USER MOD reduce.3.24.130724 H: found=0, std=0, add=634, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 634 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 Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 172:sc= 1.26 (180deg=0.891) USER MOD Single : A 5 LYS NZ :NH3+ -134:sc= -0.538 (180deg=-2.79!) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 GLN : amide:sc= 0.0419 X(o=0.042,f=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot 23:sc= -0.523 USER MOD Single : A 34 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 38 LYS NZ :NH3+ -148:sc= 0.456 (180deg=-0.00518) USER MOD Single : A 42 GLN : amide:sc= 0.31 X(o=0.31,f=0) USER MOD Single : A 43 THR OG1 : rot -101:sc= 1.09 USER MOD Single : A 45 LYS NZ :NH3+ -147:sc= 0.913 (180deg=0.0157) USER MOD Single : A 49 LYS NZ :NH3+ 173:sc= 0.339 (180deg=0.314) USER MOD Single : A 50 MET CE :methyl -143:sc= -0.41 (180deg=-0.66) USER MOD Single : A 52 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0104) USER MOD Single : A 55 LYS NZ :NH3+ -127:sc= 0.94 (180deg=-0.15) USER MOD Single : A 56 LYS NZ :NH3+ 146:sc= 0.372 (180deg=-1.14!) USER MOD Single : A 58 LYS NZ :NH3+ 177:sc= 0.23 (180deg=0.153) USER MOD Single : A 60 ASN :FLIP amide:sc=-0.00579 F(o=-0.73,f=-0.0058) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ -144:sc= -0.104 (180deg=-1.04!) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 72 HIS : no HD1:sc= -0.156 X(o=-0.16,f=-0.042) USER MOD Single : A 73 HIS : no HD1:sc= 0 X(o=0,f=-0.0036) USER MOD Single : A 74 HIS : no HD1:sc= -0.0722 X(o=-0.072,f=-0.29) USER MOD Single : A 75 HIS : no HD1:sc= 0 X(o=0,f=-0.0021) USER MOD Single : A 76 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 77 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -0.221 14.106 -4.159 1.00 60.11 N ATOM 2 CA MET A 1 -0.338 12.644 -4.038 1.00 73.31 C ATOM 3 C MET A 1 0.807 11.969 -4.797 1.00 14.00 C ATOM 4 O MET A 1 1.084 12.325 -5.947 1.00 43.22 O ATOM 5 CB MET A 1 -1.718 12.146 -4.550 1.00 33.21 C ATOM 6 CG MET A 1 -2.899 12.487 -3.628 1.00 13.34 C ATOM 7 SD MET A 1 -3.079 14.262 -3.349 1.00 4.23 S ATOM 8 CE MET A 1 -4.492 14.310 -2.249 1.00 41.21 C ATOM 0 H1 MET A 1 -1.069 14.556 -3.760 1.00 60.11 H new ATOM 0 H2 MET A 1 0.620 14.431 -3.640 1.00 60.11 H new ATOM 0 H3 MET A 1 -0.131 14.365 -5.162 1.00 60.11 H new ATOM 0 HA MET A 1 -0.268 12.375 -2.984 1.00 73.31 H new ATOM 0 HB2 MET A 1 -1.904 12.578 -5.533 1.00 33.21 H new ATOM 0 HB3 MET A 1 -1.675 11.065 -4.680 1.00 33.21 H new ATOM 0 HG2 MET A 1 -3.819 12.097 -4.064 1.00 13.34 H new ATOM 0 HG3 MET A 1 -2.763 11.985 -2.670 1.00 13.34 H new ATOM 0 HE1 MET A 1 -4.718 15.345 -1.992 1.00 41.21 H new ATOM 0 HE2 MET A 1 -5.354 13.862 -2.744 1.00 41.21 H new ATOM 0 HE3 MET A 1 -4.265 13.752 -1.341 1.00 41.21 H new ATOM 20 N VAL A 2 1.486 11.023 -4.126 1.00 45.13 N ATOM 21 CA VAL A 2 2.559 10.209 -4.718 1.00 12.23 C ATOM 22 C VAL A 2 1.968 8.860 -5.168 1.00 11.00 C ATOM 23 O VAL A 2 1.274 8.198 -4.391 1.00 51.03 O ATOM 24 CB VAL A 2 3.742 9.986 -3.694 1.00 45.32 C ATOM 25 CG1 VAL A 2 4.867 9.089 -4.274 1.00 3.42 C ATOM 26 CG2 VAL A 2 4.313 11.345 -3.226 1.00 42.33 C ATOM 0 H VAL A 2 1.303 10.800 -3.148 1.00 45.13 H new ATOM 0 HA VAL A 2 2.973 10.735 -5.578 1.00 12.23 H new ATOM 0 HB VAL A 2 3.329 9.458 -2.834 1.00 45.32 H new ATOM 0 HG11 VAL A 2 5.655 8.967 -3.531 1.00 3.42 H new ATOM 0 HG12 VAL A 2 4.457 8.112 -4.531 1.00 3.42 H new ATOM 0 HG13 VAL A 2 5.280 9.556 -5.168 1.00 3.42 H new ATOM 0 HG21 VAL A 2 5.127 11.174 -2.521 1.00 42.33 H new ATOM 0 HG22 VAL A 2 4.689 11.898 -4.087 1.00 42.33 H new ATOM 0 HG23 VAL A 2 3.527 11.922 -2.739 1.00 42.33 H new ATOM 36 N ASP A 3 2.265 8.457 -6.412 1.00 15.04 N ATOM 37 CA ASP A 3 1.748 7.209 -6.997 1.00 14.04 C ATOM 38 C ASP A 3 2.554 6.021 -6.447 1.00 12.23 C ATOM 39 O ASP A 3 3.723 5.830 -6.802 1.00 61.41 O ATOM 40 CB ASP A 3 1.814 7.252 -8.550 1.00 31.40 C ATOM 41 CG ASP A 3 0.765 8.190 -9.179 1.00 33.01 C ATOM 42 OD1 ASP A 3 -0.405 7.782 -9.325 1.00 64.02 O ATOM 43 OD2 ASP A 3 1.098 9.338 -9.521 1.00 4.25 O ATOM 0 H ASP A 3 2.869 8.986 -7.041 1.00 15.04 H new ATOM 0 HA ASP A 3 0.701 7.092 -6.719 1.00 14.04 H new ATOM 0 HB2 ASP A 3 2.809 7.574 -8.856 1.00 31.40 H new ATOM 0 HB3 ASP A 3 1.671 6.245 -8.941 1.00 31.40 H new ATOM 48 N LEU A 4 1.940 5.278 -5.520 1.00 21.30 N ATOM 49 CA LEU A 4 2.492 4.030 -4.989 1.00 41.31 C ATOM 50 C LEU A 4 1.773 2.847 -5.660 1.00 34.24 C ATOM 51 O LEU A 4 0.570 2.662 -5.468 1.00 71.13 O ATOM 52 CB LEU A 4 2.319 3.974 -3.441 1.00 13.30 C ATOM 53 CG LEU A 4 2.987 5.124 -2.620 1.00 43.41 C ATOM 54 CD1 LEU A 4 2.831 4.895 -1.102 1.00 23.33 C ATOM 55 CD2 LEU A 4 4.465 5.299 -2.998 1.00 60.53 C ATOM 0 H LEU A 4 1.038 5.529 -5.115 1.00 21.30 H new ATOM 0 HA LEU A 4 3.559 3.977 -5.206 1.00 41.31 H new ATOM 0 HB2 LEU A 4 1.252 3.971 -3.217 1.00 13.30 H new ATOM 0 HB3 LEU A 4 2.721 3.025 -3.087 1.00 13.30 H new ATOM 0 HG LEU A 4 2.467 6.047 -2.874 1.00 43.41 H new ATOM 0 HD11 LEU A 4 3.306 5.712 -0.560 1.00 23.33 H new ATOM 0 HD12 LEU A 4 1.772 4.858 -0.847 1.00 23.33 H new ATOM 0 HD13 LEU A 4 3.304 3.953 -0.826 1.00 23.33 H new ATOM 0 HD21 LEU A 4 4.898 6.107 -2.408 1.00 60.53 H new ATOM 0 HD22 LEU A 4 5.004 4.373 -2.797 1.00 60.53 H new ATOM 0 HD23 LEU A 4 4.543 5.541 -4.058 1.00 60.53 H new ATOM 67 N LYS A 5 2.510 2.092 -6.488 1.00 44.50 N ATOM 68 CA LYS A 5 2.035 0.828 -7.079 1.00 14.43 C ATOM 69 C LYS A 5 2.867 -0.308 -6.489 1.00 73.24 C ATOM 70 O LYS A 5 4.075 -0.404 -6.736 1.00 10.43 O ATOM 71 CB LYS A 5 2.116 0.846 -8.632 1.00 30.32 C ATOM 72 CG LYS A 5 1.190 1.887 -9.299 1.00 41.43 C ATOM 73 CD LYS A 5 1.080 1.753 -10.842 1.00 64.34 C ATOM 74 CE LYS A 5 0.296 0.503 -11.304 1.00 31.41 C ATOM 75 NZ LYS A 5 1.093 -0.754 -11.253 1.00 64.31 N ATOM 0 H LYS A 5 3.458 2.341 -6.769 1.00 44.50 H new ATOM 0 HA LYS A 5 0.982 0.685 -6.837 1.00 14.43 H new ATOM 0 HB2 LYS A 5 3.145 1.047 -8.929 1.00 30.32 H new ATOM 0 HB3 LYS A 5 1.863 -0.145 -9.010 1.00 30.32 H new ATOM 0 HG2 LYS A 5 0.193 1.798 -8.867 1.00 41.43 H new ATOM 0 HG3 LYS A 5 1.554 2.886 -9.058 1.00 41.43 H new ATOM 0 HD2 LYS A 5 0.594 2.643 -11.241 1.00 64.34 H new ATOM 0 HD3 LYS A 5 2.083 1.719 -11.267 1.00 64.34 H new ATOM 0 HE2 LYS A 5 -0.589 0.388 -10.678 1.00 31.41 H new ATOM 0 HE3 LYS A 5 -0.054 0.660 -12.324 1.00 31.41 H new ATOM 0 HZ1 LYS A 5 0.958 -1.287 -12.136 1.00 64.31 H new ATOM 0 HZ2 LYS A 5 2.100 -0.522 -11.139 1.00 64.31 H new ATOM 0 HZ3 LYS A 5 0.778 -1.332 -10.448 1.00 64.31 H new ATOM 89 N ILE A 6 2.219 -1.156 -5.680 1.00 75.31 N ATOM 90 CA ILE A 6 2.879 -2.239 -4.938 1.00 74.42 C ATOM 91 C ILE A 6 2.566 -3.605 -5.594 1.00 25.34 C ATOM 92 O ILE A 6 1.427 -3.875 -5.964 1.00 33.50 O ATOM 93 CB ILE A 6 2.438 -2.277 -3.413 1.00 31.01 C ATOM 94 CG1 ILE A 6 2.793 -0.950 -2.642 1.00 13.11 C ATOM 95 CG2 ILE A 6 3.063 -3.489 -2.683 1.00 71.23 C ATOM 96 CD1 ILE A 6 1.885 0.242 -2.900 1.00 24.13 C ATOM 0 H ILE A 6 1.213 -1.110 -5.520 1.00 75.31 H new ATOM 0 HA ILE A 6 3.951 -2.043 -4.974 1.00 74.42 H new ATOM 0 HB ILE A 6 1.353 -2.376 -3.414 1.00 31.01 H new ATOM 0 HG12 ILE A 6 2.783 -1.162 -1.573 1.00 13.11 H new ATOM 0 HG13 ILE A 6 3.813 -0.666 -2.901 1.00 13.11 H new ATOM 0 HG21 ILE A 6 2.744 -3.490 -1.641 1.00 71.23 H new ATOM 0 HG22 ILE A 6 2.736 -4.411 -3.163 1.00 71.23 H new ATOM 0 HG23 ILE A 6 4.150 -3.421 -2.730 1.00 71.23 H new ATOM 0 HD11 ILE A 6 2.229 1.095 -2.315 1.00 24.13 H new ATOM 0 HD12 ILE A 6 1.910 0.496 -3.960 1.00 24.13 H new ATOM 0 HD13 ILE A 6 0.864 -0.009 -2.611 1.00 24.13 H new ATOM 108 N ASP A 7 3.603 -4.433 -5.734 1.00 60.31 N ATOM 109 CA ASP A 7 3.487 -5.875 -6.027 1.00 30.13 C ATOM 110 C ASP A 7 2.614 -6.594 -4.974 1.00 73.22 C ATOM 111 O ASP A 7 2.883 -6.467 -3.779 1.00 52.40 O ATOM 112 CB ASP A 7 4.933 -6.470 -6.031 1.00 62.25 C ATOM 113 CG ASP A 7 5.018 -8.009 -5.896 1.00 50.54 C ATOM 114 OD1 ASP A 7 5.101 -8.520 -4.747 1.00 12.31 O ATOM 115 OD2 ASP A 7 5.015 -8.711 -6.927 1.00 72.33 O ATOM 0 H ASP A 7 4.570 -4.120 -5.646 1.00 60.31 H new ATOM 0 HA ASP A 7 3.004 -6.019 -6.993 1.00 30.13 H new ATOM 0 HB2 ASP A 7 5.426 -6.176 -6.958 1.00 62.25 H new ATOM 0 HB3 ASP A 7 5.495 -6.019 -5.213 1.00 62.25 H new ATOM 120 N VAL A 8 1.591 -7.350 -5.421 1.00 21.30 N ATOM 121 CA VAL A 8 0.817 -8.274 -4.540 1.00 42.11 C ATOM 122 C VAL A 8 0.566 -9.611 -5.248 1.00 21.44 C ATOM 123 O VAL A 8 0.299 -9.653 -6.453 1.00 42.14 O ATOM 124 CB VAL A 8 -0.553 -7.686 -4.015 1.00 32.22 C ATOM 125 CG1 VAL A 8 -0.335 -6.661 -2.885 1.00 24.32 C ATOM 126 CG2 VAL A 8 -1.394 -7.093 -5.164 1.00 1.43 C ATOM 0 H VAL A 8 1.274 -7.345 -6.390 1.00 21.30 H new ATOM 0 HA VAL A 8 1.443 -8.420 -3.660 1.00 42.11 H new ATOM 0 HB VAL A 8 -1.120 -8.516 -3.594 1.00 32.22 H new ATOM 0 HG11 VAL A 8 -1.299 -6.279 -2.550 1.00 24.32 H new ATOM 0 HG12 VAL A 8 0.175 -7.142 -2.050 1.00 24.32 H new ATOM 0 HG13 VAL A 8 0.274 -5.836 -3.255 1.00 24.32 H new ATOM 0 HG21 VAL A 8 -2.328 -6.698 -4.765 1.00 1.43 H new ATOM 0 HG22 VAL A 8 -0.837 -6.289 -5.645 1.00 1.43 H new ATOM 0 HG23 VAL A 8 -1.612 -7.872 -5.895 1.00 1.43 H new ATOM 136 N SER A 9 0.693 -10.695 -4.470 1.00 72.20 N ATOM 137 CA SER A 9 0.490 -12.075 -4.939 1.00 52.15 C ATOM 138 C SER A 9 -0.948 -12.539 -4.651 1.00 74.00 C ATOM 139 O SER A 9 -1.598 -13.178 -5.488 1.00 40.10 O ATOM 140 CB SER A 9 1.508 -12.994 -4.233 1.00 54.44 C ATOM 141 OG SER A 9 2.834 -12.512 -4.390 1.00 71.25 O ATOM 0 H SER A 9 0.943 -10.638 -3.483 1.00 72.20 H new ATOM 0 HA SER A 9 0.643 -12.120 -6.017 1.00 52.15 H new ATOM 0 HB2 SER A 9 1.266 -13.061 -3.172 1.00 54.44 H new ATOM 0 HB3 SER A 9 1.435 -14.002 -4.641 1.00 54.44 H new ATOM 0 HG SER A 9 3.457 -13.113 -3.931 1.00 71.25 H new ATOM 147 N ASP A 10 -1.443 -12.189 -3.457 1.00 40.11 N ATOM 148 CA ASP A 10 -2.728 -12.689 -2.928 1.00 2.11 C ATOM 149 C ASP A 10 -3.724 -11.529 -2.716 1.00 11.22 C ATOM 150 O ASP A 10 -3.316 -10.382 -2.509 1.00 32.23 O ATOM 151 CB ASP A 10 -2.469 -13.487 -1.614 1.00 23.30 C ATOM 152 CG ASP A 10 -3.747 -14.023 -0.945 1.00 25.23 C ATOM 153 OD1 ASP A 10 -4.432 -14.866 -1.555 1.00 62.23 O ATOM 154 OD2 ASP A 10 -4.103 -13.565 0.155 1.00 74.11 O ATOM 0 H ASP A 10 -0.964 -11.548 -2.824 1.00 40.11 H new ATOM 0 HA ASP A 10 -3.184 -13.363 -3.653 1.00 2.11 H new ATOM 0 HB2 ASP A 10 -1.808 -14.325 -1.834 1.00 23.30 H new ATOM 0 HB3 ASP A 10 -1.944 -12.844 -0.908 1.00 23.30 H new ATOM 159 N ASP A 11 -5.034 -11.870 -2.730 1.00 54.33 N ATOM 160 CA ASP A 11 -6.147 -10.895 -2.691 1.00 43.11 C ATOM 161 C ASP A 11 -6.406 -10.427 -1.253 1.00 73.42 C ATOM 162 O ASP A 11 -6.629 -9.241 -1.011 1.00 44.23 O ATOM 163 CB ASP A 11 -7.451 -11.525 -3.262 1.00 13.21 C ATOM 164 CG ASP A 11 -7.320 -12.005 -4.717 1.00 43.13 C ATOM 165 OD1 ASP A 11 -7.580 -11.206 -5.649 1.00 52.15 O ATOM 166 OD2 ASP A 11 -6.946 -13.177 -4.938 1.00 15.52 O ATOM 0 H ASP A 11 -5.350 -12.839 -2.769 1.00 54.33 H new ATOM 0 HA ASP A 11 -5.860 -10.041 -3.304 1.00 43.11 H new ATOM 0 HB2 ASP A 11 -7.741 -12.368 -2.635 1.00 13.21 H new ATOM 0 HB3 ASP A 11 -8.255 -10.791 -3.202 1.00 13.21 H new ATOM 171 N GLU A 12 -6.380 -11.390 -0.312 1.00 73.45 N ATOM 172 CA GLU A 12 -6.605 -11.126 1.123 1.00 44.34 C ATOM 173 C GLU A 12 -5.423 -10.328 1.703 1.00 42.14 C ATOM 174 O GLU A 12 -5.611 -9.378 2.458 1.00 31.31 O ATOM 175 CB GLU A 12 -6.795 -12.466 1.890 1.00 35.42 C ATOM 176 CG GLU A 12 -7.118 -12.310 3.391 1.00 42.45 C ATOM 177 CD GLU A 12 -8.402 -11.498 3.648 1.00 11.11 C ATOM 178 OE1 GLU A 12 -9.511 -12.066 3.504 1.00 71.11 O ATOM 179 OE2 GLU A 12 -8.310 -10.292 3.982 1.00 32.34 O ATOM 0 H GLU A 12 -6.203 -12.372 -0.524 1.00 73.45 H new ATOM 0 HA GLU A 12 -7.512 -10.533 1.239 1.00 44.34 H new ATOM 0 HB2 GLU A 12 -7.599 -13.029 1.416 1.00 35.42 H new ATOM 0 HB3 GLU A 12 -5.886 -13.059 1.788 1.00 35.42 H new ATOM 0 HG2 GLU A 12 -7.223 -13.298 3.839 1.00 42.45 H new ATOM 0 HG3 GLU A 12 -6.280 -11.822 3.889 1.00 42.45 H new ATOM 186 N GLU A 13 -4.209 -10.763 1.326 1.00 34.33 N ATOM 187 CA GLU A 13 -2.936 -10.058 1.587 1.00 73.41 C ATOM 188 C GLU A 13 -3.002 -8.598 1.110 1.00 23.14 C ATOM 189 O GLU A 13 -2.600 -7.679 1.831 1.00 13.42 O ATOM 190 CB GLU A 13 -1.808 -10.823 0.854 1.00 53.14 C ATOM 191 CG GLU A 13 -0.448 -10.109 0.758 1.00 73.31 C ATOM 192 CD GLU A 13 0.578 -10.917 -0.051 1.00 53.05 C ATOM 193 OE1 GLU A 13 0.486 -10.945 -1.305 1.00 54.33 O ATOM 194 OE2 GLU A 13 1.472 -11.543 0.559 1.00 42.21 O ATOM 0 H GLU A 13 -4.079 -11.638 0.818 1.00 34.33 H new ATOM 0 HA GLU A 13 -2.741 -10.034 2.659 1.00 73.41 H new ATOM 0 HB2 GLU A 13 -1.658 -11.777 1.359 1.00 53.14 H new ATOM 0 HB3 GLU A 13 -2.148 -11.047 -0.157 1.00 53.14 H new ATOM 0 HG2 GLU A 13 -0.585 -9.132 0.295 1.00 73.31 H new ATOM 0 HG3 GLU A 13 -0.060 -9.934 1.762 1.00 73.31 H new ATOM 201 N ALA A 14 -3.524 -8.415 -0.114 1.00 64.21 N ATOM 202 CA ALA A 14 -3.708 -7.095 -0.722 1.00 64.13 C ATOM 203 C ALA A 14 -4.689 -6.228 0.106 1.00 23.54 C ATOM 204 O ALA A 14 -4.472 -5.032 0.270 1.00 12.12 O ATOM 205 CB ALA A 14 -4.188 -7.252 -2.169 1.00 75.14 C ATOM 0 H ALA A 14 -3.830 -9.185 -0.709 1.00 64.21 H new ATOM 0 HA ALA A 14 -2.749 -6.577 -0.728 1.00 64.13 H new ATOM 0 HB1 ALA A 14 -4.323 -6.267 -2.616 1.00 75.14 H new ATOM 0 HB2 ALA A 14 -3.446 -7.811 -2.740 1.00 75.14 H new ATOM 0 HB3 ALA A 14 -5.136 -7.789 -2.182 1.00 75.14 H new ATOM 211 N GLU A 15 -5.778 -6.853 0.599 1.00 3.41 N ATOM 212 CA GLU A 15 -6.776 -6.192 1.478 1.00 33.04 C ATOM 213 C GLU A 15 -6.216 -5.890 2.884 1.00 44.51 C ATOM 214 O GLU A 15 -6.735 -5.012 3.582 1.00 4.25 O ATOM 215 CB GLU A 15 -8.062 -7.055 1.561 1.00 12.42 C ATOM 216 CG GLU A 15 -8.811 -7.179 0.221 1.00 34.14 C ATOM 217 CD GLU A 15 -10.118 -7.976 0.331 1.00 60.50 C ATOM 218 OE1 GLU A 15 -11.109 -7.426 0.861 1.00 10.04 O ATOM 219 OE2 GLU A 15 -10.167 -9.143 -0.112 1.00 0.24 O ATOM 0 H GLU A 15 -5.994 -7.830 0.401 1.00 3.41 H new ATOM 0 HA GLU A 15 -7.022 -5.228 1.032 1.00 33.04 H new ATOM 0 HB2 GLU A 15 -7.798 -8.052 1.913 1.00 12.42 H new ATOM 0 HB3 GLU A 15 -8.732 -6.622 2.303 1.00 12.42 H new ATOM 0 HG2 GLU A 15 -9.032 -6.181 -0.158 1.00 34.14 H new ATOM 0 HG3 GLU A 15 -8.160 -7.660 -0.509 1.00 34.14 H new ATOM 226 N LYS A 16 -5.167 -6.623 3.291 1.00 72.55 N ATOM 227 CA LYS A 16 -4.435 -6.353 4.544 1.00 55.13 C ATOM 228 C LYS A 16 -3.460 -5.171 4.353 1.00 50.03 C ATOM 229 O LYS A 16 -3.102 -4.500 5.323 1.00 3.51 O ATOM 230 CB LYS A 16 -3.691 -7.621 5.037 1.00 4.32 C ATOM 231 CG LYS A 16 -4.619 -8.784 5.451 1.00 23.45 C ATOM 232 CD LYS A 16 -3.832 -10.057 5.837 1.00 2.42 C ATOM 233 CE LYS A 16 -4.758 -11.220 6.213 1.00 22.15 C ATOM 234 NZ LYS A 16 -4.006 -12.463 6.534 1.00 21.35 N ATOM 0 H LYS A 16 -4.802 -7.417 2.765 1.00 72.55 H new ATOM 0 HA LYS A 16 -5.157 -6.077 5.312 1.00 55.13 H new ATOM 0 HB2 LYS A 16 -3.025 -7.967 4.247 1.00 4.32 H new ATOM 0 HB3 LYS A 16 -3.064 -7.352 5.887 1.00 4.32 H new ATOM 0 HG2 LYS A 16 -5.235 -8.471 6.294 1.00 23.45 H new ATOM 0 HG3 LYS A 16 -5.297 -9.014 4.629 1.00 23.45 H new ATOM 0 HD2 LYS A 16 -3.197 -10.356 5.003 1.00 2.42 H new ATOM 0 HD3 LYS A 16 -3.173 -9.834 6.676 1.00 2.42 H new ATOM 0 HE2 LYS A 16 -5.365 -10.934 7.072 1.00 22.15 H new ATOM 0 HE3 LYS A 16 -5.444 -11.416 5.389 1.00 22.15 H new ATOM 0 HZ1 LYS A 16 -4.675 -13.219 6.782 1.00 21.35 H new ATOM 0 HZ2 LYS A 16 -3.446 -12.753 5.707 1.00 21.35 H new ATOM 0 HZ3 LYS A 16 -3.370 -12.286 7.338 1.00 21.35 H new ATOM 248 N ILE A 17 -3.038 -4.929 3.092 1.00 41.01 N ATOM 249 CA ILE A 17 -2.286 -3.710 2.724 1.00 53.23 C ATOM 250 C ILE A 17 -3.231 -2.499 2.818 1.00 71.24 C ATOM 251 O ILE A 17 -2.898 -1.480 3.423 1.00 63.12 O ATOM 252 CB ILE A 17 -1.686 -3.796 1.268 1.00 51.45 C ATOM 253 CG1 ILE A 17 -0.816 -5.079 1.084 1.00 61.20 C ATOM 254 CG2 ILE A 17 -0.891 -2.522 0.898 1.00 51.11 C ATOM 255 CD1 ILE A 17 0.279 -5.272 2.111 1.00 51.54 C ATOM 0 H ILE A 17 -3.206 -5.563 2.311 1.00 41.01 H new ATOM 0 HA ILE A 17 -1.450 -3.606 3.415 1.00 53.23 H new ATOM 0 HB ILE A 17 -2.527 -3.865 0.579 1.00 51.45 H new ATOM 0 HG12 ILE A 17 -1.472 -5.949 1.109 1.00 61.20 H new ATOM 0 HG13 ILE A 17 -0.361 -5.051 0.094 1.00 61.20 H new ATOM 0 HG21 ILE A 17 -0.494 -2.621 -0.112 1.00 51.11 H new ATOM 0 HG22 ILE A 17 -1.550 -1.655 0.945 1.00 51.11 H new ATOM 0 HG23 ILE A 17 -0.067 -2.390 1.600 1.00 51.11 H new ATOM 0 HD11 ILE A 17 0.824 -6.191 1.894 1.00 51.54 H new ATOM 0 HD12 ILE A 17 0.965 -4.426 2.075 1.00 51.54 H new ATOM 0 HD13 ILE A 17 -0.162 -5.339 3.105 1.00 51.54 H new ATOM 267 N ILE A 18 -4.442 -2.667 2.234 1.00 22.13 N ATOM 268 CA ILE A 18 -5.526 -1.663 2.275 1.00 40.44 C ATOM 269 C ILE A 18 -5.901 -1.359 3.750 1.00 53.04 C ATOM 270 O ILE A 18 -6.134 -0.204 4.121 1.00 42.20 O ATOM 271 CB ILE A 18 -6.803 -2.171 1.476 1.00 54.52 C ATOM 272 CG1 ILE A 18 -6.447 -2.508 -0.020 1.00 44.14 C ATOM 273 CG2 ILE A 18 -7.965 -1.154 1.555 1.00 3.13 C ATOM 274 CD1 ILE A 18 -7.600 -3.065 -0.861 1.00 54.32 C ATOM 0 H ILE A 18 -4.693 -3.510 1.718 1.00 22.13 H new ATOM 0 HA ILE A 18 -5.172 -0.750 1.797 1.00 40.44 H new ATOM 0 HB ILE A 18 -7.138 -3.091 1.954 1.00 54.52 H new ATOM 0 HG12 ILE A 18 -6.074 -1.603 -0.500 1.00 44.14 H new ATOM 0 HG13 ILE A 18 -5.632 -3.232 -0.027 1.00 44.14 H new ATOM 0 HG21 ILE A 18 -8.821 -1.535 0.997 1.00 3.13 H new ATOM 0 HG22 ILE A 18 -8.248 -1.005 2.597 1.00 3.13 H new ATOM 0 HG23 ILE A 18 -7.647 -0.204 1.126 1.00 3.13 H new ATOM 0 HD11 ILE A 18 -7.249 -3.263 -1.874 1.00 54.32 H new ATOM 0 HD12 ILE A 18 -7.962 -3.991 -0.414 1.00 54.32 H new ATOM 0 HD13 ILE A 18 -8.411 -2.337 -0.894 1.00 54.32 H new ATOM 286 N ARG A 19 -5.888 -2.424 4.580 1.00 70.12 N ATOM 287 CA ARG A 19 -6.177 -2.352 6.023 1.00 74.23 C ATOM 288 C ARG A 19 -5.130 -1.475 6.735 1.00 45.40 C ATOM 289 O ARG A 19 -5.487 -0.591 7.507 1.00 62.05 O ATOM 290 CB ARG A 19 -6.192 -3.786 6.641 1.00 45.24 C ATOM 291 CG ARG A 19 -6.740 -3.894 8.093 1.00 4.11 C ATOM 292 CD ARG A 19 -8.279 -3.974 8.170 1.00 51.42 C ATOM 293 NE ARG A 19 -8.957 -2.795 7.596 1.00 51.32 N ATOM 294 CZ ARG A 19 -10.102 -2.827 6.885 1.00 33.51 C ATOM 295 NH1 ARG A 19 -10.731 -3.981 6.631 1.00 23.33 N ATOM 296 NH2 ARG A 19 -10.638 -1.697 6.453 1.00 45.34 N ATOM 0 H ARG A 19 -5.673 -3.368 4.260 1.00 70.12 H new ATOM 0 HA ARG A 19 -7.160 -1.901 6.161 1.00 74.23 H new ATOM 0 HB2 ARG A 19 -6.791 -4.431 5.998 1.00 45.24 H new ATOM 0 HB3 ARG A 19 -5.175 -4.177 6.627 1.00 45.24 H new ATOM 0 HG2 ARG A 19 -6.315 -4.778 8.568 1.00 4.11 H new ATOM 0 HG3 ARG A 19 -6.401 -3.031 8.665 1.00 4.11 H new ATOM 0 HD2 ARG A 19 -8.616 -4.868 7.646 1.00 51.42 H new ATOM 0 HD3 ARG A 19 -8.578 -4.084 9.212 1.00 51.42 H new ATOM 0 HE ARG A 19 -8.525 -1.884 7.749 1.00 51.32 H new ATOM 0 HH11 ARG A 19 -10.345 -4.859 6.978 1.00 23.33 H new ATOM 0 HH12 ARG A 19 -11.596 -3.982 6.091 1.00 23.33 H new ATOM 0 HH21 ARG A 19 -10.185 -0.806 6.658 1.00 45.34 H new ATOM 0 HH22 ARG A 19 -11.504 -1.716 5.915 1.00 45.34 H new ATOM 310 N GLU A 20 -3.841 -1.729 6.429 1.00 42.30 N ATOM 311 CA GLU A 20 -2.694 -1.010 7.023 1.00 23.11 C ATOM 312 C GLU A 20 -2.735 0.499 6.741 1.00 60.23 C ATOM 313 O GLU A 20 -2.581 1.317 7.660 1.00 51.01 O ATOM 314 CB GLU A 20 -1.350 -1.607 6.498 1.00 0.12 C ATOM 315 CG GLU A 20 -0.842 -2.829 7.282 1.00 41.43 C ATOM 316 CD GLU A 20 -0.584 -2.510 8.768 1.00 44.22 C ATOM 317 OE1 GLU A 20 0.247 -1.618 9.061 1.00 20.35 O ATOM 318 OE2 GLU A 20 -1.229 -3.119 9.650 1.00 5.30 O ATOM 0 H GLU A 20 -3.564 -2.445 5.757 1.00 42.30 H new ATOM 0 HA GLU A 20 -2.762 -1.143 8.103 1.00 23.11 H new ATOM 0 HB2 GLU A 20 -1.477 -1.890 5.453 1.00 0.12 H new ATOM 0 HB3 GLU A 20 -0.586 -0.830 6.528 1.00 0.12 H new ATOM 0 HG2 GLU A 20 -1.573 -3.634 7.208 1.00 41.43 H new ATOM 0 HG3 GLU A 20 0.079 -3.192 6.826 1.00 41.43 H new ATOM 325 N ILE A 21 -2.921 0.846 5.463 1.00 73.12 N ATOM 326 CA ILE A 21 -2.837 2.235 5.004 1.00 70.50 C ATOM 327 C ILE A 21 -4.034 3.055 5.527 1.00 4.25 C ATOM 328 O ILE A 21 -3.857 4.161 6.023 1.00 63.25 O ATOM 329 CB ILE A 21 -2.750 2.329 3.439 1.00 60.24 C ATOM 330 CG1 ILE A 21 -1.647 1.380 2.857 1.00 33.04 C ATOM 331 CG2 ILE A 21 -2.500 3.782 2.992 1.00 43.44 C ATOM 332 CD1 ILE A 21 -0.244 1.566 3.417 1.00 70.51 C ATOM 0 H ILE A 21 -3.133 0.177 4.723 1.00 73.12 H new ATOM 0 HA ILE A 21 -1.918 2.656 5.411 1.00 70.50 H new ATOM 0 HB ILE A 21 -3.710 2.000 3.042 1.00 60.24 H new ATOM 0 HG12 ILE A 21 -1.953 0.349 3.033 1.00 33.04 H new ATOM 0 HG13 ILE A 21 -1.607 1.521 1.777 1.00 33.04 H new ATOM 0 HG21 ILE A 21 -2.443 3.823 1.904 1.00 43.44 H new ATOM 0 HG22 ILE A 21 -3.318 4.415 3.337 1.00 43.44 H new ATOM 0 HG23 ILE A 21 -1.562 4.137 3.418 1.00 43.44 H new ATOM 0 HD11 ILE A 21 0.434 0.857 2.942 1.00 70.51 H new ATOM 0 HD12 ILE A 21 0.096 2.582 3.218 1.00 70.51 H new ATOM 0 HD13 ILE A 21 -0.256 1.392 4.493 1.00 70.51 H new ATOM 344 N ARG A 22 -5.243 2.474 5.457 1.00 74.10 N ATOM 345 CA ARG A 22 -6.480 3.162 5.891 1.00 74.24 C ATOM 346 C ARG A 22 -6.605 3.205 7.433 1.00 40.23 C ATOM 347 O ARG A 22 -7.410 3.975 7.965 1.00 71.53 O ATOM 348 CB ARG A 22 -7.729 2.501 5.262 1.00 10.31 C ATOM 349 CG ARG A 22 -7.809 2.590 3.718 1.00 31.13 C ATOM 350 CD ARG A 22 -9.154 2.062 3.190 1.00 53.32 C ATOM 351 NE ARG A 22 -9.225 2.012 1.717 1.00 23.21 N ATOM 352 CZ ARG A 22 -10.344 2.205 0.993 1.00 60.51 C ATOM 353 NH1 ARG A 22 -11.511 2.487 1.578 1.00 5.33 N ATOM 354 NH2 ARG A 22 -10.311 2.041 -0.313 1.00 21.02 N ATOM 0 H ARG A 22 -5.395 1.529 5.104 1.00 74.10 H new ATOM 0 HA ARG A 22 -6.417 4.191 5.538 1.00 74.24 H new ATOM 0 HB2 ARG A 22 -7.750 1.450 5.552 1.00 10.31 H new ATOM 0 HB3 ARG A 22 -8.619 2.967 5.684 1.00 10.31 H new ATOM 0 HG2 ARG A 22 -7.676 3.626 3.405 1.00 31.13 H new ATOM 0 HG3 ARG A 22 -6.994 2.016 3.277 1.00 31.13 H new ATOM 0 HD2 ARG A 22 -9.326 1.062 3.589 1.00 53.32 H new ATOM 0 HD3 ARG A 22 -9.957 2.697 3.564 1.00 53.32 H new ATOM 0 HE ARG A 22 -8.362 1.817 1.209 1.00 23.21 H new ATOM 0 HH11 ARG A 22 -11.568 2.560 2.594 1.00 5.33 H new ATOM 0 HH12 ARG A 22 -12.346 2.629 1.009 1.00 5.33 H new ATOM 0 HH21 ARG A 22 -9.441 1.769 -0.771 1.00 21.02 H new ATOM 0 HH22 ARG A 22 -11.155 2.186 -0.867 1.00 21.02 H new ATOM 368 N GLU A 23 -5.805 2.380 8.142 1.00 3.24 N ATOM 369 CA GLU A 23 -5.819 2.318 9.616 1.00 4.34 C ATOM 370 C GLU A 23 -5.186 3.593 10.195 1.00 50.32 C ATOM 371 O GLU A 23 -5.758 4.257 11.064 1.00 15.35 O ATOM 372 CB GLU A 23 -5.037 1.067 10.101 1.00 12.42 C ATOM 373 CG GLU A 23 -5.161 0.752 11.604 1.00 44.42 C ATOM 374 CD GLU A 23 -6.572 0.286 12.002 1.00 34.42 C ATOM 375 OE1 GLU A 23 -6.889 -0.904 11.807 1.00 64.41 O ATOM 376 OE2 GLU A 23 -7.383 1.113 12.472 1.00 54.20 O ATOM 0 H GLU A 23 -5.136 1.743 7.710 1.00 3.24 H new ATOM 0 HA GLU A 23 -6.850 2.244 9.962 1.00 4.34 H new ATOM 0 HB2 GLU A 23 -5.383 0.202 9.536 1.00 12.42 H new ATOM 0 HB3 GLU A 23 -3.982 1.203 9.861 1.00 12.42 H new ATOM 0 HG2 GLU A 23 -4.440 -0.021 11.869 1.00 44.42 H new ATOM 0 HG3 GLU A 23 -4.901 1.641 12.179 1.00 44.42 H new ATOM 383 N GLN A 24 -4.003 3.914 9.658 1.00 10.43 N ATOM 384 CA GLN A 24 -3.173 5.043 10.105 1.00 13.03 C ATOM 385 C GLN A 24 -3.607 6.336 9.384 1.00 13.31 C ATOM 386 O GLN A 24 -3.789 7.382 10.016 1.00 24.41 O ATOM 387 CB GLN A 24 -1.686 4.705 9.819 1.00 42.03 C ATOM 388 CG GLN A 24 -1.173 3.426 10.526 1.00 35.23 C ATOM 389 CD GLN A 24 0.165 2.947 9.959 1.00 24.42 C ATOM 390 OE1 GLN A 24 1.230 3.382 10.388 1.00 71.32 O ATOM 391 NE2 GLN A 24 0.116 2.028 8.999 1.00 11.43 N ATOM 0 H GLN A 24 -3.587 3.389 8.888 1.00 10.43 H new ATOM 0 HA GLN A 24 -3.299 5.208 11.175 1.00 13.03 H new ATOM 0 HB2 GLN A 24 -1.553 4.589 8.743 1.00 42.03 H new ATOM 0 HB3 GLN A 24 -1.068 5.549 10.128 1.00 42.03 H new ATOM 0 HG2 GLN A 24 -1.064 3.622 11.593 1.00 35.23 H new ATOM 0 HG3 GLN A 24 -1.914 2.634 10.422 1.00 35.23 H new ATOM 0 HE21 GLN A 24 -0.785 1.687 8.665 1.00 11.43 H new ATOM 0 HE22 GLN A 24 0.980 1.664 8.597 1.00 11.43 H new ATOM 400 N TRP A 25 -3.796 6.239 8.052 1.00 22.11 N ATOM 401 CA TRP A 25 -4.257 7.359 7.199 1.00 32.52 C ATOM 402 C TRP A 25 -5.629 6.985 6.589 1.00 45.32 C ATOM 403 O TRP A 25 -5.674 6.343 5.535 1.00 3.14 O ATOM 404 CB TRP A 25 -3.235 7.650 6.056 1.00 74.03 C ATOM 405 CG TRP A 25 -1.795 7.746 6.507 1.00 33.31 C ATOM 406 CD1 TRP A 25 -1.115 8.866 6.906 1.00 42.25 C ATOM 407 CD2 TRP A 25 -0.858 6.658 6.593 1.00 74.24 C ATOM 408 NE1 TRP A 25 0.166 8.530 7.260 1.00 21.44 N ATOM 409 CE2 TRP A 25 0.346 7.183 7.075 1.00 32.02 C ATOM 410 CE3 TRP A 25 -0.938 5.288 6.319 1.00 2.21 C ATOM 411 CZ2 TRP A 25 1.463 6.388 7.291 1.00 72.44 C ATOM 412 CZ3 TRP A 25 0.170 4.497 6.531 1.00 11.30 C ATOM 413 CH2 TRP A 25 1.357 5.049 7.016 1.00 4.22 C ATOM 0 H TRP A 25 -3.633 5.377 7.533 1.00 22.11 H new ATOM 0 HA TRP A 25 -4.345 8.258 7.809 1.00 32.52 H new ATOM 0 HB2 TRP A 25 -3.315 6.863 5.306 1.00 74.03 H new ATOM 0 HB3 TRP A 25 -3.512 8.585 5.568 1.00 74.03 H new ATOM 0 HD1 TRP A 25 -1.526 9.864 6.937 1.00 42.25 H new ATOM 0 HE1 TRP A 25 0.873 9.179 7.606 1.00 21.44 H new ATOM 0 HE3 TRP A 25 -1.855 4.857 5.947 1.00 2.21 H new ATOM 0 HZ2 TRP A 25 2.385 6.810 7.663 1.00 72.44 H new ATOM 0 HZ3 TRP A 25 0.120 3.439 6.320 1.00 11.30 H new ATOM 0 HH2 TRP A 25 2.210 4.407 7.178 1.00 4.22 H new ATOM 424 N PRO A 26 -6.776 7.354 7.239 1.00 20.24 N ATOM 425 CA PRO A 26 -8.130 7.028 6.705 1.00 52.52 C ATOM 426 C PRO A 26 -8.454 7.825 5.420 1.00 4.55 C ATOM 427 O PRO A 26 -9.342 7.453 4.649 1.00 31.42 O ATOM 428 CB PRO A 26 -9.065 7.412 7.881 1.00 44.55 C ATOM 429 CG PRO A 26 -8.323 8.492 8.616 1.00 75.52 C ATOM 430 CD PRO A 26 -6.857 8.111 8.526 1.00 44.31 C ATOM 0 HA PRO A 26 -8.231 5.986 6.402 1.00 52.52 H new ATOM 0 HB2 PRO A 26 -10.030 7.768 7.520 1.00 44.55 H new ATOM 0 HB3 PRO A 26 -9.262 6.556 8.527 1.00 44.55 H new ATOM 0 HG2 PRO A 26 -8.503 9.468 8.165 1.00 75.52 H new ATOM 0 HG3 PRO A 26 -8.649 8.555 9.654 1.00 75.52 H new ATOM 0 HD2 PRO A 26 -6.213 8.990 8.517 1.00 44.31 H new ATOM 0 HD3 PRO A 26 -6.548 7.498 9.373 1.00 44.31 H new ATOM 438 N LYS A 27 -7.702 8.916 5.209 1.00 21.23 N ATOM 439 CA LYS A 27 -7.888 9.838 4.080 1.00 63.03 C ATOM 440 C LYS A 27 -7.170 9.334 2.808 1.00 15.13 C ATOM 441 O LYS A 27 -7.444 9.817 1.701 1.00 72.51 O ATOM 442 CB LYS A 27 -7.357 11.244 4.487 1.00 40.24 C ATOM 443 CG LYS A 27 -7.831 11.743 5.878 1.00 70.31 C ATOM 444 CD LYS A 27 -9.370 11.853 6.005 1.00 33.14 C ATOM 445 CE LYS A 27 -9.977 12.912 5.071 1.00 41.00 C ATOM 446 NZ LYS A 27 -11.467 12.948 5.168 1.00 64.10 N ATOM 0 H LYS A 27 -6.937 9.186 5.827 1.00 21.23 H new ATOM 0 HA LYS A 27 -8.951 9.896 3.845 1.00 63.03 H new ATOM 0 HB2 LYS A 27 -6.267 11.222 4.477 1.00 40.24 H new ATOM 0 HB3 LYS A 27 -7.668 11.966 3.732 1.00 40.24 H new ATOM 0 HG2 LYS A 27 -7.459 11.063 6.645 1.00 70.31 H new ATOM 0 HG3 LYS A 27 -7.388 12.719 6.075 1.00 70.31 H new ATOM 0 HD2 LYS A 27 -9.817 10.884 5.785 1.00 33.14 H new ATOM 0 HD3 LYS A 27 -9.627 12.096 7.036 1.00 33.14 H new ATOM 0 HE2 LYS A 27 -9.573 13.893 5.322 1.00 41.00 H new ATOM 0 HE3 LYS A 27 -9.685 12.700 4.043 1.00 41.00 H new ATOM 0 HZ1 LYS A 27 -11.839 13.674 4.524 1.00 64.10 H new ATOM 0 HZ2 LYS A 27 -11.855 12.020 4.904 1.00 64.10 H new ATOM 0 HZ3 LYS A 27 -11.746 13.175 6.144 1.00 64.10 H new ATOM 460 N ALA A 28 -6.235 8.379 2.992 1.00 42.31 N ATOM 461 CA ALA A 28 -5.428 7.811 1.900 1.00 35.44 C ATOM 462 C ALA A 28 -6.291 7.017 0.898 1.00 60.22 C ATOM 463 O ALA A 28 -6.940 6.023 1.260 1.00 64.42 O ATOM 464 CB ALA A 28 -4.312 6.932 2.480 1.00 41.55 C ATOM 0 H ALA A 28 -6.020 7.981 3.906 1.00 42.31 H new ATOM 0 HA ALA A 28 -4.980 8.637 1.347 1.00 35.44 H new ATOM 0 HB1 ALA A 28 -3.718 6.514 1.667 1.00 41.55 H new ATOM 0 HB2 ALA A 28 -3.672 7.535 3.124 1.00 41.55 H new ATOM 0 HB3 ALA A 28 -4.752 6.122 3.061 1.00 41.55 H new ATOM 470 N THR A 29 -6.296 7.490 -0.364 1.00 71.24 N ATOM 471 CA THR A 29 -7.011 6.854 -1.463 1.00 1.13 C ATOM 472 C THR A 29 -6.312 5.536 -1.848 1.00 3.43 C ATOM 473 O THR A 29 -5.212 5.548 -2.415 1.00 14.22 O ATOM 474 CB THR A 29 -7.083 7.825 -2.694 1.00 10.52 C ATOM 475 OG1 THR A 29 -7.767 9.030 -2.310 1.00 44.43 O ATOM 476 CG2 THR A 29 -7.790 7.206 -3.913 1.00 54.12 C ATOM 0 H THR A 29 -5.795 8.334 -0.641 1.00 71.24 H new ATOM 0 HA THR A 29 -8.029 6.628 -1.146 1.00 1.13 H new ATOM 0 HB THR A 29 -6.056 8.036 -2.993 1.00 10.52 H new ATOM 0 HG1 THR A 29 -7.812 9.639 -3.076 1.00 44.43 H new ATOM 0 HG21 THR A 29 -7.806 7.928 -4.729 1.00 54.12 H new ATOM 0 HG22 THR A 29 -7.253 6.312 -4.230 1.00 54.12 H new ATOM 0 HG23 THR A 29 -8.812 6.939 -3.644 1.00 54.12 H new ATOM 484 N VAL A 30 -6.928 4.400 -1.471 1.00 53.15 N ATOM 485 CA VAL A 30 -6.436 3.061 -1.831 1.00 63.40 C ATOM 486 C VAL A 30 -7.444 2.412 -2.803 1.00 10.43 C ATOM 487 O VAL A 30 -8.537 2.007 -2.399 1.00 53.14 O ATOM 488 CB VAL A 30 -6.224 2.123 -0.572 1.00 22.12 C ATOM 489 CG1 VAL A 30 -5.379 0.878 -0.946 1.00 61.53 C ATOM 490 CG2 VAL A 30 -5.593 2.891 0.615 1.00 35.51 C ATOM 0 H VAL A 30 -7.779 4.387 -0.909 1.00 53.15 H new ATOM 0 HA VAL A 30 -5.459 3.178 -2.300 1.00 63.40 H new ATOM 0 HB VAL A 30 -7.207 1.781 -0.249 1.00 22.12 H new ATOM 0 HG11 VAL A 30 -5.247 0.250 -0.065 1.00 61.53 H new ATOM 0 HG12 VAL A 30 -5.891 0.311 -1.723 1.00 61.53 H new ATOM 0 HG13 VAL A 30 -4.404 1.197 -1.313 1.00 61.53 H new ATOM 0 HG21 VAL A 30 -5.464 2.214 1.459 1.00 35.51 H new ATOM 0 HG22 VAL A 30 -4.623 3.289 0.317 1.00 35.51 H new ATOM 0 HG23 VAL A 30 -6.248 3.712 0.906 1.00 35.51 H new ATOM 500 N THR A 31 -7.066 2.348 -4.076 1.00 25.53 N ATOM 501 CA THR A 31 -7.858 1.683 -5.122 1.00 5.43 C ATOM 502 C THR A 31 -7.338 0.247 -5.319 1.00 54.34 C ATOM 503 O THR A 31 -6.124 0.017 -5.345 1.00 33.22 O ATOM 504 CB THR A 31 -7.789 2.479 -6.463 1.00 74.21 C ATOM 505 OG1 THR A 31 -8.239 3.826 -6.240 1.00 71.33 O ATOM 506 CG2 THR A 31 -8.627 1.840 -7.592 1.00 1.11 C ATOM 0 H THR A 31 -6.197 2.757 -4.420 1.00 25.53 H new ATOM 0 HA THR A 31 -8.902 1.650 -4.809 1.00 5.43 H new ATOM 0 HB THR A 31 -6.749 2.464 -6.790 1.00 74.21 H new ATOM 0 HG1 THR A 31 -8.195 4.329 -7.080 1.00 71.33 H new ATOM 0 HG21 THR A 31 -8.537 2.441 -8.497 1.00 1.11 H new ATOM 0 HG22 THR A 31 -8.264 0.831 -7.789 1.00 1.11 H new ATOM 0 HG23 THR A 31 -9.673 1.796 -7.288 1.00 1.11 H new ATOM 514 N ARG A 32 -8.263 -0.715 -5.438 1.00 22.52 N ATOM 515 CA ARG A 32 -7.926 -2.119 -5.684 1.00 30.54 C ATOM 516 C ARG A 32 -7.749 -2.317 -7.196 1.00 41.13 C ATOM 517 O ARG A 32 -8.607 -1.903 -7.988 1.00 5.02 O ATOM 518 CB ARG A 32 -9.045 -3.042 -5.124 1.00 4.52 C ATOM 519 CG ARG A 32 -8.817 -4.561 -5.315 1.00 0.12 C ATOM 520 CD ARG A 32 -9.991 -5.412 -4.784 1.00 54.25 C ATOM 521 NE ARG A 32 -9.763 -6.857 -4.994 1.00 12.31 N ATOM 522 CZ ARG A 32 -10.313 -7.855 -4.268 1.00 61.32 C ATOM 523 NH1 ARG A 32 -11.136 -7.591 -3.250 1.00 61.32 N ATOM 524 NH2 ARG A 32 -10.041 -9.119 -4.584 1.00 44.11 N ATOM 0 H ARG A 32 -9.265 -0.539 -5.366 1.00 22.52 H new ATOM 0 HA ARG A 32 -6.998 -2.381 -5.176 1.00 30.54 H new ATOM 0 HB2 ARG A 32 -9.158 -2.841 -4.059 1.00 4.52 H new ATOM 0 HB3 ARG A 32 -9.987 -2.771 -5.601 1.00 4.52 H new ATOM 0 HG2 ARG A 32 -8.671 -4.772 -6.374 1.00 0.12 H new ATOM 0 HG3 ARG A 32 -7.901 -4.854 -4.803 1.00 0.12 H new ATOM 0 HD2 ARG A 32 -10.129 -5.217 -3.720 1.00 54.25 H new ATOM 0 HD3 ARG A 32 -10.912 -5.113 -5.285 1.00 54.25 H new ATOM 0 HE ARG A 32 -9.136 -7.124 -5.753 1.00 12.31 H new ATOM 0 HH11 ARG A 32 -11.358 -6.625 -3.011 1.00 61.32 H new ATOM 0 HH12 ARG A 32 -11.543 -8.356 -2.712 1.00 61.32 H new ATOM 0 HH21 ARG A 32 -9.422 -9.327 -5.368 1.00 44.11 H new ATOM 0 HH22 ARG A 32 -10.451 -9.880 -4.042 1.00 44.11 H new ATOM 538 N THR A 33 -6.621 -2.919 -7.581 1.00 31.33 N ATOM 539 CA THR A 33 -6.270 -3.210 -8.981 1.00 70.31 C ATOM 540 C THR A 33 -5.744 -4.656 -9.033 1.00 43.43 C ATOM 541 O THR A 33 -4.924 -5.025 -8.190 1.00 55.11 O ATOM 542 CB THR A 33 -5.193 -2.193 -9.518 1.00 52.30 C ATOM 543 OG1 THR A 33 -4.099 -2.088 -8.590 1.00 21.34 O ATOM 544 CG2 THR A 33 -5.781 -0.781 -9.754 1.00 74.22 C ATOM 0 H THR A 33 -5.909 -3.226 -6.918 1.00 31.33 H new ATOM 0 HA THR A 33 -7.145 -3.103 -9.622 1.00 70.31 H new ATOM 0 HB THR A 33 -4.845 -2.583 -10.475 1.00 52.30 H new ATOM 0 HG1 THR A 33 -4.066 -2.892 -8.031 1.00 21.34 H new ATOM 0 HG21 THR A 33 -4.999 -0.118 -10.124 1.00 74.22 H new ATOM 0 HG22 THR A 33 -6.584 -0.839 -10.489 1.00 74.22 H new ATOM 0 HG23 THR A 33 -6.175 -0.390 -8.816 1.00 74.22 H new ATOM 552 N ASN A 34 -6.246 -5.491 -9.960 1.00 73.34 N ATOM 553 CA ASN A 34 -5.847 -6.912 -10.064 1.00 12.05 C ATOM 554 C ASN A 34 -4.329 -7.060 -10.355 1.00 33.32 C ATOM 555 O ASN A 34 -3.867 -6.782 -11.467 1.00 75.54 O ATOM 556 CB ASN A 34 -6.726 -7.574 -11.170 1.00 45.34 C ATOM 557 CG ASN A 34 -6.391 -9.039 -11.461 1.00 21.54 C ATOM 558 OD1 ASN A 34 -6.904 -9.955 -10.818 1.00 0.42 O ATOM 559 ND2 ASN A 34 -5.538 -9.273 -12.447 1.00 3.34 N ATOM 0 H ASN A 34 -6.935 -5.205 -10.655 1.00 73.34 H new ATOM 0 HA ASN A 34 -6.013 -7.419 -9.114 1.00 12.05 H new ATOM 0 HB2 ASN A 34 -7.772 -7.507 -10.872 1.00 45.34 H new ATOM 0 HB3 ASN A 34 -6.619 -7.001 -12.091 1.00 45.34 H new ATOM 0 HD21 ASN A 34 -5.291 -10.232 -12.691 1.00 3.34 H new ATOM 0 HD22 ASN A 34 -5.128 -8.494 -12.963 1.00 3.34 H new ATOM 566 N GLY A 35 -3.568 -7.465 -9.315 1.00 52.51 N ATOM 567 CA GLY A 35 -2.117 -7.717 -9.421 1.00 3.01 C ATOM 568 C GLY A 35 -1.271 -6.624 -8.777 1.00 32.22 C ATOM 569 O GLY A 35 -0.050 -6.778 -8.645 1.00 62.04 O ATOM 0 H GLY A 35 -3.943 -7.626 -8.380 1.00 52.51 H new ATOM 0 HA2 GLY A 35 -1.885 -8.672 -8.950 1.00 3.01 H new ATOM 0 HA3 GLY A 35 -1.846 -7.806 -10.473 1.00 3.01 H new ATOM 573 N ASP A 36 -1.914 -5.507 -8.378 1.00 54.24 N ATOM 574 CA ASP A 36 -1.210 -4.335 -7.801 1.00 5.54 C ATOM 575 C ASP A 36 -1.994 -3.752 -6.605 1.00 31.13 C ATOM 576 O ASP A 36 -3.178 -4.043 -6.408 1.00 30.21 O ATOM 577 CB ASP A 36 -1.024 -3.208 -8.860 1.00 5.41 C ATOM 578 CG ASP A 36 -0.272 -3.630 -10.132 1.00 13.11 C ATOM 579 OD1 ASP A 36 -0.901 -4.179 -11.065 1.00 12.40 O ATOM 580 OD2 ASP A 36 0.944 -3.402 -10.219 1.00 35.13 O ATOM 0 H ASP A 36 -2.925 -5.389 -8.444 1.00 54.24 H new ATOM 0 HA ASP A 36 -0.234 -4.687 -7.468 1.00 5.54 H new ATOM 0 HB2 ASP A 36 -2.007 -2.832 -9.145 1.00 5.41 H new ATOM 0 HB3 ASP A 36 -0.488 -2.380 -8.397 1.00 5.41 H new ATOM 585 N ILE A 37 -1.308 -2.924 -5.804 1.00 70.45 N ATOM 586 CA ILE A 37 -1.952 -1.993 -4.868 1.00 51.42 C ATOM 587 C ILE A 37 -1.777 -0.598 -5.451 1.00 1.03 C ATOM 588 O ILE A 37 -0.665 -0.070 -5.497 1.00 12.24 O ATOM 589 CB ILE A 37 -1.353 -2.068 -3.406 1.00 0.24 C ATOM 590 CG1 ILE A 37 -1.703 -3.431 -2.743 1.00 13.42 C ATOM 591 CG2 ILE A 37 -1.815 -0.885 -2.505 1.00 53.53 C ATOM 592 CD1 ILE A 37 -3.188 -3.679 -2.530 1.00 51.03 C ATOM 0 H ILE A 37 -0.289 -2.881 -5.787 1.00 70.45 H new ATOM 0 HA ILE A 37 -3.004 -2.258 -4.760 1.00 51.42 H new ATOM 0 HB ILE A 37 -0.270 -1.985 -3.503 1.00 0.24 H new ATOM 0 HG12 ILE A 37 -1.301 -4.233 -3.362 1.00 13.42 H new ATOM 0 HG13 ILE A 37 -1.198 -3.489 -1.779 1.00 13.42 H new ATOM 0 HG21 ILE A 37 -1.373 -0.988 -1.514 1.00 53.53 H new ATOM 0 HG22 ILE A 37 -1.494 0.057 -2.949 1.00 53.53 H new ATOM 0 HG23 ILE A 37 -2.902 -0.895 -2.421 1.00 53.53 H new ATOM 0 HD11 ILE A 37 -3.331 -4.653 -2.063 1.00 51.03 H new ATOM 0 HD12 ILE A 37 -3.597 -2.903 -1.883 1.00 51.03 H new ATOM 0 HD13 ILE A 37 -3.702 -3.658 -3.491 1.00 51.03 H new ATOM 604 N LYS A 38 -2.881 -0.037 -5.943 1.00 53.40 N ATOM 605 CA LYS A 38 -2.931 1.346 -6.387 1.00 51.24 C ATOM 606 C LYS A 38 -3.241 2.206 -5.152 1.00 73.22 C ATOM 607 O LYS A 38 -4.289 2.068 -4.521 1.00 0.13 O ATOM 608 CB LYS A 38 -3.982 1.498 -7.531 1.00 61.35 C ATOM 609 CG LYS A 38 -4.376 2.943 -7.917 1.00 21.24 C ATOM 610 CD LYS A 38 -3.171 3.895 -8.120 1.00 1.34 C ATOM 611 CE LYS A 38 -3.625 5.324 -8.458 1.00 74.32 C ATOM 612 NZ LYS A 38 -2.560 6.339 -8.223 1.00 5.54 N ATOM 0 H LYS A 38 -3.766 -0.534 -6.043 1.00 53.40 H new ATOM 0 HA LYS A 38 -1.983 1.678 -6.811 1.00 51.24 H new ATOM 0 HB2 LYS A 38 -3.593 1.001 -8.420 1.00 61.35 H new ATOM 0 HB3 LYS A 38 -4.886 0.965 -7.237 1.00 61.35 H new ATOM 0 HG2 LYS A 38 -4.962 2.915 -8.836 1.00 21.24 H new ATOM 0 HG3 LYS A 38 -5.021 3.352 -7.140 1.00 21.24 H new ATOM 0 HD2 LYS A 38 -2.563 3.911 -7.215 1.00 1.34 H new ATOM 0 HD3 LYS A 38 -2.538 3.515 -8.922 1.00 1.34 H new ATOM 0 HE2 LYS A 38 -3.935 5.364 -9.502 1.00 74.32 H new ATOM 0 HE3 LYS A 38 -4.499 5.575 -7.856 1.00 74.32 H new ATOM 0 HZ1 LYS A 38 -2.995 7.238 -7.934 1.00 5.54 H new ATOM 0 HZ2 LYS A 38 -1.922 6.006 -7.472 1.00 5.54 H new ATOM 0 HZ3 LYS A 38 -2.018 6.483 -9.099 1.00 5.54 H new ATOM 626 N LEU A 39 -2.271 3.043 -4.795 1.00 2.32 N ATOM 627 CA LEU A 39 -2.316 3.903 -3.611 1.00 33.32 C ATOM 628 C LEU A 39 -1.821 5.302 -3.996 1.00 52.23 C ATOM 629 O LEU A 39 -0.934 5.458 -4.844 1.00 64.44 O ATOM 630 CB LEU A 39 -1.447 3.274 -2.475 1.00 71.52 C ATOM 631 CG LEU A 39 -1.214 4.132 -1.182 1.00 44.13 C ATOM 632 CD1 LEU A 39 -2.533 4.618 -0.558 1.00 1.41 C ATOM 633 CD2 LEU A 39 -0.367 3.352 -0.152 1.00 2.44 C ATOM 0 H LEU A 39 -1.410 3.146 -5.332 1.00 2.32 H new ATOM 0 HA LEU A 39 -3.336 3.990 -3.238 1.00 33.32 H new ATOM 0 HB2 LEU A 39 -1.913 2.335 -2.176 1.00 71.52 H new ATOM 0 HB3 LEU A 39 -0.472 3.027 -2.895 1.00 71.52 H new ATOM 0 HG LEU A 39 -0.660 5.022 -1.482 1.00 44.13 H new ATOM 0 HD11 LEU A 39 -2.318 5.207 0.334 1.00 1.41 H new ATOM 0 HD12 LEU A 39 -3.071 5.234 -1.279 1.00 1.41 H new ATOM 0 HD13 LEU A 39 -3.145 3.758 -0.286 1.00 1.41 H new ATOM 0 HD21 LEU A 39 -0.218 3.966 0.736 1.00 2.44 H new ATOM 0 HD22 LEU A 39 -0.885 2.434 0.124 1.00 2.44 H new ATOM 0 HD23 LEU A 39 0.601 3.105 -0.589 1.00 2.44 H new ATOM 645 N ASP A 40 -2.450 6.316 -3.398 1.00 54.20 N ATOM 646 CA ASP A 40 -2.022 7.709 -3.491 1.00 14.34 C ATOM 647 C ASP A 40 -1.637 8.181 -2.085 1.00 23.22 C ATOM 648 O ASP A 40 -2.498 8.311 -1.199 1.00 71.14 O ATOM 649 CB ASP A 40 -3.144 8.584 -4.098 1.00 33.34 C ATOM 650 CG ASP A 40 -3.409 8.248 -5.575 1.00 52.41 C ATOM 651 OD1 ASP A 40 -2.646 8.717 -6.455 1.00 71.23 O ATOM 652 OD2 ASP A 40 -4.362 7.494 -5.868 1.00 22.01 O ATOM 0 H ASP A 40 -3.285 6.188 -2.826 1.00 54.20 H new ATOM 0 HA ASP A 40 -1.160 7.799 -4.152 1.00 14.34 H new ATOM 0 HB2 ASP A 40 -4.061 8.444 -3.525 1.00 33.34 H new ATOM 0 HB3 ASP A 40 -2.870 9.635 -4.010 1.00 33.34 H new ATOM 657 N ALA A 41 -0.334 8.406 -1.894 1.00 14.33 N ATOM 658 CA ALA A 41 0.236 8.821 -0.607 1.00 62.30 C ATOM 659 C ALA A 41 0.057 10.325 -0.411 1.00 35.34 C ATOM 660 O ALA A 41 0.170 11.084 -1.371 1.00 2.52 O ATOM 661 CB ALA A 41 1.726 8.447 -0.554 1.00 14.34 C ATOM 0 H ALA A 41 0.361 8.305 -2.633 1.00 14.33 H new ATOM 0 HA ALA A 41 -0.287 8.304 0.198 1.00 62.30 H new ATOM 0 HB1 ALA A 41 2.145 8.757 0.403 1.00 14.34 H new ATOM 0 HB2 ALA A 41 1.835 7.368 -0.665 1.00 14.34 H new ATOM 0 HB3 ALA A 41 2.256 8.950 -1.362 1.00 14.34 H new ATOM 667 N GLN A 42 -0.240 10.736 0.839 1.00 45.03 N ATOM 668 CA GLN A 42 -0.457 12.148 1.205 1.00 54.43 C ATOM 669 C GLN A 42 0.744 13.018 0.770 1.00 41.12 C ATOM 670 O GLN A 42 0.578 14.011 0.053 1.00 42.45 O ATOM 671 CB GLN A 42 -0.722 12.248 2.733 1.00 11.32 C ATOM 672 CG GLN A 42 -0.927 13.676 3.263 1.00 75.45 C ATOM 673 CD GLN A 42 -1.375 13.714 4.726 1.00 52.33 C ATOM 674 OE1 GLN A 42 -2.572 13.702 5.022 1.00 62.25 O ATOM 675 NE2 GLN A 42 -0.427 13.737 5.645 1.00 1.13 N ATOM 0 H GLN A 42 -0.336 10.094 1.625 1.00 45.03 H new ATOM 0 HA GLN A 42 -1.331 12.531 0.679 1.00 54.43 H new ATOM 0 HB2 GLN A 42 -1.606 11.657 2.973 1.00 11.32 H new ATOM 0 HB3 GLN A 42 0.117 11.797 3.263 1.00 11.32 H new ATOM 0 HG2 GLN A 42 0.004 14.233 3.160 1.00 75.45 H new ATOM 0 HG3 GLN A 42 -1.671 14.182 2.648 1.00 75.45 H new ATOM 0 HE21 GLN A 42 0.554 13.746 5.366 1.00 1.13 H new ATOM 0 HE22 GLN A 42 -0.676 13.745 6.634 1.00 1.13 H new ATOM 684 N THR A 43 1.951 12.600 1.190 1.00 21.33 N ATOM 685 CA THR A 43 3.228 13.219 0.779 1.00 23.11 C ATOM 686 C THR A 43 4.260 12.115 0.460 1.00 2.52 C ATOM 687 O THR A 43 3.955 10.916 0.556 1.00 53.22 O ATOM 688 CB THR A 43 3.807 14.169 1.889 1.00 64.45 C ATOM 689 OG1 THR A 43 4.201 13.410 3.048 1.00 33.42 O ATOM 690 CG2 THR A 43 2.804 15.262 2.309 1.00 55.51 C ATOM 0 H THR A 43 2.071 11.815 1.831 1.00 21.33 H new ATOM 0 HA THR A 43 3.032 13.822 -0.107 1.00 23.11 H new ATOM 0 HB THR A 43 4.677 14.662 1.456 1.00 64.45 H new ATOM 0 HG1 THR A 43 3.513 13.490 3.741 1.00 33.42 H new ATOM 0 HG21 THR A 43 3.252 15.891 3.078 1.00 55.51 H new ATOM 0 HG22 THR A 43 2.548 15.873 1.443 1.00 55.51 H new ATOM 0 HG23 THR A 43 1.901 14.795 2.703 1.00 55.51 H new ATOM 698 N GLU A 44 5.481 12.537 0.068 1.00 33.01 N ATOM 699 CA GLU A 44 6.635 11.634 -0.119 1.00 42.24 C ATOM 700 C GLU A 44 7.041 11.012 1.232 1.00 72.22 C ATOM 701 O GLU A 44 7.519 9.882 1.284 1.00 71.25 O ATOM 702 CB GLU A 44 7.835 12.413 -0.725 1.00 44.43 C ATOM 703 CG GLU A 44 7.532 13.148 -2.051 1.00 63.11 C ATOM 704 CD GLU A 44 8.661 14.113 -2.457 1.00 62.41 C ATOM 705 OE1 GLU A 44 8.705 15.243 -1.920 1.00 21.22 O ATOM 706 OE2 GLU A 44 9.509 13.750 -3.304 1.00 61.02 O ATOM 0 H GLU A 44 5.694 13.515 -0.128 1.00 33.01 H new ATOM 0 HA GLU A 44 6.349 10.838 -0.807 1.00 42.24 H new ATOM 0 HB2 GLU A 44 8.182 13.143 0.007 1.00 44.43 H new ATOM 0 HB3 GLU A 44 8.655 11.715 -0.893 1.00 44.43 H new ATOM 0 HG2 GLU A 44 7.381 12.415 -2.844 1.00 63.11 H new ATOM 0 HG3 GLU A 44 6.600 13.705 -1.950 1.00 63.11 H new ATOM 713 N LYS A 45 6.841 11.788 2.318 1.00 70.24 N ATOM 714 CA LYS A 45 7.182 11.369 3.687 1.00 42.12 C ATOM 715 C LYS A 45 6.197 10.306 4.181 1.00 60.33 C ATOM 716 O LYS A 45 6.615 9.281 4.718 1.00 21.05 O ATOM 717 CB LYS A 45 7.244 12.599 4.654 1.00 63.00 C ATOM 718 CG LYS A 45 8.613 13.347 4.743 1.00 33.31 C ATOM 719 CD LYS A 45 9.094 14.044 3.434 1.00 21.12 C ATOM 720 CE LYS A 45 9.851 13.120 2.445 1.00 3.52 C ATOM 721 NZ LYS A 45 11.064 12.492 3.043 1.00 2.24 N ATOM 0 H LYS A 45 6.438 12.723 2.266 1.00 70.24 H new ATOM 0 HA LYS A 45 8.176 10.922 3.675 1.00 42.12 H new ATOM 0 HB2 LYS A 45 6.483 13.315 4.344 1.00 63.00 H new ATOM 0 HB3 LYS A 45 6.974 12.261 5.654 1.00 63.00 H new ATOM 0 HG2 LYS A 45 8.543 14.100 5.528 1.00 33.31 H new ATOM 0 HG3 LYS A 45 9.376 12.633 5.053 1.00 33.31 H new ATOM 0 HD2 LYS A 45 8.228 14.466 2.924 1.00 21.12 H new ATOM 0 HD3 LYS A 45 9.744 14.877 3.701 1.00 21.12 H new ATOM 0 HE2 LYS A 45 9.176 12.337 2.100 1.00 3.52 H new ATOM 0 HE3 LYS A 45 10.143 13.698 1.568 1.00 3.52 H new ATOM 0 HZ1 LYS A 45 11.792 12.376 2.310 1.00 2.24 H new ATOM 0 HZ2 LYS A 45 11.431 13.100 3.802 1.00 2.24 H new ATOM 0 HZ3 LYS A 45 10.816 11.561 3.435 1.00 2.24 H new ATOM 735 N GLU A 46 4.887 10.570 4.013 1.00 43.22 N ATOM 736 CA GLU A 46 3.822 9.586 4.313 1.00 62.24 C ATOM 737 C GLU A 46 3.998 8.296 3.493 1.00 1.34 C ATOM 738 O GLU A 46 3.737 7.209 4.006 1.00 32.01 O ATOM 739 CB GLU A 46 2.407 10.217 4.108 1.00 45.00 C ATOM 740 CG GLU A 46 1.861 10.999 5.337 1.00 60.13 C ATOM 741 CD GLU A 46 2.784 12.132 5.841 1.00 15.11 C ATOM 742 OE1 GLU A 46 3.703 11.867 6.660 1.00 0.03 O ATOM 743 OE2 GLU A 46 2.601 13.294 5.423 1.00 4.21 O ATOM 0 H GLU A 46 4.536 11.464 3.668 1.00 43.22 H new ATOM 0 HA GLU A 46 3.909 9.307 5.363 1.00 62.24 H new ATOM 0 HB2 GLU A 46 2.445 10.892 3.253 1.00 45.00 H new ATOM 0 HB3 GLU A 46 1.703 9.424 3.857 1.00 45.00 H new ATOM 0 HG2 GLU A 46 0.892 11.426 5.078 1.00 60.13 H new ATOM 0 HG3 GLU A 46 1.692 10.296 6.153 1.00 60.13 H new ATOM 750 N ALA A 47 4.490 8.439 2.244 1.00 64.53 N ATOM 751 CA ALA A 47 4.797 7.301 1.349 1.00 32.22 C ATOM 752 C ALA A 47 5.802 6.321 1.988 1.00 61.43 C ATOM 753 O ALA A 47 5.703 5.116 1.777 1.00 34.02 O ATOM 754 CB ALA A 47 5.333 7.807 -0.004 1.00 52.13 C ATOM 0 H ALA A 47 4.686 9.349 1.826 1.00 64.53 H new ATOM 0 HA ALA A 47 3.866 6.758 1.183 1.00 32.22 H new ATOM 0 HB1 ALA A 47 5.553 6.956 -0.649 1.00 52.13 H new ATOM 0 HB2 ALA A 47 4.582 8.438 -0.480 1.00 52.13 H new ATOM 0 HB3 ALA A 47 6.243 8.385 0.158 1.00 52.13 H new ATOM 760 N GLU A 48 6.738 6.866 2.794 1.00 42.50 N ATOM 761 CA GLU A 48 7.822 6.093 3.440 1.00 60.13 C ATOM 762 C GLU A 48 7.299 5.166 4.563 1.00 52.03 C ATOM 763 O GLU A 48 7.853 4.081 4.767 1.00 15.23 O ATOM 764 CB GLU A 48 8.914 7.057 3.982 1.00 4.05 C ATOM 765 CG GLU A 48 9.549 7.933 2.884 1.00 2.21 C ATOM 766 CD GLU A 48 10.591 8.942 3.405 1.00 50.20 C ATOM 767 OE1 GLU A 48 10.200 9.924 4.066 1.00 61.35 O ATOM 768 OE2 GLU A 48 11.800 8.772 3.135 1.00 53.40 O ATOM 0 H GLU A 48 6.763 7.861 3.017 1.00 42.50 H new ATOM 0 HA GLU A 48 8.260 5.446 2.680 1.00 60.13 H new ATOM 0 HB2 GLU A 48 8.475 7.702 4.744 1.00 4.05 H new ATOM 0 HB3 GLU A 48 9.695 6.474 4.470 1.00 4.05 H new ATOM 0 HG2 GLU A 48 10.024 7.285 2.147 1.00 2.21 H new ATOM 0 HG3 GLU A 48 8.759 8.478 2.367 1.00 2.21 H new ATOM 775 N LYS A 49 6.246 5.592 5.299 1.00 20.22 N ATOM 776 CA LYS A 49 5.626 4.740 6.356 1.00 33.43 C ATOM 777 C LYS A 49 4.577 3.800 5.717 1.00 14.01 C ATOM 778 O LYS A 49 4.348 2.699 6.203 1.00 72.52 O ATOM 779 CB LYS A 49 4.931 5.552 7.497 1.00 44.25 C ATOM 780 CG LYS A 49 5.760 6.652 8.199 1.00 45.24 C ATOM 781 CD LYS A 49 5.746 7.989 7.428 1.00 52.15 C ATOM 782 CE LYS A 49 6.248 9.170 8.260 1.00 64.43 C ATOM 783 NZ LYS A 49 6.201 10.433 7.482 1.00 72.14 N ATOM 0 H LYS A 49 5.809 6.507 5.188 1.00 20.22 H new ATOM 0 HA LYS A 49 6.445 4.181 6.809 1.00 33.43 H new ATOM 0 HB2 LYS A 49 4.038 6.018 7.082 1.00 44.25 H new ATOM 0 HB3 LYS A 49 4.598 4.846 8.257 1.00 44.25 H new ATOM 0 HG2 LYS A 49 5.368 6.812 9.203 1.00 45.24 H new ATOM 0 HG3 LYS A 49 6.789 6.311 8.309 1.00 45.24 H new ATOM 0 HD2 LYS A 49 6.364 7.893 6.536 1.00 52.15 H new ATOM 0 HD3 LYS A 49 4.730 8.196 7.091 1.00 52.15 H new ATOM 0 HE2 LYS A 49 5.639 9.270 9.158 1.00 64.43 H new ATOM 0 HE3 LYS A 49 7.270 8.979 8.587 1.00 64.43 H new ATOM 0 HZ1 LYS A 49 6.433 11.233 8.105 1.00 72.14 H new ATOM 0 HZ2 LYS A 49 6.890 10.388 6.705 1.00 72.14 H new ATOM 0 HZ3 LYS A 49 5.246 10.565 7.091 1.00 72.14 H new ATOM 797 N MET A 50 3.879 4.330 4.691 1.00 74.15 N ATOM 798 CA MET A 50 2.910 3.566 3.868 1.00 4.33 C ATOM 799 C MET A 50 3.544 2.277 3.301 1.00 50.33 C ATOM 800 O MET A 50 3.052 1.179 3.574 1.00 53.13 O ATOM 801 CB MET A 50 2.283 4.446 2.737 1.00 74.43 C ATOM 802 CG MET A 50 1.255 5.472 3.235 1.00 34.21 C ATOM 803 SD MET A 50 0.516 6.450 1.915 1.00 52.21 S ATOM 804 CE MET A 50 -0.572 7.526 2.854 1.00 30.14 C ATOM 0 H MET A 50 3.970 5.305 4.406 1.00 74.15 H new ATOM 0 HA MET A 50 2.094 3.267 4.527 1.00 4.33 H new ATOM 0 HB2 MET A 50 3.083 4.973 2.217 1.00 74.43 H new ATOM 0 HB3 MET A 50 1.804 3.793 2.007 1.00 74.43 H new ATOM 0 HG2 MET A 50 0.465 4.950 3.775 1.00 34.21 H new ATOM 0 HG3 MET A 50 1.738 6.142 3.946 1.00 34.21 H new ATOM 0 HE1 MET A 50 -1.494 7.687 2.296 1.00 30.14 H new ATOM 0 HE2 MET A 50 -0.804 7.062 3.812 1.00 30.14 H new ATOM 0 HE3 MET A 50 -0.079 8.483 3.024 1.00 30.14 H new ATOM 814 N GLU A 51 4.638 2.428 2.530 1.00 63.51 N ATOM 815 CA GLU A 51 5.395 1.290 1.950 1.00 32.42 C ATOM 816 C GLU A 51 5.993 0.364 3.042 1.00 2.32 C ATOM 817 O GLU A 51 6.160 -0.842 2.831 1.00 31.22 O ATOM 818 CB GLU A 51 6.508 1.821 1.005 1.00 50.53 C ATOM 819 CG GLU A 51 7.639 2.608 1.685 1.00 52.22 C ATOM 820 CD GLU A 51 8.657 3.196 0.684 1.00 72.13 C ATOM 821 OE1 GLU A 51 8.342 4.217 0.033 1.00 22.11 O ATOM 822 OE2 GLU A 51 9.770 2.641 0.538 1.00 44.44 O ATOM 0 H GLU A 51 5.026 3.340 2.289 1.00 63.51 H new ATOM 0 HA GLU A 51 4.694 0.685 1.375 1.00 32.42 H new ATOM 0 HB2 GLU A 51 6.946 0.974 0.477 1.00 50.53 H new ATOM 0 HB3 GLU A 51 6.046 2.461 0.253 1.00 50.53 H new ATOM 0 HG2 GLU A 51 7.207 3.418 2.272 1.00 52.22 H new ATOM 0 HG3 GLU A 51 8.161 1.952 2.382 1.00 52.22 H new ATOM 829 N LYS A 52 6.291 0.949 4.206 1.00 44.33 N ATOM 830 CA LYS A 52 6.829 0.220 5.369 1.00 42.44 C ATOM 831 C LYS A 52 5.707 -0.648 6.003 1.00 60.12 C ATOM 832 O LYS A 52 5.945 -1.783 6.438 1.00 24.25 O ATOM 833 CB LYS A 52 7.416 1.246 6.378 1.00 53.44 C ATOM 834 CG LYS A 52 8.222 0.645 7.545 1.00 73.15 C ATOM 835 CD LYS A 52 8.731 1.726 8.531 1.00 50.22 C ATOM 836 CE LYS A 52 9.461 1.127 9.747 1.00 51.34 C ATOM 837 NZ LYS A 52 10.687 0.375 9.356 1.00 43.34 N ATOM 0 H LYS A 52 6.167 1.947 4.373 1.00 44.33 H new ATOM 0 HA LYS A 52 7.631 -0.454 5.066 1.00 42.44 H new ATOM 0 HB2 LYS A 52 8.060 1.937 5.833 1.00 53.44 H new ATOM 0 HB3 LYS A 52 6.595 1.833 6.791 1.00 53.44 H new ATOM 0 HG2 LYS A 52 7.599 -0.069 8.083 1.00 73.15 H new ATOM 0 HG3 LYS A 52 9.072 0.090 7.148 1.00 73.15 H new ATOM 0 HD2 LYS A 52 9.405 2.403 8.005 1.00 50.22 H new ATOM 0 HD3 LYS A 52 7.887 2.322 8.877 1.00 50.22 H new ATOM 0 HE2 LYS A 52 9.732 1.927 10.436 1.00 51.34 H new ATOM 0 HE3 LYS A 52 8.784 0.461 10.283 1.00 51.34 H new ATOM 0 HZ1 LYS A 52 11.172 0.034 10.210 1.00 43.34 H new ATOM 0 HZ2 LYS A 52 10.422 -0.436 8.761 1.00 43.34 H new ATOM 0 HZ3 LYS A 52 11.324 1.002 8.824 1.00 43.34 H new ATOM 851 N ALA A 53 4.477 -0.092 6.019 1.00 62.42 N ATOM 852 CA ALA A 53 3.262 -0.763 6.530 1.00 51.51 C ATOM 853 C ALA A 53 2.849 -1.936 5.630 1.00 24.43 C ATOM 854 O ALA A 53 2.325 -2.945 6.119 1.00 23.22 O ATOM 855 CB ALA A 53 2.112 0.249 6.669 1.00 32.11 C ATOM 0 H ALA A 53 4.297 0.850 5.672 1.00 62.42 H new ATOM 0 HA ALA A 53 3.491 -1.170 7.515 1.00 51.51 H new ATOM 0 HB1 ALA A 53 1.224 -0.259 7.046 1.00 32.11 H new ATOM 0 HB2 ALA A 53 2.402 1.037 7.364 1.00 32.11 H new ATOM 0 HB3 ALA A 53 1.893 0.687 5.695 1.00 32.11 H new ATOM 861 N VAL A 54 3.074 -1.778 4.316 1.00 52.33 N ATOM 862 CA VAL A 54 2.910 -2.860 3.327 1.00 34.42 C ATOM 863 C VAL A 54 3.789 -4.074 3.713 1.00 74.15 C ATOM 864 O VAL A 54 3.329 -5.226 3.739 1.00 45.14 O ATOM 865 CB VAL A 54 3.313 -2.360 1.886 1.00 44.43 C ATOM 866 CG1 VAL A 54 3.251 -3.495 0.844 1.00 64.41 C ATOM 867 CG2 VAL A 54 2.453 -1.157 1.440 1.00 55.53 C ATOM 0 H VAL A 54 3.376 -0.894 3.906 1.00 52.33 H new ATOM 0 HA VAL A 54 1.862 -3.158 3.320 1.00 34.42 H new ATOM 0 HB VAL A 54 4.349 -2.027 1.948 1.00 44.43 H new ATOM 0 HG11 VAL A 54 3.536 -3.107 -0.134 1.00 64.41 H new ATOM 0 HG12 VAL A 54 3.937 -4.292 1.132 1.00 64.41 H new ATOM 0 HG13 VAL A 54 2.236 -3.890 0.796 1.00 64.41 H new ATOM 0 HG21 VAL A 54 2.759 -0.840 0.443 1.00 55.53 H new ATOM 0 HG22 VAL A 54 1.403 -1.448 1.422 1.00 55.53 H new ATOM 0 HG23 VAL A 54 2.589 -0.333 2.140 1.00 55.53 H new ATOM 877 N LYS A 55 5.065 -3.768 4.004 1.00 22.33 N ATOM 878 CA LYS A 55 6.097 -4.767 4.353 1.00 34.24 C ATOM 879 C LYS A 55 5.830 -5.523 5.679 1.00 24.02 C ATOM 880 O LYS A 55 6.534 -6.498 5.968 1.00 72.20 O ATOM 881 CB LYS A 55 7.513 -4.121 4.321 1.00 63.12 C ATOM 882 CG LYS A 55 7.982 -3.740 2.894 1.00 24.01 C ATOM 883 CD LYS A 55 9.427 -3.189 2.857 1.00 52.34 C ATOM 884 CE LYS A 55 9.915 -2.888 1.424 1.00 72.41 C ATOM 885 NZ LYS A 55 9.937 -4.108 0.562 1.00 70.14 N ATOM 0 H LYS A 55 5.416 -2.810 4.004 1.00 22.33 H new ATOM 0 HA LYS A 55 6.047 -5.539 3.586 1.00 34.24 H new ATOM 0 HB2 LYS A 55 7.511 -3.228 4.946 1.00 63.12 H new ATOM 0 HB3 LYS A 55 8.231 -4.815 4.759 1.00 63.12 H new ATOM 0 HG2 LYS A 55 7.918 -4.617 2.250 1.00 24.01 H new ATOM 0 HG3 LYS A 55 7.304 -2.992 2.483 1.00 24.01 H new ATOM 0 HD2 LYS A 55 9.479 -2.278 3.453 1.00 52.34 H new ATOM 0 HD3 LYS A 55 10.099 -3.912 3.321 1.00 52.34 H new ATOM 0 HE2 LYS A 55 9.265 -2.139 0.972 1.00 72.41 H new ATOM 0 HE3 LYS A 55 10.916 -2.458 1.467 1.00 72.41 H new ATOM 0 HZ1 LYS A 55 10.878 -4.211 0.131 1.00 70.14 H new ATOM 0 HZ2 LYS A 55 9.728 -4.946 1.141 1.00 70.14 H new ATOM 0 HZ3 LYS A 55 9.221 -4.017 -0.187 1.00 70.14 H new ATOM 899 N LYS A 56 4.827 -5.084 6.478 1.00 64.01 N ATOM 900 CA LYS A 56 4.347 -5.880 7.636 1.00 20.44 C ATOM 901 C LYS A 56 3.688 -7.186 7.140 1.00 75.33 C ATOM 902 O LYS A 56 4.014 -8.281 7.602 1.00 20.11 O ATOM 903 CB LYS A 56 3.311 -5.111 8.512 1.00 71.51 C ATOM 904 CG LYS A 56 3.820 -3.828 9.218 1.00 43.04 C ATOM 905 CD LYS A 56 2.865 -3.410 10.370 1.00 63.22 C ATOM 906 CE LYS A 56 3.204 -2.047 10.989 1.00 72.21 C ATOM 907 NZ LYS A 56 2.920 -0.936 10.045 1.00 50.12 N ATOM 0 H LYS A 56 4.341 -4.197 6.346 1.00 64.01 H new ATOM 0 HA LYS A 56 5.222 -6.089 8.251 1.00 20.44 H new ATOM 0 HB2 LYS A 56 2.465 -4.840 7.881 1.00 71.51 H new ATOM 0 HB3 LYS A 56 2.935 -5.794 9.274 1.00 71.51 H new ATOM 0 HG2 LYS A 56 4.821 -4.000 9.615 1.00 43.04 H new ATOM 0 HG3 LYS A 56 3.899 -3.017 8.494 1.00 43.04 H new ATOM 0 HD2 LYS A 56 1.843 -3.383 9.991 1.00 63.22 H new ATOM 0 HD3 LYS A 56 2.896 -4.171 11.150 1.00 63.22 H new ATOM 0 HE2 LYS A 56 2.626 -1.907 11.902 1.00 72.21 H new ATOM 0 HE3 LYS A 56 4.257 -2.026 11.272 1.00 72.21 H new ATOM 0 HZ1 LYS A 56 2.597 -0.102 10.577 1.00 50.12 H new ATOM 0 HZ2 LYS A 56 3.785 -0.698 9.519 1.00 50.12 H new ATOM 0 HZ3 LYS A 56 2.178 -1.229 9.377 1.00 50.12 H new ATOM 921 N VAL A 57 2.772 -7.030 6.172 1.00 22.21 N ATOM 922 CA VAL A 57 1.969 -8.139 5.618 1.00 1.23 C ATOM 923 C VAL A 57 2.800 -8.974 4.619 1.00 33.45 C ATOM 924 O VAL A 57 2.619 -10.196 4.506 1.00 33.01 O ATOM 925 CB VAL A 57 0.677 -7.584 4.909 1.00 12.41 C ATOM 926 CG1 VAL A 57 -0.213 -8.720 4.350 1.00 45.25 C ATOM 927 CG2 VAL A 57 -0.119 -6.663 5.863 1.00 54.25 C ATOM 0 H VAL A 57 2.564 -6.127 5.747 1.00 22.21 H new ATOM 0 HA VAL A 57 1.670 -8.783 6.445 1.00 1.23 H new ATOM 0 HB VAL A 57 1.003 -6.990 4.055 1.00 12.41 H new ATOM 0 HG11 VAL A 57 -1.092 -8.291 3.870 1.00 45.25 H new ATOM 0 HG12 VAL A 57 0.352 -9.299 3.620 1.00 45.25 H new ATOM 0 HG13 VAL A 57 -0.527 -9.371 5.166 1.00 45.25 H new ATOM 0 HG21 VAL A 57 -1.007 -6.291 5.353 1.00 54.25 H new ATOM 0 HG22 VAL A 57 -0.418 -7.226 6.747 1.00 54.25 H new ATOM 0 HG23 VAL A 57 0.506 -5.822 6.163 1.00 54.25 H new ATOM 937 N LYS A 58 3.749 -8.303 3.940 1.00 30.33 N ATOM 938 CA LYS A 58 4.543 -8.911 2.858 1.00 21.03 C ATOM 939 C LYS A 58 5.936 -8.204 2.767 1.00 63.42 C ATOM 940 O LYS A 58 6.061 -7.132 2.162 1.00 42.13 O ATOM 941 CB LYS A 58 3.736 -8.888 1.514 1.00 61.24 C ATOM 942 CG LYS A 58 3.263 -7.491 1.026 1.00 50.43 C ATOM 943 CD LYS A 58 2.300 -7.546 -0.186 1.00 42.12 C ATOM 944 CE LYS A 58 2.790 -8.443 -1.339 1.00 1.05 C ATOM 945 NZ LYS A 58 4.097 -8.016 -1.899 1.00 60.31 N ATOM 0 H LYS A 58 3.986 -7.328 4.125 1.00 30.33 H new ATOM 0 HA LYS A 58 4.738 -9.961 3.074 1.00 21.03 H new ATOM 0 HB2 LYS A 58 4.355 -9.333 0.734 1.00 61.24 H new ATOM 0 HB3 LYS A 58 2.860 -9.526 1.629 1.00 61.24 H new ATOM 0 HG2 LYS A 58 2.767 -6.977 1.850 1.00 50.43 H new ATOM 0 HG3 LYS A 58 4.136 -6.895 0.758 1.00 50.43 H new ATOM 0 HD2 LYS A 58 1.328 -7.906 0.152 1.00 42.12 H new ATOM 0 HD3 LYS A 58 2.152 -6.535 -0.565 1.00 42.12 H new ATOM 0 HE2 LYS A 58 2.873 -9.469 -0.982 1.00 1.05 H new ATOM 0 HE3 LYS A 58 2.044 -8.442 -2.134 1.00 1.05 H new ATOM 0 HZ1 LYS A 58 4.395 -8.688 -2.635 1.00 60.31 H new ATOM 0 HZ2 LYS A 58 4.004 -7.067 -2.314 1.00 60.31 H new ATOM 0 HZ3 LYS A 58 4.809 -7.994 -1.141 1.00 60.31 H new ATOM 959 N PRO A 59 7.017 -8.805 3.390 1.00 32.34 N ATOM 960 CA PRO A 59 8.371 -8.172 3.480 1.00 71.23 C ATOM 961 C PRO A 59 9.042 -7.937 2.104 1.00 21.42 C ATOM 962 O PRO A 59 9.657 -6.888 1.875 1.00 5.44 O ATOM 963 CB PRO A 59 9.178 -9.181 4.352 1.00 2.25 C ATOM 964 CG PRO A 59 8.451 -10.485 4.218 1.00 42.35 C ATOM 965 CD PRO A 59 6.990 -10.123 4.092 1.00 14.22 C ATOM 0 HA PRO A 59 8.320 -7.169 3.905 1.00 71.23 H new ATOM 0 HB2 PRO A 59 10.207 -9.267 4.004 1.00 2.25 H new ATOM 0 HB3 PRO A 59 9.219 -8.858 5.392 1.00 2.25 H new ATOM 0 HG2 PRO A 59 8.795 -11.038 3.344 1.00 42.35 H new ATOM 0 HG3 PRO A 59 8.624 -11.121 5.086 1.00 42.35 H new ATOM 0 HD2 PRO A 59 6.439 -10.871 3.521 1.00 14.22 H new ATOM 0 HD3 PRO A 59 6.509 -10.049 5.067 1.00 14.22 H new ATOM 973 N ASN A 60 8.859 -8.894 1.181 1.00 34.02 N ATOM 974 CA ASN A 60 9.541 -8.912 -0.139 1.00 30.44 C ATOM 975 C ASN A 60 8.711 -8.177 -1.218 1.00 20.44 C ATOM 976 O ASN A 60 8.897 -8.411 -2.420 1.00 10.53 O ATOM 977 CB ASN A 60 9.821 -10.383 -0.562 1.00 13.33 C ATOM 978 CG ASN A 60 10.843 -11.073 0.342 1.00 61.12 C ATOM 979 OD1 ASN A 60 10.382 -11.646 1.441 1.00 21.23 O flip ATOM 980 ND2 ASN A 60 12.041 -11.076 0.058 1.00 13.24 N flip ATOM 0 H ASN A 60 8.231 -9.686 1.323 1.00 34.02 H new ATOM 0 HA ASN A 60 10.488 -8.380 -0.045 1.00 30.44 H new ATOM 0 HB2 ASN A 60 8.888 -10.946 -0.544 1.00 13.33 H new ATOM 0 HB3 ASN A 60 10.183 -10.398 -1.590 1.00 13.33 H new ATOM 0 HD21 ASN A 60 12.363 -10.625 -0.798 1.00 13.24 H new ATOM 0 HD22 ASN A 60 12.711 -11.530 0.679 1.00 13.24 H new ATOM 987 N ALA A 61 7.810 -7.277 -0.775 1.00 2.04 N ATOM 988 CA ALA A 61 7.003 -6.422 -1.664 1.00 12.52 C ATOM 989 C ALA A 61 7.886 -5.487 -2.510 1.00 63.13 C ATOM 990 O ALA A 61 8.595 -4.641 -1.950 1.00 44.21 O ATOM 991 CB ALA A 61 6.007 -5.596 -0.829 1.00 52.24 C ATOM 0 H ALA A 61 7.622 -7.123 0.216 1.00 2.04 H new ATOM 0 HA ALA A 61 6.457 -7.070 -2.349 1.00 12.52 H new ATOM 0 HB1 ALA A 61 5.413 -4.966 -1.490 1.00 52.24 H new ATOM 0 HB2 ALA A 61 5.348 -6.268 -0.279 1.00 52.24 H new ATOM 0 HB3 ALA A 61 6.554 -4.969 -0.125 1.00 52.24 H new ATOM 997 N THR A 62 7.856 -5.668 -3.845 1.00 25.40 N ATOM 998 CA THR A 62 8.476 -4.720 -4.778 1.00 61.12 C ATOM 999 C THR A 62 7.548 -3.494 -4.899 1.00 0.11 C ATOM 1000 O THR A 62 6.515 -3.531 -5.583 1.00 31.02 O ATOM 1001 CB THR A 62 8.735 -5.383 -6.173 1.00 21.43 C ATOM 1002 OG1 THR A 62 9.552 -6.554 -6.000 1.00 5.52 O ATOM 1003 CG2 THR A 62 9.423 -4.422 -7.167 1.00 43.52 C ATOM 0 H THR A 62 7.407 -6.465 -4.297 1.00 25.40 H new ATOM 0 HA THR A 62 9.450 -4.409 -4.400 1.00 61.12 H new ATOM 0 HB THR A 62 7.765 -5.648 -6.593 1.00 21.43 H new ATOM 0 HG1 THR A 62 9.714 -6.972 -6.872 1.00 5.52 H new ATOM 0 HG21 THR A 62 9.579 -4.932 -8.118 1.00 43.52 H new ATOM 0 HG22 THR A 62 8.792 -3.547 -7.324 1.00 43.52 H new ATOM 0 HG23 THR A 62 10.385 -4.107 -6.762 1.00 43.52 H new ATOM 1011 N ILE A 63 7.924 -2.426 -4.181 1.00 51.43 N ATOM 1012 CA ILE A 63 7.112 -1.211 -4.032 1.00 61.54 C ATOM 1013 C ILE A 63 7.679 -0.113 -4.926 1.00 24.33 C ATOM 1014 O ILE A 63 8.806 0.348 -4.730 1.00 1.42 O ATOM 1015 CB ILE A 63 7.062 -0.744 -2.530 1.00 23.14 C ATOM 1016 CG1 ILE A 63 6.475 -1.892 -1.646 1.00 61.35 C ATOM 1017 CG2 ILE A 63 6.248 0.570 -2.378 1.00 51.45 C ATOM 1018 CD1 ILE A 63 6.663 -1.731 -0.156 1.00 3.21 C ATOM 0 H ILE A 63 8.812 -2.382 -3.681 1.00 51.43 H new ATOM 0 HA ILE A 63 6.089 -1.428 -4.338 1.00 61.54 H new ATOM 0 HB ILE A 63 8.075 -0.528 -2.190 1.00 23.14 H new ATOM 0 HG12 ILE A 63 5.408 -1.975 -1.852 1.00 61.35 H new ATOM 0 HG13 ILE A 63 6.933 -2.832 -1.952 1.00 61.35 H new ATOM 0 HG21 ILE A 63 6.231 0.868 -1.330 1.00 51.45 H new ATOM 0 HG22 ILE A 63 6.713 1.357 -2.972 1.00 51.45 H new ATOM 0 HG23 ILE A 63 5.228 0.408 -2.726 1.00 51.45 H new ATOM 0 HD11 ILE A 63 6.219 -2.582 0.361 1.00 3.21 H new ATOM 0 HD12 ILE A 63 7.728 -1.682 0.073 1.00 3.21 H new ATOM 0 HD13 ILE A 63 6.178 -0.812 0.175 1.00 3.21 H new ATOM 1030 N ARG A 64 6.859 0.309 -5.881 1.00 10.41 N ATOM 1031 CA ARG A 64 7.251 1.231 -6.942 1.00 35.33 C ATOM 1032 C ARG A 64 6.673 2.608 -6.590 1.00 33.21 C ATOM 1033 O ARG A 64 5.453 2.777 -6.511 1.00 43.24 O ATOM 1034 CB ARG A 64 6.740 0.692 -8.308 1.00 70.41 C ATOM 1035 CG ARG A 64 7.288 -0.723 -8.641 1.00 14.42 C ATOM 1036 CD ARG A 64 6.668 -1.332 -9.913 1.00 52.42 C ATOM 1037 NE ARG A 64 7.209 -2.676 -10.227 1.00 23.25 N ATOM 1038 CZ ARG A 64 6.677 -3.862 -9.838 1.00 11.01 C ATOM 1039 NH1 ARG A 64 5.576 -3.917 -9.093 1.00 2.42 N ATOM 1040 NH2 ARG A 64 7.256 -4.992 -10.214 1.00 21.41 N ATOM 0 H ARG A 64 5.884 0.015 -5.941 1.00 10.41 H new ATOM 0 HA ARG A 64 8.334 1.321 -7.029 1.00 35.33 H new ATOM 0 HB2 ARG A 64 5.651 0.661 -8.296 1.00 70.41 H new ATOM 0 HB3 ARG A 64 7.031 1.384 -9.098 1.00 70.41 H new ATOM 0 HG2 ARG A 64 8.370 -0.667 -8.763 1.00 14.42 H new ATOM 0 HG3 ARG A 64 7.097 -1.387 -7.798 1.00 14.42 H new ATOM 0 HD2 ARG A 64 5.587 -1.400 -9.789 1.00 52.42 H new ATOM 0 HD3 ARG A 64 6.850 -0.666 -10.756 1.00 52.42 H new ATOM 0 HE ARG A 64 8.060 -2.713 -10.788 1.00 23.25 H new ATOM 0 HH11 ARG A 64 5.113 -3.056 -8.802 1.00 2.42 H new ATOM 0 HH12 ARG A 64 5.194 -4.820 -8.813 1.00 2.42 H new ATOM 0 HH21 ARG A 64 8.096 -4.967 -10.792 1.00 21.41 H new ATOM 0 HH22 ARG A 64 6.862 -5.888 -9.926 1.00 21.41 H new ATOM 1054 N LYS A 65 7.566 3.571 -6.333 1.00 43.41 N ATOM 1055 CA LYS A 65 7.209 4.914 -5.857 1.00 43.35 C ATOM 1056 C LYS A 65 7.580 5.942 -6.931 1.00 50.44 C ATOM 1057 O LYS A 65 8.756 6.066 -7.310 1.00 75.51 O ATOM 1058 CB LYS A 65 7.912 5.205 -4.498 1.00 0.22 C ATOM 1059 CG LYS A 65 7.723 6.642 -3.948 1.00 2.12 C ATOM 1060 CD LYS A 65 8.127 6.823 -2.454 1.00 41.21 C ATOM 1061 CE LYS A 65 9.633 6.645 -2.166 1.00 30.02 C ATOM 1062 NZ LYS A 65 10.077 5.222 -2.197 1.00 13.14 N ATOM 0 H LYS A 65 8.570 3.438 -6.451 1.00 43.41 H new ATOM 0 HA LYS A 65 6.135 4.979 -5.682 1.00 43.35 H new ATOM 0 HB2 LYS A 65 7.540 4.498 -3.757 1.00 0.22 H new ATOM 0 HB3 LYS A 65 8.979 5.015 -4.612 1.00 0.22 H new ATOM 0 HG2 LYS A 65 8.311 7.330 -4.556 1.00 2.12 H new ATOM 0 HG3 LYS A 65 6.678 6.927 -4.065 1.00 2.12 H new ATOM 0 HD2 LYS A 65 7.824 7.818 -2.128 1.00 41.21 H new ATOM 0 HD3 LYS A 65 7.569 6.106 -1.852 1.00 41.21 H new ATOM 0 HE2 LYS A 65 10.205 7.213 -2.900 1.00 30.02 H new ATOM 0 HE3 LYS A 65 9.861 7.068 -1.188 1.00 30.02 H new ATOM 0 HZ1 LYS A 65 10.808 5.071 -1.473 1.00 13.14 H new ATOM 0 HZ2 LYS A 65 9.265 4.601 -2.005 1.00 13.14 H new ATOM 0 HZ3 LYS A 65 10.468 5.001 -3.135 1.00 13.14 H new ATOM 1076 N THR A 66 6.557 6.652 -7.430 1.00 62.25 N ATOM 1077 CA THR A 66 6.691 7.652 -8.497 1.00 3.24 C ATOM 1078 C THR A 66 5.970 8.944 -8.090 1.00 4.23 C ATOM 1079 O THR A 66 4.844 8.894 -7.598 1.00 3.12 O ATOM 1080 CB THR A 66 6.087 7.113 -9.834 1.00 44.15 C ATOM 1081 OG1 THR A 66 6.603 5.797 -10.100 1.00 43.43 O ATOM 1082 CG2 THR A 66 6.396 8.036 -11.030 1.00 63.54 C ATOM 0 H THR A 66 5.599 6.545 -7.097 1.00 62.25 H new ATOM 0 HA THR A 66 7.751 7.858 -8.650 1.00 3.24 H new ATOM 0 HB THR A 66 5.004 7.080 -9.714 1.00 44.15 H new ATOM 0 HG1 THR A 66 6.222 5.459 -10.938 1.00 43.43 H new ATOM 0 HG21 THR A 66 5.955 7.618 -11.935 1.00 63.54 H new ATOM 0 HG22 THR A 66 5.976 9.025 -10.845 1.00 63.54 H new ATOM 0 HG23 THR A 66 7.475 8.118 -11.157 1.00 63.54 H new ATOM 1090 N GLY A 67 6.627 10.087 -8.304 1.00 11.50 N ATOM 1091 CA GLY A 67 6.053 11.402 -8.011 1.00 11.50 C ATOM 1092 C GLY A 67 6.806 12.129 -6.910 1.00 32.22 C ATOM 1093 O GLY A 67 7.586 11.511 -6.172 1.00 4.25 O ATOM 0 H GLY A 67 7.572 10.126 -8.685 1.00 11.50 H new ATOM 0 HA2 GLY A 67 6.062 12.009 -8.916 1.00 11.50 H new ATOM 0 HA3 GLY A 67 5.010 11.283 -7.717 1.00 11.50 H new ATOM 1097 N GLY A 68 6.557 13.440 -6.782 1.00 23.42 N ATOM 1098 CA GLY A 68 7.266 14.283 -5.825 1.00 55.12 C ATOM 1099 C GLY A 68 6.441 15.468 -5.371 1.00 71.50 C ATOM 1100 O GLY A 68 5.280 15.613 -5.771 1.00 14.34 O ATOM 0 H GLY A 68 5.862 13.938 -7.338 1.00 23.42 H new ATOM 0 HA2 GLY A 68 7.545 13.686 -4.957 1.00 55.12 H new ATOM 0 HA3 GLY A 68 8.191 14.641 -6.277 1.00 55.12 H new ATOM 1104 N SER A 69 7.037 16.320 -4.523 1.00 25.40 N ATOM 1105 CA SER A 69 6.416 17.566 -4.043 1.00 21.02 C ATOM 1106 C SER A 69 7.508 18.658 -3.917 1.00 1.05 C ATOM 1107 O SER A 69 8.150 18.786 -2.867 1.00 43.21 O ATOM 1108 CB SER A 69 5.695 17.314 -2.686 1.00 64.11 C ATOM 1109 OG SER A 69 4.658 16.341 -2.791 1.00 32.03 O ATOM 0 H SER A 69 7.972 16.163 -4.147 1.00 25.40 H new ATOM 0 HA SER A 69 5.664 17.910 -4.753 1.00 21.02 H new ATOM 0 HB2 SER A 69 6.425 16.984 -1.946 1.00 64.11 H new ATOM 0 HB3 SER A 69 5.274 18.251 -2.322 1.00 64.11 H new ATOM 0 HG SER A 69 4.237 16.216 -1.915 1.00 32.03 H new ATOM 1115 N LEU A 70 7.762 19.406 -5.018 1.00 65.15 N ATOM 1116 CA LEU A 70 8.794 20.466 -5.052 1.00 44.22 C ATOM 1117 C LEU A 70 8.283 21.739 -4.345 1.00 35.34 C ATOM 1118 O LEU A 70 7.690 22.628 -4.973 1.00 35.02 O ATOM 1119 CB LEU A 70 9.244 20.770 -6.517 1.00 61.23 C ATOM 1120 CG LEU A 70 9.999 19.624 -7.270 1.00 15.30 C ATOM 1121 CD1 LEU A 70 10.357 20.041 -8.714 1.00 64.33 C ATOM 1122 CD2 LEU A 70 11.255 19.162 -6.493 1.00 22.00 C ATOM 0 H LEU A 70 7.261 19.292 -5.899 1.00 65.15 H new ATOM 0 HA LEU A 70 9.670 20.107 -4.512 1.00 44.22 H new ATOM 0 HB2 LEU A 70 8.360 21.034 -7.097 1.00 61.23 H new ATOM 0 HB3 LEU A 70 9.888 21.649 -6.500 1.00 61.23 H new ATOM 0 HG LEU A 70 9.320 18.773 -7.329 1.00 15.30 H new ATOM 0 HD11 LEU A 70 10.880 19.223 -9.210 1.00 64.33 H new ATOM 0 HD12 LEU A 70 9.444 20.273 -9.263 1.00 64.33 H new ATOM 0 HD13 LEU A 70 10.999 20.921 -8.690 1.00 64.33 H new ATOM 0 HD21 LEU A 70 11.753 18.366 -7.046 1.00 22.00 H new ATOM 0 HD22 LEU A 70 11.938 20.003 -6.373 1.00 22.00 H new ATOM 0 HD23 LEU A 70 10.960 18.792 -5.511 1.00 22.00 H new ATOM 1134 N GLU A 71 8.459 21.767 -3.012 1.00 65.34 N ATOM 1135 CA GLU A 71 8.165 22.944 -2.175 1.00 32.32 C ATOM 1136 C GLU A 71 9.303 23.981 -2.303 1.00 60.35 C ATOM 1137 O GLU A 71 10.476 23.612 -2.446 1.00 61.24 O ATOM 1138 CB GLU A 71 7.943 22.526 -0.691 1.00 70.14 C ATOM 1139 CG GLU A 71 9.098 21.713 -0.069 1.00 53.44 C ATOM 1140 CD GLU A 71 8.899 21.428 1.430 1.00 45.42 C ATOM 1141 OE1 GLU A 71 8.194 20.460 1.780 1.00 40.22 O ATOM 1142 OE2 GLU A 71 9.427 22.184 2.270 1.00 2.43 O ATOM 0 H GLU A 71 8.811 20.970 -2.482 1.00 65.34 H new ATOM 0 HA GLU A 71 7.242 23.404 -2.526 1.00 32.32 H new ATOM 0 HB2 GLU A 71 7.787 23.425 -0.094 1.00 70.14 H new ATOM 0 HB3 GLU A 71 7.027 21.938 -0.627 1.00 70.14 H new ATOM 0 HG2 GLU A 71 9.197 20.767 -0.602 1.00 53.44 H new ATOM 0 HG3 GLU A 71 10.033 22.256 -0.208 1.00 53.44 H new ATOM 1149 N HIS A 72 8.942 25.275 -2.252 1.00 1.21 N ATOM 1150 CA HIS A 72 9.871 26.390 -2.525 1.00 50.42 C ATOM 1151 C HIS A 72 9.246 27.712 -2.030 1.00 25.23 C ATOM 1152 O HIS A 72 8.112 28.044 -2.401 1.00 24.23 O ATOM 1153 CB HIS A 72 10.212 26.465 -4.049 1.00 21.11 C ATOM 1154 CG HIS A 72 9.027 26.721 -4.961 1.00 24.15 C ATOM 1155 ND1 HIS A 72 8.982 27.768 -5.850 1.00 12.44 N ATOM 1156 CD2 HIS A 72 7.835 26.086 -5.087 1.00 35.54 C ATOM 1157 CE1 HIS A 72 7.825 27.772 -6.471 1.00 64.43 C ATOM 1158 NE2 HIS A 72 7.109 26.761 -6.025 1.00 32.42 N ATOM 0 H HIS A 72 7.997 25.580 -2.020 1.00 1.21 H new ATOM 0 HA HIS A 72 10.804 26.219 -1.988 1.00 50.42 H new ATOM 0 HB2 HIS A 72 10.947 27.255 -4.203 1.00 21.11 H new ATOM 0 HB3 HIS A 72 10.684 25.529 -4.346 1.00 21.11 H new ATOM 0 HD2 HIS A 72 7.519 25.207 -4.545 1.00 35.54 H new ATOM 0 HE1 HIS A 72 7.513 28.484 -7.221 1.00 64.43 H new ATOM 0 HE2 HIS A 72 6.166 26.521 -6.331 1.00 32.42 H new ATOM 1167 N HIS A 73 9.963 28.435 -1.152 1.00 20.21 N ATOM 1168 CA HIS A 73 9.496 29.713 -0.594 1.00 61.33 C ATOM 1169 C HIS A 73 9.601 30.832 -1.645 1.00 31.31 C ATOM 1170 O HIS A 73 10.683 31.082 -2.174 1.00 21.14 O ATOM 1171 CB HIS A 73 10.314 30.091 0.667 1.00 63.14 C ATOM 1172 CG HIS A 73 10.109 29.178 1.849 1.00 41.31 C ATOM 1173 ND1 HIS A 73 11.045 28.255 2.267 1.00 33.11 N ATOM 1174 CD2 HIS A 73 9.078 29.080 2.727 1.00 24.23 C ATOM 1175 CE1 HIS A 73 10.603 27.636 3.343 1.00 23.53 C ATOM 1176 NE2 HIS A 73 9.413 28.120 3.639 1.00 4.22 N ATOM 0 H HIS A 73 10.881 28.149 -0.811 1.00 20.21 H new ATOM 0 HA HIS A 73 8.450 29.596 -0.309 1.00 61.33 H new ATOM 0 HB2 HIS A 73 11.373 30.096 0.408 1.00 63.14 H new ATOM 0 HB3 HIS A 73 10.053 31.108 0.961 1.00 63.14 H new ATOM 0 HD2 HIS A 73 8.163 29.654 2.708 1.00 24.23 H new ATOM 0 HE1 HIS A 73 11.126 26.865 3.889 1.00 23.53 H new ATOM 0 HE2 HIS A 73 8.834 27.824 4.425 1.00 4.22 H new ATOM 1185 N HIS A 74 8.468 31.486 -1.946 1.00 71.21 N ATOM 1186 CA HIS A 74 8.439 32.675 -2.822 1.00 72.43 C ATOM 1187 C HIS A 74 8.899 33.921 -2.033 1.00 14.44 C ATOM 1188 O HIS A 74 8.705 33.996 -0.810 1.00 13.13 O ATOM 1189 CB HIS A 74 7.019 32.877 -3.430 1.00 51.43 C ATOM 1190 CG HIS A 74 5.914 33.016 -2.415 1.00 20.41 C ATOM 1191 ND1 HIS A 74 5.158 31.946 -1.996 1.00 21.45 N ATOM 1192 CD2 HIS A 74 5.443 34.094 -1.739 1.00 32.53 C ATOM 1193 CE1 HIS A 74 4.274 32.354 -1.117 1.00 63.33 C ATOM 1194 NE2 HIS A 74 4.427 33.651 -0.943 1.00 3.54 N ATOM 0 H HIS A 74 7.551 31.211 -1.594 1.00 71.21 H new ATOM 0 HA HIS A 74 9.130 32.522 -3.651 1.00 72.43 H new ATOM 0 HB2 HIS A 74 7.031 33.768 -4.058 1.00 51.43 H new ATOM 0 HB3 HIS A 74 6.793 32.031 -4.080 1.00 51.43 H new ATOM 0 HD2 HIS A 74 5.803 35.109 -1.816 1.00 32.53 H new ATOM 0 HE1 HIS A 74 3.544 31.732 -0.620 1.00 63.33 H new ATOM 0 HE2 HIS A 74 3.874 34.232 -0.313 1.00 3.54 H new ATOM 1203 N HIS A 75 9.511 34.890 -2.738 1.00 22.20 N ATOM 1204 CA HIS A 75 9.978 36.153 -2.125 1.00 62.44 C ATOM 1205 C HIS A 75 8.789 37.081 -1.800 1.00 62.33 C ATOM 1206 O HIS A 75 7.645 36.821 -2.202 1.00 43.50 O ATOM 1207 CB HIS A 75 10.990 36.888 -3.054 1.00 2.20 C ATOM 1208 CG HIS A 75 10.377 37.572 -4.254 1.00 51.11 C ATOM 1209 ND1 HIS A 75 10.276 38.945 -4.352 1.00 21.15 N ATOM 1210 CD2 HIS A 75 9.837 37.079 -5.396 1.00 72.33 C ATOM 1211 CE1 HIS A 75 9.706 39.259 -5.491 1.00 20.32 C ATOM 1212 NE2 HIS A 75 9.432 38.147 -6.142 1.00 20.02 N ATOM 0 H HIS A 75 9.696 34.824 -3.739 1.00 22.20 H new ATOM 0 HA HIS A 75 10.486 35.898 -1.195 1.00 62.44 H new ATOM 0 HB2 HIS A 75 11.526 37.632 -2.465 1.00 2.20 H new ATOM 0 HB3 HIS A 75 11.728 36.167 -3.404 1.00 2.20 H new ATOM 0 HD2 HIS A 75 9.745 36.037 -5.664 1.00 72.33 H new ATOM 0 HE1 HIS A 75 9.497 40.260 -5.837 1.00 20.32 H new ATOM 0 HE2 HIS A 75 8.988 38.093 -7.058 1.00 20.02 H new ATOM 1221 N HIS A 76 9.072 38.164 -1.067 1.00 14.53 N ATOM 1222 CA HIS A 76 8.096 39.217 -0.751 1.00 41.42 C ATOM 1223 C HIS A 76 8.710 40.580 -1.082 1.00 73.14 C ATOM 1224 O HIS A 76 9.636 41.033 -0.398 1.00 15.22 O ATOM 1225 CB HIS A 76 7.656 39.151 0.740 1.00 33.21 C ATOM 1226 CG HIS A 76 6.823 37.939 1.093 1.00 51.01 C ATOM 1227 ND1 HIS A 76 5.455 37.993 1.256 1.00 4.14 N ATOM 1228 CD2 HIS A 76 7.170 36.646 1.321 1.00 64.40 C ATOM 1229 CE1 HIS A 76 5.002 36.797 1.571 1.00 4.53 C ATOM 1230 NE2 HIS A 76 6.022 35.960 1.616 1.00 14.23 N ATOM 0 H HIS A 76 9.996 38.337 -0.671 1.00 14.53 H new ATOM 0 HA HIS A 76 7.201 39.066 -1.354 1.00 41.42 H new ATOM 0 HB2 HIS A 76 8.546 39.161 1.369 1.00 33.21 H new ATOM 0 HB3 HIS A 76 7.087 40.050 0.978 1.00 33.21 H new ATOM 0 HD2 HIS A 76 8.168 36.234 1.278 1.00 64.40 H new ATOM 0 HE1 HIS A 76 3.969 36.544 1.761 1.00 4.53 H new ATOM 0 HE2 HIS A 76 5.964 34.965 1.835 1.00 14.23 H new ATOM 1239 N HIS A 77 8.228 41.191 -2.177 1.00 63.32 N ATOM 1240 CA HIS A 77 8.575 42.565 -2.560 1.00 61.54 C ATOM 1241 C HIS A 77 7.981 43.546 -1.516 1.00 73.20 C ATOM 1242 O HIS A 77 6.741 43.709 -1.480 1.00 74.11 O ATOM 1243 CB HIS A 77 8.069 42.868 -4.001 1.00 50.34 C ATOM 1244 CG HIS A 77 8.317 44.283 -4.484 1.00 52.14 C ATOM 1245 ND1 HIS A 77 9.455 44.662 -5.167 1.00 1.30 N ATOM 1246 CD2 HIS A 77 7.546 45.400 -4.411 1.00 43.53 C ATOM 1247 CE1 HIS A 77 9.369 45.938 -5.490 1.00 71.52 C ATOM 1248 NE2 HIS A 77 8.223 46.405 -5.043 1.00 20.12 N ATOM 1249 OXT HIS A 77 8.750 44.121 -0.721 1.00 37.98 O ATOM 0 H HIS A 77 7.582 40.740 -2.825 1.00 63.32 H new ATOM 0 HA HIS A 77 9.658 42.690 -2.570 1.00 61.54 H new ATOM 0 HB2 HIS A 77 8.550 42.175 -4.692 1.00 50.34 H new ATOM 0 HB3 HIS A 77 6.998 42.668 -4.043 1.00 50.34 H new ATOM 0 HD2 HIS A 77 6.577 45.479 -3.940 1.00 43.53 H new ATOM 0 HE1 HIS A 77 10.114 46.504 -6.030 1.00 71.52 H new ATOM 0 HE2 HIS A 77 7.893 47.364 -5.151 1.00 20.12 H new TER 1258 HIS A 77