USER MOD reduce.3.24.130724 H: found=0, std=0, add=634, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 630 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 57 ASN : amide:sc= 0.694 K(o=1.1,f=-0.19) USER MOD Set 1.2: A 62 TYR OH : rot -113:sc= 0.42 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 5 LYS NZ :NH3+ 166:sc= -0.0128 (180deg=-0.199) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0.0064 USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=-0.42) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 ASN : amide:sc= 0.508 K(o=0.51,f=-6!) USER MOD Single : A 20 HIS : no HD1:sc= -0.0815 X(o=-0.081,f=-0.052) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 33 HIS : no HD1:sc= -0.613 K(o=-0.61,f=-1.5) USER MOD Single : A 35 HIS : no HD1:sc= 0 X(o=0,f=-0.0032) USER MOD Single : A 37 LYS NZ :NH3+ 176:sc= 0.931 (180deg=0.808) USER MOD Single : A 38 LYS NZ :NH3+ 151:sc= -0.436! (180deg=-0.494!) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ -111:sc= 0.882 (180deg=-0.366) USER MOD Single : A 52 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0334) USER MOD Single : A 53 GLN : amide:sc= -2.15! K(o=-2.1!,f=-1.1) USER MOD Single : A 55 HIS : no HD1:sc= 0.691 K(o=0.69,f=-5.2!) USER MOD Single : A 64 ASN : amide:sc= -0.0558 X(o=-0.056,f=-0.34) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ 167:sc=-0.00831 (180deg=-0.144) USER MOD Single : A 73 LYS NZ :NH3+ -171:sc= 0.845 (180deg=0.669) USER MOD Single : A 77 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -40.038 14.861 -19.322 1.00 0.00 N ATOM 2 CA GLY A 1 -38.806 15.676 -19.352 1.00 0.00 C ATOM 3 C GLY A 1 -37.837 15.193 -20.400 1.00 0.00 C ATOM 4 O GLY A 1 -37.272 14.106 -20.266 1.00 0.00 O ATOM 0 H1 GLY A 1 -40.678 15.226 -18.588 1.00 0.00 H new ATOM 0 H2 GLY A 1 -40.509 14.910 -20.248 1.00 0.00 H new ATOM 0 H3 GLY A 1 -39.795 13.872 -19.109 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -39.064 16.717 -19.549 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -38.327 15.646 -18.373 1.00 0.00 H new ATOM 10 N SER A 2 -37.644 16.003 -21.443 1.00 0.00 N ATOM 11 CA SER A 2 -36.751 15.672 -22.553 1.00 0.00 C ATOM 12 C SER A 2 -37.237 14.423 -23.301 1.00 0.00 C ATOM 13 O SER A 2 -36.785 13.304 -23.033 1.00 0.00 O ATOM 14 CB SER A 2 -35.305 15.480 -22.060 1.00 0.00 C ATOM 15 OG SER A 2 -34.849 16.623 -21.339 1.00 0.00 O ATOM 0 H SER A 2 -38.104 16.908 -21.541 1.00 0.00 H new ATOM 0 HA SER A 2 -36.765 16.510 -23.250 1.00 0.00 H new ATOM 0 HB2 SER A 2 -35.250 14.598 -21.421 1.00 0.00 H new ATOM 0 HB3 SER A 2 -34.649 15.298 -22.911 1.00 0.00 H new ATOM 0 HG SER A 2 -33.929 16.473 -21.036 1.00 0.00 H new ATOM 21 N VAL A 3 -38.176 14.616 -24.219 1.00 0.00 N ATOM 22 CA VAL A 3 -38.715 13.508 -24.995 1.00 0.00 C ATOM 23 C VAL A 3 -37.858 13.242 -26.227 1.00 0.00 C ATOM 24 O VAL A 3 -37.831 12.123 -26.751 1.00 0.00 O ATOM 25 CB VAL A 3 -40.189 13.740 -25.417 1.00 0.00 C ATOM 26 CG1 VAL A 3 -41.077 13.882 -24.193 1.00 0.00 C ATOM 27 CG2 VAL A 3 -40.320 14.960 -26.318 1.00 0.00 C ATOM 0 H VAL A 3 -38.578 15.526 -24.443 1.00 0.00 H new ATOM 0 HA VAL A 3 -38.693 12.634 -24.345 1.00 0.00 H new ATOM 0 HB VAL A 3 -40.516 12.869 -25.985 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -42.108 14.044 -24.508 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -41.019 12.973 -23.594 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -40.742 14.731 -23.597 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -41.365 15.096 -26.597 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -39.968 15.844 -25.787 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -39.721 14.815 -27.217 1.00 0.00 H new ATOM 37 N GLU A 4 -37.161 14.275 -26.683 1.00 0.00 N ATOM 38 CA GLU A 4 -36.259 14.148 -27.815 1.00 0.00 C ATOM 39 C GLU A 4 -34.965 13.505 -27.346 1.00 0.00 C ATOM 40 O GLU A 4 -34.736 12.316 -27.568 1.00 0.00 O ATOM 41 CB GLU A 4 -35.974 15.522 -28.436 1.00 0.00 C ATOM 42 CG GLU A 4 -37.215 16.243 -28.931 1.00 0.00 C ATOM 43 CD GLU A 4 -36.940 17.684 -29.300 1.00 0.00 C ATOM 44 OE1 GLU A 4 -36.517 17.943 -30.437 1.00 0.00 O ATOM 45 OE2 GLU A 4 -37.165 18.574 -28.450 1.00 0.00 O1- ATOM 0 H GLU A 4 -37.205 15.212 -26.283 1.00 0.00 H new ATOM 0 HA GLU A 4 -36.724 13.523 -28.578 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -35.473 16.147 -27.697 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -35.282 15.397 -29.269 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -37.614 15.719 -29.800 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -37.983 16.210 -28.158 1.00 0.00 H new ATOM 52 N LYS A 5 -34.134 14.307 -26.675 1.00 0.00 N ATOM 53 CA LYS A 5 -32.870 13.854 -26.089 1.00 0.00 C ATOM 54 C LYS A 5 -31.977 13.144 -27.127 1.00 0.00 C ATOM 55 O LYS A 5 -31.156 12.296 -26.775 1.00 0.00 O ATOM 56 CB LYS A 5 -33.154 12.927 -24.893 1.00 0.00 C ATOM 57 CG LYS A 5 -32.010 12.827 -23.892 1.00 0.00 C ATOM 58 CD LYS A 5 -32.323 11.828 -22.791 1.00 0.00 C ATOM 59 CE LYS A 5 -31.292 11.885 -21.671 1.00 0.00 C ATOM 60 NZ LYS A 5 -31.376 13.156 -20.906 1.00 0.00 N1+ ATOM 0 H LYS A 5 -34.322 15.298 -26.522 1.00 0.00 H new ATOM 0 HA LYS A 5 -32.324 14.732 -25.744 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -34.044 13.284 -24.375 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -33.382 11.929 -25.268 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -31.098 12.528 -24.408 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -31.821 13.807 -23.454 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -33.314 12.032 -22.385 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -32.351 10.822 -23.209 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -31.443 11.043 -20.995 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -30.292 11.780 -22.092 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -30.836 13.065 -20.022 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -30.980 13.931 -21.476 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -32.371 13.363 -20.685 1.00 0.00 H new ATOM 74 N LEU A 6 -32.116 13.519 -28.395 1.00 0.00 N ATOM 75 CA LEU A 6 -31.328 12.902 -29.458 1.00 0.00 C ATOM 76 C LEU A 6 -29.873 13.316 -29.353 1.00 0.00 C ATOM 77 O LEU A 6 -28.976 12.560 -29.712 1.00 0.00 O ATOM 78 CB LEU A 6 -31.884 13.249 -30.843 1.00 0.00 C ATOM 79 CG LEU A 6 -33.301 12.748 -31.138 1.00 0.00 C ATOM 80 CD1 LEU A 6 -33.682 13.053 -32.575 1.00 0.00 C ATOM 81 CD2 LEU A 6 -33.415 11.255 -30.862 1.00 0.00 C ATOM 0 H LEU A 6 -32.762 14.242 -28.711 1.00 0.00 H new ATOM 0 HA LEU A 6 -31.395 11.821 -29.333 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -31.871 14.333 -30.958 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -31.211 12.841 -31.597 1.00 0.00 H new ATOM 0 HG LEU A 6 -33.993 13.270 -30.477 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -34.692 12.691 -32.768 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -33.645 14.130 -32.741 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -32.983 12.558 -33.250 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -34.430 10.921 -31.078 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -32.712 10.713 -31.495 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -33.185 11.060 -29.815 1.00 0.00 H new ATOM 93 N THR A 7 -29.644 14.516 -28.864 1.00 0.00 N ATOM 94 CA THR A 7 -28.299 14.996 -28.646 1.00 0.00 C ATOM 95 C THR A 7 -27.795 14.512 -27.290 1.00 0.00 C ATOM 96 O THR A 7 -26.593 14.363 -27.074 1.00 0.00 O ATOM 97 CB THR A 7 -28.250 16.529 -28.697 1.00 0.00 C ATOM 98 OG1 THR A 7 -29.267 17.061 -27.844 1.00 0.00 O ATOM 99 CG2 THR A 7 -28.464 17.031 -30.118 1.00 0.00 C ATOM 0 H THR A 7 -30.376 15.179 -28.609 1.00 0.00 H new ATOM 0 HA THR A 7 -27.660 14.604 -29.437 1.00 0.00 H new ATOM 0 HB THR A 7 -27.268 16.859 -28.359 1.00 0.00 H new ATOM 0 HG1 THR A 7 -29.238 18.040 -27.872 1.00 0.00 H new ATOM 0 HG21 THR A 7 -28.425 18.120 -30.129 1.00 0.00 H new ATOM 0 HG22 THR A 7 -27.683 16.633 -30.766 1.00 0.00 H new ATOM 0 HG23 THR A 7 -29.438 16.699 -30.478 1.00 0.00 H new ATOM 107 N ALA A 8 -28.748 14.293 -26.371 1.00 0.00 N ATOM 108 CA ALA A 8 -28.473 13.777 -25.007 1.00 0.00 C ATOM 109 C ALA A 8 -27.730 14.789 -24.134 1.00 0.00 C ATOM 110 O ALA A 8 -27.621 14.600 -22.922 1.00 0.00 O ATOM 111 CB ALA A 8 -27.710 12.454 -25.066 1.00 0.00 C ATOM 0 H ALA A 8 -29.737 14.467 -26.547 1.00 0.00 H new ATOM 0 HA ALA A 8 -29.442 13.603 -24.539 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -27.521 12.097 -24.053 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -28.303 11.716 -25.606 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -26.761 12.604 -25.581 1.00 0.00 H new ATOM 117 N ASP A 9 -27.208 15.850 -24.762 1.00 0.00 N ATOM 118 CA ASP A 9 -26.459 16.938 -24.067 1.00 0.00 C ATOM 119 C ASP A 9 -25.088 16.474 -23.576 1.00 0.00 C ATOM 120 O ASP A 9 -24.167 17.281 -23.429 1.00 0.00 O ATOM 121 CB ASP A 9 -27.266 17.527 -22.899 1.00 0.00 C ATOM 122 CG ASP A 9 -28.534 18.211 -23.349 1.00 0.00 C ATOM 123 OD1 ASP A 9 -29.627 17.794 -22.911 1.00 0.00 O ATOM 124 OD2 ASP A 9 -28.452 19.168 -24.143 1.00 0.00 O1- ATOM 0 H ASP A 9 -27.286 15.991 -25.769 1.00 0.00 H new ATOM 0 HA ASP A 9 -26.302 17.721 -24.809 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -27.517 16.730 -22.199 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -26.645 18.242 -22.359 1.00 0.00 H new ATOM 129 N ALA A 10 -24.947 15.175 -23.346 1.00 0.00 N ATOM 130 CA ALA A 10 -23.690 14.606 -22.861 1.00 0.00 C ATOM 131 C ALA A 10 -22.569 14.788 -23.879 1.00 0.00 C ATOM 132 O ALA A 10 -21.395 14.831 -23.515 1.00 0.00 O ATOM 133 CB ALA A 10 -23.854 13.127 -22.493 1.00 0.00 C ATOM 0 H ALA A 10 -25.690 14.490 -23.487 1.00 0.00 H new ATOM 0 HA ALA A 10 -23.414 15.150 -21.957 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -22.902 12.733 -22.136 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -24.605 13.028 -21.709 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -24.172 12.566 -23.372 1.00 0.00 H new ATOM 139 N GLU A 11 -22.935 14.914 -25.155 1.00 0.00 N ATOM 140 CA GLU A 11 -21.950 15.116 -26.210 1.00 0.00 C ATOM 141 C GLU A 11 -21.228 16.451 -26.034 1.00 0.00 C ATOM 142 O GLU A 11 -20.062 16.591 -26.412 1.00 0.00 O ATOM 143 CB GLU A 11 -22.594 15.016 -27.598 1.00 0.00 C ATOM 144 CG GLU A 11 -23.807 15.909 -27.802 1.00 0.00 C ATOM 145 CD GLU A 11 -24.362 15.802 -29.205 1.00 0.00 C ATOM 146 OE1 GLU A 11 -24.963 14.759 -29.535 1.00 0.00 O ATOM 147 OE2 GLU A 11 -24.190 16.756 -29.987 1.00 0.00 O1- ATOM 0 H GLU A 11 -23.902 14.880 -25.479 1.00 0.00 H new ATOM 0 HA GLU A 11 -21.209 14.320 -26.131 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -21.845 15.266 -28.350 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -22.888 13.981 -27.773 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -24.581 15.638 -27.084 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -23.533 16.944 -27.599 1.00 0.00 H new ATOM 154 N LEU A 12 -21.917 17.420 -25.441 1.00 0.00 N ATOM 155 CA LEU A 12 -21.311 18.719 -25.160 1.00 0.00 C ATOM 156 C LEU A 12 -20.368 18.579 -23.980 1.00 0.00 C ATOM 157 O LEU A 12 -19.272 19.135 -23.972 1.00 0.00 O ATOM 158 CB LEU A 12 -22.380 19.783 -24.853 1.00 0.00 C ATOM 159 CG LEU A 12 -21.853 21.206 -24.633 1.00 0.00 C ATOM 160 CD1 LEU A 12 -21.208 21.749 -25.900 1.00 0.00 C ATOM 161 CD2 LEU A 12 -22.971 22.122 -24.165 1.00 0.00 C ATOM 0 H LEU A 12 -22.890 17.333 -25.147 1.00 0.00 H new ATOM 0 HA LEU A 12 -20.762 19.046 -26.043 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -23.095 19.802 -25.676 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -22.928 19.476 -23.962 1.00 0.00 H new ATOM 0 HG LEU A 12 -21.090 21.169 -23.856 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -20.842 22.760 -25.718 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -20.375 21.108 -26.188 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -21.944 21.769 -26.703 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -22.578 23.128 -24.014 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -23.758 22.149 -24.918 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -23.379 21.747 -23.226 1.00 0.00 H new ATOM 173 N GLN A 13 -20.806 17.808 -22.989 1.00 0.00 N ATOM 174 CA GLN A 13 -19.998 17.539 -21.797 1.00 0.00 C ATOM 175 C GLN A 13 -18.709 16.829 -22.190 1.00 0.00 C ATOM 176 O GLN A 13 -17.628 17.165 -21.708 1.00 0.00 O ATOM 177 CB GLN A 13 -20.777 16.682 -20.787 1.00 0.00 C ATOM 178 CG GLN A 13 -19.982 16.331 -19.539 1.00 0.00 C ATOM 179 CD GLN A 13 -20.697 15.330 -18.659 1.00 0.00 C ATOM 180 OE1 GLN A 13 -21.927 15.287 -18.615 1.00 0.00 O ATOM 181 NE2 GLN A 13 -19.935 14.511 -17.966 1.00 0.00 N ATOM 0 H GLN A 13 -21.720 17.355 -22.985 1.00 0.00 H new ATOM 0 HA GLN A 13 -19.757 18.492 -21.327 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -21.681 17.215 -20.493 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -21.095 15.761 -21.275 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -19.013 15.926 -19.831 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -19.789 17.239 -18.968 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -18.920 14.581 -18.032 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -20.360 13.806 -17.363 1.00 0.00 H new ATOM 190 N ARG A 14 -18.833 15.845 -23.072 1.00 0.00 N ATOM 191 CA ARG A 14 -17.676 15.112 -23.553 1.00 0.00 C ATOM 192 C ARG A 14 -16.765 16.024 -24.348 1.00 0.00 C ATOM 193 O ARG A 14 -15.559 16.032 -24.137 1.00 0.00 O ATOM 194 CB ARG A 14 -18.087 13.911 -24.408 1.00 0.00 C ATOM 195 CG ARG A 14 -18.894 12.861 -23.662 1.00 0.00 C ATOM 196 CD ARG A 14 -19.082 11.614 -24.510 1.00 0.00 C ATOM 197 NE ARG A 14 -17.802 10.952 -24.789 1.00 0.00 N ATOM 198 CZ ARG A 14 -17.491 10.354 -25.944 1.00 0.00 C ATOM 199 NH1 ARG A 14 -18.365 10.340 -26.949 1.00 0.00 N1+ ATOM 200 NH2 ARG A 14 -16.302 9.770 -26.090 1.00 0.00 N ATOM 0 H ARG A 14 -19.723 15.539 -23.466 1.00 0.00 H new ATOM 0 HA ARG A 14 -17.138 14.738 -22.681 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -18.671 14.267 -25.257 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -17.189 13.443 -24.813 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -18.387 12.600 -22.733 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -19.867 13.270 -23.390 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -19.747 10.920 -23.995 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -19.566 11.882 -25.449 1.00 0.00 H new ATOM 0 HE ARG A 14 -17.100 10.948 -24.049 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -19.275 10.787 -26.839 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -18.124 9.883 -27.828 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -15.631 9.780 -25.322 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -16.063 9.313 -26.970 1.00 0.00 H new ATOM 214 N LEU A 15 -17.358 16.818 -25.245 1.00 0.00 N ATOM 215 CA LEU A 15 -16.588 17.748 -26.089 1.00 0.00 C ATOM 216 C LEU A 15 -15.798 18.735 -25.232 1.00 0.00 C ATOM 217 O LEU A 15 -14.701 19.163 -25.609 1.00 0.00 O ATOM 218 CB LEU A 15 -17.501 18.501 -27.083 1.00 0.00 C ATOM 219 CG LEU A 15 -16.797 19.492 -28.011 1.00 0.00 C ATOM 220 CD1 LEU A 15 -15.790 18.776 -28.899 1.00 0.00 C ATOM 221 CD2 LEU A 15 -17.815 20.244 -28.851 1.00 0.00 C ATOM 0 H LEU A 15 -18.365 16.838 -25.408 1.00 0.00 H new ATOM 0 HA LEU A 15 -15.883 17.154 -26.670 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -18.024 17.766 -27.696 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -18.259 19.040 -26.515 1.00 0.00 H new ATOM 0 HG LEU A 15 -16.255 20.213 -27.399 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -15.301 19.500 -29.551 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -15.042 18.284 -28.277 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -16.305 18.031 -29.506 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -17.299 20.946 -29.506 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -18.384 19.536 -29.454 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -18.494 20.791 -28.197 1.00 0.00 H new ATOM 233 N LYS A 16 -16.350 19.075 -24.072 1.00 0.00 N ATOM 234 CA LYS A 16 -15.689 19.967 -23.144 1.00 0.00 C ATOM 235 C LYS A 16 -14.364 19.354 -22.706 1.00 0.00 C ATOM 236 O LYS A 16 -13.331 20.017 -22.700 1.00 0.00 O ATOM 237 CB LYS A 16 -16.592 20.216 -21.930 1.00 0.00 C ATOM 238 CG LYS A 16 -16.018 21.175 -20.901 1.00 0.00 C ATOM 239 CD LYS A 16 -16.941 21.305 -19.701 1.00 0.00 C ATOM 240 CE LYS A 16 -16.379 22.261 -18.663 1.00 0.00 C ATOM 241 NZ LYS A 16 -17.248 22.344 -17.463 1.00 0.00 N1+ ATOM 0 H LYS A 16 -17.260 18.740 -23.756 1.00 0.00 H new ATOM 0 HA LYS A 16 -15.492 20.922 -23.632 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -17.548 20.607 -22.279 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -16.796 19.262 -21.444 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -15.040 20.821 -20.575 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -15.867 22.154 -21.356 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -17.918 21.658 -20.030 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -17.092 20.324 -19.249 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -15.382 21.933 -18.368 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -16.271 23.252 -19.103 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -16.831 23.006 -16.778 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -18.192 22.682 -17.740 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -17.331 21.403 -17.029 1.00 0.00 H new ATOM 255 N ASN A 17 -14.402 18.068 -22.382 1.00 0.00 N ATOM 256 CA ASN A 17 -13.210 17.348 -21.950 1.00 0.00 C ATOM 257 C ASN A 17 -12.273 17.087 -23.132 1.00 0.00 C ATOM 258 O ASN A 17 -11.049 17.110 -22.979 1.00 0.00 O ATOM 259 CB ASN A 17 -13.579 16.017 -21.265 1.00 0.00 C ATOM 260 CG ASN A 17 -14.434 16.191 -20.023 1.00 0.00 C ATOM 261 OD1 ASN A 17 -14.337 17.192 -19.311 1.00 0.00 O ATOM 262 ND2 ASN A 17 -15.274 15.210 -19.755 1.00 0.00 N ATOM 0 H ASN A 17 -15.249 17.500 -22.410 1.00 0.00 H new ATOM 0 HA ASN A 17 -12.693 17.976 -21.224 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -14.111 15.386 -21.977 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -12.664 15.491 -20.995 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -15.874 15.263 -18.932 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -15.323 14.398 -20.371 1.00 0.00 H new ATOM 269 N GLU A 18 -12.858 16.869 -24.319 1.00 0.00 N ATOM 270 CA GLU A 18 -12.087 16.595 -25.543 1.00 0.00 C ATOM 271 C GLU A 18 -11.189 17.776 -25.882 1.00 0.00 C ATOM 272 O GLU A 18 -10.054 17.611 -26.336 1.00 0.00 O ATOM 273 CB GLU A 18 -13.039 16.353 -26.724 1.00 0.00 C ATOM 274 CG GLU A 18 -14.000 15.188 -26.547 1.00 0.00 C ATOM 275 CD GLU A 18 -13.361 13.849 -26.798 1.00 0.00 C ATOM 276 OE1 GLU A 18 -13.277 13.443 -27.977 1.00 0.00 O ATOM 277 OE2 GLU A 18 -12.959 13.184 -25.826 1.00 0.00 O1- ATOM 0 H GLU A 18 -13.868 16.877 -24.458 1.00 0.00 H new ATOM 0 HA GLU A 18 -11.477 15.709 -25.367 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -13.619 17.260 -26.895 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -12.444 16.181 -27.621 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -14.402 15.207 -25.534 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -14.843 15.314 -27.227 1.00 0.00 H new ATOM 284 N ARG A 19 -11.705 18.964 -25.647 1.00 0.00 N ATOM 285 CA ARG A 19 -10.996 20.189 -25.976 1.00 0.00 C ATOM 286 C ARG A 19 -10.114 20.648 -24.806 1.00 0.00 C ATOM 287 O ARG A 19 -9.397 21.636 -24.905 1.00 0.00 O ATOM 288 CB ARG A 19 -12.003 21.278 -26.375 1.00 0.00 C ATOM 289 CG ARG A 19 -11.392 22.521 -26.998 1.00 0.00 C ATOM 290 CD ARG A 19 -12.479 23.454 -27.499 1.00 0.00 C ATOM 291 NE ARG A 19 -13.443 23.774 -26.445 1.00 0.00 N ATOM 292 CZ ARG A 19 -14.772 23.647 -26.559 1.00 0.00 C ATOM 293 NH1 ARG A 19 -15.314 23.204 -27.690 1.00 0.00 N1+ ATOM 294 NH2 ARG A 19 -15.557 23.956 -25.535 1.00 0.00 N ATOM 0 H ARG A 19 -12.622 19.111 -25.225 1.00 0.00 H new ATOM 0 HA ARG A 19 -10.335 19.998 -26.822 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -12.717 20.851 -27.079 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -12.566 21.573 -25.489 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -10.773 23.036 -26.264 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -10.739 22.238 -27.823 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -12.027 24.374 -27.871 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -12.998 22.992 -28.339 1.00 0.00 H new ATOM 0 HE ARG A 19 -13.076 24.119 -25.558 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -14.717 22.958 -28.479 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -16.327 23.110 -27.768 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -15.149 24.290 -24.662 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -16.569 23.860 -25.621 1.00 0.00 H new ATOM 308 N HIS A 20 -10.168 19.915 -23.702 1.00 0.00 N ATOM 309 CA HIS A 20 -9.351 20.246 -22.530 1.00 0.00 C ATOM 310 C HIS A 20 -8.152 19.317 -22.425 1.00 0.00 C ATOM 311 O HIS A 20 -7.037 19.770 -22.210 1.00 0.00 O ATOM 312 CB HIS A 20 -10.168 20.188 -21.234 1.00 0.00 C ATOM 313 CG HIS A 20 -11.139 21.319 -21.060 1.00 0.00 C ATOM 314 ND1 HIS A 20 -12.054 21.365 -20.033 1.00 0.00 N ATOM 315 CD2 HIS A 20 -11.329 22.453 -21.777 1.00 0.00 C ATOM 316 CE1 HIS A 20 -12.762 22.473 -20.126 1.00 0.00 C ATOM 317 NE2 HIS A 20 -12.343 23.151 -21.173 1.00 0.00 N ATOM 0 H HIS A 20 -10.762 19.093 -23.588 1.00 0.00 H new ATOM 0 HA HIS A 20 -8.999 21.269 -22.665 1.00 0.00 H new ATOM 0 HB2 HIS A 20 -10.717 19.247 -21.207 1.00 0.00 H new ATOM 0 HB3 HIS A 20 -9.482 20.181 -20.387 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -10.783 22.752 -22.660 1.00 0.00 H new ATOM 0 HE1 HIS A 20 -13.553 22.774 -19.455 1.00 0.00 H new ATOM 0 HE2 HIS A 20 -12.712 24.049 -21.485 1.00 0.00 H new ATOM 325 N GLU A 21 -8.408 18.007 -22.565 1.00 0.00 N ATOM 326 CA GLU A 21 -7.358 16.944 -22.517 1.00 0.00 C ATOM 327 C GLU A 21 -6.697 16.818 -21.134 1.00 0.00 C ATOM 328 O GLU A 21 -6.788 15.770 -20.490 1.00 0.00 O ATOM 329 CB GLU A 21 -6.289 17.198 -23.581 1.00 0.00 C ATOM 330 CG GLU A 21 -6.829 17.217 -24.995 1.00 0.00 C ATOM 331 CD GLU A 21 -5.792 17.639 -25.999 1.00 0.00 C ATOM 332 OE1 GLU A 21 -5.060 16.768 -26.508 1.00 0.00 O ATOM 333 OE2 GLU A 21 -5.713 18.847 -26.292 1.00 0.00 O1- ATOM 0 H GLU A 21 -9.348 17.641 -22.716 1.00 0.00 H new ATOM 0 HA GLU A 21 -7.864 16.000 -22.720 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -5.803 18.152 -23.374 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -5.523 16.427 -23.505 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -7.198 16.225 -25.253 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -7.679 17.897 -25.047 1.00 0.00 H new ATOM 340 N GLU A 22 -6.060 17.887 -20.668 1.00 0.00 N ATOM 341 CA GLU A 22 -5.382 17.869 -19.374 1.00 0.00 C ATOM 342 C GLU A 22 -6.392 17.801 -18.243 1.00 0.00 C ATOM 343 O GLU A 22 -6.110 17.257 -17.175 1.00 0.00 O ATOM 344 CB GLU A 22 -4.461 19.094 -19.187 1.00 0.00 C ATOM 345 CG GLU A 22 -3.278 19.161 -20.149 1.00 0.00 C ATOM 346 CD GLU A 22 -3.680 19.516 -21.562 1.00 0.00 C ATOM 347 OE1 GLU A 22 -4.125 20.659 -21.790 1.00 0.00 O ATOM 348 OE2 GLU A 22 -3.546 18.660 -22.450 1.00 0.00 O1- ATOM 0 H GLU A 22 -5.998 18.776 -21.165 1.00 0.00 H new ATOM 0 HA GLU A 22 -4.757 16.976 -19.351 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -5.057 19.999 -19.303 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -4.080 19.092 -18.166 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -2.563 19.899 -19.785 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -2.767 18.198 -20.154 1.00 0.00 H new ATOM 355 N ALA A 23 -7.584 18.330 -18.493 1.00 0.00 N ATOM 356 CA ALA A 23 -8.635 18.331 -17.484 1.00 0.00 C ATOM 357 C ALA A 23 -9.133 16.920 -17.219 1.00 0.00 C ATOM 358 O ALA A 23 -9.614 16.628 -16.142 1.00 0.00 O ATOM 359 CB ALA A 23 -9.794 19.248 -17.877 1.00 0.00 C ATOM 0 H ALA A 23 -7.845 18.761 -19.380 1.00 0.00 H new ATOM 0 HA ALA A 23 -8.202 18.722 -16.563 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -10.558 19.222 -17.100 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -9.428 20.268 -17.992 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -10.223 18.908 -18.819 1.00 0.00 H new ATOM 365 N GLU A 24 -8.982 16.036 -18.201 1.00 0.00 N ATOM 366 CA GLU A 24 -9.424 14.653 -18.055 1.00 0.00 C ATOM 367 C GLU A 24 -8.584 13.944 -17.003 1.00 0.00 C ATOM 368 O GLU A 24 -9.096 13.171 -16.192 1.00 0.00 O ATOM 369 CB GLU A 24 -9.322 13.920 -19.388 1.00 0.00 C ATOM 370 CG GLU A 24 -10.035 14.628 -20.524 1.00 0.00 C ATOM 371 CD GLU A 24 -9.970 13.858 -21.819 1.00 0.00 C ATOM 372 OE1 GLU A 24 -8.859 13.706 -22.372 1.00 0.00 O ATOM 373 OE2 GLU A 24 -11.029 13.398 -22.293 1.00 0.00 O1- ATOM 0 H GLU A 24 -8.558 16.252 -19.103 1.00 0.00 H new ATOM 0 HA GLU A 24 -10.466 14.652 -17.735 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -8.270 13.800 -19.648 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -9.739 12.919 -19.276 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -11.079 14.785 -20.251 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -9.591 15.613 -20.669 1.00 0.00 H new ATOM 380 N LEU A 25 -7.292 14.237 -17.007 1.00 0.00 N ATOM 381 CA LEU A 25 -6.367 13.657 -16.045 1.00 0.00 C ATOM 382 C LEU A 25 -6.604 14.274 -14.672 1.00 0.00 C ATOM 383 O LEU A 25 -6.250 13.703 -13.645 1.00 0.00 O ATOM 384 CB LEU A 25 -4.923 13.913 -16.490 1.00 0.00 C ATOM 385 CG LEU A 25 -4.591 13.518 -17.933 1.00 0.00 C ATOM 386 CD1 LEU A 25 -3.179 13.937 -18.287 1.00 0.00 C ATOM 387 CD2 LEU A 25 -4.766 12.022 -18.136 1.00 0.00 C ATOM 0 H LEU A 25 -6.858 14.878 -17.671 1.00 0.00 H new ATOM 0 HA LEU A 25 -6.534 12.581 -15.989 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -4.707 14.974 -16.364 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -4.255 13.370 -15.822 1.00 0.00 H new ATOM 0 HG LEU A 25 -5.284 14.037 -18.596 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -2.961 13.648 -19.315 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -3.084 15.018 -18.186 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -2.475 13.446 -17.615 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -4.525 11.764 -19.167 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -4.100 11.483 -17.462 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -5.799 11.744 -17.924 1.00 0.00 H new ATOM 399 N GLU A 26 -7.229 15.439 -14.678 1.00 0.00 N ATOM 400 CA GLU A 26 -7.518 16.179 -13.460 1.00 0.00 C ATOM 401 C GLU A 26 -8.837 15.721 -12.848 1.00 0.00 C ATOM 402 O GLU A 26 -8.942 15.547 -11.634 1.00 0.00 O ATOM 403 CB GLU A 26 -7.565 17.682 -13.758 1.00 0.00 C ATOM 404 CG GLU A 26 -7.884 18.550 -12.561 1.00 0.00 C ATOM 405 CD GLU A 26 -7.841 20.012 -12.909 1.00 0.00 C ATOM 406 OE1 GLU A 26 -8.873 20.554 -13.370 1.00 0.00 O ATOM 407 OE2 GLU A 26 -6.768 20.627 -12.747 1.00 0.00 O1- ATOM 0 H GLU A 26 -7.551 15.900 -15.529 1.00 0.00 H new ATOM 0 HA GLU A 26 -6.723 15.984 -12.741 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -6.602 17.989 -14.167 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -8.312 17.863 -14.531 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -8.873 18.295 -12.180 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -7.172 18.345 -11.762 1.00 0.00 H new ATOM 414 N ARG A 27 -9.837 15.510 -13.698 1.00 0.00 N ATOM 415 CA ARG A 27 -11.154 15.082 -13.243 1.00 0.00 C ATOM 416 C ARG A 27 -11.076 13.763 -12.495 1.00 0.00 C ATOM 417 O ARG A 27 -11.807 13.547 -11.544 1.00 0.00 O ATOM 418 CB ARG A 27 -12.139 14.973 -14.410 1.00 0.00 C ATOM 419 CG ARG A 27 -12.391 16.291 -15.127 1.00 0.00 C ATOM 420 CD ARG A 27 -13.534 16.176 -16.118 1.00 0.00 C ATOM 421 NE ARG A 27 -14.802 15.928 -15.440 1.00 0.00 N ATOM 422 CZ ARG A 27 -15.986 16.361 -15.865 1.00 0.00 C ATOM 423 NH1 ARG A 27 -16.087 17.053 -16.998 1.00 0.00 N1+ ATOM 424 NH2 ARG A 27 -17.074 16.096 -15.156 1.00 0.00 N ATOM 0 H ARG A 27 -9.759 15.629 -14.708 1.00 0.00 H new ATOM 0 HA ARG A 27 -11.522 15.845 -12.556 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -11.758 14.247 -15.128 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -13.087 14.586 -14.038 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -12.619 17.066 -14.396 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -11.486 16.601 -15.649 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -13.605 17.094 -16.702 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -13.330 15.367 -16.819 1.00 0.00 H new ATOM 0 HE ARG A 27 -14.779 15.383 -14.578 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -15.252 17.255 -17.548 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -16.999 17.381 -17.316 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -17.001 15.563 -14.290 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -17.985 16.425 -15.477 1.00 0.00 H new ATOM 438 N LEU A 28 -10.167 12.895 -12.911 1.00 0.00 N ATOM 439 CA LEU A 28 -9.999 11.599 -12.246 1.00 0.00 C ATOM 440 C LEU A 28 -9.496 11.788 -10.808 1.00 0.00 C ATOM 441 O LEU A 28 -9.745 10.956 -9.935 1.00 0.00 O ATOM 442 CB LEU A 28 -9.039 10.683 -13.034 1.00 0.00 C ATOM 443 CG LEU A 28 -8.853 9.269 -12.466 1.00 0.00 C ATOM 444 CD1 LEU A 28 -10.166 8.499 -12.494 1.00 0.00 C ATOM 445 CD2 LEU A 28 -7.778 8.522 -13.237 1.00 0.00 C ATOM 0 H LEU A 28 -9.537 13.056 -13.697 1.00 0.00 H new ATOM 0 HA LEU A 28 -10.975 11.116 -12.214 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -9.405 10.599 -14.057 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -8.063 11.166 -13.083 1.00 0.00 H new ATOM 0 HG LEU A 28 -8.533 9.358 -11.428 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -10.011 7.500 -12.087 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -10.909 9.024 -11.893 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -10.520 8.421 -13.522 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -7.660 7.522 -12.820 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -8.068 8.447 -14.285 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -6.834 9.061 -13.160 1.00 0.00 H new ATOM 457 N LYS A 29 -8.802 12.893 -10.566 1.00 0.00 N ATOM 458 CA LYS A 29 -8.273 13.187 -9.241 1.00 0.00 C ATOM 459 C LYS A 29 -9.320 13.925 -8.407 1.00 0.00 C ATOM 460 O LYS A 29 -9.362 13.797 -7.191 1.00 0.00 O ATOM 461 CB LYS A 29 -7.008 14.057 -9.341 1.00 0.00 C ATOM 462 CG LYS A 29 -5.992 13.587 -10.367 1.00 0.00 C ATOM 463 CD LYS A 29 -4.875 14.606 -10.516 1.00 0.00 C ATOM 464 CE LYS A 29 -3.896 14.224 -11.614 1.00 0.00 C ATOM 465 NZ LYS A 29 -2.807 15.223 -11.748 1.00 0.00 N1+ ATOM 0 H LYS A 29 -8.593 13.600 -11.270 1.00 0.00 H new ATOM 0 HA LYS A 29 -8.021 12.241 -8.762 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -7.304 15.077 -9.584 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -6.528 14.089 -8.363 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -5.577 12.626 -10.063 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -6.482 13.433 -11.328 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -5.304 15.584 -10.737 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -4.341 14.699 -9.570 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -3.468 13.246 -11.396 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -4.428 14.135 -12.561 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -2.158 14.930 -12.506 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -3.214 16.151 -11.980 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -2.284 15.289 -10.851 1.00 0.00 H new ATOM 479 N SER A 30 -10.168 14.686 -9.079 1.00 0.00 N ATOM 480 CA SER A 30 -11.160 15.509 -8.402 1.00 0.00 C ATOM 481 C SER A 30 -12.489 14.761 -8.190 1.00 0.00 C ATOM 482 O SER A 30 -13.175 14.968 -7.189 1.00 0.00 O ATOM 483 CB SER A 30 -11.381 16.826 -9.181 1.00 0.00 C ATOM 484 OG SER A 30 -12.295 17.682 -8.516 1.00 0.00 O ATOM 0 H SER A 30 -10.190 14.752 -10.097 1.00 0.00 H new ATOM 0 HA SER A 30 -10.773 15.746 -7.411 1.00 0.00 H new ATOM 0 HB2 SER A 30 -10.427 17.339 -9.306 1.00 0.00 H new ATOM 0 HB3 SER A 30 -11.755 16.600 -10.180 1.00 0.00 H new ATOM 0 HG SER A 30 -12.410 18.505 -9.035 1.00 0.00 H new ATOM 490 N GLU A 31 -12.829 13.873 -9.109 1.00 0.00 N ATOM 491 CA GLU A 31 -14.108 13.165 -9.050 1.00 0.00 C ATOM 492 C GLU A 31 -13.957 11.815 -8.339 1.00 0.00 C ATOM 493 O GLU A 31 -14.818 10.942 -8.441 1.00 0.00 O ATOM 494 CB GLU A 31 -14.680 12.991 -10.475 1.00 0.00 C ATOM 495 CG GLU A 31 -16.156 12.619 -10.531 1.00 0.00 C ATOM 496 CD GLU A 31 -16.746 12.809 -11.913 1.00 0.00 C ATOM 497 OE1 GLU A 31 -16.656 11.886 -12.742 1.00 0.00 O ATOM 498 OE2 GLU A 31 -17.299 13.896 -12.178 1.00 0.00 O1- ATOM 0 H GLU A 31 -12.243 13.622 -9.905 1.00 0.00 H new ATOM 0 HA GLU A 31 -14.812 13.760 -8.468 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -14.533 13.920 -11.026 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -14.106 12.221 -10.990 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -16.278 11.580 -10.226 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -16.709 13.228 -9.816 1.00 0.00 H new ATOM 505 N ARG A 32 -12.867 11.666 -7.591 1.00 0.00 N ATOM 506 CA ARG A 32 -12.618 10.435 -6.840 1.00 0.00 C ATOM 507 C ARG A 32 -13.468 10.396 -5.572 1.00 0.00 C ATOM 508 O ARG A 32 -13.509 9.390 -4.870 1.00 0.00 O ATOM 509 CB ARG A 32 -11.136 10.301 -6.473 1.00 0.00 C ATOM 510 CG ARG A 32 -10.604 11.450 -5.633 1.00 0.00 C ATOM 511 CD ARG A 32 -9.219 11.152 -5.077 1.00 0.00 C ATOM 512 NE ARG A 32 -8.271 10.759 -6.119 1.00 0.00 N ATOM 513 CZ ARG A 32 -6.973 11.066 -6.110 1.00 0.00 C ATOM 514 NH1 ARG A 32 -6.462 11.783 -5.113 1.00 0.00 N1+ ATOM 515 NH2 ARG A 32 -6.187 10.640 -7.090 1.00 0.00 N ATOM 0 H ARG A 32 -12.144 12.378 -7.488 1.00 0.00 H new ATOM 0 HA ARG A 32 -12.894 9.597 -7.480 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -10.989 9.368 -5.929 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -10.550 10.232 -7.389 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -10.565 12.355 -6.239 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -11.291 11.647 -4.810 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -8.841 12.034 -4.560 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -9.292 10.355 -4.337 1.00 0.00 H new ATOM 0 HE ARG A 32 -8.626 10.214 -6.905 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -7.063 12.100 -4.352 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -5.469 12.016 -5.109 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -6.576 10.079 -7.848 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -5.194 10.873 -7.085 1.00 0.00 H new ATOM 529 N HIS A 33 -14.130 11.503 -5.279 1.00 0.00 N ATOM 530 CA HIS A 33 -14.985 11.589 -4.108 1.00 0.00 C ATOM 531 C HIS A 33 -16.444 11.770 -4.548 1.00 0.00 C ATOM 532 O HIS A 33 -16.704 12.021 -5.731 1.00 0.00 O ATOM 533 CB HIS A 33 -14.561 12.759 -3.210 1.00 0.00 C ATOM 534 CG HIS A 33 -13.193 12.611 -2.616 1.00 0.00 C ATOM 535 ND1 HIS A 33 -12.084 13.259 -3.112 1.00 0.00 N ATOM 536 CD2 HIS A 33 -12.760 11.900 -1.549 1.00 0.00 C ATOM 537 CE1 HIS A 33 -11.031 12.953 -2.377 1.00 0.00 C ATOM 538 NE2 HIS A 33 -11.413 12.132 -1.423 1.00 0.00 N ATOM 0 H HIS A 33 -14.091 12.356 -5.837 1.00 0.00 H new ATOM 0 HA HIS A 33 -14.889 10.666 -3.537 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -14.595 13.680 -3.792 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -15.286 12.865 -2.403 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -13.363 11.267 -0.914 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -10.026 13.316 -2.533 1.00 0.00 H new ATOM 0 HE2 HIS A 33 -10.807 11.733 -0.706 1.00 0.00 H new ATOM 546 N ASP A 34 -17.396 11.680 -3.605 1.00 0.00 N ATOM 547 CA ASP A 34 -18.811 11.809 -3.948 1.00 0.00 C ATOM 548 C ASP A 34 -19.679 11.883 -2.703 1.00 0.00 C ATOM 549 O ASP A 34 -20.695 12.579 -2.684 1.00 0.00 O ATOM 550 CB ASP A 34 -19.274 10.642 -4.838 1.00 0.00 C ATOM 551 CG ASP A 34 -20.734 10.749 -5.211 1.00 0.00 C ATOM 552 OD1 ASP A 34 -21.061 11.537 -6.117 1.00 0.00 O ATOM 553 OD2 ASP A 34 -21.567 10.041 -4.602 1.00 0.00 O1- ATOM 0 H ASP A 34 -17.210 11.521 -2.615 1.00 0.00 H new ATOM 0 HA ASP A 34 -18.923 12.740 -4.503 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -18.670 10.618 -5.745 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -19.103 9.700 -4.317 1.00 0.00 H new ATOM 558 N HIS A 35 -19.262 11.191 -1.651 1.00 0.00 N ATOM 559 CA HIS A 35 -20.032 11.151 -0.419 1.00 0.00 C ATOM 560 C HIS A 35 -20.068 12.520 0.231 1.00 0.00 C ATOM 561 O HIS A 35 -21.134 13.021 0.564 1.00 0.00 O ATOM 562 CB HIS A 35 -19.457 10.114 0.548 1.00 0.00 C ATOM 563 CG HIS A 35 -19.483 8.716 0.016 1.00 0.00 C ATOM 564 ND1 HIS A 35 -18.401 8.128 -0.608 1.00 0.00 N ATOM 565 CD2 HIS A 35 -20.465 7.787 0.012 1.00 0.00 C ATOM 566 CE1 HIS A 35 -18.723 6.898 -0.972 1.00 0.00 C ATOM 567 NE2 HIS A 35 -19.965 6.670 -0.607 1.00 0.00 N ATOM 0 H HIS A 35 -18.397 10.652 -1.628 1.00 0.00 H new ATOM 0 HA HIS A 35 -21.053 10.858 -0.666 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -18.428 10.384 0.786 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -20.020 10.149 1.481 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -21.458 7.903 0.420 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -18.076 6.200 -1.482 1.00 0.00 H new ATOM 0 HE2 HIS A 35 -20.476 5.800 -0.760 1.00 0.00 H new ATOM 575 N ASP A 36 -18.892 13.134 0.374 1.00 0.00 N ATOM 576 CA ASP A 36 -18.776 14.471 0.973 1.00 0.00 C ATOM 577 C ASP A 36 -19.625 15.471 0.215 1.00 0.00 C ATOM 578 O ASP A 36 -20.227 16.369 0.807 1.00 0.00 O ATOM 579 CB ASP A 36 -17.318 14.949 0.973 1.00 0.00 C ATOM 580 CG ASP A 36 -16.405 14.083 1.810 1.00 0.00 C ATOM 581 OD1 ASP A 36 -15.843 13.109 1.264 1.00 0.00 O ATOM 582 OD2 ASP A 36 -16.230 14.376 3.013 1.00 0.00 O1- ATOM 0 H ASP A 36 -18.003 12.728 0.083 1.00 0.00 H new ATOM 0 HA ASP A 36 -19.128 14.401 2.002 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -16.949 14.968 -0.053 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -17.278 15.973 1.345 1.00 0.00 H new ATOM 587 N LYS A 37 -19.671 15.304 -1.099 1.00 0.00 N ATOM 588 CA LYS A 37 -20.446 16.174 -1.963 1.00 0.00 C ATOM 589 C LYS A 37 -21.935 16.034 -1.663 1.00 0.00 C ATOM 590 O LYS A 37 -22.622 17.025 -1.421 1.00 0.00 O ATOM 591 CB LYS A 37 -20.150 15.854 -3.433 1.00 0.00 C ATOM 592 CG LYS A 37 -20.925 16.701 -4.427 1.00 0.00 C ATOM 593 CD LYS A 37 -20.443 16.459 -5.847 1.00 0.00 C ATOM 594 CE LYS A 37 -21.271 17.239 -6.859 1.00 0.00 C ATOM 595 NZ LYS A 37 -22.663 16.732 -6.949 1.00 0.00 N1+ ATOM 0 H LYS A 37 -19.173 14.563 -1.592 1.00 0.00 H new ATOM 0 HA LYS A 37 -20.160 17.208 -1.772 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -19.083 15.988 -3.614 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -20.375 14.803 -3.616 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -21.988 16.469 -4.356 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -20.812 17.756 -4.176 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -19.396 16.750 -5.931 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -20.498 15.394 -6.074 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -21.286 18.292 -6.580 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -20.798 17.176 -7.839 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -23.210 17.333 -7.598 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -22.654 15.755 -7.306 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -23.102 16.752 -6.006 1.00 0.00 H new ATOM 609 N LYS A 38 -22.423 14.797 -1.656 1.00 0.00 N ATOM 610 CA LYS A 38 -23.832 14.535 -1.359 1.00 0.00 C ATOM 611 C LYS A 38 -24.197 14.988 0.049 1.00 0.00 C ATOM 612 O LYS A 38 -25.297 15.498 0.275 1.00 0.00 O ATOM 613 CB LYS A 38 -24.186 13.056 -1.558 1.00 0.00 C ATOM 614 CG LYS A 38 -24.262 12.640 -3.017 1.00 0.00 C ATOM 615 CD LYS A 38 -24.579 11.161 -3.162 1.00 0.00 C ATOM 616 CE LYS A 38 -24.892 10.796 -4.606 1.00 0.00 C ATOM 617 NZ LYS A 38 -23.810 11.208 -5.537 1.00 0.00 N1+ ATOM 0 H LYS A 38 -21.869 13.963 -1.851 1.00 0.00 H new ATOM 0 HA LYS A 38 -24.421 15.119 -2.067 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -23.441 12.442 -1.052 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -25.145 12.853 -1.081 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -25.027 13.228 -3.524 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -23.314 12.859 -3.508 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -23.732 10.570 -2.812 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -25.429 10.906 -2.529 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -25.044 9.719 -4.682 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -25.826 11.271 -4.905 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -23.791 10.564 -6.353 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -23.986 12.179 -5.866 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -22.895 11.170 -5.044 1.00 0.00 H new ATOM 631 N GLU A 39 -23.267 14.820 0.993 1.00 0.00 N ATOM 632 CA GLU A 39 -23.498 15.253 2.368 1.00 0.00 C ATOM 633 C GLU A 39 -23.716 16.762 2.426 1.00 0.00 C ATOM 634 O GLU A 39 -24.488 17.252 3.244 1.00 0.00 O ATOM 635 CB GLU A 39 -22.333 14.852 3.290 1.00 0.00 C ATOM 636 CG GLU A 39 -22.131 13.356 3.425 1.00 0.00 C ATOM 637 CD GLU A 39 -20.991 13.012 4.356 1.00 0.00 C ATOM 638 OE1 GLU A 39 -19.818 13.080 3.928 1.00 0.00 O ATOM 639 OE2 GLU A 39 -21.258 12.666 5.526 1.00 0.00 O1- ATOM 0 H GLU A 39 -22.356 14.391 0.830 1.00 0.00 H new ATOM 0 HA GLU A 39 -24.398 14.750 2.723 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -21.414 15.298 2.910 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -22.506 15.274 4.280 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -23.049 12.900 3.795 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -21.936 12.928 2.442 1.00 0.00 H new ATOM 646 N ALA A 40 -23.062 17.496 1.531 1.00 0.00 N ATOM 647 CA ALA A 40 -23.198 18.943 1.513 1.00 0.00 C ATOM 648 C ALA A 40 -24.453 19.360 0.756 1.00 0.00 C ATOM 649 O ALA A 40 -25.118 20.318 1.134 1.00 0.00 O ATOM 650 CB ALA A 40 -21.945 19.625 0.939 1.00 0.00 C ATOM 0 H ALA A 40 -22.440 17.116 0.818 1.00 0.00 H new ATOM 0 HA ALA A 40 -23.300 19.278 2.545 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -22.085 20.706 0.942 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -21.079 19.370 1.550 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -21.781 19.283 -0.083 1.00 0.00 H new ATOM 656 N GLU A 41 -24.796 18.610 -0.296 1.00 0.00 N ATOM 657 CA GLU A 41 -25.978 18.917 -1.095 1.00 0.00 C ATOM 658 C GLU A 41 -27.248 18.686 -0.283 1.00 0.00 C ATOM 659 O GLU A 41 -28.184 19.488 -0.327 1.00 0.00 O ATOM 660 CB GLU A 41 -26.005 18.082 -2.388 1.00 0.00 C ATOM 661 CG GLU A 41 -24.850 18.379 -3.337 1.00 0.00 C ATOM 662 CD GLU A 41 -24.909 17.567 -4.617 1.00 0.00 C ATOM 663 OE1 GLU A 41 -25.701 17.918 -5.518 1.00 0.00 O ATOM 664 OE2 GLU A 41 -24.151 16.584 -4.743 1.00 0.00 O1- ATOM 0 H GLU A 41 -24.273 17.792 -0.610 1.00 0.00 H new ATOM 0 HA GLU A 41 -25.931 19.970 -1.374 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -25.985 17.024 -2.127 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -26.946 18.264 -2.907 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -24.856 19.440 -3.586 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -23.908 18.176 -2.828 1.00 0.00 H new ATOM 671 N ARG A 42 -27.268 17.596 0.470 1.00 0.00 N ATOM 672 CA ARG A 42 -28.418 17.264 1.307 1.00 0.00 C ATOM 673 C ARG A 42 -28.627 18.296 2.409 1.00 0.00 C ATOM 674 O ARG A 42 -29.726 18.827 2.572 1.00 0.00 O ATOM 675 CB ARG A 42 -28.276 15.861 1.919 1.00 0.00 C ATOM 676 CG ARG A 42 -28.469 14.728 0.921 1.00 0.00 C ATOM 677 CD ARG A 42 -29.871 14.760 0.327 1.00 0.00 C ATOM 678 NE ARG A 42 -30.899 14.768 1.373 1.00 0.00 N ATOM 679 CZ ARG A 42 -31.910 15.647 1.444 1.00 0.00 C ATOM 680 NH1 ARG A 42 -32.082 16.561 0.488 1.00 0.00 N1+ ATOM 681 NH2 ARG A 42 -32.755 15.598 2.463 1.00 0.00 N ATOM 0 H ARG A 42 -26.502 16.924 0.520 1.00 0.00 H new ATOM 0 HA ARG A 42 -29.295 17.274 0.660 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -27.287 15.770 2.369 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -29.004 15.751 2.723 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -27.730 14.810 0.124 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -28.300 13.771 1.414 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -29.981 15.645 -0.300 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -30.014 13.893 -0.318 1.00 0.00 H new ATOM 0 HE ARG A 42 -30.841 14.054 2.099 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -31.442 16.596 -0.306 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -32.854 17.225 0.550 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -32.636 14.893 3.191 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -33.525 16.265 2.520 1.00 0.00 H new ATOM 695 N LYS A 43 -27.569 18.593 3.148 1.00 0.00 N ATOM 696 CA LYS A 43 -27.658 19.539 4.254 1.00 0.00 C ATOM 697 C LYS A 43 -27.979 20.951 3.765 1.00 0.00 C ATOM 698 O LYS A 43 -28.664 21.711 4.452 1.00 0.00 O ATOM 699 CB LYS A 43 -26.369 19.528 5.085 1.00 0.00 C ATOM 700 CG LYS A 43 -26.077 18.186 5.733 1.00 0.00 C ATOM 701 CD LYS A 43 -24.730 18.193 6.426 1.00 0.00 C ATOM 702 CE LYS A 43 -24.419 16.847 7.052 1.00 0.00 C ATOM 703 NZ LYS A 43 -23.100 16.847 7.727 1.00 0.00 N1+ ATOM 0 H LYS A 43 -26.641 18.195 3.004 1.00 0.00 H new ATOM 0 HA LYS A 43 -28.481 19.220 4.893 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -25.531 19.803 4.445 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -26.440 20.290 5.862 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -26.859 17.950 6.455 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -26.095 17.402 4.976 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -23.952 18.450 5.708 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -24.720 18.964 7.196 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -25.196 16.593 7.773 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -24.434 16.076 6.282 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -22.923 15.910 8.143 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -22.356 17.065 7.034 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -23.095 17.566 8.479 1.00 0.00 H new ATOM 717 N ALA A 44 -27.513 21.294 2.569 1.00 0.00 N ATOM 718 CA ALA A 44 -27.763 22.615 2.016 1.00 0.00 C ATOM 719 C ALA A 44 -29.214 22.757 1.580 1.00 0.00 C ATOM 720 O ALA A 44 -29.728 23.866 1.452 1.00 0.00 O ATOM 721 CB ALA A 44 -26.827 22.898 0.851 1.00 0.00 C ATOM 0 H ALA A 44 -26.964 20.678 1.969 1.00 0.00 H new ATOM 0 HA ALA A 44 -27.569 23.348 2.799 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -27.032 23.892 0.453 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -25.794 22.851 1.195 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -26.984 22.155 0.069 1.00 0.00 H new ATOM 727 N LEU A 45 -29.879 21.634 1.359 1.00 0.00 N ATOM 728 CA LEU A 45 -31.268 21.665 0.936 1.00 0.00 C ATOM 729 C LEU A 45 -32.205 21.663 2.146 1.00 0.00 C ATOM 730 O LEU A 45 -33.242 22.330 2.137 1.00 0.00 O ATOM 731 CB LEU A 45 -31.594 20.504 -0.033 1.00 0.00 C ATOM 732 CG LEU A 45 -32.987 20.540 -0.669 1.00 0.00 C ATOM 733 CD1 LEU A 45 -33.195 21.838 -1.438 1.00 0.00 C ATOM 734 CD2 LEU A 45 -33.177 19.347 -1.589 1.00 0.00 C ATOM 0 H LEU A 45 -29.484 20.700 1.464 1.00 0.00 H new ATOM 0 HA LEU A 45 -31.428 22.594 0.389 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -30.851 20.501 -0.830 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -31.486 19.563 0.507 1.00 0.00 H new ATOM 0 HG LEU A 45 -33.729 20.491 0.128 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -34.191 21.843 -1.882 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -33.097 22.684 -0.757 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -32.446 21.918 -2.226 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -34.171 19.385 -2.034 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -32.425 19.372 -2.378 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -33.071 18.426 -1.016 1.00 0.00 H new ATOM 746 N GLU A 46 -31.821 20.947 3.206 1.00 0.00 N ATOM 747 CA GLU A 46 -32.643 20.887 4.412 1.00 0.00 C ATOM 748 C GLU A 46 -32.613 22.224 5.147 1.00 0.00 C ATOM 749 O GLU A 46 -33.581 22.599 5.812 1.00 0.00 O ATOM 750 CB GLU A 46 -32.187 19.751 5.345 1.00 0.00 C ATOM 751 CG GLU A 46 -32.303 18.360 4.739 1.00 0.00 C ATOM 752 CD GLU A 46 -33.728 17.989 4.375 1.00 0.00 C ATOM 753 OE1 GLU A 46 -34.530 17.698 5.296 1.00 0.00 O ATOM 754 OE2 GLU A 46 -34.049 17.956 3.170 1.00 0.00 O1- ATOM 0 H GLU A 46 -30.956 20.408 3.252 1.00 0.00 H new ATOM 0 HA GLU A 46 -33.668 20.678 4.106 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -31.150 19.925 5.630 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -32.780 19.787 6.259 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -31.680 18.306 3.846 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -31.912 17.628 5.446 1.00 0.00 H new ATOM 761 N ASP A 47 -31.504 22.952 4.999 1.00 0.00 N ATOM 762 CA ASP A 47 -31.351 24.263 5.646 1.00 0.00 C ATOM 763 C ASP A 47 -32.326 25.277 5.057 1.00 0.00 C ATOM 764 O ASP A 47 -32.860 26.128 5.769 1.00 0.00 O ATOM 765 CB ASP A 47 -29.895 24.786 5.535 1.00 0.00 C ATOM 766 CG ASP A 47 -29.755 26.237 5.967 1.00 0.00 C ATOM 767 OD1 ASP A 47 -29.602 26.496 7.177 1.00 0.00 O ATOM 768 OD2 ASP A 47 -29.795 27.127 5.091 1.00 0.00 O1- ATOM 0 H ASP A 47 -30.701 22.661 4.441 1.00 0.00 H new ATOM 0 HA ASP A 47 -31.581 24.133 6.704 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -29.243 24.165 6.149 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -29.555 24.684 4.504 1.00 0.00 H new ATOM 773 N LYS A 48 -32.586 25.162 3.763 1.00 0.00 N ATOM 774 CA LYS A 48 -33.487 26.085 3.090 1.00 0.00 C ATOM 775 C LYS A 48 -34.929 25.791 3.460 1.00 0.00 C ATOM 776 O LYS A 48 -35.760 26.701 3.550 1.00 0.00 O ATOM 777 CB LYS A 48 -33.294 26.031 1.572 1.00 0.00 C ATOM 778 CG LYS A 48 -31.908 26.463 1.124 1.00 0.00 C ATOM 779 CD LYS A 48 -31.770 26.423 -0.386 1.00 0.00 C ATOM 780 CE LYS A 48 -30.395 26.902 -0.830 1.00 0.00 C ATOM 781 NZ LYS A 48 -29.303 26.061 -0.272 1.00 0.00 N1+ ATOM 0 H LYS A 48 -32.188 24.442 3.160 1.00 0.00 H new ATOM 0 HA LYS A 48 -33.247 27.095 3.423 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -33.479 25.014 1.226 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -34.037 26.670 1.096 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -31.708 27.473 1.481 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -31.160 25.811 1.575 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -31.935 25.406 -0.741 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -32.539 27.048 -0.840 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -30.341 26.890 -1.919 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -30.253 27.936 -0.515 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -28.764 26.611 0.427 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -29.711 25.222 0.188 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -28.669 25.761 -1.040 1.00 0.00 H new ATOM 795 N LEU A 49 -35.213 24.523 3.706 1.00 0.00 N ATOM 796 CA LEU A 49 -36.557 24.102 4.089 1.00 0.00 C ATOM 797 C LEU A 49 -36.828 24.484 5.545 1.00 0.00 C ATOM 798 O LEU A 49 -37.973 24.646 5.956 1.00 0.00 O ATOM 799 CB LEU A 49 -36.733 22.584 3.890 1.00 0.00 C ATOM 800 CG LEU A 49 -38.159 22.055 4.043 1.00 0.00 C ATOM 801 CD1 LEU A 49 -39.073 22.683 3.004 1.00 0.00 C ATOM 802 CD2 LEU A 49 -38.180 20.540 3.925 1.00 0.00 C ATOM 0 H LEU A 49 -34.533 23.765 3.648 1.00 0.00 H new ATOM 0 HA LEU A 49 -37.276 24.613 3.449 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -36.373 22.323 2.895 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -36.095 22.066 4.606 1.00 0.00 H new ATOM 0 HG LEU A 49 -38.524 22.328 5.033 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -40.084 22.295 3.127 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -39.081 23.765 3.133 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -38.710 22.439 2.005 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -39.203 20.181 4.036 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -37.796 20.246 2.948 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -37.556 20.106 4.706 1.00 0.00 H new ATOM 814 N ALA A 50 -35.754 24.642 6.306 1.00 0.00 N ATOM 815 CA ALA A 50 -35.844 25.027 7.718 1.00 0.00 C ATOM 816 C ALA A 50 -36.093 26.522 7.860 1.00 0.00 C ATOM 817 O ALA A 50 -36.463 27.005 8.930 1.00 0.00 O ATOM 818 CB ALA A 50 -34.586 24.618 8.482 1.00 0.00 C ATOM 0 H ALA A 50 -34.800 24.509 5.971 1.00 0.00 H new ATOM 0 HA ALA A 50 -36.691 24.496 8.152 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -34.681 24.916 9.526 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -34.460 23.537 8.424 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -33.718 25.109 8.042 1.00 0.00 H new ATOM 824 N ASP A 51 -35.858 27.251 6.786 1.00 0.00 N ATOM 825 CA ASP A 51 -36.057 28.701 6.783 1.00 0.00 C ATOM 826 C ASP A 51 -37.499 29.047 6.445 1.00 0.00 C ATOM 827 O ASP A 51 -38.129 29.869 7.113 1.00 0.00 O ATOM 828 CB ASP A 51 -35.123 29.372 5.765 1.00 0.00 C ATOM 829 CG ASP A 51 -35.191 30.890 5.801 1.00 0.00 C ATOM 830 OD1 ASP A 51 -34.280 31.510 6.388 1.00 0.00 O ATOM 831 OD2 ASP A 51 -36.137 31.468 5.232 1.00 0.00 O1- ATOM 0 H ASP A 51 -35.528 26.869 5.899 1.00 0.00 H new ATOM 0 HA ASP A 51 -35.826 29.070 7.782 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -34.098 29.056 5.958 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -35.379 29.027 4.763 1.00 0.00 H new ATOM 836 N LYS A 52 -38.024 28.393 5.419 1.00 0.00 N ATOM 837 CA LYS A 52 -39.363 28.688 4.912 1.00 0.00 C ATOM 838 C LYS A 52 -40.471 28.086 5.783 1.00 0.00 C ATOM 839 O LYS A 52 -41.654 28.334 5.544 1.00 0.00 O ATOM 840 CB LYS A 52 -39.490 28.215 3.461 1.00 0.00 C ATOM 841 CG LYS A 52 -38.440 28.820 2.533 1.00 0.00 C ATOM 842 CD LYS A 52 -38.583 30.335 2.439 1.00 0.00 C ATOM 843 CE LYS A 52 -37.367 30.981 1.788 1.00 0.00 C ATOM 844 NZ LYS A 52 -37.104 30.451 0.426 1.00 0.00 N1+ ATOM 0 H LYS A 52 -37.541 27.648 4.916 1.00 0.00 H new ATOM 0 HA LYS A 52 -39.495 29.769 4.951 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -39.407 27.129 3.432 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -40.483 28.469 3.089 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -37.444 28.570 2.897 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -38.536 28.382 1.539 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -39.476 30.580 1.864 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -38.723 30.749 3.438 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -37.518 32.059 1.732 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -36.491 30.814 2.415 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -36.332 30.991 -0.014 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -36.833 29.449 0.490 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -37.963 30.541 -0.153 1.00 0.00 H new ATOM 858 N GLN A 53 -40.088 27.295 6.774 1.00 0.00 N ATOM 859 CA GLN A 53 -41.042 26.707 7.715 1.00 0.00 C ATOM 860 C GLN A 53 -40.296 26.042 8.865 1.00 0.00 C ATOM 861 O GLN A 53 -39.085 26.176 8.965 1.00 0.00 O ATOM 862 CB GLN A 53 -41.969 25.695 7.027 1.00 0.00 C ATOM 863 CG GLN A 53 -41.249 24.601 6.261 1.00 0.00 C ATOM 864 CD GLN A 53 -42.189 23.508 5.808 1.00 0.00 C ATOM 865 OE1 GLN A 53 -43.172 23.199 6.483 1.00 0.00 O ATOM 866 NE2 GLN A 53 -41.911 22.931 4.662 1.00 0.00 N ATOM 0 H GLN A 53 -39.116 27.041 6.952 1.00 0.00 H new ATOM 0 HA GLN A 53 -41.665 27.512 8.105 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -42.606 25.234 7.782 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -42.625 26.230 6.340 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -40.753 25.034 5.393 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -40.471 24.170 6.891 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -41.086 23.217 4.134 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -42.520 22.197 4.300 1.00 0.00 H new ATOM 875 N GLU A 54 -41.006 25.316 9.718 1.00 0.00 N ATOM 876 CA GLU A 54 -40.368 24.669 10.852 1.00 0.00 C ATOM 877 C GLU A 54 -39.927 23.267 10.450 1.00 0.00 C ATOM 878 O GLU A 54 -40.759 22.399 10.166 1.00 0.00 O ATOM 879 CB GLU A 54 -41.322 24.628 12.062 1.00 0.00 C ATOM 880 CG GLU A 54 -40.622 24.664 13.415 1.00 0.00 C ATOM 881 CD GLU A 54 -39.851 23.407 13.722 1.00 0.00 C ATOM 882 OE1 GLU A 54 -40.454 22.459 14.243 1.00 0.00 O ATOM 883 OE2 GLU A 54 -38.635 23.367 13.460 1.00 0.00 O1- ATOM 0 H GLU A 54 -42.012 25.162 9.647 1.00 0.00 H new ATOM 0 HA GLU A 54 -39.490 25.242 11.148 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -42.007 25.473 11.998 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -41.926 23.723 12.003 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -39.941 25.515 13.441 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -41.365 24.826 14.196 1.00 0.00 H new ATOM 890 N HIS A 55 -38.624 23.060 10.404 1.00 0.00 N ATOM 891 CA HIS A 55 -38.065 21.784 9.975 1.00 0.00 C ATOM 892 C HIS A 55 -36.886 21.382 10.875 1.00 0.00 C ATOM 893 O HIS A 55 -36.063 20.546 10.510 1.00 0.00 O ATOM 894 CB HIS A 55 -37.621 21.897 8.502 1.00 0.00 C ATOM 895 CG HIS A 55 -37.246 20.596 7.849 1.00 0.00 C ATOM 896 ND1 HIS A 55 -38.165 19.617 7.530 1.00 0.00 N ATOM 897 CD2 HIS A 55 -36.044 20.123 7.440 1.00 0.00 C ATOM 898 CE1 HIS A 55 -37.542 18.603 6.956 1.00 0.00 C ATOM 899 NE2 HIS A 55 -36.258 18.888 6.890 1.00 0.00 N ATOM 0 H HIS A 55 -37.927 23.760 10.659 1.00 0.00 H new ATOM 0 HA HIS A 55 -38.825 21.007 10.060 1.00 0.00 H new ATOM 0 HB2 HIS A 55 -38.428 22.354 7.929 1.00 0.00 H new ATOM 0 HB3 HIS A 55 -36.768 22.573 8.446 1.00 0.00 H new ATOM 0 HD2 HIS A 55 -35.093 20.627 7.531 1.00 0.00 H new ATOM 0 HE1 HIS A 55 -38.007 17.695 6.601 1.00 0.00 H new ATOM 0 HE2 HIS A 55 -35.538 18.285 6.492 1.00 0.00 H new ATOM 907 N LEU A 56 -36.823 21.972 12.055 1.00 0.00 N ATOM 908 CA LEU A 56 -35.757 21.672 12.998 1.00 0.00 C ATOM 909 C LEU A 56 -36.278 20.786 14.121 1.00 0.00 C ATOM 910 O LEU A 56 -35.602 19.858 14.563 1.00 0.00 O ATOM 911 CB LEU A 56 -35.155 22.964 13.561 1.00 0.00 C ATOM 912 CG LEU A 56 -34.486 23.885 12.533 1.00 0.00 C ATOM 913 CD1 LEU A 56 -33.989 25.156 13.196 1.00 0.00 C ATOM 914 CD2 LEU A 56 -33.337 23.168 11.833 1.00 0.00 C ATOM 0 H LEU A 56 -37.497 22.663 12.385 1.00 0.00 H new ATOM 0 HA LEU A 56 -34.970 21.133 12.471 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -35.944 23.523 14.064 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -34.418 22.700 14.320 1.00 0.00 H new ATOM 0 HG LEU A 56 -35.231 24.154 11.784 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -33.518 25.795 12.450 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -34.829 25.684 13.647 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -33.262 24.903 13.968 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -32.877 23.840 11.108 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -32.594 22.866 12.571 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -33.718 22.286 11.319 1.00 0.00 H new ATOM 926 N ASN A 57 -37.483 21.074 14.573 1.00 0.00 N ATOM 927 CA ASN A 57 -38.123 20.268 15.611 1.00 0.00 C ATOM 928 C ASN A 57 -39.113 19.311 14.972 1.00 0.00 C ATOM 929 O ASN A 57 -39.076 18.106 15.209 1.00 0.00 O ATOM 930 CB ASN A 57 -38.842 21.156 16.642 1.00 0.00 C ATOM 931 CG ASN A 57 -39.585 20.354 17.706 1.00 0.00 C ATOM 932 OD1 ASN A 57 -39.140 19.285 18.134 1.00 0.00 O ATOM 933 ND2 ASN A 57 -40.728 20.861 18.129 1.00 0.00 N ATOM 0 H ASN A 57 -38.044 21.859 14.242 1.00 0.00 H new ATOM 0 HA ASN A 57 -37.351 19.704 16.134 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -38.112 21.804 17.127 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -39.549 21.804 16.124 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -41.276 20.366 18.833 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -41.063 21.747 17.752 1.00 0.00 H new ATOM 940 N GLY A 58 -39.990 19.856 14.150 1.00 0.00 N ATOM 941 CA GLY A 58 -40.976 19.045 13.469 1.00 0.00 C ATOM 942 C GLY A 58 -42.385 19.535 13.718 1.00 0.00 C ATOM 943 O GLY A 58 -43.350 18.806 13.474 1.00 0.00 O ATOM 0 H GLY A 58 -40.038 20.853 13.940 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -40.774 19.052 12.398 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -40.888 18.011 13.803 1.00 0.00 H new ATOM 947 N ALA A 59 -42.503 20.779 14.219 1.00 0.00 N ATOM 948 CA ALA A 59 -43.811 21.397 14.529 1.00 0.00 C ATOM 949 C ALA A 59 -44.626 20.521 15.484 1.00 0.00 C ATOM 950 O ALA A 59 -45.858 20.576 15.507 1.00 0.00 O ATOM 951 CB ALA A 59 -44.587 21.663 13.243 1.00 0.00 C ATOM 0 H ALA A 59 -41.704 21.381 14.420 1.00 0.00 H new ATOM 0 HA ALA A 59 -43.628 22.348 15.029 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -45.548 22.118 13.485 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -44.016 22.339 12.606 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -44.753 20.723 12.717 1.00 0.00 H new ATOM 957 N LEU A 60 -43.931 19.724 16.274 1.00 0.00 N ATOM 958 CA LEU A 60 -44.576 18.839 17.225 1.00 0.00 C ATOM 959 C LEU A 60 -44.380 19.363 18.636 1.00 0.00 C ATOM 960 O LEU A 60 -43.253 19.673 19.042 1.00 0.00 O ATOM 961 CB LEU A 60 -44.015 17.414 17.105 1.00 0.00 C ATOM 962 CG LEU A 60 -44.644 16.369 18.032 1.00 0.00 C ATOM 963 CD1 LEU A 60 -46.109 16.154 17.688 1.00 0.00 C ATOM 964 CD2 LEU A 60 -43.876 15.060 17.956 1.00 0.00 C ATOM 0 H LEU A 60 -42.912 19.672 16.275 1.00 0.00 H new ATOM 0 HA LEU A 60 -45.643 18.807 17.003 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -44.140 17.080 16.075 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -42.943 17.448 17.301 1.00 0.00 H new ATOM 0 HG LEU A 60 -44.589 16.741 19.055 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -46.535 15.408 18.359 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -46.651 17.093 17.799 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -46.194 15.806 16.658 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -44.336 14.329 18.621 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -43.897 14.684 16.933 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -42.842 15.226 18.260 1.00 0.00 H new ATOM 976 N ARG A 61 -45.468 19.465 19.380 1.00 0.00 N ATOM 977 CA ARG A 61 -45.411 19.967 20.743 1.00 0.00 C ATOM 978 C ARG A 61 -44.851 18.895 21.692 1.00 0.00 C ATOM 979 O ARG A 61 -44.479 17.804 21.251 1.00 0.00 O ATOM 980 CB ARG A 61 -46.795 20.422 21.202 1.00 0.00 C ATOM 981 CG ARG A 61 -47.369 21.549 20.362 1.00 0.00 C ATOM 982 CD ARG A 61 -48.769 21.923 20.810 1.00 0.00 C ATOM 983 NE ARG A 61 -49.328 23.001 19.994 1.00 0.00 N ATOM 984 CZ ARG A 61 -50.613 23.349 19.985 1.00 0.00 C ATOM 985 NH1 ARG A 61 -51.491 22.691 20.736 1.00 0.00 N1+ ATOM 986 NH2 ARG A 61 -51.019 24.355 19.221 1.00 0.00 N ATOM 0 H ARG A 61 -46.403 19.207 19.063 1.00 0.00 H new ATOM 0 HA ARG A 61 -44.741 20.826 20.766 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -47.477 19.572 21.171 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -46.736 20.747 22.241 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -46.719 22.422 20.430 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -47.390 21.248 19.314 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -49.416 21.048 20.750 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -48.746 22.232 21.855 1.00 0.00 H new ATOM 0 HE ARG A 61 -48.690 23.521 19.391 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -51.181 21.916 21.322 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -52.475 22.961 20.726 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -50.347 24.859 18.643 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -52.003 24.624 19.212 1.00 0.00 H new ATOM 1000 N TYR A 62 -44.796 19.194 22.988 1.00 0.00 N ATOM 1001 CA TYR A 62 -44.239 18.259 23.946 1.00 0.00 C ATOM 1002 C TYR A 62 -45.283 17.807 24.953 1.00 0.00 C ATOM 1003 O TYR A 62 -45.089 16.817 25.655 1.00 0.00 O ATOM 1004 CB TYR A 62 -43.020 18.869 24.641 1.00 0.00 C ATOM 1005 CG TYR A 62 -41.909 19.213 23.672 1.00 0.00 C ATOM 1006 CD1 TYR A 62 -41.777 20.498 23.160 1.00 0.00 C ATOM 1007 CD2 TYR A 62 -41.009 18.244 23.248 1.00 0.00 C ATOM 1008 CE1 TYR A 62 -40.780 20.807 22.256 1.00 0.00 C ATOM 1009 CE2 TYR A 62 -40.005 18.547 22.348 1.00 0.00 C ATOM 1010 CZ TYR A 62 -39.896 19.829 21.855 1.00 0.00 C ATOM 1011 OH TYR A 62 -38.905 20.133 20.949 1.00 0.00 O ATOM 0 H TYR A 62 -45.129 20.070 23.391 1.00 0.00 H new ATOM 0 HA TYR A 62 -43.912 17.372 23.403 1.00 0.00 H new ATOM 0 HB2 TYR A 62 -43.324 19.770 25.175 1.00 0.00 H new ATOM 0 HB3 TYR A 62 -42.643 18.169 25.386 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -42.466 21.268 23.474 1.00 0.00 H new ATOM 0 HD2 TYR A 62 -41.095 17.237 23.628 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -40.694 21.810 21.865 1.00 0.00 H new ATOM 0 HE2 TYR A 62 -39.310 17.783 22.033 1.00 0.00 H new ATOM 0 HH TYR A 62 -39.073 19.658 20.109 1.00 0.00 H new ATOM 1021 N ILE A 63 -46.389 18.532 25.026 1.00 0.00 N ATOM 1022 CA ILE A 63 -47.486 18.142 25.888 1.00 0.00 C ATOM 1023 C ILE A 63 -48.218 16.923 25.278 1.00 0.00 C ATOM 1024 O ILE A 63 -49.178 17.061 24.518 1.00 0.00 O ATOM 1025 CB ILE A 63 -48.480 19.325 26.145 1.00 0.00 C ATOM 1026 CG1 ILE A 63 -49.685 18.856 26.982 1.00 0.00 C ATOM 1027 CG2 ILE A 63 -48.932 19.974 24.835 1.00 0.00 C ATOM 1028 CD1 ILE A 63 -50.664 19.963 27.325 1.00 0.00 C ATOM 0 H ILE A 63 -46.547 19.391 24.499 1.00 0.00 H new ATOM 0 HA ILE A 63 -47.074 17.864 26.858 1.00 0.00 H new ATOM 0 HB ILE A 63 -47.949 20.087 26.716 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -50.213 18.075 26.435 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -49.320 18.408 27.906 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -49.621 20.791 25.052 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -48.064 20.363 24.303 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -49.434 19.231 24.215 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -51.484 19.554 27.915 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -50.153 20.735 27.900 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -51.059 20.397 26.406 1.00 0.00 H new ATOM 1040 N ASN A 64 -47.714 15.730 25.574 1.00 0.00 N ATOM 1041 CA ASN A 64 -48.274 14.501 25.026 1.00 0.00 C ATOM 1042 C ASN A 64 -49.537 14.083 25.758 1.00 0.00 C ATOM 1043 O ASN A 64 -50.298 13.250 25.265 1.00 0.00 O ATOM 1044 CB ASN A 64 -47.237 13.365 25.065 1.00 0.00 C ATOM 1045 CG ASN A 64 -46.727 13.075 26.470 1.00 0.00 C ATOM 1046 OD1 ASN A 64 -45.756 13.681 26.925 1.00 0.00 O ATOM 1047 ND2 ASN A 64 -47.366 12.148 27.157 1.00 0.00 N ATOM 0 H ASN A 64 -46.916 15.588 26.193 1.00 0.00 H new ATOM 0 HA ASN A 64 -48.540 14.701 23.988 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -47.682 12.460 24.652 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -46.394 13.627 24.425 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -47.060 11.911 28.101 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -48.166 11.669 26.745 1.00 0.00 H new ATOM 1054 N GLU A 65 -49.763 14.657 26.923 1.00 0.00 N ATOM 1055 CA GLU A 65 -50.931 14.312 27.716 1.00 0.00 C ATOM 1056 C GLU A 65 -52.179 15.014 27.211 1.00 0.00 C ATOM 1057 O GLU A 65 -52.105 16.057 26.558 1.00 0.00 O ATOM 1058 CB GLU A 65 -50.718 14.639 29.190 1.00 0.00 C ATOM 1059 CG GLU A 65 -49.588 13.870 29.835 1.00 0.00 C ATOM 1060 CD GLU A 65 -49.581 14.028 31.330 1.00 0.00 C ATOM 1061 OE1 GLU A 65 -49.997 13.087 32.031 1.00 0.00 O ATOM 1062 OE2 GLU A 65 -49.176 15.101 31.816 1.00 0.00 O1- ATOM 0 H GLU A 65 -49.157 15.362 27.342 1.00 0.00 H new ATOM 0 HA GLU A 65 -51.074 13.236 27.612 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -50.520 15.706 29.290 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -51.640 14.434 29.734 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -49.678 12.813 29.582 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -48.637 14.215 29.429 1.00 0.00 H new ATOM 1069 N LYS A 66 -53.320 14.433 27.520 1.00 0.00 N ATOM 1070 CA LYS A 66 -54.605 14.987 27.138 1.00 0.00 C ATOM 1071 C LYS A 66 -55.178 15.795 28.301 1.00 0.00 C ATOM 1072 O LYS A 66 -56.268 16.363 28.204 1.00 0.00 O ATOM 1073 CB LYS A 66 -55.577 13.855 26.765 1.00 0.00 C ATOM 1074 CG LYS A 66 -56.898 14.337 26.178 1.00 0.00 C ATOM 1075 CD LYS A 66 -57.967 13.255 26.213 1.00 0.00 C ATOM 1076 CE LYS A 66 -57.584 12.047 25.378 1.00 0.00 C ATOM 1077 NZ LYS A 66 -58.673 11.042 25.347 1.00 0.00 N1+ ATOM 0 H LYS A 66 -53.384 13.561 28.045 1.00 0.00 H new ATOM 0 HA LYS A 66 -54.471 15.638 26.274 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -55.091 13.196 26.046 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -55.783 13.260 27.655 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -57.245 15.208 26.734 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -56.741 14.658 25.148 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -58.134 12.944 27.244 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -58.909 13.664 25.847 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -57.351 12.365 24.362 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -56.680 11.594 25.785 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -58.379 10.229 24.768 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -58.877 10.722 26.315 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -59.528 11.469 24.936 1.00 0.00 H new ATOM 1091 N GLU A 67 -54.424 15.840 29.406 1.00 0.00 N ATOM 1092 CA GLU A 67 -54.852 16.531 30.621 1.00 0.00 C ATOM 1093 C GLU A 67 -56.086 15.830 31.203 1.00 0.00 C ATOM 1094 O GLU A 67 -56.984 16.476 31.737 1.00 0.00 O ATOM 1095 CB GLU A 67 -55.163 18.015 30.330 1.00 0.00 C ATOM 1096 CG GLU A 67 -53.979 18.801 29.784 1.00 0.00 C ATOM 1097 CD GLU A 67 -54.304 20.262 29.558 1.00 0.00 C ATOM 1098 OE1 GLU A 67 -54.692 20.626 28.428 1.00 0.00 O ATOM 1099 OE2 GLU A 67 -54.167 21.059 30.511 1.00 0.00 O1- ATOM 0 H GLU A 67 -53.507 15.401 29.480 1.00 0.00 H new ATOM 0 HA GLU A 67 -54.041 16.495 31.349 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -55.983 18.070 29.614 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -55.509 18.490 31.248 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -53.143 18.722 30.480 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -53.654 18.355 28.844 1.00 0.00 H new ATOM 1106 N ALA A 68 -56.102 14.489 31.107 1.00 0.00 N ATOM 1107 CA ALA A 68 -57.245 13.678 31.558 1.00 0.00 C ATOM 1108 C ALA A 68 -57.645 13.960 33.013 1.00 0.00 C ATOM 1109 O ALA A 68 -58.831 13.948 33.336 1.00 0.00 O ATOM 1110 CB ALA A 68 -56.986 12.180 31.346 1.00 0.00 C ATOM 0 H ALA A 68 -55.333 13.943 30.719 1.00 0.00 H new ATOM 0 HA ALA A 68 -58.090 13.976 30.937 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -57.849 11.609 31.689 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -56.821 11.986 30.286 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -56.104 11.880 31.912 1.00 0.00 H new ATOM 1116 N GLU A 69 -56.668 14.244 33.882 1.00 0.00 N ATOM 1117 CA GLU A 69 -56.968 14.504 35.294 1.00 0.00 C ATOM 1118 C GLU A 69 -57.620 15.869 35.457 1.00 0.00 C ATOM 1119 O GLU A 69 -58.375 16.105 36.397 1.00 0.00 O ATOM 1120 CB GLU A 69 -55.704 14.426 36.149 1.00 0.00 C ATOM 1121 CG GLU A 69 -54.979 13.094 36.063 1.00 0.00 C ATOM 1122 CD GLU A 69 -53.786 13.021 36.991 1.00 0.00 C ATOM 1123 OE1 GLU A 69 -53.872 12.331 38.025 1.00 0.00 O ATOM 1124 OE2 GLU A 69 -52.745 13.649 36.687 1.00 0.00 O1- ATOM 0 H GLU A 69 -55.679 14.299 33.638 1.00 0.00 H new ATOM 0 HA GLU A 69 -57.662 13.735 35.634 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -55.022 15.219 35.843 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -55.969 14.617 37.189 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -55.674 12.290 36.306 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -54.648 12.930 35.038 1.00 0.00 H new ATOM 1131 N ARG A 70 -57.337 16.752 34.518 1.00 0.00 N ATOM 1132 CA ARG A 70 -57.894 18.103 34.526 1.00 0.00 C ATOM 1133 C ARG A 70 -59.330 18.073 34.011 1.00 0.00 C ATOM 1134 O ARG A 70 -60.138 18.948 34.320 1.00 0.00 O ATOM 1135 CB ARG A 70 -57.037 19.040 33.652 1.00 0.00 C ATOM 1136 CG ARG A 70 -57.476 20.491 33.665 1.00 0.00 C ATOM 1137 CD ARG A 70 -56.665 21.306 32.676 1.00 0.00 C ATOM 1138 NE ARG A 70 -56.937 22.735 32.779 1.00 0.00 N ATOM 1139 CZ ARG A 70 -56.308 23.672 32.066 1.00 0.00 C ATOM 1140 NH1 ARG A 70 -55.380 23.334 31.175 1.00 0.00 N1+ ATOM 1141 NH2 ARG A 70 -56.608 24.945 32.244 1.00 0.00 N ATOM 0 H ARG A 70 -56.719 16.560 33.730 1.00 0.00 H new ATOM 0 HA ARG A 70 -57.889 18.481 35.548 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -56.002 18.984 33.989 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -57.058 18.677 32.624 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -58.535 20.558 33.416 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -57.357 20.903 34.667 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -55.603 21.128 32.847 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -56.886 20.969 31.663 1.00 0.00 H new ATOM 0 HE ARG A 70 -57.654 23.038 33.438 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -55.144 22.352 31.032 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -54.905 24.057 30.635 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -57.319 25.211 32.925 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -56.129 25.663 31.700 1.00 0.00 H new ATOM 1155 N LYS A 71 -59.640 17.045 33.237 1.00 0.00 N ATOM 1156 CA LYS A 71 -60.965 16.888 32.656 1.00 0.00 C ATOM 1157 C LYS A 71 -61.877 16.106 33.594 1.00 0.00 C ATOM 1158 O LYS A 71 -63.062 15.918 33.317 1.00 0.00 O ATOM 1159 CB LYS A 71 -60.864 16.170 31.312 1.00 0.00 C ATOM 1160 CG LYS A 71 -59.910 16.834 30.330 1.00 0.00 C ATOM 1161 CD LYS A 71 -59.771 16.021 29.052 1.00 0.00 C ATOM 1162 CE LYS A 71 -61.075 15.977 28.272 1.00 0.00 C ATOM 1163 NZ LYS A 71 -61.456 17.312 27.745 1.00 0.00 N1+ ATOM 0 H LYS A 71 -58.986 16.301 32.995 1.00 0.00 H new ATOM 0 HA LYS A 71 -61.393 17.879 32.504 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -60.538 15.144 31.483 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -61.856 16.119 30.863 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -60.272 17.834 30.089 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -58.931 16.953 30.795 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -58.988 16.453 28.429 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -59.459 15.006 29.298 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -60.978 15.275 27.444 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -61.870 15.602 28.916 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -62.218 17.204 27.045 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -61.787 17.913 28.527 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -60.631 17.755 27.293 1.00 0.00 H new ATOM 1177 N GLU A 72 -61.317 15.651 34.698 1.00 0.00 N ATOM 1178 CA GLU A 72 -62.065 14.894 35.678 1.00 0.00 C ATOM 1179 C GLU A 72 -62.488 15.814 36.844 1.00 0.00 C ATOM 1180 O GLU A 72 -61.854 16.848 37.067 1.00 0.00 O ATOM 1181 CB GLU A 72 -61.204 13.732 36.207 1.00 0.00 C ATOM 1182 CG GLU A 72 -60.984 12.624 35.198 1.00 0.00 C ATOM 1183 CD GLU A 72 -62.282 12.022 34.716 1.00 0.00 C ATOM 1184 OE1 GLU A 72 -62.664 12.266 33.557 1.00 0.00 O ATOM 1185 OE2 GLU A 72 -62.931 11.293 35.498 1.00 0.00 O1- ATOM 0 H GLU A 72 -60.336 15.795 34.938 1.00 0.00 H new ATOM 0 HA GLU A 72 -62.960 14.487 35.208 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -60.236 14.123 36.520 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -61.680 13.314 37.094 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -60.430 13.017 34.346 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -60.369 11.844 35.647 1.00 0.00 H new ATOM 1192 N LYS A 73 -63.555 15.446 37.597 1.00 0.00 N ATOM 1193 CA LYS A 73 -63.982 16.235 38.748 1.00 0.00 C ATOM 1194 C LYS A 73 -62.874 16.307 39.803 1.00 0.00 C ATOM 1195 O LYS A 73 -62.862 17.202 40.639 1.00 0.00 O ATOM 1196 CB LYS A 73 -65.258 15.640 39.352 1.00 0.00 C ATOM 1197 CG LYS A 73 -65.178 14.143 39.596 1.00 0.00 C ATOM 1198 CD LYS A 73 -66.474 13.595 40.164 1.00 0.00 C ATOM 1199 CE LYS A 73 -66.430 12.078 40.268 1.00 0.00 C ATOM 1200 NZ LYS A 73 -65.360 11.608 41.188 1.00 0.00 N1+ ATOM 0 H LYS A 73 -64.120 14.616 37.420 1.00 0.00 H new ATOM 0 HA LYS A 73 -64.193 17.249 38.409 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -65.471 16.142 40.296 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -66.095 15.846 38.685 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -64.947 13.634 38.660 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -64.360 13.930 40.285 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -66.653 14.025 41.150 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -67.308 13.895 39.529 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -67.395 11.712 40.619 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -66.268 11.652 39.278 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -65.266 10.575 41.112 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -64.458 12.058 40.930 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -65.607 11.862 42.166 1.00 0.00 H new ATOM 1214 N GLU A 74 -61.934 15.366 39.729 1.00 0.00 N ATOM 1215 CA GLU A 74 -60.787 15.306 40.655 1.00 0.00 C ATOM 1216 C GLU A 74 -59.875 16.534 40.520 1.00 0.00 C ATOM 1217 O GLU A 74 -58.935 16.706 41.299 1.00 0.00 O ATOM 1218 CB GLU A 74 -59.962 14.019 40.431 1.00 0.00 C ATOM 1219 CG GLU A 74 -60.580 12.751 41.021 1.00 0.00 C ATOM 1220 CD GLU A 74 -62.029 12.558 40.643 1.00 0.00 C ATOM 1221 OE1 GLU A 74 -62.305 12.246 39.471 1.00 0.00 O ATOM 1222 OE2 GLU A 74 -62.903 12.724 41.526 1.00 0.00 O1- ATOM 0 H GLU A 74 -61.939 14.623 39.031 1.00 0.00 H new ATOM 0 HA GLU A 74 -61.198 15.297 41.664 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -59.824 13.874 39.359 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -58.972 14.159 40.864 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -60.007 11.887 40.686 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -60.497 12.787 42.107 1.00 0.00 H new ATOM 1229 N ALA A 75 -60.148 17.376 39.535 1.00 0.00 N ATOM 1230 CA ALA A 75 -59.355 18.585 39.325 1.00 0.00 C ATOM 1231 C ALA A 75 -59.785 19.701 40.275 1.00 0.00 C ATOM 1232 O ALA A 75 -59.032 20.645 40.519 1.00 0.00 O ATOM 1233 CB ALA A 75 -59.447 19.056 37.876 1.00 0.00 C ATOM 0 H ALA A 75 -60.909 17.248 38.869 1.00 0.00 H new ATOM 0 HA ALA A 75 -58.316 18.336 39.541 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -58.848 19.957 37.748 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -59.073 18.274 37.215 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -60.486 19.273 37.629 1.00 0.00 H new ATOM 1239 N GLU A 76 -60.990 19.589 40.811 1.00 0.00 N ATOM 1240 CA GLU A 76 -61.510 20.602 41.724 1.00 0.00 C ATOM 1241 C GLU A 76 -62.132 19.967 42.966 1.00 0.00 C ATOM 1242 O GLU A 76 -62.012 20.502 44.068 1.00 0.00 O ATOM 1243 CB GLU A 76 -62.544 21.486 41.019 1.00 0.00 C ATOM 1244 CG GLU A 76 -63.704 20.713 40.411 1.00 0.00 C ATOM 1245 CD GLU A 76 -64.853 21.605 40.020 1.00 0.00 C ATOM 1246 OE1 GLU A 76 -64.907 22.043 38.856 1.00 0.00 O ATOM 1247 OE2 GLU A 76 -65.714 21.876 40.881 1.00 0.00 O1- ATOM 0 H GLU A 76 -61.626 18.812 40.633 1.00 0.00 H new ATOM 0 HA GLU A 76 -60.669 21.219 42.040 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -62.937 22.209 41.734 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -62.046 22.053 40.233 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -63.354 20.171 39.532 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -64.054 19.968 41.126 1.00 0.00 H new ATOM 1254 N GLN A 77 -62.787 18.821 42.765 1.00 0.00 N ATOM 1255 CA GLN A 77 -63.482 18.092 43.821 1.00 0.00 C ATOM 1256 C GLN A 77 -64.657 18.909 44.351 1.00 0.00 C ATOM 1257 O GLN A 77 -65.742 18.854 43.733 1.00 0.00 O ATOM 1258 CB GLN A 77 -62.528 17.694 44.956 1.00 0.00 C ATOM 1259 CG GLN A 77 -63.149 16.752 45.975 1.00 0.00 C ATOM 1260 CD GLN A 77 -62.183 16.370 47.072 1.00 0.00 C ATOM 1261 OE1 GLN A 77 -62.109 17.029 48.107 1.00 0.00 O ATOM 1262 NE2 GLN A 77 -61.433 15.310 46.853 1.00 0.00 N ATOM 1263 OXT GLN A 77 -64.500 19.612 45.370 1.00 0.00 O ATOM 0 H GLN A 77 -62.849 18.370 41.852 1.00 0.00 H new ATOM 0 HA GLN A 77 -63.872 17.170 43.390 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -61.645 17.220 44.527 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -62.189 18.595 45.467 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -64.026 17.226 46.416 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -63.494 15.851 45.469 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -61.526 14.791 45.980 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -60.759 15.008 47.556 1.00 0.00 H new TER 1272 GLN A 77