USER MOD reduce.3.24.130724 H: found=0, std=0, add=427, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 424 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 GLY N :NH3+ 175:sc= 0.783 (180deg=0.631!) USER MOD Single : A 2 SER OG : rot -33:sc= 0.221 USER MOD Single : A 5 LYS NZ :NH3+ 172:sc= 1.28 (180deg=1.15) USER MOD Single : A 7 THR OG1 : rot 180:sc= -0.363 USER MOD Single : A 13 GLN : amide:sc= 1.15 K(o=1.1,f=-9.7!) USER MOD Single : A 16 LYS NZ :NH3+ -114:sc= -0.164 (180deg=-0.597) USER MOD Single : A 17 ASN : amide:sc= 0 X(o=0,f=-0.44) USER MOD Single : A 20 HIS : no HD1:sc= -0.0843 X(o=-0.084,f=-0.57) USER MOD Single : A 29 LYS NZ :NH3+ -146:sc= -0.0516 (180deg=-1.2!) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 33 HIS : no HD1:sc= -0.0228 X(o=-0.023,f=0) USER MOD Single : A 35 HIS : no HD1:sc= -0.114 K(o=-0.11,f=-4.5!) USER MOD Single : A 37 LYS NZ :NH3+ 176:sc= -0.0676 (180deg=-0.143) USER MOD Single : A 38 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.111) USER MOD Single : A 43 LYS NZ :NH3+ -124:sc= 0.0428 (180deg=-0.00202) USER MOD Single : A 48 LYS NZ :NH3+ 159:sc= 1.12 (180deg=1.11) USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -1.276 -19.473 0.668 1.00 0.00 N ATOM 2 CA GLY A 1 -2.130 -20.176 -0.297 1.00 0.00 C ATOM 3 C GLY A 1 -1.677 -21.596 -0.518 1.00 0.00 C ATOM 4 O GLY A 1 -1.619 -22.388 0.424 1.00 0.00 O ATOM 0 H1 GLY A 1 -1.568 -18.477 0.729 1.00 0.00 H new ATOM 0 H2 GLY A 1 -1.369 -19.919 1.603 1.00 0.00 H new ATOM 0 H3 GLY A 1 -0.285 -19.525 0.357 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -3.160 -20.175 0.061 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -2.122 -19.640 -1.246 1.00 0.00 H new ATOM 10 N SER A 2 -1.344 -21.922 -1.748 1.00 0.00 N ATOM 11 CA SER A 2 -0.940 -23.270 -2.091 1.00 0.00 C ATOM 12 C SER A 2 0.485 -23.284 -2.659 1.00 0.00 C ATOM 13 O SER A 2 0.992 -24.329 -3.084 1.00 0.00 O ATOM 14 CB SER A 2 -1.940 -23.867 -3.094 1.00 0.00 C ATOM 15 OG SER A 2 -1.757 -25.266 -3.248 1.00 0.00 O ATOM 0 H SER A 2 -1.345 -21.269 -2.532 1.00 0.00 H new ATOM 0 HA SER A 2 -0.939 -23.882 -1.189 1.00 0.00 H new ATOM 0 HB2 SER A 2 -2.957 -23.668 -2.756 1.00 0.00 H new ATOM 0 HB3 SER A 2 -1.823 -23.376 -4.060 1.00 0.00 H new ATOM 0 HG SER A 2 -0.808 -25.486 -3.141 1.00 0.00 H new ATOM 21 N VAL A 3 1.133 -22.128 -2.656 1.00 0.00 N ATOM 22 CA VAL A 3 2.490 -22.033 -3.155 1.00 0.00 C ATOM 23 C VAL A 3 3.454 -21.719 -1.999 1.00 0.00 C ATOM 24 O VAL A 3 4.567 -21.225 -2.194 1.00 0.00 O ATOM 25 CB VAL A 3 2.614 -20.981 -4.304 1.00 0.00 C ATOM 26 CG1 VAL A 3 2.482 -19.560 -3.787 1.00 0.00 C ATOM 27 CG2 VAL A 3 3.913 -21.164 -5.088 1.00 0.00 C ATOM 0 H VAL A 3 0.741 -21.250 -2.315 1.00 0.00 H new ATOM 0 HA VAL A 3 2.763 -22.997 -3.584 1.00 0.00 H new ATOM 0 HB VAL A 3 1.783 -21.155 -4.988 1.00 0.00 H new ATOM 0 HG11 VAL A 3 2.574 -18.861 -4.618 1.00 0.00 H new ATOM 0 HG12 VAL A 3 1.509 -19.434 -3.313 1.00 0.00 H new ATOM 0 HG13 VAL A 3 3.268 -19.363 -3.058 1.00 0.00 H new ATOM 0 HG21 VAL A 3 3.968 -20.417 -5.880 1.00 0.00 H new ATOM 0 HG22 VAL A 3 4.763 -21.045 -4.416 1.00 0.00 H new ATOM 0 HG23 VAL A 3 3.935 -22.161 -5.528 1.00 0.00 H new ATOM 37 N GLU A 4 3.011 -22.027 -0.783 1.00 0.00 N ATOM 38 CA GLU A 4 3.842 -21.853 0.399 1.00 0.00 C ATOM 39 C GLU A 4 5.070 -22.762 0.313 1.00 0.00 C ATOM 40 O GLU A 4 6.181 -22.356 0.666 1.00 0.00 O ATOM 41 CB GLU A 4 3.037 -22.106 1.698 1.00 0.00 C ATOM 42 CG GLU A 4 1.835 -23.054 1.558 1.00 0.00 C ATOM 43 CD GLU A 4 2.215 -24.442 1.090 1.00 0.00 C ATOM 44 OE1 GLU A 4 2.546 -25.293 1.934 1.00 0.00 O ATOM 45 OE2 GLU A 4 2.196 -24.681 -0.129 1.00 0.00 O ATOM 0 H GLU A 4 2.080 -22.398 -0.593 1.00 0.00 H new ATOM 0 HA GLU A 4 4.182 -20.818 0.434 1.00 0.00 H new ATOM 0 HB2 GLU A 4 3.713 -22.513 2.450 1.00 0.00 H new ATOM 0 HB3 GLU A 4 2.680 -21.148 2.076 1.00 0.00 H new ATOM 0 HG2 GLU A 4 1.327 -23.129 2.520 1.00 0.00 H new ATOM 0 HG3 GLU A 4 1.123 -22.624 0.854 1.00 0.00 H new ATOM 52 N LYS A 5 4.838 -23.995 -0.151 1.00 0.00 N ATOM 53 CA LYS A 5 5.876 -24.996 -0.428 1.00 0.00 C ATOM 54 C LYS A 5 6.490 -25.576 0.845 1.00 0.00 C ATOM 55 O LYS A 5 6.617 -26.794 0.988 1.00 0.00 O ATOM 56 CB LYS A 5 6.940 -24.415 -1.371 1.00 0.00 C ATOM 57 CG LYS A 5 6.369 -24.017 -2.729 1.00 0.00 C ATOM 58 CD LYS A 5 7.342 -23.191 -3.554 1.00 0.00 C ATOM 59 CE LYS A 5 8.596 -23.967 -3.905 1.00 0.00 C ATOM 60 NZ LYS A 5 9.420 -23.245 -4.901 1.00 0.00 N ATOM 0 H LYS A 5 3.897 -24.334 -0.350 1.00 0.00 H new ATOM 0 HA LYS A 5 5.397 -25.836 -0.932 1.00 0.00 H new ATOM 0 HB2 LYS A 5 7.396 -23.543 -0.904 1.00 0.00 H new ATOM 0 HB3 LYS A 5 7.732 -25.150 -1.516 1.00 0.00 H new ATOM 0 HG2 LYS A 5 6.101 -24.916 -3.284 1.00 0.00 H new ATOM 0 HG3 LYS A 5 5.451 -23.448 -2.580 1.00 0.00 H new ATOM 0 HD2 LYS A 5 6.851 -22.863 -4.470 1.00 0.00 H new ATOM 0 HD3 LYS A 5 7.615 -22.293 -2.999 1.00 0.00 H new ATOM 0 HE2 LYS A 5 9.183 -24.140 -3.003 1.00 0.00 H new ATOM 0 HE3 LYS A 5 8.321 -24.945 -4.299 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 10.331 -23.734 -5.018 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 8.920 -23.221 -5.813 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 9.589 -22.273 -4.573 1.00 0.00 H new ATOM 74 N LEU A 6 6.834 -24.716 1.764 1.00 0.00 N ATOM 75 CA LEU A 6 7.440 -25.133 3.035 1.00 0.00 C ATOM 76 C LEU A 6 6.706 -24.507 4.213 1.00 0.00 C ATOM 77 O LEU A 6 6.770 -25.004 5.334 1.00 0.00 O ATOM 78 CB LEU A 6 8.943 -24.768 3.109 1.00 0.00 C ATOM 79 CG LEU A 6 9.926 -25.607 2.262 1.00 0.00 C ATOM 80 CD1 LEU A 6 9.719 -27.094 2.492 1.00 0.00 C ATOM 81 CD2 LEU A 6 9.832 -25.263 0.783 1.00 0.00 C ATOM 0 H LEU A 6 6.710 -23.708 1.671 1.00 0.00 H new ATOM 0 HA LEU A 6 7.351 -26.218 3.086 1.00 0.00 H new ATOM 0 HB2 LEU A 6 9.050 -23.725 2.813 1.00 0.00 H new ATOM 0 HB3 LEU A 6 9.254 -24.837 4.151 1.00 0.00 H new ATOM 0 HG LEU A 6 10.934 -25.353 2.591 1.00 0.00 H new ATOM 0 HD11 LEU A 6 10.425 -27.658 1.883 1.00 0.00 H new ATOM 0 HD12 LEU A 6 9.882 -27.326 3.545 1.00 0.00 H new ATOM 0 HD13 LEU A 6 8.701 -27.367 2.214 1.00 0.00 H new ATOM 0 HD21 LEU A 6 10.539 -25.874 0.222 1.00 0.00 H new ATOM 0 HD22 LEU A 6 8.820 -25.459 0.427 1.00 0.00 H new ATOM 0 HD23 LEU A 6 10.069 -24.209 0.639 1.00 0.00 H new ATOM 93 N THR A 7 5.990 -23.434 3.944 1.00 0.00 N ATOM 94 CA THR A 7 5.268 -22.709 4.966 1.00 0.00 C ATOM 95 C THR A 7 3.842 -23.281 5.123 1.00 0.00 C ATOM 96 O THR A 7 2.886 -22.546 5.356 1.00 0.00 O ATOM 97 CB THR A 7 5.188 -21.219 4.581 1.00 0.00 C ATOM 98 OG1 THR A 7 6.451 -20.809 4.029 1.00 0.00 O ATOM 99 CG2 THR A 7 4.877 -20.358 5.800 1.00 0.00 C ATOM 0 H THR A 7 5.893 -23.041 3.008 1.00 0.00 H new ATOM 0 HA THR A 7 5.796 -22.815 5.914 1.00 0.00 H new ATOM 0 HB THR A 7 4.390 -21.090 3.850 1.00 0.00 H new ATOM 0 HG1 THR A 7 6.407 -19.862 3.780 1.00 0.00 H new ATOM 0 HG21 THR A 7 4.826 -19.311 5.502 1.00 0.00 H new ATOM 0 HG22 THR A 7 3.920 -20.662 6.225 1.00 0.00 H new ATOM 0 HG23 THR A 7 5.662 -20.485 6.545 1.00 0.00 H new ATOM 107 N ALA A 8 3.719 -24.609 5.000 1.00 0.00 N ATOM 108 CA ALA A 8 2.412 -25.302 5.110 1.00 0.00 C ATOM 109 C ALA A 8 1.700 -24.976 6.426 1.00 0.00 C ATOM 110 O ALA A 8 0.470 -25.070 6.525 1.00 0.00 O ATOM 111 CB ALA A 8 2.587 -26.815 4.976 1.00 0.00 C ATOM 0 H ALA A 8 4.506 -25.233 4.824 1.00 0.00 H new ATOM 0 HA ALA A 8 1.790 -24.939 4.292 1.00 0.00 H new ATOM 0 HB1 ALA A 8 1.616 -27.302 5.060 1.00 0.00 H new ATOM 0 HB2 ALA A 8 3.026 -27.046 4.006 1.00 0.00 H new ATOM 0 HB3 ALA A 8 3.244 -27.177 5.767 1.00 0.00 H new ATOM 117 N ASP A 9 2.476 -24.586 7.419 1.00 0.00 N ATOM 118 CA ASP A 9 1.952 -24.239 8.733 1.00 0.00 C ATOM 119 C ASP A 9 1.004 -23.053 8.637 1.00 0.00 C ATOM 120 O ASP A 9 0.063 -22.937 9.409 1.00 0.00 O ATOM 121 CB ASP A 9 3.098 -23.903 9.685 1.00 0.00 C ATOM 122 CG ASP A 9 4.156 -24.977 9.710 1.00 0.00 C ATOM 123 OD1 ASP A 9 5.093 -24.907 8.888 1.00 0.00 O ATOM 124 OD2 ASP A 9 4.055 -25.900 10.539 1.00 0.00 O ATOM 0 H ASP A 9 3.489 -24.500 7.341 1.00 0.00 H new ATOM 0 HA ASP A 9 1.403 -25.098 9.119 1.00 0.00 H new ATOM 0 HB2 ASP A 9 3.550 -22.958 9.386 1.00 0.00 H new ATOM 0 HB3 ASP A 9 2.702 -23.763 10.691 1.00 0.00 H new ATOM 129 N ALA A 10 1.247 -22.190 7.668 1.00 0.00 N ATOM 130 CA ALA A 10 0.415 -21.004 7.469 1.00 0.00 C ATOM 131 C ALA A 10 -1.010 -21.393 7.096 1.00 0.00 C ATOM 132 O ALA A 10 -1.966 -20.766 7.543 1.00 0.00 O ATOM 133 CB ALA A 10 1.010 -20.081 6.408 1.00 0.00 C ATOM 0 H ALA A 10 2.014 -22.283 7.002 1.00 0.00 H new ATOM 0 HA ALA A 10 0.388 -20.461 8.414 1.00 0.00 H new ATOM 0 HB1 ALA A 10 0.368 -19.209 6.283 1.00 0.00 H new ATOM 0 HB2 ALA A 10 2.003 -19.759 6.721 1.00 0.00 H new ATOM 0 HB3 ALA A 10 1.084 -20.615 5.461 1.00 0.00 H new ATOM 139 N GLU A 11 -1.147 -22.449 6.298 1.00 0.00 N ATOM 140 CA GLU A 11 -2.468 -22.918 5.873 1.00 0.00 C ATOM 141 C GLU A 11 -3.279 -23.394 7.078 1.00 0.00 C ATOM 142 O GLU A 11 -4.460 -23.066 7.220 1.00 0.00 O ATOM 143 CB GLU A 11 -2.356 -24.043 4.830 1.00 0.00 C ATOM 144 CG GLU A 11 -3.702 -24.542 4.330 1.00 0.00 C ATOM 145 CD GLU A 11 -3.578 -25.672 3.335 1.00 0.00 C ATOM 146 OE1 GLU A 11 -3.573 -25.394 2.120 1.00 0.00 O ATOM 147 OE2 GLU A 11 -3.487 -26.847 3.761 1.00 0.00 O ATOM 0 H GLU A 11 -0.366 -22.995 5.933 1.00 0.00 H new ATOM 0 HA GLU A 11 -2.984 -22.078 5.408 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -1.772 -23.685 3.982 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -1.807 -24.878 5.265 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -4.298 -24.876 5.179 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -4.241 -23.715 3.868 1.00 0.00 H new ATOM 154 N LEU A 12 -2.643 -24.170 7.941 1.00 0.00 N ATOM 155 CA LEU A 12 -3.310 -24.652 9.152 1.00 0.00 C ATOM 156 C LEU A 12 -3.598 -23.503 10.129 1.00 0.00 C ATOM 157 O LEU A 12 -4.610 -23.511 10.827 1.00 0.00 O ATOM 158 CB LEU A 12 -2.523 -25.816 9.826 1.00 0.00 C ATOM 159 CG LEU A 12 -1.078 -25.542 10.297 1.00 0.00 C ATOM 160 CD1 LEU A 12 -1.053 -24.896 11.664 1.00 0.00 C ATOM 161 CD2 LEU A 12 -0.269 -26.827 10.299 1.00 0.00 C ATOM 0 H LEU A 12 -1.677 -24.480 7.833 1.00 0.00 H new ATOM 0 HA LEU A 12 -4.273 -25.064 8.851 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -3.097 -26.150 10.690 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -2.492 -26.648 9.123 1.00 0.00 H new ATOM 0 HG LEU A 12 -0.625 -24.843 9.594 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -0.020 -24.718 11.963 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -1.589 -23.948 11.628 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -1.532 -25.556 12.387 1.00 0.00 H new ATOM 0 HD21 LEU A 12 0.747 -26.617 10.633 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -0.731 -27.547 10.974 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -0.241 -27.241 9.291 1.00 0.00 H new ATOM 173 N GLN A 13 -2.711 -22.511 10.163 1.00 0.00 N ATOM 174 CA GLN A 13 -2.920 -21.334 11.013 1.00 0.00 C ATOM 175 C GLN A 13 -4.069 -20.488 10.484 1.00 0.00 C ATOM 176 O GLN A 13 -4.802 -19.862 11.253 1.00 0.00 O ATOM 177 CB GLN A 13 -1.654 -20.486 11.114 1.00 0.00 C ATOM 178 CG GLN A 13 -0.509 -21.174 11.831 1.00 0.00 C ATOM 179 CD GLN A 13 0.747 -20.338 11.844 1.00 0.00 C ATOM 180 OE1 GLN A 13 0.688 -19.110 11.851 1.00 0.00 O ATOM 181 NE2 GLN A 13 1.886 -20.988 11.841 1.00 0.00 N ATOM 0 H GLN A 13 -1.848 -22.495 9.619 1.00 0.00 H new ATOM 0 HA GLN A 13 -3.171 -21.692 12.011 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -1.330 -20.214 10.110 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -1.891 -19.558 11.635 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -0.806 -21.394 12.856 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -0.302 -22.128 11.347 1.00 0.00 H new ATOM 0 HE21 GLN A 13 1.891 -22.008 11.835 1.00 0.00 H new ATOM 0 HE22 GLN A 13 2.767 -20.474 11.845 1.00 0.00 H new ATOM 190 N ARG A 14 -4.226 -20.477 9.166 1.00 0.00 N ATOM 191 CA ARG A 14 -5.316 -19.735 8.536 1.00 0.00 C ATOM 192 C ARG A 14 -6.645 -20.358 8.921 1.00 0.00 C ATOM 193 O ARG A 14 -7.660 -19.674 9.040 1.00 0.00 O ATOM 194 CB ARG A 14 -5.166 -19.700 7.004 1.00 0.00 C ATOM 195 CG ARG A 14 -6.106 -18.716 6.323 1.00 0.00 C ATOM 196 CD ARG A 14 -5.902 -18.699 4.820 1.00 0.00 C ATOM 197 NE ARG A 14 -6.389 -19.923 4.189 1.00 0.00 N ATOM 198 CZ ARG A 14 -5.647 -20.734 3.432 1.00 0.00 C ATOM 199 NH1 ARG A 14 -4.350 -20.492 3.247 1.00 0.00 N ATOM 200 NH2 ARG A 14 -6.207 -21.796 2.869 1.00 0.00 N ATOM 0 H ARG A 14 -3.617 -20.970 8.514 1.00 0.00 H new ATOM 0 HA ARG A 14 -5.279 -18.706 8.892 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -4.137 -19.440 6.754 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -5.348 -20.698 6.606 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -7.139 -18.983 6.548 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -5.941 -17.716 6.725 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -6.420 -17.840 4.393 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -4.842 -18.574 4.599 1.00 0.00 H new ATOM 0 HE ARG A 14 -7.366 -20.176 4.337 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -3.915 -19.680 3.686 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -3.792 -21.118 2.667 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -7.198 -21.988 3.016 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -5.647 -22.421 2.289 1.00 0.00 H new ATOM 214 N LEU A 15 -6.626 -21.665 9.129 1.00 0.00 N ATOM 215 CA LEU A 15 -7.805 -22.391 9.552 1.00 0.00 C ATOM 216 C LEU A 15 -8.120 -22.062 11.009 1.00 0.00 C ATOM 217 O LEU A 15 -9.281 -21.930 11.388 1.00 0.00 O ATOM 218 CB LEU A 15 -7.589 -23.899 9.386 1.00 0.00 C ATOM 219 CG LEU A 15 -8.791 -24.791 9.711 1.00 0.00 C ATOM 220 CD1 LEU A 15 -9.919 -24.559 8.718 1.00 0.00 C ATOM 221 CD2 LEU A 15 -8.381 -26.257 9.723 1.00 0.00 C ATOM 0 H LEU A 15 -5.796 -22.246 9.009 1.00 0.00 H new ATOM 0 HA LEU A 15 -8.647 -22.091 8.929 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -7.287 -24.091 8.356 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -6.757 -24.199 10.023 1.00 0.00 H new ATOM 0 HG LEU A 15 -9.153 -24.527 10.705 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -10.762 -25.203 8.968 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -10.233 -23.516 8.762 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -9.571 -24.791 7.711 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -9.248 -26.875 9.956 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -7.990 -26.534 8.744 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -7.611 -26.413 10.478 1.00 0.00 H new ATOM 233 N LYS A 16 -7.069 -21.920 11.818 1.00 0.00 N ATOM 234 CA LYS A 16 -7.227 -21.599 13.241 1.00 0.00 C ATOM 235 C LYS A 16 -7.731 -20.190 13.462 1.00 0.00 C ATOM 236 O LYS A 16 -8.290 -19.883 14.515 1.00 0.00 O ATOM 237 CB LYS A 16 -5.926 -21.813 14.023 1.00 0.00 C ATOM 238 CG LYS A 16 -5.503 -23.266 14.164 1.00 0.00 C ATOM 239 CD LYS A 16 -4.350 -23.401 15.150 1.00 0.00 C ATOM 240 CE LYS A 16 -3.978 -24.855 15.395 1.00 0.00 C ATOM 241 NZ LYS A 16 -3.381 -25.491 14.196 1.00 0.00 N ATOM 0 H LYS A 16 -6.100 -22.022 11.515 1.00 0.00 H new ATOM 0 HA LYS A 16 -7.979 -22.291 13.620 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -5.126 -21.262 13.529 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -6.041 -21.384 15.018 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -6.349 -23.864 14.503 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -5.204 -23.658 13.192 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -3.482 -22.864 14.768 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -4.624 -22.933 16.095 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -3.273 -24.913 16.224 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -4.867 -25.410 15.694 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -4.016 -26.236 13.845 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -3.245 -24.775 13.454 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -2.462 -25.909 14.446 1.00 0.00 H new ATOM 255 N ASN A 17 -7.552 -19.345 12.479 1.00 0.00 N ATOM 256 CA ASN A 17 -7.972 -17.965 12.580 1.00 0.00 C ATOM 257 C ASN A 17 -8.001 -17.328 11.212 1.00 0.00 C ATOM 258 O ASN A 17 -9.070 -17.131 10.633 1.00 0.00 O ATOM 259 CB ASN A 17 -7.031 -17.182 13.519 1.00 0.00 C ATOM 260 CG ASN A 17 -7.361 -15.698 13.592 1.00 0.00 C ATOM 261 OD1 ASN A 17 -8.514 -15.291 13.434 1.00 0.00 O ATOM 262 ND2 ASN A 17 -6.349 -14.886 13.833 1.00 0.00 N ATOM 0 H ASN A 17 -7.114 -19.589 11.590 1.00 0.00 H new ATOM 0 HA ASN A 17 -8.978 -17.937 13.000 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -7.087 -17.610 14.520 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -6.003 -17.303 13.177 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -6.506 -13.880 13.895 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -5.410 -15.264 13.958 1.00 0.00 H new ATOM 269 N GLU A 18 -6.814 -17.050 10.689 1.00 0.00 N ATOM 270 CA GLU A 18 -6.658 -16.391 9.381 1.00 0.00 C ATOM 271 C GLU A 18 -5.170 -16.080 9.080 1.00 0.00 C ATOM 272 O GLU A 18 -4.527 -16.816 8.347 1.00 0.00 O ATOM 273 CB GLU A 18 -7.534 -15.108 9.295 1.00 0.00 C ATOM 274 CG GLU A 18 -7.379 -14.314 8.008 1.00 0.00 C ATOM 275 CD GLU A 18 -8.051 -14.983 6.834 1.00 0.00 C ATOM 276 OE1 GLU A 18 -9.271 -14.806 6.668 1.00 0.00 O ATOM 277 OE2 GLU A 18 -7.373 -15.696 6.079 1.00 0.00 O ATOM 0 H GLU A 18 -5.931 -17.270 11.150 1.00 0.00 H new ATOM 0 HA GLU A 18 -7.007 -17.084 8.615 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -8.581 -15.392 9.406 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -7.288 -14.460 10.137 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -7.801 -13.318 8.146 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -6.319 -14.184 7.790 1.00 0.00 H new ATOM 284 N ARG A 19 -4.644 -14.988 9.659 1.00 0.00 N ATOM 285 CA ARG A 19 -3.264 -14.574 9.456 1.00 0.00 C ATOM 286 C ARG A 19 -3.018 -14.175 7.991 1.00 0.00 C ATOM 287 O ARG A 19 -2.512 -14.979 7.202 1.00 0.00 O ATOM 288 CB ARG A 19 -2.268 -15.666 9.867 1.00 0.00 C ATOM 289 CG ARG A 19 -2.271 -15.974 11.348 1.00 0.00 C ATOM 290 CD ARG A 19 -0.905 -16.441 11.805 1.00 0.00 C ATOM 291 NE ARG A 19 0.098 -15.372 11.703 1.00 0.00 N ATOM 292 CZ ARG A 19 1.392 -15.520 11.990 1.00 0.00 C ATOM 293 NH1 ARG A 19 1.868 -16.710 12.326 1.00 0.00 N ATOM 294 NH2 ARG A 19 2.215 -14.481 11.920 1.00 0.00 N ATOM 0 H ARG A 19 -5.171 -14.374 10.279 1.00 0.00 H new ATOM 0 HA ARG A 19 -3.100 -13.708 10.097 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -2.497 -16.578 9.316 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -1.265 -15.358 9.572 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -2.562 -15.085 11.908 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -3.013 -16.743 11.562 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -0.965 -16.786 12.837 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -0.591 -17.293 11.202 1.00 0.00 H new ATOM 0 HE ARG A 19 -0.217 -14.453 11.391 1.00 0.00 H new ATOM 0 HH11 ARG A 19 1.244 -17.516 12.366 1.00 0.00 H new ATOM 0 HH12 ARG A 19 2.858 -16.820 12.545 1.00 0.00 H new ATOM 0 HH21 ARG A 19 1.858 -13.565 11.646 1.00 0.00 H new ATOM 0 HH22 ARG A 19 3.204 -14.598 12.140 1.00 0.00 H new ATOM 308 N HIS A 20 -3.377 -12.931 7.616 1.00 0.00 N ATOM 309 CA HIS A 20 -3.168 -12.453 6.244 1.00 0.00 C ATOM 310 C HIS A 20 -1.682 -12.333 5.927 1.00 0.00 C ATOM 311 O HIS A 20 -1.300 -12.061 4.787 1.00 0.00 O ATOM 312 CB HIS A 20 -3.863 -11.108 6.003 1.00 0.00 C ATOM 313 CG HIS A 20 -5.353 -11.179 6.067 1.00 0.00 C ATOM 314 ND1 HIS A 20 -6.140 -11.421 4.966 1.00 0.00 N ATOM 315 CD2 HIS A 20 -6.201 -11.044 7.109 1.00 0.00 C ATOM 316 CE1 HIS A 20 -7.410 -11.432 5.330 1.00 0.00 C ATOM 317 NE2 HIS A 20 -7.469 -11.205 6.623 1.00 0.00 N ATOM 0 H HIS A 20 -3.808 -12.249 8.240 1.00 0.00 H new ATOM 0 HA HIS A 20 -3.612 -13.192 5.577 1.00 0.00 H new ATOM 0 HB2 HIS A 20 -3.511 -10.390 6.744 1.00 0.00 H new ATOM 0 HB3 HIS A 20 -3.568 -10.728 5.025 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -5.929 -10.846 8.135 1.00 0.00 H new ATOM 0 HE1 HIS A 20 -8.254 -11.599 4.677 1.00 0.00 H new ATOM 0 HE2 HIS A 20 -8.325 -11.157 7.176 1.00 0.00 H new ATOM 325 N GLU A 21 -0.846 -12.531 6.949 1.00 0.00 N ATOM 326 CA GLU A 21 0.601 -12.514 6.789 1.00 0.00 C ATOM 327 C GLU A 21 1.020 -13.551 5.754 1.00 0.00 C ATOM 328 O GLU A 21 2.003 -13.369 5.040 1.00 0.00 O ATOM 329 CB GLU A 21 1.315 -12.799 8.123 1.00 0.00 C ATOM 330 CG GLU A 21 0.998 -11.814 9.245 1.00 0.00 C ATOM 331 CD GLU A 21 -0.364 -12.039 9.865 1.00 0.00 C ATOM 332 OE1 GLU A 21 -0.479 -12.904 10.752 1.00 0.00 O ATOM 333 OE2 GLU A 21 -1.325 -11.352 9.468 1.00 0.00 O ATOM 0 H GLU A 21 -1.156 -12.706 7.905 1.00 0.00 H new ATOM 0 HA GLU A 21 0.891 -11.519 6.452 1.00 0.00 H new ATOM 0 HB2 GLU A 21 1.048 -13.803 8.454 1.00 0.00 H new ATOM 0 HB3 GLU A 21 2.391 -12.796 7.950 1.00 0.00 H new ATOM 0 HG2 GLU A 21 1.761 -11.896 10.019 1.00 0.00 H new ATOM 0 HG3 GLU A 21 1.049 -10.798 8.854 1.00 0.00 H new ATOM 340 N GLU A 22 0.252 -14.640 5.678 1.00 0.00 N ATOM 341 CA GLU A 22 0.502 -15.688 4.693 1.00 0.00 C ATOM 342 C GLU A 22 0.427 -15.106 3.285 1.00 0.00 C ATOM 343 O GLU A 22 1.354 -15.248 2.501 1.00 0.00 O ATOM 344 CB GLU A 22 -0.509 -16.844 4.832 1.00 0.00 C ATOM 345 CG GLU A 22 -0.399 -17.878 3.723 1.00 0.00 C ATOM 346 CD GLU A 22 -1.632 -18.746 3.598 1.00 0.00 C ATOM 347 OE1 GLU A 22 -1.491 -19.943 3.288 1.00 0.00 O ATOM 348 OE2 GLU A 22 -2.758 -18.222 3.768 1.00 0.00 O ATOM 0 H GLU A 22 -0.547 -14.817 6.287 1.00 0.00 H new ATOM 0 HA GLU A 22 1.500 -16.087 4.873 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -0.358 -17.335 5.793 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -1.519 -16.435 4.838 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -0.223 -17.369 2.776 1.00 0.00 H new ATOM 0 HG3 GLU A 22 0.467 -18.512 3.910 1.00 0.00 H new ATOM 355 N ALA A 23 -0.673 -14.417 2.993 1.00 0.00 N ATOM 356 CA ALA A 23 -0.880 -13.820 1.675 1.00 0.00 C ATOM 357 C ALA A 23 0.122 -12.705 1.429 1.00 0.00 C ATOM 358 O ALA A 23 0.585 -12.502 0.302 1.00 0.00 O ATOM 359 CB ALA A 23 -2.310 -13.294 1.526 1.00 0.00 C ATOM 0 H ALA A 23 -1.436 -14.258 3.651 1.00 0.00 H new ATOM 0 HA ALA A 23 -0.725 -14.598 0.928 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -2.435 -12.855 0.536 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -3.015 -14.116 1.650 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -2.500 -12.535 2.285 1.00 0.00 H new ATOM 365 N GLU A 24 0.459 -11.999 2.496 1.00 0.00 N ATOM 366 CA GLU A 24 1.417 -10.899 2.431 1.00 0.00 C ATOM 367 C GLU A 24 2.782 -11.393 1.967 1.00 0.00 C ATOM 368 O GLU A 24 3.350 -10.862 1.016 1.00 0.00 O ATOM 369 CB GLU A 24 1.538 -10.199 3.801 1.00 0.00 C ATOM 370 CG GLU A 24 2.511 -9.033 3.822 1.00 0.00 C ATOM 371 CD GLU A 24 2.556 -8.349 5.171 1.00 0.00 C ATOM 372 OE1 GLU A 24 3.488 -8.622 5.959 1.00 0.00 O ATOM 373 OE2 GLU A 24 1.659 -7.533 5.453 1.00 0.00 O ATOM 0 H GLU A 24 0.081 -12.168 3.428 1.00 0.00 H new ATOM 0 HA GLU A 24 1.048 -10.176 1.703 1.00 0.00 H new ATOM 0 HB2 GLU A 24 0.553 -9.841 4.101 1.00 0.00 H new ATOM 0 HB3 GLU A 24 1.851 -10.932 4.544 1.00 0.00 H new ATOM 0 HG2 GLU A 24 3.508 -9.390 3.564 1.00 0.00 H new ATOM 0 HG3 GLU A 24 2.224 -8.309 3.059 1.00 0.00 H new ATOM 380 N LEU A 25 3.286 -12.431 2.616 1.00 0.00 N ATOM 381 CA LEU A 25 4.603 -12.965 2.295 1.00 0.00 C ATOM 382 C LEU A 25 4.572 -13.810 1.032 1.00 0.00 C ATOM 383 O LEU A 25 5.532 -13.806 0.250 1.00 0.00 O ATOM 384 CB LEU A 25 5.175 -13.773 3.467 1.00 0.00 C ATOM 385 CG LEU A 25 5.900 -12.964 4.559 1.00 0.00 C ATOM 386 CD1 LEU A 25 4.964 -11.986 5.254 1.00 0.00 C ATOM 387 CD2 LEU A 25 6.533 -13.896 5.568 1.00 0.00 C ATOM 0 H LEU A 25 2.804 -12.922 3.369 1.00 0.00 H new ATOM 0 HA LEU A 25 5.259 -12.114 2.113 1.00 0.00 H new ATOM 0 HB2 LEU A 25 4.359 -14.325 3.934 1.00 0.00 H new ATOM 0 HB3 LEU A 25 5.871 -14.511 3.068 1.00 0.00 H new ATOM 0 HG LEU A 25 6.681 -12.380 4.073 1.00 0.00 H new ATOM 0 HD11 LEU A 25 5.514 -11.435 6.017 1.00 0.00 H new ATOM 0 HD12 LEU A 25 4.560 -11.287 4.522 1.00 0.00 H new ATOM 0 HD13 LEU A 25 4.146 -12.535 5.721 1.00 0.00 H new ATOM 0 HD21 LEU A 25 7.042 -13.311 6.334 1.00 0.00 H new ATOM 0 HD22 LEU A 25 5.760 -14.508 6.033 1.00 0.00 H new ATOM 0 HD23 LEU A 25 7.254 -14.541 5.065 1.00 0.00 H new ATOM 399 N GLU A 26 3.473 -14.529 0.824 1.00 0.00 N ATOM 400 CA GLU A 26 3.315 -15.365 -0.360 1.00 0.00 C ATOM 401 C GLU A 26 3.406 -14.526 -1.632 1.00 0.00 C ATOM 402 O GLU A 26 3.904 -14.989 -2.657 1.00 0.00 O ATOM 403 CB GLU A 26 1.994 -16.135 -0.307 1.00 0.00 C ATOM 404 CG GLU A 26 1.809 -17.124 -1.440 1.00 0.00 C ATOM 405 CD GLU A 26 0.634 -18.045 -1.215 1.00 0.00 C ATOM 406 OE1 GLU A 26 -0.518 -17.601 -1.393 1.00 0.00 O ATOM 407 OE2 GLU A 26 0.853 -19.222 -0.850 1.00 0.00 O ATOM 0 H GLU A 26 2.677 -14.549 1.462 1.00 0.00 H new ATOM 0 HA GLU A 26 4.129 -16.090 -0.376 1.00 0.00 H new ATOM 0 HB2 GLU A 26 1.935 -16.670 0.641 1.00 0.00 H new ATOM 0 HB3 GLU A 26 1.169 -15.422 -0.323 1.00 0.00 H new ATOM 0 HG2 GLU A 26 1.667 -16.580 -2.374 1.00 0.00 H new ATOM 0 HG3 GLU A 26 2.716 -17.718 -1.552 1.00 0.00 H new ATOM 414 N ARG A 27 2.936 -13.284 -1.549 1.00 0.00 N ATOM 415 CA ARG A 27 3.025 -12.359 -2.677 1.00 0.00 C ATOM 416 C ARG A 27 4.479 -12.190 -3.110 1.00 0.00 C ATOM 417 O ARG A 27 4.798 -12.282 -4.294 1.00 0.00 O ATOM 418 CB ARG A 27 2.431 -10.989 -2.324 1.00 0.00 C ATOM 419 CG ARG A 27 2.629 -9.953 -3.413 1.00 0.00 C ATOM 420 CD ARG A 27 2.186 -8.583 -2.958 1.00 0.00 C ATOM 421 NE ARG A 27 2.518 -7.556 -3.936 1.00 0.00 N ATOM 422 CZ ARG A 27 2.101 -6.296 -3.866 1.00 0.00 C ATOM 423 NH1 ARG A 27 1.353 -5.898 -2.844 1.00 0.00 N ATOM 424 NH2 ARG A 27 2.444 -5.431 -4.811 1.00 0.00 N ATOM 0 H ARG A 27 2.492 -12.896 -0.717 1.00 0.00 H new ATOM 0 HA ARG A 27 2.448 -12.783 -3.499 1.00 0.00 H new ATOM 0 HB2 ARG A 27 1.365 -11.102 -2.129 1.00 0.00 H new ATOM 0 HB3 ARG A 27 2.887 -10.629 -1.402 1.00 0.00 H new ATOM 0 HG2 ARG A 27 3.680 -9.921 -3.699 1.00 0.00 H new ATOM 0 HG3 ARG A 27 2.066 -10.243 -4.300 1.00 0.00 H new ATOM 0 HD2 ARG A 27 1.110 -8.587 -2.786 1.00 0.00 H new ATOM 0 HD3 ARG A 27 2.660 -8.345 -2.006 1.00 0.00 H new ATOM 0 HE ARG A 27 3.108 -7.821 -4.725 1.00 0.00 H new ATOM 0 HH11 ARG A 27 1.097 -6.560 -2.111 1.00 0.00 H new ATOM 0 HH12 ARG A 27 1.034 -4.931 -2.792 1.00 0.00 H new ATOM 0 HH21 ARG A 27 3.028 -5.733 -5.591 1.00 0.00 H new ATOM 0 HH22 ARG A 27 2.124 -4.464 -4.758 1.00 0.00 H new ATOM 438 N LEU A 28 5.360 -11.962 -2.138 1.00 0.00 N ATOM 439 CA LEU A 28 6.785 -11.798 -2.425 1.00 0.00 C ATOM 440 C LEU A 28 7.364 -13.078 -2.998 1.00 0.00 C ATOM 441 O LEU A 28 8.229 -13.040 -3.856 1.00 0.00 O ATOM 442 CB LEU A 28 7.589 -11.363 -1.179 1.00 0.00 C ATOM 443 CG LEU A 28 7.396 -9.909 -0.699 1.00 0.00 C ATOM 444 CD1 LEU A 28 7.624 -8.926 -1.834 1.00 0.00 C ATOM 445 CD2 LEU A 28 6.026 -9.706 -0.076 1.00 0.00 C ATOM 0 H LEU A 28 5.115 -11.887 -1.151 1.00 0.00 H new ATOM 0 HA LEU A 28 6.870 -11.001 -3.164 1.00 0.00 H new ATOM 0 HB2 LEU A 28 7.328 -12.030 -0.357 1.00 0.00 H new ATOM 0 HB3 LEU A 28 8.648 -11.514 -1.388 1.00 0.00 H new ATOM 0 HG LEU A 28 8.142 -9.717 0.072 1.00 0.00 H new ATOM 0 HD11 LEU A 28 7.482 -7.909 -1.469 1.00 0.00 H new ATOM 0 HD12 LEU A 28 8.640 -9.037 -2.213 1.00 0.00 H new ATOM 0 HD13 LEU A 28 6.914 -9.126 -2.637 1.00 0.00 H new ATOM 0 HD21 LEU A 28 5.925 -8.671 0.251 1.00 0.00 H new ATOM 0 HD22 LEU A 28 5.254 -9.931 -0.812 1.00 0.00 H new ATOM 0 HD23 LEU A 28 5.914 -10.370 0.781 1.00 0.00 H new ATOM 457 N LYS A 29 6.887 -14.212 -2.502 1.00 0.00 N ATOM 458 CA LYS A 29 7.316 -15.513 -3.012 1.00 0.00 C ATOM 459 C LYS A 29 6.915 -15.676 -4.480 1.00 0.00 C ATOM 460 O LYS A 29 7.635 -16.275 -5.269 1.00 0.00 O ATOM 461 CB LYS A 29 6.700 -16.645 -2.178 1.00 0.00 C ATOM 462 CG LYS A 29 7.048 -16.580 -0.698 1.00 0.00 C ATOM 463 CD LYS A 29 6.330 -17.660 0.121 1.00 0.00 C ATOM 464 CE LYS A 29 6.967 -19.043 -0.035 1.00 0.00 C ATOM 465 NZ LYS A 29 6.625 -19.707 -1.324 1.00 0.00 N ATOM 0 H LYS A 29 6.203 -14.260 -1.747 1.00 0.00 H new ATOM 0 HA LYS A 29 8.402 -15.565 -2.936 1.00 0.00 H new ATOM 0 HB2 LYS A 29 5.616 -16.616 -2.288 1.00 0.00 H new ATOM 0 HB3 LYS A 29 7.035 -17.602 -2.578 1.00 0.00 H new ATOM 0 HG2 LYS A 29 8.125 -16.692 -0.576 1.00 0.00 H new ATOM 0 HG3 LYS A 29 6.783 -15.597 -0.308 1.00 0.00 H new ATOM 0 HD2 LYS A 29 6.339 -17.377 1.174 1.00 0.00 H new ATOM 0 HD3 LYS A 29 5.286 -17.709 -0.187 1.00 0.00 H new ATOM 0 HE2 LYS A 29 8.050 -18.947 0.040 1.00 0.00 H new ATOM 0 HE3 LYS A 29 6.645 -19.679 0.790 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 6.554 -20.734 -1.177 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 5.715 -19.343 -1.671 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 7.367 -19.508 -2.025 1.00 0.00 H new ATOM 479 N SER A 30 5.769 -15.129 -4.832 1.00 0.00 N ATOM 480 CA SER A 30 5.269 -15.220 -6.195 1.00 0.00 C ATOM 481 C SER A 30 5.996 -14.231 -7.114 1.00 0.00 C ATOM 482 O SER A 30 6.413 -14.588 -8.218 1.00 0.00 O ATOM 483 CB SER A 30 3.747 -14.976 -6.232 1.00 0.00 C ATOM 484 OG SER A 30 3.223 -15.161 -7.539 1.00 0.00 O ATOM 0 H SER A 30 5.163 -14.615 -4.193 1.00 0.00 H new ATOM 0 HA SER A 30 5.466 -16.228 -6.560 1.00 0.00 H new ATOM 0 HB2 SER A 30 3.251 -15.657 -5.540 1.00 0.00 H new ATOM 0 HB3 SER A 30 3.531 -13.963 -5.892 1.00 0.00 H new ATOM 0 HG SER A 30 2.256 -15.001 -7.530 1.00 0.00 H new ATOM 490 N GLU A 31 6.158 -12.998 -6.649 1.00 0.00 N ATOM 491 CA GLU A 31 6.805 -11.961 -7.448 1.00 0.00 C ATOM 492 C GLU A 31 8.315 -12.157 -7.525 1.00 0.00 C ATOM 493 O GLU A 31 8.950 -11.773 -8.508 1.00 0.00 O ATOM 494 CB GLU A 31 6.489 -10.571 -6.897 1.00 0.00 C ATOM 495 CG GLU A 31 5.018 -10.196 -6.967 1.00 0.00 C ATOM 496 CD GLU A 31 4.789 -8.717 -6.757 1.00 0.00 C ATOM 497 OE1 GLU A 31 4.440 -8.312 -5.636 1.00 0.00 O ATOM 498 OE2 GLU A 31 4.959 -7.949 -7.724 1.00 0.00 O ATOM 0 H GLU A 31 5.852 -12.691 -5.726 1.00 0.00 H new ATOM 0 HA GLU A 31 6.404 -12.044 -8.458 1.00 0.00 H new ATOM 0 HB2 GLU A 31 6.817 -10.520 -5.859 1.00 0.00 H new ATOM 0 HB3 GLU A 31 7.068 -9.832 -7.451 1.00 0.00 H new ATOM 0 HG2 GLU A 31 4.617 -10.489 -7.938 1.00 0.00 H new ATOM 0 HG3 GLU A 31 4.467 -10.757 -6.212 1.00 0.00 H new ATOM 505 N ARG A 32 8.883 -12.751 -6.495 1.00 0.00 N ATOM 506 CA ARG A 32 10.312 -12.979 -6.433 1.00 0.00 C ATOM 507 C ARG A 32 10.599 -14.463 -6.236 1.00 0.00 C ATOM 508 O ARG A 32 10.499 -14.979 -5.122 1.00 0.00 O ATOM 509 CB ARG A 32 10.931 -12.156 -5.297 1.00 0.00 C ATOM 510 CG ARG A 32 10.844 -10.651 -5.508 1.00 0.00 C ATOM 511 CD ARG A 32 11.187 -9.882 -4.239 1.00 0.00 C ATOM 512 NE ARG A 32 12.514 -10.225 -3.721 1.00 0.00 N ATOM 513 CZ ARG A 32 12.995 -9.808 -2.541 1.00 0.00 C ATOM 514 NH1 ARG A 32 12.284 -8.987 -1.777 1.00 0.00 N ATOM 515 NH2 ARG A 32 14.194 -10.200 -2.136 1.00 0.00 N ATOM 0 H ARG A 32 8.369 -13.088 -5.681 1.00 0.00 H new ATOM 0 HA ARG A 32 10.761 -12.661 -7.374 1.00 0.00 H new ATOM 0 HB2 ARG A 32 10.432 -12.412 -4.362 1.00 0.00 H new ATOM 0 HB3 ARG A 32 11.978 -12.438 -5.186 1.00 0.00 H new ATOM 0 HG2 ARG A 32 11.524 -10.356 -6.307 1.00 0.00 H new ATOM 0 HG3 ARG A 32 9.837 -10.387 -5.832 1.00 0.00 H new ATOM 0 HD2 ARG A 32 11.145 -8.812 -4.443 1.00 0.00 H new ATOM 0 HD3 ARG A 32 10.437 -10.091 -3.476 1.00 0.00 H new ATOM 0 HE ARG A 32 13.111 -10.820 -4.296 1.00 0.00 H new ATOM 0 HH11 ARG A 32 11.365 -8.669 -2.087 1.00 0.00 H new ATOM 0 HH12 ARG A 32 12.656 -8.674 -0.880 1.00 0.00 H new ATOM 0 HH21 ARG A 32 14.753 -10.820 -2.722 1.00 0.00 H new ATOM 0 HH22 ARG A 32 14.558 -9.882 -1.238 1.00 0.00 H new ATOM 529 N HIS A 33 10.953 -15.138 -7.324 1.00 0.00 N ATOM 530 CA HIS A 33 11.218 -16.582 -7.308 1.00 0.00 C ATOM 531 C HIS A 33 12.340 -16.942 -6.328 1.00 0.00 C ATOM 532 O HIS A 33 12.298 -17.992 -5.687 1.00 0.00 O ATOM 533 CB HIS A 33 11.568 -17.070 -8.720 1.00 0.00 C ATOM 534 CG HIS A 33 11.673 -18.564 -8.853 1.00 0.00 C ATOM 535 ND1 HIS A 33 10.664 -19.344 -9.376 1.00 0.00 N ATOM 536 CD2 HIS A 33 12.677 -19.419 -8.543 1.00 0.00 C ATOM 537 CE1 HIS A 33 11.044 -20.609 -9.381 1.00 0.00 C ATOM 538 NE2 HIS A 33 12.258 -20.679 -8.882 1.00 0.00 N ATOM 0 H HIS A 33 11.066 -14.707 -8.241 1.00 0.00 H new ATOM 0 HA HIS A 33 10.311 -17.083 -6.969 1.00 0.00 H new ATOM 0 HB2 HIS A 33 10.810 -16.708 -9.415 1.00 0.00 H new ATOM 0 HB3 HIS A 33 12.516 -16.623 -9.021 1.00 0.00 H new ATOM 0 HD2 HIS A 33 13.631 -19.156 -8.109 1.00 0.00 H new ATOM 0 HE1 HIS A 33 10.457 -21.444 -9.735 1.00 0.00 H new ATOM 0 HE2 HIS A 33 12.801 -21.534 -8.766 1.00 0.00 H new ATOM 546 N ASP A 34 13.339 -16.081 -6.221 1.00 0.00 N ATOM 547 CA ASP A 34 14.445 -16.326 -5.288 1.00 0.00 C ATOM 548 C ASP A 34 13.946 -16.229 -3.858 1.00 0.00 C ATOM 549 O ASP A 34 14.185 -17.116 -3.040 1.00 0.00 O ATOM 550 CB ASP A 34 15.609 -15.343 -5.511 1.00 0.00 C ATOM 551 CG ASP A 34 16.750 -15.561 -4.531 1.00 0.00 C ATOM 552 OD1 ASP A 34 17.606 -16.429 -4.796 1.00 0.00 O ATOM 553 OD2 ASP A 34 16.802 -14.851 -3.497 1.00 0.00 O ATOM 0 H ASP A 34 13.414 -15.216 -6.757 1.00 0.00 H new ATOM 0 HA ASP A 34 14.823 -17.331 -5.475 1.00 0.00 H new ATOM 0 HB2 ASP A 34 15.983 -15.452 -6.529 1.00 0.00 H new ATOM 0 HB3 ASP A 34 15.241 -14.321 -5.414 1.00 0.00 H new ATOM 558 N HIS A 35 13.217 -15.159 -3.575 1.00 0.00 N ATOM 559 CA HIS A 35 12.663 -14.933 -2.234 1.00 0.00 C ATOM 560 C HIS A 35 11.656 -16.031 -1.885 1.00 0.00 C ATOM 561 O HIS A 35 11.405 -16.304 -0.716 1.00 0.00 O ATOM 562 CB HIS A 35 11.996 -13.541 -2.142 1.00 0.00 C ATOM 563 CG HIS A 35 11.654 -13.110 -0.742 1.00 0.00 C ATOM 564 ND1 HIS A 35 12.469 -12.292 0.009 1.00 0.00 N ATOM 565 CD2 HIS A 35 10.578 -13.372 0.035 1.00 0.00 C ATOM 566 CE1 HIS A 35 11.912 -12.073 1.183 1.00 0.00 C ATOM 567 NE2 HIS A 35 10.764 -12.715 1.227 1.00 0.00 N ATOM 0 H HIS A 35 12.991 -14.430 -4.251 1.00 0.00 H new ATOM 0 HA HIS A 35 13.482 -14.966 -1.515 1.00 0.00 H new ATOM 0 HB2 HIS A 35 12.663 -12.801 -2.585 1.00 0.00 H new ATOM 0 HB3 HIS A 35 11.085 -13.547 -2.741 1.00 0.00 H new ATOM 0 HD2 HIS A 35 9.730 -13.984 -0.232 1.00 0.00 H new ATOM 0 HE1 HIS A 35 12.328 -11.468 1.976 1.00 0.00 H new ATOM 0 HE2 HIS A 35 10.118 -12.723 2.017 1.00 0.00 H new ATOM 575 N ASP A 36 11.089 -16.649 -2.916 1.00 0.00 N ATOM 576 CA ASP A 36 10.121 -17.745 -2.748 1.00 0.00 C ATOM 577 C ASP A 36 10.683 -18.876 -1.898 1.00 0.00 C ATOM 578 O ASP A 36 10.106 -19.230 -0.868 1.00 0.00 O ATOM 579 CB ASP A 36 9.658 -18.296 -4.111 1.00 0.00 C ATOM 580 CG ASP A 36 8.849 -19.569 -3.978 1.00 0.00 C ATOM 581 OD1 ASP A 36 7.650 -19.480 -3.666 1.00 0.00 O ATOM 582 OD2 ASP A 36 9.418 -20.664 -4.189 1.00 0.00 O ATOM 0 H ASP A 36 11.281 -16.411 -3.889 1.00 0.00 H new ATOM 0 HA ASP A 36 9.261 -17.324 -2.227 1.00 0.00 H new ATOM 0 HB2 ASP A 36 9.059 -17.541 -4.620 1.00 0.00 H new ATOM 0 HB3 ASP A 36 10.530 -18.487 -4.737 1.00 0.00 H new ATOM 587 N LYS A 37 11.816 -19.425 -2.317 1.00 0.00 N ATOM 588 CA LYS A 37 12.432 -20.541 -1.596 1.00 0.00 C ATOM 589 C LYS A 37 12.945 -20.085 -0.240 1.00 0.00 C ATOM 590 O LYS A 37 12.743 -20.759 0.771 1.00 0.00 O ATOM 591 CB LYS A 37 13.580 -21.173 -2.415 1.00 0.00 C ATOM 592 CG LYS A 37 14.311 -22.291 -1.683 1.00 0.00 C ATOM 593 CD LYS A 37 15.404 -22.904 -2.546 1.00 0.00 C ATOM 594 CE LYS A 37 16.238 -23.907 -1.758 1.00 0.00 C ATOM 595 NZ LYS A 37 15.410 -24.998 -1.183 1.00 0.00 N ATOM 0 H LYS A 37 12.327 -19.121 -3.146 1.00 0.00 H new ATOM 0 HA LYS A 37 11.665 -21.300 -1.445 1.00 0.00 H new ATOM 0 HB2 LYS A 37 13.176 -21.565 -3.348 1.00 0.00 H new ATOM 0 HB3 LYS A 37 14.296 -20.395 -2.680 1.00 0.00 H new ATOM 0 HG2 LYS A 37 14.748 -21.900 -0.764 1.00 0.00 H new ATOM 0 HG3 LYS A 37 13.599 -23.064 -1.393 1.00 0.00 H new ATOM 0 HD2 LYS A 37 14.955 -23.399 -3.407 1.00 0.00 H new ATOM 0 HD3 LYS A 37 16.050 -22.115 -2.932 1.00 0.00 H new ATOM 0 HE2 LYS A 37 16.999 -24.336 -2.410 1.00 0.00 H new ATOM 0 HE3 LYS A 37 16.762 -23.389 -0.955 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 16.027 -25.692 -0.714 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 14.745 -24.600 -0.489 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 14.877 -25.467 -1.943 1.00 0.00 H new ATOM 609 N LYS A 38 13.587 -18.929 -0.226 1.00 0.00 N ATOM 610 CA LYS A 38 14.151 -18.376 1.005 1.00 0.00 C ATOM 611 C LYS A 38 13.083 -18.147 2.064 1.00 0.00 C ATOM 612 O LYS A 38 13.247 -18.550 3.209 1.00 0.00 O ATOM 613 CB LYS A 38 14.909 -17.069 0.746 1.00 0.00 C ATOM 614 CG LYS A 38 16.321 -17.241 0.189 1.00 0.00 C ATOM 615 CD LYS A 38 16.337 -17.939 -1.159 1.00 0.00 C ATOM 616 CE LYS A 38 17.698 -17.829 -1.825 1.00 0.00 C ATOM 617 NZ LYS A 38 18.778 -18.371 -0.971 1.00 0.00 N ATOM 0 H LYS A 38 13.734 -18.350 -1.053 1.00 0.00 H new ATOM 0 HA LYS A 38 14.856 -19.119 1.379 1.00 0.00 H new ATOM 0 HB2 LYS A 38 14.331 -16.463 0.048 1.00 0.00 H new ATOM 0 HB3 LYS A 38 14.969 -16.510 1.680 1.00 0.00 H new ATOM 0 HG2 LYS A 38 16.791 -16.262 0.093 1.00 0.00 H new ATOM 0 HG3 LYS A 38 16.920 -17.814 0.897 1.00 0.00 H new ATOM 0 HD2 LYS A 38 16.078 -18.990 -1.029 1.00 0.00 H new ATOM 0 HD3 LYS A 38 15.577 -17.501 -1.806 1.00 0.00 H new ATOM 0 HE2 LYS A 38 17.682 -18.366 -2.774 1.00 0.00 H new ATOM 0 HE3 LYS A 38 17.906 -16.784 -2.054 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 19.654 -18.450 -1.527 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 18.936 -17.734 -0.164 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 18.505 -19.311 -0.621 1.00 0.00 H new ATOM 631 N GLU A 39 11.984 -17.520 1.672 1.00 0.00 N ATOM 632 CA GLU A 39 10.913 -17.206 2.621 1.00 0.00 C ATOM 633 C GLU A 39 10.193 -18.472 3.044 1.00 0.00 C ATOM 634 O GLU A 39 9.764 -18.600 4.192 1.00 0.00 O ATOM 635 CB GLU A 39 9.904 -16.217 2.022 1.00 0.00 C ATOM 636 CG GLU A 39 8.998 -15.576 3.056 1.00 0.00 C ATOM 637 CD GLU A 39 9.754 -14.642 3.973 1.00 0.00 C ATOM 638 OE1 GLU A 39 9.905 -13.455 3.616 1.00 0.00 O ATOM 639 OE2 GLU A 39 10.215 -15.083 5.045 1.00 0.00 O ATOM 0 H GLU A 39 11.806 -17.219 0.714 1.00 0.00 H new ATOM 0 HA GLU A 39 11.374 -16.741 3.493 1.00 0.00 H new ATOM 0 HB2 GLU A 39 10.446 -15.435 1.490 1.00 0.00 H new ATOM 0 HB3 GLU A 39 9.291 -16.737 1.286 1.00 0.00 H new ATOM 0 HG2 GLU A 39 8.205 -15.024 2.551 1.00 0.00 H new ATOM 0 HG3 GLU A 39 8.517 -16.354 3.648 1.00 0.00 H new ATOM 646 N ALA A 40 10.066 -19.408 2.114 1.00 0.00 N ATOM 647 CA ALA A 40 9.396 -20.674 2.389 1.00 0.00 C ATOM 648 C ALA A 40 10.089 -21.411 3.521 1.00 0.00 C ATOM 649 O ALA A 40 9.448 -21.821 4.491 1.00 0.00 O ATOM 650 CB ALA A 40 9.340 -21.554 1.139 1.00 0.00 C ATOM 0 H ALA A 40 10.418 -19.316 1.161 1.00 0.00 H new ATOM 0 HA ALA A 40 8.373 -20.450 2.692 1.00 0.00 H new ATOM 0 HB1 ALA A 40 8.835 -22.490 1.376 1.00 0.00 H new ATOM 0 HB2 ALA A 40 8.792 -21.035 0.353 1.00 0.00 H new ATOM 0 HB3 ALA A 40 10.353 -21.765 0.797 1.00 0.00 H new ATOM 656 N GLU A 41 11.400 -21.557 3.399 1.00 0.00 N ATOM 657 CA GLU A 41 12.192 -22.253 4.404 1.00 0.00 C ATOM 658 C GLU A 41 12.383 -21.390 5.649 1.00 0.00 C ATOM 659 O GLU A 41 12.551 -21.910 6.758 1.00 0.00 O ATOM 660 CB GLU A 41 13.548 -22.659 3.829 1.00 0.00 C ATOM 661 CG GLU A 41 13.448 -23.527 2.587 1.00 0.00 C ATOM 662 CD GLU A 41 14.797 -23.951 2.059 1.00 0.00 C ATOM 663 OE1 GLU A 41 15.421 -23.175 1.307 1.00 0.00 O ATOM 664 OE2 GLU A 41 15.242 -25.070 2.382 1.00 0.00 O ATOM 0 H GLU A 41 11.940 -21.201 2.610 1.00 0.00 H new ATOM 0 HA GLU A 41 11.649 -23.153 4.694 1.00 0.00 H new ATOM 0 HB2 GLU A 41 14.115 -21.760 3.589 1.00 0.00 H new ATOM 0 HB3 GLU A 41 14.111 -23.196 4.593 1.00 0.00 H new ATOM 0 HG2 GLU A 41 12.857 -24.414 2.816 1.00 0.00 H new ATOM 0 HG3 GLU A 41 12.914 -22.981 1.810 1.00 0.00 H new ATOM 671 N ARG A 42 12.360 -20.076 5.467 1.00 0.00 N ATOM 672 CA ARG A 42 12.525 -19.151 6.587 1.00 0.00 C ATOM 673 C ARG A 42 11.315 -19.201 7.509 1.00 0.00 C ATOM 674 O ARG A 42 11.458 -19.374 8.724 1.00 0.00 O ATOM 675 CB ARG A 42 12.790 -17.709 6.105 1.00 0.00 C ATOM 676 CG ARG A 42 13.043 -16.727 7.236 1.00 0.00 C ATOM 677 CD ARG A 42 13.701 -15.449 6.733 1.00 0.00 C ATOM 678 NE ARG A 42 12.838 -14.669 5.838 1.00 0.00 N ATOM 679 CZ ARG A 42 13.195 -13.497 5.299 1.00 0.00 C ATOM 680 NH1 ARG A 42 14.413 -13.010 5.511 1.00 0.00 N ATOM 681 NH2 ARG A 42 12.344 -12.823 4.544 1.00 0.00 N ATOM 0 H ARG A 42 12.230 -19.626 4.561 1.00 0.00 H new ATOM 0 HA ARG A 42 13.402 -19.471 7.150 1.00 0.00 H new ATOM 0 HB2 ARG A 42 13.651 -17.711 5.437 1.00 0.00 H new ATOM 0 HB3 ARG A 42 11.935 -17.367 5.522 1.00 0.00 H new ATOM 0 HG2 ARG A 42 12.100 -16.483 7.725 1.00 0.00 H new ATOM 0 HG3 ARG A 42 13.680 -17.193 7.988 1.00 0.00 H new ATOM 0 HD2 ARG A 42 13.981 -14.832 7.587 1.00 0.00 H new ATOM 0 HD3 ARG A 42 14.622 -15.704 6.208 1.00 0.00 H new ATOM 0 HE ARG A 42 11.915 -15.041 5.614 1.00 0.00 H new ATOM 0 HH11 ARG A 42 15.077 -13.529 6.085 1.00 0.00 H new ATOM 0 HH12 ARG A 42 14.684 -12.117 5.100 1.00 0.00 H new ATOM 0 HH21 ARG A 42 11.411 -13.196 4.370 1.00 0.00 H new ATOM 0 HH22 ARG A 42 12.621 -11.930 4.136 1.00 0.00 H new ATOM 695 N LYS A 43 10.124 -19.075 6.940 1.00 0.00 N ATOM 696 CA LYS A 43 8.909 -19.136 7.741 1.00 0.00 C ATOM 697 C LYS A 43 8.675 -20.536 8.275 1.00 0.00 C ATOM 698 O LYS A 43 8.039 -20.707 9.301 1.00 0.00 O ATOM 699 CB LYS A 43 7.680 -18.653 6.968 1.00 0.00 C ATOM 700 CG LYS A 43 7.666 -17.156 6.679 1.00 0.00 C ATOM 701 CD LYS A 43 7.848 -16.320 7.952 1.00 0.00 C ATOM 702 CE LYS A 43 6.838 -16.684 9.046 1.00 0.00 C ATOM 703 NZ LYS A 43 5.431 -16.472 8.622 1.00 0.00 N ATOM 0 H LYS A 43 9.973 -18.932 5.941 1.00 0.00 H new ATOM 0 HA LYS A 43 9.057 -18.459 8.582 1.00 0.00 H new ATOM 0 HB2 LYS A 43 7.625 -19.194 6.023 1.00 0.00 H new ATOM 0 HB3 LYS A 43 6.785 -18.910 7.535 1.00 0.00 H new ATOM 0 HG2 LYS A 43 8.460 -16.916 5.972 1.00 0.00 H new ATOM 0 HG3 LYS A 43 6.723 -16.888 6.202 1.00 0.00 H new ATOM 0 HD2 LYS A 43 8.859 -16.462 8.334 1.00 0.00 H new ATOM 0 HD3 LYS A 43 7.746 -15.263 7.706 1.00 0.00 H new ATOM 0 HE2 LYS A 43 6.975 -17.728 9.328 1.00 0.00 H new ATOM 0 HE3 LYS A 43 7.039 -16.085 9.934 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 4.958 -15.834 9.294 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 5.415 -16.048 7.672 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 4.933 -17.385 8.602 1.00 0.00 H new ATOM 717 N ALA A 44 9.195 -21.534 7.574 1.00 0.00 N ATOM 718 CA ALA A 44 9.069 -22.921 8.028 1.00 0.00 C ATOM 719 C ALA A 44 9.698 -23.087 9.408 1.00 0.00 C ATOM 720 O ALA A 44 9.096 -23.662 10.311 1.00 0.00 O ATOM 721 CB ALA A 44 9.702 -23.889 7.030 1.00 0.00 C ATOM 0 H ALA A 44 9.704 -21.417 6.698 1.00 0.00 H new ATOM 0 HA ALA A 44 8.007 -23.159 8.096 1.00 0.00 H new ATOM 0 HB1 ALA A 44 9.593 -24.910 7.394 1.00 0.00 H new ATOM 0 HB2 ALA A 44 9.205 -23.793 6.065 1.00 0.00 H new ATOM 0 HB3 ALA A 44 10.761 -23.655 6.918 1.00 0.00 H new ATOM 727 N LEU A 45 10.898 -22.545 9.569 1.00 0.00 N ATOM 728 CA LEU A 45 11.607 -22.608 10.844 1.00 0.00 C ATOM 729 C LEU A 45 10.921 -21.719 11.879 1.00 0.00 C ATOM 730 O LEU A 45 10.869 -22.046 13.066 1.00 0.00 O ATOM 731 CB LEU A 45 13.067 -22.163 10.660 1.00 0.00 C ATOM 732 CG LEU A 45 13.929 -22.147 11.926 1.00 0.00 C ATOM 733 CD1 LEU A 45 14.094 -23.548 12.491 1.00 0.00 C ATOM 734 CD2 LEU A 45 15.283 -21.522 11.640 1.00 0.00 C ATOM 0 H LEU A 45 11.404 -22.055 8.831 1.00 0.00 H new ATOM 0 HA LEU A 45 11.590 -23.638 11.199 1.00 0.00 H new ATOM 0 HB2 LEU A 45 13.538 -22.823 9.932 1.00 0.00 H new ATOM 0 HB3 LEU A 45 13.069 -21.161 10.230 1.00 0.00 H new ATOM 0 HG LEU A 45 13.420 -21.541 12.675 1.00 0.00 H new ATOM 0 HD11 LEU A 45 14.710 -23.508 13.389 1.00 0.00 H new ATOM 0 HD12 LEU A 45 13.115 -23.957 12.740 1.00 0.00 H new ATOM 0 HD13 LEU A 45 14.575 -24.185 11.749 1.00 0.00 H new ATOM 0 HD21 LEU A 45 15.882 -21.519 12.551 1.00 0.00 H new ATOM 0 HD22 LEU A 45 15.795 -22.100 10.871 1.00 0.00 H new ATOM 0 HD23 LEU A 45 15.145 -20.498 11.293 1.00 0.00 H new ATOM 746 N GLU A 46 10.384 -20.610 11.413 1.00 0.00 N ATOM 747 CA GLU A 46 9.720 -19.640 12.283 1.00 0.00 C ATOM 748 C GLU A 46 8.380 -20.175 12.809 1.00 0.00 C ATOM 749 O GLU A 46 8.098 -20.106 14.003 1.00 0.00 O ATOM 750 CB GLU A 46 9.512 -18.303 11.537 1.00 0.00 C ATOM 751 CG GLU A 46 8.830 -17.222 12.360 1.00 0.00 C ATOM 752 CD GLU A 46 9.539 -16.944 13.665 1.00 0.00 C ATOM 753 OE1 GLU A 46 10.666 -16.410 13.636 1.00 0.00 O ATOM 754 OE2 GLU A 46 8.967 -17.255 14.731 1.00 0.00 O ATOM 0 H GLU A 46 10.391 -20.349 10.427 1.00 0.00 H new ATOM 0 HA GLU A 46 10.367 -19.469 13.143 1.00 0.00 H new ATOM 0 HB2 GLU A 46 10.482 -17.932 11.205 1.00 0.00 H new ATOM 0 HB3 GLU A 46 8.919 -18.489 10.642 1.00 0.00 H new ATOM 0 HG2 GLU A 46 8.781 -16.303 11.775 1.00 0.00 H new ATOM 0 HG3 GLU A 46 7.803 -17.523 12.567 1.00 0.00 H new ATOM 761 N ASP A 47 7.572 -20.720 11.921 1.00 0.00 N ATOM 762 CA ASP A 47 6.241 -21.201 12.300 1.00 0.00 C ATOM 763 C ASP A 47 6.279 -22.520 13.049 1.00 0.00 C ATOM 764 O ASP A 47 5.534 -22.709 14.011 1.00 0.00 O ATOM 765 CB ASP A 47 5.292 -21.276 11.099 1.00 0.00 C ATOM 766 CG ASP A 47 4.768 -19.909 10.709 1.00 0.00 C ATOM 767 OD1 ASP A 47 4.038 -19.303 11.523 1.00 0.00 O ATOM 768 OD2 ASP A 47 5.073 -19.431 9.603 1.00 0.00 O ATOM 0 H ASP A 47 7.804 -20.844 10.936 1.00 0.00 H new ATOM 0 HA ASP A 47 5.845 -20.457 12.992 1.00 0.00 H new ATOM 0 HB2 ASP A 47 5.813 -21.721 10.251 1.00 0.00 H new ATOM 0 HB3 ASP A 47 4.455 -21.932 11.338 1.00 0.00 H new ATOM 773 N LYS A 48 7.140 -23.430 12.626 1.00 0.00 N ATOM 774 CA LYS A 48 7.259 -24.719 13.310 1.00 0.00 C ATOM 775 C LYS A 48 7.999 -24.570 14.630 1.00 0.00 C ATOM 776 O LYS A 48 7.833 -25.384 15.538 1.00 0.00 O ATOM 777 CB LYS A 48 7.969 -25.761 12.437 1.00 0.00 C ATOM 778 CG LYS A 48 7.189 -26.170 11.202 1.00 0.00 C ATOM 779 CD LYS A 48 7.902 -27.275 10.439 1.00 0.00 C ATOM 780 CE LYS A 48 7.090 -27.743 9.240 1.00 0.00 C ATOM 781 NZ LYS A 48 6.896 -26.663 8.238 1.00 0.00 N ATOM 0 H LYS A 48 7.761 -23.310 11.826 1.00 0.00 H new ATOM 0 HA LYS A 48 6.245 -25.068 13.507 1.00 0.00 H new ATOM 0 HB2 LYS A 48 8.935 -25.362 12.128 1.00 0.00 H new ATOM 0 HB3 LYS A 48 8.168 -26.648 13.038 1.00 0.00 H new ATOM 0 HG2 LYS A 48 6.195 -26.509 11.493 1.00 0.00 H new ATOM 0 HG3 LYS A 48 7.053 -25.306 10.552 1.00 0.00 H new ATOM 0 HD2 LYS A 48 8.875 -26.916 10.103 1.00 0.00 H new ATOM 0 HD3 LYS A 48 8.086 -28.118 11.106 1.00 0.00 H new ATOM 0 HE2 LYS A 48 7.594 -28.587 8.769 1.00 0.00 H new ATOM 0 HE3 LYS A 48 6.118 -28.101 9.579 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 6.668 -27.083 7.314 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 6.115 -26.046 8.540 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 7.769 -26.103 8.158 1.00 0.00 H new ATOM 795 N LEU A 49 8.815 -23.508 14.732 1.00 0.00 N ATOM 796 CA LEU A 49 9.625 -23.242 15.920 1.00 0.00 C ATOM 797 C LEU A 49 10.585 -24.417 16.196 1.00 0.00 C ATOM 798 O LEU A 49 11.108 -24.580 17.305 1.00 0.00 O ATOM 799 CB LEU A 49 8.713 -22.969 17.120 1.00 0.00 C ATOM 800 CG LEU A 49 9.382 -22.443 18.386 1.00 0.00 C ATOM 801 CD1 LEU A 49 10.187 -21.184 18.091 1.00 0.00 C ATOM 802 CD2 LEU A 49 8.330 -22.162 19.431 1.00 0.00 C ATOM 0 H LEU A 49 8.928 -22.815 13.992 1.00 0.00 H new ATOM 0 HA LEU A 49 10.235 -22.356 15.746 1.00 0.00 H new ATOM 0 HB2 LEU A 49 7.954 -22.250 16.813 1.00 0.00 H new ATOM 0 HB3 LEU A 49 8.193 -23.894 17.369 1.00 0.00 H new ATOM 0 HG LEU A 49 10.070 -23.200 18.761 1.00 0.00 H new ATOM 0 HD11 LEU A 49 10.655 -20.828 19.009 1.00 0.00 H new ATOM 0 HD12 LEU A 49 10.958 -21.410 17.355 1.00 0.00 H new ATOM 0 HD13 LEU A 49 9.525 -20.413 17.698 1.00 0.00 H new ATOM 0 HD21 LEU A 49 8.807 -21.786 20.336 1.00 0.00 H new ATOM 0 HD22 LEU A 49 7.631 -21.416 19.053 1.00 0.00 H new ATOM 0 HD23 LEU A 49 7.790 -23.081 19.660 1.00 0.00 H new ATOM 814 N ALA A 50 10.825 -25.208 15.165 1.00 0.00 N ATOM 815 CA ALA A 50 11.691 -26.365 15.250 1.00 0.00 C ATOM 816 C ALA A 50 12.428 -26.549 13.938 1.00 0.00 C ATOM 817 O ALA A 50 11.975 -26.068 12.897 1.00 0.00 O ATOM 818 CB ALA A 50 10.879 -27.609 15.582 1.00 0.00 C ATOM 0 H ALA A 50 10.420 -25.062 14.240 1.00 0.00 H new ATOM 0 HA ALA A 50 12.419 -26.208 16.046 1.00 0.00 H new ATOM 0 HB1 ALA A 50 11.543 -28.471 15.643 1.00 0.00 H new ATOM 0 HB2 ALA A 50 10.376 -27.470 16.539 1.00 0.00 H new ATOM 0 HB3 ALA A 50 10.136 -27.777 14.802 1.00 0.00 H new ATOM 824 N ASP A 51 13.555 -27.239 13.980 1.00 0.00 N ATOM 825 CA ASP A 51 14.352 -27.465 12.777 1.00 0.00 C ATOM 826 C ASP A 51 13.871 -28.690 12.028 1.00 0.00 C ATOM 827 O ASP A 51 14.185 -28.872 10.846 1.00 0.00 O ATOM 828 CB ASP A 51 15.835 -27.625 13.125 1.00 0.00 C ATOM 829 CG ASP A 51 16.504 -26.317 13.478 1.00 0.00 C ATOM 830 OD1 ASP A 51 17.045 -25.655 12.565 1.00 0.00 O ATOM 831 OD2 ASP A 51 16.506 -25.946 14.670 1.00 0.00 O ATOM 0 H ASP A 51 13.941 -27.653 14.829 1.00 0.00 H new ATOM 0 HA ASP A 51 14.231 -26.591 12.137 1.00 0.00 H new ATOM 0 HB2 ASP A 51 15.933 -28.315 13.963 1.00 0.00 H new ATOM 0 HB3 ASP A 51 16.354 -28.075 12.279 1.00 0.00 H new ATOM 836 N TYR A 52 13.109 -29.526 12.705 1.00 0.00 N ATOM 837 CA TYR A 52 12.611 -30.754 12.118 1.00 0.00 C ATOM 838 C TYR A 52 11.153 -30.947 12.471 1.00 0.00 C ATOM 839 O TYR A 52 10.303 -30.836 11.571 1.00 0.00 O ATOM 840 CB TYR A 52 13.435 -31.959 12.593 1.00 0.00 C ATOM 841 CG TYR A 52 14.904 -31.859 12.250 1.00 0.00 C ATOM 842 CD1 TYR A 52 15.849 -31.565 13.225 1.00 0.00 C ATOM 843 CD2 TYR A 52 15.341 -32.041 10.948 1.00 0.00 C ATOM 844 CE1 TYR A 52 17.188 -31.455 12.909 1.00 0.00 C ATOM 845 CE2 TYR A 52 16.678 -31.939 10.624 1.00 0.00 C ATOM 846 CZ TYR A 52 17.595 -31.644 11.606 1.00 0.00 C ATOM 847 OH TYR A 52 18.929 -31.530 11.280 1.00 0.00 O ATOM 848 OXT TYR A 52 10.858 -31.188 13.654 1.00 0.00 O ATOM 0 H TYR A 52 12.819 -29.375 13.671 1.00 0.00 H new ATOM 0 HA TYR A 52 12.707 -30.679 11.035 1.00 0.00 H new ATOM 0 HB2 TYR A 52 13.328 -32.059 13.673 1.00 0.00 H new ATOM 0 HB3 TYR A 52 13.027 -32.866 12.147 1.00 0.00 H new ATOM 0 HD1 TYR A 52 15.531 -31.420 14.247 1.00 0.00 H new ATOM 0 HD2 TYR A 52 14.623 -32.267 10.174 1.00 0.00 H new ATOM 0 HE1 TYR A 52 17.911 -31.223 13.677 1.00 0.00 H new ATOM 0 HE2 TYR A 52 17.003 -32.090 9.605 1.00 0.00 H new ATOM 0 HH TYR A 52 19.047 -31.694 10.321 1.00 0.00 H new TER 858 TYR A 52