3.166 1.00 0.03 H new ATOM 0 HD2 ARG A 93 -18.914 6.811 -4.935 1.00 21.33 H new ATOM 0 HD3 ARG A 93 -19.166 5.235 -5.659 1.00 21.33 H new ATOM 0 HE ARG A 93 -20.065 5.734 -2.837 1.00 0.33 H new ATOM 0 HH11 ARG A 93 -20.899 4.912 -6.201 1.00 64.24 H new ATOM 0 HH12 ARG A 93 -22.559 4.470 -5.785 1.00 64.24 H new ATOM 0 HH21 ARG A 93 -22.184 5.152 -2.351 1.00 72.23 H new ATOM 0 HH22 ARG A 93 -23.277 4.605 -3.627 1.00 72.23 H new ATOM 1525 N LYS A 94 -15.366 2.325 -4.599 1.00 65.23 N ATOM 1526 CA LYS A 94 -15.559 0.912 -4.198 1.00 43.33 C ATOM 1527 C LYS A 94 -14.453 0.483 -3.235 1.00 45.25 C ATOM 1528 O LYS A 94 -14.725 0.016 -2.133 1.00 21.35 O ATOM 1529 CB LYS A 94 -15.556 -0.042 -5.429 1.00 75.13 C ATOM 1530 CG LYS A 94 -16.720 0.156 -6.418 1.00 33.32 C ATOM 1531 CD LYS A 94 -16.708 -0.889 -7.558 1.00 72.13 C ATOM 1532 CE LYS A 94 -17.891 -0.735 -8.525 1.00 21.44 C ATOM 1533 NZ LYS A 94 -17.934 -1.833 -9.528 1.00 65.45 N ATOM 0 H LYS A 94 -15.215 2.453 -5.600 1.00 65.23 H new ATOM 0 HA LYS A 94 -16.531 0.843 -3.709 1.00 43.33 H new ATOM 0 HB2 LYS A 94 -14.617 0.089 -5.967 1.00 75.13 H new ATOM 0 HB3 LYS A 94 -15.577 -1.071 -5.070 1.00 75.13 H new ATOM 0 HG2 LYS A 94 -17.666 0.092 -5.880 1.00 33.32 H new ATOM 0 HG3 LYS A 94 -16.664 1.157 -6.846 1.00 33.32 H new ATOM 0 HD2 LYS A 94 -15.776 -0.800 -8.116 1.00 72.13 H new ATOM 0 HD3 LYS A 94 -16.726 -1.890 -7.126 1.00 72.13 H new ATOM 0 HE2 LYS A 94 -18.823 -0.723 -7.960 1.00 21.44 H new ATOM 0 HE3 LYS A 94 -17.818 0.223 -9.039 1.00 21.44 H new ATOM 0 HZ1 LYS A 94 -18.747 -1.693 -10.162 1.00 65.45 H new ATOM 0 HZ2 LYS A 94 -17.056 -1.829 -10.085 1.00 65.45 H new ATOM 0 HZ3 LYS A 94 -18.030 -2.746 -9.039 1.00 65.45 H new ATOM 1547 N GLY A 95 -13.206 0.727 -3.662 1.00 34.54 N ATOM 1548 CA GLY A 95 -12.029 0.309 -2.918 1.00 53.43 C ATOM 1549 C GLY A 95 -11.821 1.081 -1.627 1.00 51.32 C ATOM 1550 O GLY A 95 -11.276 0.539 -0.657 1.00 21.10 O ATOM 0 H GLY A 95 -12.995 1.218 -4.531 1.00 34.54 H new ATOM 0 HA2 GLY A 95 -12.113 -0.753 -2.687 1.00 53.43 H new ATOM 0 HA3 GLY A 95 -11.149 0.429 -3.549 1.00 53.43 H new ATOM 1554 N TYR A 96 -12.245 2.362 -1.627 1.00 14.54 N ATOM 1555 CA TYR A 96 -12.117 3.238 -0.454 1.00 30.33 C ATOM 1556 C TYR A 96 -12.977 2.714 0.683 1.00 74.12 C ATOM 1557 O TYR A 96 -12.464 2.363 1.744 1.00 32.02 O ATOM 1558 CB TYR A 96 -12.516 4.701 -0.790 1.00 12.32 C ATOM 1559 CG TYR A 96 -12.518 5.666 0.409 1.00 14.22 C ATOM 1560 CD1 TYR A 96 -11.343 5.937 1.115 1.00 21.44 C ATOM 1561 CD2 TYR A 96 -13.697 6.287 0.853 1.00 13.02 C ATOM 1562 CE1 TYR A 96 -11.338 6.785 2.200 1.00 1.44 C ATOM 1563 CE2 TYR A 96 -13.691 7.133 1.946 1.00 13.23 C ATOM 1564 CZ TYR A 96 -12.509 7.380 2.612 1.00 44.15 C ATOM 1565 OH TYR A 96 -12.509 8.212 3.712 1.00 73.43 O ATOM 0 H TYR A 96 -12.681 2.810 -2.433 1.00 14.54 H new ATOM 0 HA TYR A 96 -11.071 3.237 -0.148 1.00 30.33 H new ATOM 0 HB2 TYR A 96 -11.830 5.085 -1.545 1.00 12.32 H new ATOM 0 HB3 TYR A 96 -13.511 4.697 -1.236 1.00 12.32 H new ATOM 0 HD1 TYR A 96 -10.420 5.472 0.803 1.00 21.44 H new ATOM 0 HD2 TYR A 96 -14.624 6.100 0.331 1.00 13.02 H new ATOM 0 HE1 TYR A 96 -10.416 6.983 2.727 1.00 1.44 H new ATOM 0 HE2 TYR A 96 -14.608 7.598 2.277 1.00 13.23 H new ATOM 0 HH TYR A 96 -13.416 8.550 3.867 1.00 73.43 H new ATOM 1575 N GLU A 97 -14.280 2.610 0.406 1.00 43.04 N ATOM 1576 CA GLU A 97 -15.278 2.317 1.426 1.00 43.04 C ATOM 1577 C GLU A 97 -15.196 0.854 1.872 1.00 42.24 C ATOM 1578 O GLU A 97 -15.199 0.598 3.065 1.00 73.34 O ATOM 1579 CB GLU A 97 -16.686 2.702 0.916 1.00 52.31 C ATOM 1580 CG GLU A 97 -16.809 4.195 0.540 1.00 32.53 C ATOM 1581 CD GLU A 97 -18.237 4.612 0.180 1.00 72.12 C ATOM 1582 OE1 GLU A 97 -19.061 4.796 1.102 1.00 53.44 O ATOM 1583 OE2 GLU A 97 -18.555 4.748 -1.015 1.00 13.25 O ATOM 0 H GLU A 97 -14.667 2.727 -0.530 1.00 43.04 H new ATOM 0 HA GLU A 97 -15.072 2.921 2.310 1.00 43.04 H new ATOM 0 HB2 GLU A 97 -16.929 2.093 0.045 1.00 52.31 H new ATOM 0 HB3 GLU A 97 -17.421 2.466 1.685 1.00 52.31 H new ATOM 0 HG2 GLU A 97 -16.460 4.803 1.375 1.00 32.53 H new ATOM 0 HG3 GLU A 97 -16.152 4.405 -0.304 1.00 32.53 H new ATOM 1590 N ASP A 98 -15.035 -0.079 0.906 1.00 72.33 N ATOM 1591 CA ASP A 98 -14.994 -1.541 1.172 1.00 54.24 C ATOM 1592 C ASP A 98 -13.916 -1.903 2.217 1.00 2.44 C ATOM 1593 O ASP A 98 -14.197 -2.616 3.182 1.00 63.44 O ATOM 1594 CB ASP A 98 -14.745 -2.321 -0.149 1.00 13.13 C ATOM 1595 CG ASP A 98 -14.634 -3.850 0.019 1.00 63.22 C ATOM 1596 OD1 ASP A 98 -15.536 -4.464 0.620 1.00 22.34 O ATOM 1597 OD2 ASP A 98 -13.661 -4.457 -0.481 1.00 44.44 O ATOM 0 H ASP A 98 -14.930 0.157 -0.081 1.00 72.33 H new ATOM 0 HA ASP A 98 -15.962 -1.829 1.582 1.00 54.24 H new ATOM 0 HB2 ASP A 98 -15.557 -2.103 -0.843 1.00 13.13 H new ATOM 0 HB3 ASP A 98 -13.827 -1.951 -0.606 1.00 13.13 H new ATOM 1602 N LYS A 99 -12.700 -1.371 2.018 1.00 24.43 N ATOM 1603 CA LYS A 99 -11.542 -1.646 2.895 1.00 53.12 C ATOM 1604 C LYS A 99 -11.641 -0.841 4.214 1.00 62.34 C ATOM 1605 O LYS A 99 -11.245 -1.328 5.275 1.00 52.31 O ATOM 1606 CB LYS A 99 -10.194 -1.349 2.153 1.00 23.15 C ATOM 1607 CG LYS A 99 -9.740 -2.432 1.129 1.00 23.41 C ATOM 1608 CD LYS A 99 -10.722 -2.596 -0.053 1.00 62.32 C ATOM 1609 CE LYS A 99 -10.273 -3.639 -1.080 1.00 70.31 C ATOM 1610 NZ LYS A 99 -11.293 -3.816 -2.145 1.00 53.35 N ATOM 0 H LYS A 99 -12.488 -0.738 1.247 1.00 24.43 H new ATOM 0 HA LYS A 99 -11.557 -2.706 3.149 1.00 53.12 H new ATOM 0 HB2 LYS A 99 -10.289 -0.397 1.631 1.00 23.15 H new ATOM 0 HB3 LYS A 99 -9.408 -1.227 2.898 1.00 23.15 H new ATOM 0 HG2 LYS A 99 -8.756 -2.168 0.742 1.00 23.41 H new ATOM 0 HG3 LYS A 99 -9.635 -3.388 1.642 1.00 23.41 H new ATOM 0 HD2 LYS A 99 -11.701 -2.878 0.335 1.00 62.32 H new ATOM 0 HD3 LYS A 99 -10.841 -1.634 -0.552 1.00 62.32 H new ATOM 0 HE2 LYS A 99 -9.327 -3.331 -1.526 1.00 70.31 H new ATOM 0 HE3 LYS A 99 -10.095 -4.592 -0.581 1.00 70.31 H new ATOM 0 HZ1 LYS A 99 -11.084 -4.679 -2.686 1.00 53.35 H new ATOM 0 HZ2 LYS A 99 -12.235 -3.898 -1.713 1.00 53.35 H new ATOM 0 HZ3 LYS A 99 -11.275 -2.995 -2.783 1.00 53.35 H new ATOM 1624 N LYS A 100 -12.197 0.380 4.132 1.00 22.51 N ATOM 1625 CA LYS A 100 -12.384 1.272 5.307 1.00 22.14 C ATOM 1626 C LYS A 100 -13.454 0.708 6.276 1.00 1.41 C ATOM 1627 O LYS A 100 -13.389 0.945 7.491 1.00 54.14 O ATOM 1628 CB LYS A 100 -12.755 2.692 4.816 1.00 24.11 C ATOM 1629 CG LYS A 100 -12.877 3.771 5.910 1.00 64.13 C ATOM 1630 CD LYS A 100 -13.210 5.157 5.316 1.00 21.30 C ATOM 1631 CE LYS A 100 -13.474 6.223 6.394 1.00 45.13 C ATOM 1632 NZ LYS A 100 -14.699 5.926 7.186 1.00 2.42 N ATOM 0 H LYS A 100 -12.531 0.782 3.256 1.00 22.51 H new ATOM 0 HA LYS A 100 -11.450 1.326 5.867 1.00 22.14 H new ATOM 0 HB2 LYS A 100 -12.003 3.015 4.096 1.00 24.11 H new ATOM 0 HB3 LYS A 100 -13.703 2.635 4.282 1.00 24.11 H new ATOM 0 HG2 LYS A 100 -13.654 3.483 6.619 1.00 64.13 H new ATOM 0 HG3 LYS A 100 -11.942 3.830 6.468 1.00 64.13 H new ATOM 0 HD2 LYS A 100 -12.384 5.484 4.684 1.00 21.30 H new ATOM 0 HD3 LYS A 100 -14.087 5.071 4.675 1.00 21.30 H new ATOM 0 HE2 LYS A 100 -12.616 6.282 7.063 1.00 45.13 H new ATOM 0 HE3 LYS A 100 -13.577 7.199 5.920 1.00 45.13 H new ATOM 0 HZ1 LYS A 100 -14.925 6.739 7.794 1.00 2.42 H new ATOM 0 HZ2 LYS A 100 -15.494 5.744 6.541 1.00 2.42 H new ATOM 0 HZ3 LYS A 100 -14.535 5.087 7.778 1.00 2.42 H new ATOM 1646 N LYS A 101 -14.414 -0.062 5.718 1.00 31.14 N ATOM 1647 CA LYS A 101 -15.433 -0.810 6.492 1.00 3.31 C ATOM 1648 C LYS A 101 -14.769 -1.935 7.299 1.00 54.12 C ATOM 1649 O LYS A 101 -15.198 -2.253 8.410 1.00 33.35 O ATOM 1650 CB LYS A 101 -16.507 -1.411 5.542 1.00 11.53 C ATOM 1651 CG LYS A 101 -17.435 -0.373 4.867 1.00 21.21 C ATOM 1652 CD LYS A 101 -18.313 -0.994 3.750 1.00 44.40 C ATOM 1653 CE LYS A 101 -19.215 -2.134 4.255 1.00 41.50 C ATOM 1654 NZ LYS A 101 -20.026 -2.736 3.165 1.00 4.41 N ATOM 0 H LYS A 101 -14.505 -0.184 4.709 1.00 31.14 H new ATOM 0 HA LYS A 101 -15.918 -0.116 7.178 1.00 3.31 H new ATOM 0 HB2 LYS A 101 -16.003 -1.985 4.765 1.00 11.53 H new ATOM 0 HB3 LYS A 101 -17.121 -2.111 6.108 1.00 11.53 H new ATOM 0 HG2 LYS A 101 -18.079 0.078 5.622 1.00 21.21 H new ATOM 0 HG3 LYS A 101 -16.830 0.429 4.444 1.00 21.21 H new ATOM 0 HD2 LYS A 101 -18.935 -0.215 3.309 1.00 44.40 H new ATOM 0 HD3 LYS A 101 -17.668 -1.373 2.957 1.00 44.40 H new ATOM 0 HE2 LYS A 101 -18.598 -2.906 4.715 1.00 41.50 H new ATOM 0 HE3 LYS A 101 -19.879 -1.753 5.031 1.00 41.50 H new ATOM 0 HZ1 LYS A 101 -20.617 -3.499 3.553 1.00 4.41 H new ATOM 0 HZ2 LYS A 101 -20.635 -2.007 2.742 1.00 4.41 H new ATOM 0 HZ3 LYS A 101 -19.394 -3.124 2.436 1.00 4.41 H new ATOM 1668 N LYS A 102 -13.703 -2.520 6.719 1.00 25.43 N ATOM 1669 CA LYS A 102 -12.902 -3.578 7.368 1.00 30.45 C ATOM 1670 C LYS A 102 -11.892 -2.974 8.368 1.00 10.21 C ATOM 1671 O LYS A 102 -11.119 -3.710 8.976 1.00 41.43 O ATOM 1672 CB LYS A 102 -12.135 -4.400 6.300 1.00 45.54 C ATOM 1673 CG LYS A 102 -12.984 -4.865 5.106 1.00 33.30 C ATOM 1674 CD LYS A 102 -12.165 -5.665 4.057 1.00 12.22 C ATOM 1675 CE LYS A 102 -12.833 -5.681 2.676 1.00 44.52 C ATOM 1676 NZ LYS A 102 -14.270 -6.047 2.744 1.00 11.15 N ATOM 0 H LYS A 102 -13.372 -2.273 5.786 1.00 25.43 H new ATOM 0 HA LYS A 102 -13.587 -4.230 7.911 1.00 30.45 H new ATOM 0 HB2 LYS A 102 -11.307 -3.798 5.925 1.00 45.54 H new ATOM 0 HB3 LYS A 102 -11.700 -5.276 6.781 1.00 45.54 H new ATOM 0 HG2 LYS A 102 -13.804 -5.485 5.469 1.00 33.30 H new ATOM 0 HG3 LYS A 102 -13.431 -3.996 4.624 1.00 33.30 H new ATOM 0 HD2 LYS A 102 -11.169 -5.230 3.970 1.00 12.22 H new ATOM 0 HD3 LYS A 102 -12.036 -6.689 4.406 1.00 12.22 H new ATOM 0 HE2 LYS A 102 -12.733 -4.698 2.216 1.00 44.52 H new ATOM 0 HE3 LYS A 102 -12.311 -6.389 2.032 1.00 44.52 H new ATOM 0 HZ1 LYS A 102 -14.715 -5.881 1.819 1.00 11.15 H new ATOM 0 HZ2 LYS A 102 -14.361 -7.052 2.996 1.00 11.15 H new ATOM 0 HZ3 LYS A 102 -14.743 -5.465 3.465 1.00 11.15 H new ATOM 1690 N GLY A 103 -11.894 -1.629 8.497 1.00 42.32 N ATOM 1691 CA GLY A 103 -11.045 -0.922 9.453 1.00 52.43 C ATOM 1692 C GLY A 103 -9.625 -0.734 8.955 1.00 30.04 C ATOM 1693 O GLY A 103 -8.660 -1.028 9.675 1.00 41.14 O ATOM 0 H GLY A 103 -12.486 -1.014 7.939 1.00 42.32 H new ATOM 0 HA2 GLY A 103 -11.482 0.054 9.667 1.00 52.43 H new ATOM 0 HA3 GLY A 103 -11.025 -1.475 10.392 1.00 52.43 H new ATOM 1697 N TYR A 104 -9.492 -0.278 7.702 1.00 72.21 N ATOM 1698 CA TYR A 104 -8.194 0.092 7.104 1.00 74.22 C ATOM 1699 C TYR A 104 -8.216 1.592 6.760 1.00 64.42 C ATOM 1700 O TYR A 104 -9.259 2.116 6.343 1.00 13.01 O ATOM 1701 CB TYR A 104 -7.904 -0.750 5.822 1.00 21.03 C ATOM 1702 CG TYR A 104 -8.066 -2.283 5.970 1.00 4.20 C ATOM 1703 CD1 TYR A 104 -7.651 -2.967 7.115 1.00 22.00 C ATOM 1704 CD2 TYR A 104 -8.653 -3.041 4.955 1.00 45.43 C ATOM 1705 CE1 TYR A 104 -7.815 -4.336 7.230 1.00 33.01 C ATOM 1706 CE2 TYR A 104 -8.820 -4.401 5.067 1.00 61.31 C ATOM 1707 CZ TYR A 104 -8.405 -5.047 6.205 1.00 52.22 C ATOM 1708 OH TYR A 104 -8.573 -6.409 6.314 1.00 71.31 O ATOM 0 H TYR A 104 -10.282 -0.154 7.069 1.00 72.21 H new ATOM 0 HA TYR A 104 -7.400 -0.115 7.822 1.00 74.22 H new ATOM 0 HB2 TYR A 104 -8.569 -0.409 5.028 1.00 21.03 H new ATOM 0 HB3 TYR A 104 -6.885 -0.541 5.496 1.00 21.03 H new ATOM 0 HD1 TYR A 104 -7.194 -2.418 7.925 1.00 22.00 H new ATOM 0 HD2 TYR A 104 -8.986 -2.544 4.055 1.00 45.43 H new ATOM 0 HE1 TYR A 104 -7.482 -4.848 8.121 1.00 33.01 H new ATOM 0 HE2 TYR A 104 -9.276 -4.959 4.263 1.00 61.31 H new ATOM 0 HH TYR A 104 -9.005 -6.751 5.504 1.00 71.31 H new ATOM 1718 N ASP A 105 -7.078 2.278 6.959 1.00 3.24 N ATOM 1719 CA ASP A 105 -6.921 3.697 6.587 1.00 14.51 C ATOM 1720 C ASP A 105 -6.693 3.785 5.075 1.00 50.42 C ATOM 1721 O ASP A 105 -5.584 3.558 4.594 1.00 74.41 O ATOM 1722 CB ASP A 105 -5.716 4.321 7.344 1.00 52.41 C ATOM 1723 CG ASP A 105 -5.840 4.206 8.868 1.00 60.33 C ATOM 1724 OD1 ASP A 105 -5.513 3.133 9.419 1.00 35.34 O ATOM 1725 OD2 ASP A 105 -6.283 5.181 9.520 1.00 73.25 O ATOM 0 H ASP A 105 -6.244 1.868 7.380 1.00 3.24 H new ATOM 0 HA ASP A 105 -7.820 4.250 6.859 1.00 14.51 H new ATOM 0 HB2 ASP A 105 -4.798 3.830 7.022 1.00 52.41 H new ATOM 0 HB3 ASP A 105 -5.628 5.372 7.071 1.00 52.41 H new ATOM 1730 N VAL A 106 -7.747 4.115 4.318 1.00 34.31 N ATOM 1731 CA VAL A 106 -7.691 4.099 2.845 1.00 41.33 C ATOM 1732 C VAL A 106 -7.550 5.530 2.296 1.00 43.40 C ATOM 1733 O VAL A 106 -8.137 6.478 2.836 1.00 14.14 O ATOM 1734 CB VAL A 106 -8.937 3.366 2.212 1.00 72.40 C ATOM 1735 CG1 VAL A 106 -8.726 3.112 0.696 1.00 51.01 C ATOM 1736 CG2 VAL A 106 -9.235 2.043 2.950 1.00 71.53 C ATOM 0 H VAL A 106 -8.650 4.397 4.698 1.00 34.31 H new ATOM 0 HA VAL A 106 -6.809 3.528 2.556 1.00 41.33 H new ATOM 0 HB VAL A 106 -9.800 4.021 2.327 1.00 72.40 H new ATOM 0 HG11 VAL A 106 -9.600 2.606 0.287 1.00 51.01 H new ATOM 0 HG12 VAL A 106 -8.585 4.064 0.184 1.00 51.01 H new ATOM 0 HG13 VAL A 106 -7.844 2.488 0.551 1.00 51.01 H new ATOM 0 HG21 VAL A 106 -10.098 1.558 2.494 1.00 71.53 H new ATOM 0 HG22 VAL A 106 -8.370 1.384 2.880 1.00 71.53 H new ATOM 0 HG23 VAL A 106 -9.448 2.251 3.998 1.00 71.53 H new ATOM 1746 N TYR A 107 -6.731 5.661 1.246 1.00 51.54 N ATOM 1747 CA TYR A 107 -6.439 6.908 0.547 1.00 51.24 C ATOM 1748 C TYR A 107 -6.724 6.693 -0.941 1.00 23.45 C ATOM 1749 O TYR A 107 -6.345 5.659 -1.501 1.00 35.35 O ATOM 1750 CB TYR A 107 -4.950 7.308 0.744 1.00 31.55 C ATOM 1751 CG TYR A 107 -4.543 7.628 2.195 1.00 24.13 C ATOM 1752 CD1 TYR A 107 -4.268 6.610 3.116 1.00 13.12 C ATOM 1753 CD2 TYR A 107 -4.429 8.945 2.646 1.00 20.31 C ATOM 1754 CE1 TYR A 107 -3.895 6.892 4.416 1.00 31.11 C ATOM 1755 CE2 TYR A 107 -4.050 9.231 3.948 1.00 33.02 C ATOM 1756 CZ TYR A 107 -3.786 8.202 4.829 1.00 52.52 C ATOM 1757 OH TYR A 107 -3.403 8.487 6.128 1.00 70.33 O ATOM 0 H TYR A 107 -6.235 4.864 0.847 1.00 51.54 H new ATOM 0 HA TYR A 107 -7.060 7.710 0.945 1.00 51.24 H new ATOM 0 HB2 TYR A 107 -4.321 6.497 0.378 1.00 31.55 H new ATOM 0 HB3 TYR A 107 -4.739 8.179 0.124 1.00 31.55 H new ATOM 0 HD1 TYR A 107 -4.349 5.580 2.803 1.00 13.12 H new ATOM 0 HD2 TYR A 107 -4.641 9.757 1.966 1.00 20.31 H new ATOM 0 HE1 TYR A 107 -3.689 6.088 5.107 1.00 31.11 H new ATOM 0 HE2 TYR A 107 -3.961 10.257 4.273 1.00 33.02 H new ATOM 0 HH TYR A 107 -3.374 9.458 6.255 1.00 70.33 H new ATOM 1767 N THR A 108 -7.392 7.653 -1.571 1.00 21.35 N ATOM 1768 CA THR A 108 -7.696 7.617 -3.004 1.00 12.14 C ATOM 1769 C THR A 108 -6.839 8.650 -3.731 1.00 12.43 C ATOM 1770 O THR A 108 -6.605 9.748 -3.212 1.00 21.42 O ATOM 1771 CB THR A 108 -9.212 7.892 -3.261 1.00 70.44 C ATOM 1772 OG1 THR A 108 -9.603 9.122 -2.621 1.00 33.41 O ATOM 1773 CG2 THR A 108 -10.086 6.736 -2.736 1.00 2.52 C ATOM 0 H THR A 108 -7.743 8.487 -1.101 1.00 21.35 H new ATOM 0 HA THR A 108 -7.467 6.622 -3.386 1.00 12.14 H new ATOM 0 HB THR A 108 -9.362 7.974 -4.338 1.00 70.44 H new ATOM 0 HG1 THR A 108 -10.554 9.289 -2.787 1.00 33.41 H new ATOM 0 HG21 THR A 108 -11.136 6.957 -2.929 1.00 2.52 H new ATOM 0 HG22 THR A 108 -9.810 5.812 -3.244 1.00 2.52 H new ATOM 0 HG23 THR A 108 -9.931 6.621 -1.663 1.00 2.52 H new ATOM 1781 N SER A 109 -6.363 8.288 -4.924 1.00 23.33 N ATOM 1782 CA SER A 109 -5.523 9.156 -5.747 1.00 45.24 C ATOM 1783 C SER A 109 -6.078 9.209 -7.173 1.00 65.13 C ATOM 1784 O SER A 109 -6.417 8.170 -7.757 1.00 31.43 O ATOM 1785 CB SER A 109 -4.065 8.653 -5.716 1.00 30.22 C ATOM 1786 OG SER A 109 -3.974 7.297 -6.070 1.00 53.42 O ATOM 0 H SER A 109 -6.551 7.379 -5.347 1.00 23.33 H new ATOM 0 HA SER A 109 -5.532 10.170 -5.348 1.00 45.24 H new ATOM 0 HB2 SER A 109 -3.460 9.249 -6.400 1.00 30.22 H new ATOM 0 HB3 SER A 109 -3.652 8.797 -4.718 1.00 30.22 H new ATOM 0 HG SER A 109 -4.758 6.817 -5.730 1.00 53.42 H new ATOM 1792 N ARG A 110 -6.196 10.435 -7.706 1.00 4.33 N ATOM 1793 CA ARG A 110 -6.709 10.681 -9.061 1.00 33.14 C ATOM 1794 C ARG A 110 -5.611 10.462 -10.119 1.00 3.52 C ATOM 1795 O ARG A 110 -5.914 10.269 -11.303 1.00 65.30 O ATOM 1796 CB ARG A 110 -7.293 12.123 -9.168 1.00 33.33 C ATOM 1797 CG ARG A 110 -8.402 12.452 -8.134 1.00 20.02 C ATOM 1798 CD ARG A 110 -9.610 11.493 -8.197 1.00 3.21 C ATOM 1799 NE ARG A 110 -10.338 11.572 -9.483 1.00 4.54 N ATOM 1800 CZ ARG A 110 -10.431 10.588 -10.401 1.00 54.32 C ATOM 1801 NH1 ARG A 110 -9.843 9.413 -10.215 1.00 21.04 N ATOM 1802 NH2 ARG A 110 -11.117 10.792 -11.512 1.00 71.53 N ATOM 0 H ARG A 110 -5.937 11.286 -7.207 1.00 4.33 H new ATOM 0 HA ARG A 110 -7.508 9.966 -9.255 1.00 33.14 H new ATOM 0 HB2 ARG A 110 -6.480 12.839 -9.049 1.00 33.33 H new ATOM 0 HB3 ARG A 110 -7.697 12.263 -10.171 1.00 33.33 H new ATOM 0 HG2 ARG A 110 -7.974 12.419 -7.132 1.00 20.02 H new ATOM 0 HG3 ARG A 110 -8.749 13.472 -8.299 1.00 20.02 H new ATOM 0 HD2 ARG A 110 -9.265 10.471 -8.042 1.00 3.21 H new ATOM 0 HD3 ARG A 110 -10.295 11.725 -7.382 1.00 3.21 H new ATOM 0 HE ARG A 110 -10.812 12.450 -9.694 1.00 4.54 H new ATOM 0 HH11 ARG A 110 -9.307 9.240 -9.364 1.00 21.04 H new ATOM 0 HH12 ARG A 110 -9.927 8.683 -10.923 1.00 21.04 H new ATOM 0 HH21 ARG A 110 -11.573 11.690 -11.672 1.00 71.53 H new ATOM 0 HH22 ARG A 110 -11.190 10.051 -12.209 1.00 71.53 H new ATOM 1816 N ASN A 111 -4.339 10.482 -9.668 1.00 51.31 N ATOM 1817 CA ASN A 111 -3.158 10.364 -10.544 1.00 32.51 C ATOM 1818 C ASN A 111 -1.905 9.976 -9.722 1.00 41.13 C ATOM 1819 O ASN A 111 -1.999 9.745 -8.510 1.00 43.05 O ATOM 1820 CB ASN A 111 -2.940 11.700 -11.313 1.00 61.55 C ATOM 1821 CG ASN A 111 -2.521 12.867 -10.415 1.00 72.41 C ATOM 1822 OD1 ASN A 111 -1.343 13.126 -10.233 1.00 1.33 O ATOM 1823 ND2 ASN A 111 -3.475 13.563 -9.843 1.00 13.34 N ATOM 0 H ASN A 111 -4.103 10.581 -8.681 1.00 51.31 H new ATOM 0 HA ASN A 111 -3.330 9.571 -11.272 1.00 32.51 H new ATOM 0 HB2 ASN A 111 -2.177 11.549 -12.077 1.00 61.55 H new ATOM 0 HB3 ASN A 111 -3.862 11.965 -11.831 1.00 61.55 H new ATOM 0 HD21 ASN A 111 -3.239 14.342 -9.229 1.00 13.34 H new ATOM 0 HD22 ASN A 111 -4.452 13.325 -10.013 1.00 13.34 H new ATOM 1830 N GLU A 112 -0.743 9.930 -10.410 1.00 41.05 N ATOM 1831 CA GLU A 112 0.558 9.526 -9.838 1.00 45.13 C ATOM 1832 C GLU A 112 1.051 10.516 -8.761 1.00 62.32 C ATOM 1833 O GLU A 112 1.561 10.087 -7.735 1.00 20.32 O ATOM 1834 CB GLU A 112 1.623 9.431 -10.959 1.00 40.41 C ATOM 1835 CG GLU A 112 3.029 8.961 -10.492 1.00 54.20 C ATOM 1836 CD GLU A 112 4.165 9.589 -11.309 1.00 75.42 C ATOM 1837 OE1 GLU A 112 4.261 9.313 -12.522 1.00 11.34 O ATOM 1838 OE2 GLU A 112 4.946 10.395 -10.752 1.00 32.02 O ATOM 0 H GLU A 112 -0.683 10.178 -11.398 1.00 41.05 H new ATOM 0 HA GLU A 112 0.414 8.553 -9.367 1.00 45.13 H new ATOM 0 HB2 GLU A 112 1.263 8.744 -11.724 1.00 40.41 H new ATOM 0 HB3 GLU A 112 1.721 10.409 -11.430 1.00 40.41 H new ATOM 0 HG2 GLU A 112 3.161 9.214 -9.440 1.00 54.20 H new ATOM 0 HG3 GLU A 112 3.089 7.875 -10.569 1.00 54.20 H new ATOM 1845 N ASP A 113 0.909 11.837 -9.025 1.00 53.32 N ATOM 1846 CA ASP A 113 1.357 12.908 -8.093 1.00 44.54 C ATOM 1847 C ASP A 113 0.614 12.817 -6.757 1.00 13.05 C ATOM 1848 O ASP A 113 1.214 13.013 -5.694 1.00 5.12 O ATOM 1849 CB ASP A 113 1.159 14.317 -8.710 1.00 11.15 C ATOM 1850 CG ASP A 113 2.005 14.544 -9.968 1.00 65.12 C ATOM 1851 OD1 ASP A 113 3.209 14.844 -9.834 1.00 62.32 O ATOM 1852 OD2 ASP A 113 1.486 14.397 -11.093 1.00 13.02 O ATOM 0 H ASP A 113 0.485 12.192 -9.882 1.00 53.32 H new ATOM 0 HA ASP A 113 2.422 12.757 -7.916 1.00 44.54 H new ATOM 0 HB2 ASP A 113 0.106 14.455 -8.957 1.00 11.15 H new ATOM 0 HB3 ASP A 113 1.414 15.072 -7.966 1.00 11.15 H new ATOM 1857 N GLU A 114 -0.700 12.533 -6.836 1.00 63.34 N ATOM 1858 CA GLU A 114 -1.535 12.266 -5.654 1.00 72.25 C ATOM 1859 C GLU A 114 -1.045 11.028 -4.910 1.00 33.11 C ATOM 1860 O GLU A 114 -0.820 11.103 -3.714 1.00 42.15 O ATOM 1861 CB GLU A 114 -3.029 12.111 -6.040 1.00 23.22 C ATOM 1862 CG GLU A 114 -3.779 13.436 -6.136 1.00 40.34 C ATOM 1863 CD GLU A 114 -3.855 14.184 -4.787 1.00 12.33 C ATOM 1864 OE1 GLU A 114 -4.479 13.656 -3.830 1.00 54.15 O ATOM 1865 OE2 GLU A 114 -3.277 15.286 -4.665 1.00 74.34 O ATOM 0 H GLU A 114 -1.209 12.483 -7.718 1.00 63.34 H new ATOM 0 HA GLU A 114 -1.447 13.126 -4.990 1.00 72.25 H new ATOM 0 HB2 GLU A 114 -3.096 11.596 -6.998 1.00 23.22 H new ATOM 0 HB3 GLU A 114 -3.522 11.478 -5.302 1.00 23.22 H new ATOM 0 HG2 GLU A 114 -3.288 14.073 -6.871 1.00 40.34 H new ATOM 0 HG3 GLU A 114 -4.790 13.250 -6.500 1.00 40.34 H new ATOM 1872 N ALA A 115 -0.838 9.927 -5.662 1.00 51.41 N ATOM 1873 CA ALA A 115 -0.404 8.626 -5.113 1.00 42.50 C ATOM 1874 C ALA A 115 0.925 8.763 -4.358 1.00 30.30 C ATOM 1875 O ALA A 115 1.082 8.240 -3.260 1.00 61.33 O ATOM 1876 CB ALA A 115 -0.273 7.603 -6.251 1.00 0.24 C ATOM 0 H ALA A 115 -0.968 9.916 -6.674 1.00 51.41 H new ATOM 0 HA ALA A 115 -1.155 8.279 -4.404 1.00 42.50 H new ATOM 0 HB1 ALA A 115 0.047 6.644 -5.843 1.00 0.24 H new ATOM 0 HB2 ALA A 115 -1.237 7.483 -6.745 1.00 0.24 H new ATOM 0 HB3 ALA A 115 0.464 7.954 -6.973 1.00 0.24 H new ATOM 1882 N LYS A 116 1.831 9.543 -4.955 1.00 54.55 N ATOM 1883 CA LYS A 116 3.193 9.785 -4.457 1.00 61.24 C ATOM 1884 C LYS A 116 3.158 10.568 -3.136 1.00 70.23 C ATOM 1885 O LYS A 116 3.903 10.272 -2.193 1.00 64.32 O ATOM 1886 CB LYS A 116 3.969 10.539 -5.567 1.00 61.00 C ATOM 1887 CG LYS A 116 5.455 10.812 -5.270 1.00 43.05 C ATOM 1888 CD LYS A 116 6.254 11.212 -6.536 1.00 44.40 C ATOM 1889 CE LYS A 116 6.295 10.084 -7.587 1.00 54.52 C ATOM 1890 NZ LYS A 116 7.058 10.477 -8.803 1.00 52.30 N ATOM 0 H LYS A 116 1.633 10.039 -5.824 1.00 54.55 H new ATOM 0 HA LYS A 116 3.700 8.845 -4.237 1.00 61.24 H new ATOM 0 HB2 LYS A 116 3.901 9.962 -6.489 1.00 61.00 H new ATOM 0 HB3 LYS A 116 3.472 11.492 -5.750 1.00 61.00 H new ATOM 0 HG2 LYS A 116 5.533 11.608 -4.530 1.00 43.05 H new ATOM 0 HG3 LYS A 116 5.903 9.921 -4.829 1.00 43.05 H new ATOM 0 HD2 LYS A 116 5.806 12.101 -6.979 1.00 44.40 H new ATOM 0 HD3 LYS A 116 7.272 11.476 -6.251 1.00 44.40 H new ATOM 0 HE2 LYS A 116 6.748 9.196 -7.147 1.00 54.52 H new ATOM 0 HE3 LYS A 116 5.277 9.816 -7.870 1.00 54.52 H new ATOM 0 HZ1 LYS A 116 6.409 10.544 -9.613 1.00 52.30 H new ATOM 0 HZ2 LYS A 116 7.512 11.399 -8.645 1.00 52.30 H new ATOM 0 HZ3 LYS A 116 7.787 9.762 -9.002 1.00 52.30 H new ATOM 1904 N LYS A 117 2.243 11.544 -3.086 1.00 13.21 N ATOM 1905 CA LYS A 117 1.972 12.360 -1.915 1.00 43.42 C ATOM 1906 C LYS A 117 1.178 11.547 -0.848 1.00 1.23 C ATOM 1907 O LYS A 117 1.313 11.808 0.346 1.00 13.11 O ATOM 1908 CB LYS A 117 1.244 13.629 -2.429 1.00 62.22 C ATOM 1909 CG LYS A 117 0.892 14.716 -1.384 1.00 0.14 C ATOM 1910 CD LYS A 117 -0.509 14.537 -0.744 1.00 51.42 C ATOM 1911 CE LYS A 117 -1.624 14.484 -1.804 1.00 42.50 C ATOM 1912 NZ LYS A 117 -2.974 14.358 -1.207 1.00 2.35 N ATOM 0 H LYS A 117 1.659 11.788 -3.886 1.00 13.21 H new ATOM 0 HA LYS A 117 2.881 12.664 -1.395 1.00 43.42 H new ATOM 0 HB2 LYS A 117 1.867 14.088 -3.197 1.00 62.22 H new ATOM 0 HB3 LYS A 117 0.320 13.315 -2.914 1.00 62.22 H new ATOM 0 HG2 LYS A 117 1.645 14.707 -0.596 1.00 0.14 H new ATOM 0 HG3 LYS A 117 0.941 15.695 -1.861 1.00 0.14 H new ATOM 0 HD2 LYS A 117 -0.524 13.620 -0.155 1.00 51.42 H new ATOM 0 HD3 LYS A 117 -0.701 15.360 -0.056 1.00 51.42 H new ATOM 0 HE2 LYS A 117 -1.583 15.387 -2.414 1.00 42.50 H new ATOM 0 HE3 LYS A 117 -1.446 13.641 -2.471 1.00 42.50 H new ATOM 0 HZ1 LYS A 117 -3.640 14.009 -1.925 1.00 2.35 H new ATOM 0 HZ2 LYS A 117 -2.941 13.689 -0.411 1.00 2.35 H new ATOM 0 HZ3 LYS A 117 -3.290 15.288 -0.865 1.00 2.35 H new ATOM 1926 N LYS A 118 0.361 10.563 -1.297 1.00 61.43 N ATOM 1927 CA LYS A 118 -0.432 9.689 -0.395 1.00 41.53 C ATOM 1928 C LYS A 118 0.481 8.713 0.367 1.00 50.33 C ATOM 1929 O LYS A 118 0.213 8.394 1.534 1.00 64.30 O ATOM 1930 CB LYS A 118 -1.517 8.887 -1.181 1.00 24.12 C ATOM 1931 CG LYS A 118 -2.713 9.717 -1.701 1.00 32.54 C ATOM 1932 CD LYS A 118 -3.435 10.460 -0.566 1.00 61.34 C ATOM 1933 CE LYS A 118 -4.632 11.290 -1.034 1.00 3.43 C ATOM 1934 NZ LYS A 118 -5.253 11.995 0.119 1.00 31.33 N ATOM 0 H LYS A 118 0.233 10.353 -2.287 1.00 61.43 H new ATOM 0 HA LYS A 118 -0.935 10.340 0.320 1.00 41.53 H new ATOM 0 HB2 LYS A 118 -1.039 8.400 -2.031 1.00 24.12 H new ATOM 0 HB3 LYS A 118 -1.899 8.097 -0.534 1.00 24.12 H new ATOM 0 HG2 LYS A 118 -2.361 10.437 -2.439 1.00 32.54 H new ATOM 0 HG3 LYS A 118 -3.418 9.059 -2.209 1.00 32.54 H new ATOM 0 HD2 LYS A 118 -3.775 9.734 0.172 1.00 61.34 H new ATOM 0 HD3 LYS A 118 -2.724 11.116 -0.064 1.00 61.34 H new ATOM 0 HE2 LYS A 118 -4.311 12.015 -1.782 1.00 3.43 H new ATOM 0 HE3 LYS A 118 -5.367 10.643 -1.512 1.00 3.43 H new ATOM 0 HZ1 LYS A 118 -5.914 12.717 -0.231 1.00 31.33 H new ATOM 0 HZ2 LYS A 118 -5.768 11.310 0.708 1.00 31.33 H new ATOM 0 HZ3 LYS A 118 -4.511 12.451 0.687 1.00 31.33 H new ATOM 1948 N LEU A 119 1.534 8.213 -0.324 1.00 61.14 N ATOM 1949 CA LEU A 119 2.595 7.402 0.308 1.00 61.50 C ATOM 1950 C LEU A 119 3.284 8.210 1.408 1.00 51.31 C ATOM 1951 O LEU A 119 3.572 7.679 2.467 1.00 23.14 O ATOM 1952 CB LEU A 119 3.646 6.885 -0.725 1.00 64.14 C ATOM 1953 CG LEU A 119 3.343 5.500 -1.388 1.00 40.25 C ATOM 1954 CD1 LEU A 119 2.128 5.542 -2.327 1.00 1.22 C ATOM 1955 CD2 LEU A 119 4.580 4.971 -2.116 1.00 72.21 C ATOM 0 H LEU A 119 1.668 8.360 -1.324 1.00 61.14 H new ATOM 0 HA LEU A 119 2.118 6.524 0.743 1.00 61.50 H new ATOM 0 HB2 LEU A 119 3.743 7.629 -1.516 1.00 64.14 H new ATOM 0 HB3 LEU A 119 4.613 6.821 -0.226 1.00 64.14 H new ATOM 0 HG LEU A 119 3.086 4.812 -0.582 1.00 40.25 H new ATOM 0 HD11 LEU A 119 1.966 4.554 -2.757 1.00 1.22 H new ATOM 0 HD12 LEU A 119 1.244 5.842 -1.765 1.00 1.22 H new ATOM 0 HD13 LEU A 119 2.311 6.260 -3.126 1.00 1.22 H new ATOM 0 HD21 LEU A 119 4.350 4.007 -2.571 1.00 72.21 H new ATOM 0 HD22 LEU A 119 4.875 5.677 -2.892 1.00 72.21 H new ATOM 0 HD23 LEU A 119 5.397 4.851 -1.405 1.00 72.21 H new ATOM 1967 N LYS A 120 3.521 9.507 1.131 1.00 22.40 N ATOM 1968 CA LYS A 120 4.076 10.440 2.121 1.00 31.34 C ATOM 1969 C LYS A 120 3.107 10.645 3.301 1.00 21.20 C ATOM 1970 O LYS A 120 3.545 10.744 4.434 1.00 3.22 O ATOM 1971 CB LYS A 120 4.434 11.794 1.464 1.00 24.52 C ATOM 1972 CG LYS A 120 5.642 11.730 0.513 1.00 62.05 C ATOM 1973 CD LYS A 120 6.093 13.133 0.047 1.00 62.51 C ATOM 1974 CE LYS A 120 7.375 13.091 -0.796 1.00 24.32 C ATOM 1975 NZ LYS A 120 8.533 12.516 -0.049 1.00 2.24 N ATOM 0 H LYS A 120 3.334 9.931 0.222 1.00 22.40 H new ATOM 0 HA LYS A 120 4.992 9.999 2.514 1.00 31.34 H new ATOM 0 HB2 LYS A 120 3.568 12.157 0.911 1.00 24.52 H new ATOM 0 HB3 LYS A 120 4.640 12.523 2.248 1.00 24.52 H new ATOM 0 HG2 LYS A 120 6.471 11.232 1.015 1.00 62.05 H new ATOM 0 HG3 LYS A 120 5.386 11.125 -0.357 1.00 62.05 H new ATOM 0 HD2 LYS A 120 5.294 13.592 -0.535 1.00 62.51 H new ATOM 0 HD3 LYS A 120 6.256 13.766 0.919 1.00 62.51 H new ATOM 0 HE2 LYS A 120 7.196 12.499 -1.694 1.00 24.32 H new ATOM 0 HE3 LYS A 120 7.624 14.100 -1.124 1.00 24.32 H new ATOM 0 HZ1 LYS A 120 9.253 13.253 0.096 1.00 2.24 H new ATOM 0 HZ2 LYS A 120 8.209 12.162 0.874 1.00 2.24 H new ATOM 0 HZ3 LYS A 120 8.944 11.733 -0.596 1.00 2.24 H new ATOM 1989 N GLU A 121 1.787 10.678 3.024 1.00 25.43 N ATOM 1990 CA GLU A 121 0.750 10.784 4.079 1.00 52.15 C ATOM 1991 C GLU A 121 0.761 9.558 5.011 1.00 64.42 C ATOM 1992 O GLU A 121 0.470 9.679 6.201 1.00 41.50 O ATOM 1993 CB GLU A 121 -0.663 10.991 3.480 1.00 4.43 C ATOM 1994 CG GLU A 121 -0.891 12.376 2.832 1.00 42.32 C ATOM 1995 CD GLU A 121 -2.364 12.629 2.472 1.00 40.34 C ATOM 1996 OE1 GLU A 121 -3.235 12.414 3.340 1.00 25.54 O ATOM 1997 OE2 GLU A 121 -2.671 13.032 1.327 1.00 34.45 O ATOM 0 H GLU A 121 1.410 10.633 2.077 1.00 25.43 H new ATOM 0 HA GLU A 121 0.997 11.665 4.671 1.00 52.15 H new ATOM 0 HB2 GLU A 121 -0.842 10.220 2.731 1.00 4.43 H new ATOM 0 HB3 GLU A 121 -1.402 10.847 4.268 1.00 4.43 H new ATOM 0 HG2 GLU A 121 -0.550 13.153 3.516 1.00 42.32 H new ATOM 0 HG3 GLU A 121 -0.283 12.455 1.931 1.00 42.32 H new ATOM 2004 N ALA A 122 1.098 8.392 4.452 1.00 53.25 N ATOM 2005 CA ALA A 122 1.219 7.143 5.212 1.00 2.24 C ATOM 2006 C ALA A 122 2.524 7.125 6.031 1.00 10.35 C ATOM 2007 O ALA A 122 2.500 6.921 7.251 1.00 13.25 O ATOM 2008 CB ALA A 122 1.171 5.957 4.245 1.00 42.22 C ATOM 0 H ALA A 122 1.295 8.287 3.457 1.00 53.25 H new ATOM 0 HA ALA A 122 0.388 7.069 5.913 1.00 2.24 H new ATOM 0 HB1 ALA A 122 1.261 5.027 4.806 1.00 42.22 H new ATOM 0 HB2 ALA A 122 0.224 5.966 3.705 1.00 42.22 H new ATOM 0 HB3 ALA A 122 1.994 6.033 3.535 1.00 42.22 H new ATOM 2014 N LEU A 123 3.646 7.398 5.333 1.00 23.10 N ATOM 2015 CA LEU A 123 5.011 7.249 5.867 1.00 24.15 C ATOM 2016 C LEU A 123 5.317 8.283 6.967 1.00 44.21 C ATOM 2017 O LEU A 123 5.860 7.925 8.020 1.00 5.03 O ATOM 2018 CB LEU A 123 6.047 7.322 4.699 1.00 21.04 C ATOM 2019 CG LEU A 123 6.031 6.117 3.691 1.00 74.45 C ATOM 2020 CD1 LEU A 123 7.042 6.322 2.532 1.00 0.50 C ATOM 2021 CD2 LEU A 123 6.271 4.780 4.425 1.00 12.11 C ATOM 0 H LEU A 123 3.626 7.733 4.370 1.00 23.10 H new ATOM 0 HA LEU A 123 5.089 6.270 6.340 1.00 24.15 H new ATOM 0 HB2 LEU A 123 5.871 8.241 4.140 1.00 21.04 H new ATOM 0 HB3 LEU A 123 7.046 7.397 5.129 1.00 21.04 H new ATOM 0 HG LEU A 123 5.039 6.077 3.242 1.00 74.45 H new ATOM 0 HD11 LEU A 123 7.000 5.467 1.857 1.00 0.50 H new ATOM 0 HD12 LEU A 123 6.788 7.230 1.984 1.00 0.50 H new ATOM 0 HD13 LEU A 123 8.049 6.414 2.939 1.00 0.50 H new ATOM 0 HD21 LEU A 123 6.255 3.962 3.705 1.00 12.11 H new ATOM 0 HD22 LEU A 123 7.240 4.807 4.922 1.00 12.11 H new ATOM 0 HD23 LEU A 123 5.487 4.626 5.166 1.00 12.11 H new ATOM 2033 N GLU A 124 4.945 9.548 6.721 1.00 31.12 N ATOM 2034 CA GLU A 124 5.164 10.665 7.670 1.00 42.15 C ATOM 2035 C GLU A 124 4.501 10.410 9.042 1.00 61.12 C ATOM 2036 O GLU A 124 5.103 10.665 10.094 1.00 12.34 O ATOM 2037 CB GLU A 124 4.660 11.995 7.052 1.00 74.42 C ATOM 2038 CG GLU A 124 5.622 12.612 6.008 1.00 71.13 C ATOM 2039 CD GLU A 124 5.039 13.834 5.278 1.00 30.20 C ATOM 2040 OE1 GLU A 124 4.588 14.788 5.958 1.00 54.51 O ATOM 2041 OE2 GLU A 124 5.028 13.855 4.031 1.00 20.51 O ATOM 0 H GLU A 124 4.482 9.832 5.858 1.00 31.12 H new ATOM 0 HA GLU A 124 6.237 10.738 7.849 1.00 42.15 H new ATOM 0 HB2 GLU A 124 3.693 11.820 6.580 1.00 74.42 H new ATOM 0 HB3 GLU A 124 4.499 12.717 7.853 1.00 74.42 H new ATOM 0 HG2 GLU A 124 6.546 12.904 6.506 1.00 71.13 H new ATOM 0 HG3 GLU A 124 5.883 11.851 5.273 1.00 71.13 H new ATOM 2048 N LYS A 125 3.266 9.885 9.006 1.00 45.04 N ATOM 2049 CA LYS A 125 2.471 9.604 10.215 1.00 61.01 C ATOM 2050 C LYS A 125 2.897 8.276 10.888 1.00 44.45 C ATOM 2051 O LYS A 125 2.554 8.039 12.052 1.00 52.23 O ATOM 2052 CB LYS A 125 0.964 9.573 9.846 1.00 71.03 C ATOM 2053 CG LYS A 125 0.434 10.900 9.247 1.00 64.35 C ATOM 2054 CD LYS A 125 -1.051 10.814 8.813 1.00 75.22 C ATOM 2055 CE LYS A 125 -1.528 12.075 8.065 1.00 22.23 C ATOM 2056 NZ LYS A 125 -0.696 12.360 6.860 1.00 51.02 N ATOM 0 H LYS A 125 2.789 9.643 8.138 1.00 45.04 H new ATOM 0 HA LYS A 125 2.653 10.400 10.937 1.00 61.01 H new ATOM 0 HB2 LYS A 125 0.792 8.769 9.130 1.00 71.03 H new ATOM 0 HB3 LYS A 125 0.387 9.333 10.739 1.00 71.03 H new ATOM 0 HG2 LYS A 125 0.547 11.696 9.983 1.00 64.35 H new ATOM 0 HG3 LYS A 125 1.044 11.173 8.386 1.00 64.35 H new ATOM 0 HD2 LYS A 125 -1.188 9.943 8.172 1.00 75.22 H new ATOM 0 HD3 LYS A 125 -1.674 10.662 9.694 1.00 75.22 H new ATOM 0 HE2 LYS A 125 -2.568 11.947 7.765 1.00 22.23 H new ATOM 0 HE3 LYS A 125 -1.494 12.931 8.739 1.00 22.23 H new ATOM 0 HZ1 LYS A 125 -1.300 12.741 6.104 1.00 51.02 H new ATOM 0 HZ2 LYS A 125 0.038 13.056 7.102 1.00 51.02 H new ATOM 0 HZ3 LYS A 125 -0.245 11.481 6.534 1.00 51.02 H new ATOM 2070 N SER A 126 3.647 7.418 10.156 1.00 53.24 N ATOM 2071 CA SER A 126 4.012 6.059 10.620 1.00 13.32 C ATOM 2072 C SER A 126 5.408 5.995 11.265 1.00 43.11 C ATOM 2073 O SER A 126 5.704 5.031 11.986 1.00 60.12 O ATOM 2074 CB SER A 126 3.923 5.060 9.453 1.00 73.12 C ATOM 2075 OG SER A 126 4.864 5.331 8.437 1.00 40.02 O ATOM 0 H SER A 126 4.014 7.647 9.232 1.00 53.24 H new ATOM 0 HA SER A 126 3.295 5.790 11.396 1.00 13.32 H new ATOM 0 HB2 SER A 126 4.082 4.050 9.831 1.00 73.12 H new ATOM 0 HB3 SER A 126 2.919 5.088 9.031 1.00 73.12 H new ATOM 0 HG SER A 126 5.197 6.248 8.535 1.00 40.02 H new ATOM 2081 N GLY A 127 6.269 6.995 10.989 1.00 63.24 N ATOM 2082 CA GLY A 127 7.619 7.050 11.583 1.00 24.55 C ATOM 2083 C GLY A 127 8.702 7.536 10.622 1.00 4.23 C ATOM 2084 O GLY A 127 9.809 7.861 11.054 1.00 25.33 O ATOM 0 H GLY A 127 6.055 7.771 10.362 1.00 63.24 H new ATOM 0 HA2 GLY A 127 7.596 7.709 12.451 1.00 24.55 H new ATOM 0 HA3 GLY A 127 7.887 6.057 11.943 1.00 24.55 H new ATOM 2088 N SER A 128 8.393 7.555 9.322 1.00 24.31 N ATOM 2089 CA SER A 128 9.319 8.013 8.272 1.00 44.22 C ATOM 2090 C SER A 128 9.012 9.488 7.926 1.00 73.43 C ATOM 2091 O SER A 128 8.068 9.753 7.191 1.00 72.41 O ATOM 2092 CB SER A 128 9.147 7.097 7.043 1.00 61.24 C ATOM 2093 OG SER A 128 9.359 5.745 7.399 1.00 54.33 O ATOM 0 H SER A 128 7.488 7.252 8.962 1.00 24.31 H new ATOM 0 HA SER A 128 10.353 7.959 8.611 1.00 44.22 H new ATOM 0 HB2 SER A 128 8.146 7.218 6.630 1.00 61.24 H new ATOM 0 HB3 SER A 128 9.851 7.389 6.263 1.00 61.24 H new ATOM 0 HG SER A 128 10.308 5.604 7.597 1.00 54.33 H new