USER MOD reduce.3.24.130724 H: found=0, std=0, add=561, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 562 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 4 SER OG : rot 180:sc= 0 USER MOD Single : A 8 ASN : amide:sc= -0.153 X(o=-0.15,f=-0.15) USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 THR OG1 : rot -80:sc= 1.25 USER MOD Single : A 15 LYS NZ :NH3+ -137:sc= 1.27 (180deg=-0.633) USER MOD Single : A 16 ASN : amide:sc= -0.0302 X(o=-0.03,f=-0.03) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 GLN : amide:sc= 0 X(o=0,f=-0.016) USER MOD Single : A 26 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=-0.021) USER MOD Single : A 34 MET CE :methyl 166:sc= 0 (180deg=-0.102) USER MOD Single : A 36 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 ASN : amide:sc= 0.11 K(o=0.11,f=-8.4!) USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 THR OG1 : rot 101:sc= 0.569 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 THR OG1 : rot 92:sc= 0.0572 USER MOD ----------------------------------------------------------------- ATOM 40 N ALA A 3 11.174 4.931 3.819 1.00 0.00 N ATOM 41 CA ALA A 3 10.271 4.253 4.724 1.00 0.00 C ATOM 42 C ALA A 3 10.693 4.560 6.157 1.00 0.00 C ATOM 43 O ALA A 3 9.994 5.241 6.897 1.00 0.00 O ATOM 44 CB ALA A 3 10.295 2.750 4.419 1.00 0.00 C ATOM 0 HA ALA A 3 9.246 4.600 4.595 1.00 0.00 H new ATOM 0 HB1 ALA A 3 9.617 2.230 5.096 1.00 0.00 H new ATOM 0 HB2 ALA A 3 9.978 2.583 3.390 1.00 0.00 H new ATOM 0 HB3 ALA A 3 11.307 2.367 4.554 1.00 0.00 H new ATOM 50 N SER A 4 11.795 3.929 6.562 1.00 0.00 N ATOM 51 CA SER A 4 12.062 3.359 7.869 1.00 0.00 C ATOM 52 C SER A 4 10.899 2.492 8.285 1.00 0.00 C ATOM 53 O SER A 4 11.005 1.279 8.205 1.00 0.00 O ATOM 54 CB SER A 4 12.471 4.414 8.902 1.00 0.00 C ATOM 55 OG SER A 4 13.782 4.850 8.595 1.00 0.00 O ATOM 0 H SER A 4 12.583 3.796 5.928 1.00 0.00 H new ATOM 0 HA SER A 4 12.938 2.713 7.807 1.00 0.00 H new ATOM 0 HB2 SER A 4 11.777 5.254 8.882 1.00 0.00 H new ATOM 0 HB3 SER A 4 12.436 3.995 9.908 1.00 0.00 H new ATOM 0 HG SER A 4 14.062 5.528 9.245 1.00 0.00 H new ATOM 61 N GLU A 5 9.780 3.110 8.594 1.00 0.00 N ATOM 62 CA GLU A 5 8.643 2.499 9.287 1.00 0.00 C ATOM 63 C GLU A 5 8.153 1.291 8.482 1.00 0.00 C ATOM 64 O GLU A 5 8.126 0.161 8.953 1.00 0.00 O ATOM 65 CB GLU A 5 7.560 3.552 9.611 1.00 0.00 C ATOM 66 CG GLU A 5 6.774 4.086 8.403 1.00 0.00 C ATOM 67 CD GLU A 5 6.052 5.408 8.686 1.00 0.00 C ATOM 68 OE1 GLU A 5 4.936 5.407 9.255 1.00 0.00 O ATOM 69 OE2 GLU A 5 6.572 6.459 8.234 1.00 0.00 O ATOM 0 H GLU A 5 9.621 4.091 8.365 1.00 0.00 H new ATOM 0 HA GLU A 5 8.945 2.116 10.262 1.00 0.00 H new ATOM 0 HB2 GLU A 5 6.854 3.116 10.318 1.00 0.00 H new ATOM 0 HB3 GLU A 5 8.036 4.394 10.114 1.00 0.00 H new ATOM 0 HG2 GLU A 5 7.458 4.226 7.566 1.00 0.00 H new ATOM 0 HG3 GLU A 5 6.042 3.339 8.095 1.00 0.00 H new ATOM 76 N LEU A 6 7.915 1.501 7.191 1.00 0.00 N ATOM 77 CA LEU A 6 7.376 0.497 6.283 1.00 0.00 C ATOM 78 C LEU A 6 8.332 -0.642 5.944 1.00 0.00 C ATOM 79 O LEU A 6 7.892 -1.623 5.354 1.00 0.00 O ATOM 80 CB LEU A 6 6.979 1.203 4.986 1.00 0.00 C ATOM 81 CG LEU A 6 5.605 1.879 5.076 1.00 0.00 C ATOM 82 CD1 LEU A 6 5.532 2.927 3.963 1.00 0.00 C ATOM 83 CD2 LEU A 6 4.487 0.846 4.960 1.00 0.00 C ATOM 0 H LEU A 6 8.096 2.396 6.737 1.00 0.00 H new ATOM 0 HA LEU A 6 6.532 0.035 6.795 1.00 0.00 H new ATOM 0 HB2 LEU A 6 7.732 1.952 4.740 1.00 0.00 H new ATOM 0 HB3 LEU A 6 6.970 0.479 4.171 1.00 0.00 H new ATOM 0 HG LEU A 6 5.475 2.365 6.043 1.00 0.00 H new ATOM 0 HD11 LEU A 6 4.565 3.428 3.998 1.00 0.00 H new ATOM 0 HD12 LEU A 6 6.326 3.661 4.101 1.00 0.00 H new ATOM 0 HD13 LEU A 6 5.653 2.439 2.996 1.00 0.00 H new ATOM 0 HD21 LEU A 6 3.521 1.346 5.026 1.00 0.00 H new ATOM 0 HD22 LEU A 6 4.564 0.332 4.002 1.00 0.00 H new ATOM 0 HD23 LEU A 6 4.576 0.121 5.769 1.00 0.00 H new ATOM 95 N ARG A 7 9.628 -0.530 6.239 1.00 0.00 N ATOM 96 CA ARG A 7 10.555 -1.640 6.234 1.00 0.00 C ATOM 97 C ARG A 7 10.877 -2.154 7.639 1.00 0.00 C ATOM 98 O ARG A 7 11.526 -3.188 7.759 1.00 0.00 O ATOM 99 CB ARG A 7 11.795 -1.217 5.446 1.00 0.00 C ATOM 100 CG ARG A 7 12.818 -0.215 6.003 1.00 0.00 C ATOM 101 CD ARG A 7 13.644 -0.648 7.224 1.00 0.00 C ATOM 102 NE ARG A 7 14.745 0.302 7.470 1.00 0.00 N ATOM 103 CZ ARG A 7 15.887 0.068 8.129 1.00 0.00 C ATOM 104 NH1 ARG A 7 16.144 -1.109 8.696 1.00 0.00 N ATOM 105 NH2 ARG A 7 16.766 1.062 8.192 1.00 0.00 N ATOM 0 H ARG A 7 10.062 0.358 6.492 1.00 0.00 H new ATOM 0 HA ARG A 7 10.095 -2.497 5.743 1.00 0.00 H new ATOM 0 HB2 ARG A 7 12.345 -2.129 5.214 1.00 0.00 H new ATOM 0 HB3 ARG A 7 11.440 -0.809 4.500 1.00 0.00 H new ATOM 0 HG2 ARG A 7 13.511 0.039 5.201 1.00 0.00 H new ATOM 0 HG3 ARG A 7 12.285 0.699 6.265 1.00 0.00 H new ATOM 0 HD2 ARG A 7 13.002 -0.704 8.103 1.00 0.00 H new ATOM 0 HD3 ARG A 7 14.048 -1.647 7.061 1.00 0.00 H new ATOM 0 HE ARG A 7 14.623 1.243 7.096 1.00 0.00 H new ATOM 0 HH11 ARG A 7 15.461 -1.864 8.635 1.00 0.00 H new ATOM 0 HH12 ARG A 7 17.024 -1.255 9.191 1.00 0.00 H new ATOM 0 HH21 ARG A 7 16.557 1.957 7.749 1.00 0.00 H new ATOM 0 HH22 ARG A 7 17.650 0.931 8.683 1.00 0.00 H new ATOM 119 N ASN A 8 10.495 -1.401 8.668 1.00 0.00 N ATOM 120 CA ASN A 8 10.874 -1.623 10.065 1.00 0.00 C ATOM 121 C ASN A 8 9.965 -2.635 10.754 1.00 0.00 C ATOM 122 O ASN A 8 10.409 -3.259 11.722 1.00 0.00 O ATOM 123 CB ASN A 8 10.876 -0.323 10.886 1.00 0.00 C ATOM 124 CG ASN A 8 11.217 -0.588 12.351 1.00 0.00 C ATOM 125 OD1 ASN A 8 12.312 -1.046 12.674 1.00 0.00 O ATOM 126 ND2 ASN A 8 10.306 -0.301 13.258 1.00 0.00 N ATOM 0 H ASN A 8 9.890 -0.588 8.549 1.00 0.00 H new ATOM 0 HA ASN A 8 11.889 -2.019 10.027 1.00 0.00 H new ATOM 0 HB2 ASN A 8 11.599 0.375 10.463 1.00 0.00 H new ATOM 0 HB3 ASN A 8 9.897 0.153 10.819 1.00 0.00 H new ATOM 0 HD21 ASN A 8 10.503 -0.458 14.246 1.00 0.00 H new ATOM 0 HD22 ASN A 8 9.403 0.078 12.972 1.00 0.00 H new ATOM 133 N TYR A 9 8.733 -2.828 10.275 1.00 0.00 N ATOM 134 CA TYR A 9 7.872 -3.881 10.751 1.00 0.00 C ATOM 135 C TYR A 9 8.544 -5.249 10.551 1.00 0.00 C ATOM 136 O TYR A 9 9.532 -5.354 9.821 1.00 0.00 O ATOM 137 CB TYR A 9 6.481 -3.670 10.144 1.00 0.00 C ATOM 138 CG TYR A 9 5.843 -2.358 10.545 1.00 0.00 C ATOM 139 CD1 TYR A 9 5.556 -2.101 11.898 1.00 0.00 C ATOM 140 CD2 TYR A 9 5.596 -1.375 9.569 1.00 0.00 C ATOM 141 CE1 TYR A 9 5.064 -0.841 12.283 1.00 0.00 C ATOM 142 CE2 TYR A 9 5.103 -0.112 9.946 1.00 0.00 C ATOM 143 CZ TYR A 9 4.857 0.164 11.310 1.00 0.00 C ATOM 144 OH TYR A 9 4.430 1.398 11.697 1.00 0.00 O ATOM 0 H TYR A 9 8.316 -2.250 9.545 1.00 0.00 H new ATOM 0 HA TYR A 9 7.712 -3.854 11.829 1.00 0.00 H new ATOM 0 HB2 TYR A 9 6.557 -3.711 9.057 1.00 0.00 H new ATOM 0 HB3 TYR A 9 5.831 -4.490 10.450 1.00 0.00 H new ATOM 0 HD1 TYR A 9 5.713 -2.870 12.640 1.00 0.00 H new ATOM 0 HD2 TYR A 9 5.785 -1.590 8.528 1.00 0.00 H new ATOM 0 HE1 TYR A 9 4.844 -0.641 13.321 1.00 0.00 H new ATOM 0 HE2 TYR A 9 4.914 0.642 9.197 1.00 0.00 H new ATOM 0 HH TYR A 9 4.338 1.974 10.910 1.00 0.00 H new ATOM 154 N THR A 10 8.074 -6.288 11.234 1.00 0.00 N ATOM 155 CA THR A 10 8.609 -7.632 11.050 1.00 0.00 C ATOM 156 C THR A 10 7.993 -8.265 9.800 1.00 0.00 C ATOM 157 O THR A 10 6.967 -7.790 9.337 1.00 0.00 O ATOM 158 CB THR A 10 8.320 -8.469 12.291 1.00 0.00 C ATOM 159 OG1 THR A 10 6.942 -8.645 12.534 1.00 0.00 O ATOM 160 CG2 THR A 10 8.962 -7.919 13.563 1.00 0.00 C ATOM 0 H THR A 10 7.323 -6.224 11.921 1.00 0.00 H new ATOM 0 HA THR A 10 9.689 -7.586 10.911 1.00 0.00 H new ATOM 0 HB THR A 10 8.771 -9.433 12.056 1.00 0.00 H new ATOM 0 HG1 THR A 10 6.580 -7.841 12.963 1.00 0.00 H new ATOM 0 HG21 THR A 10 8.714 -8.565 14.405 1.00 0.00 H new ATOM 0 HG22 THR A 10 10.044 -7.885 13.439 1.00 0.00 H new ATOM 0 HG23 THR A 10 8.587 -6.914 13.754 1.00 0.00 H new ATOM 168 N ASP A 11 8.551 -9.344 9.241 1.00 0.00 N ATOM 169 CA ASP A 11 8.103 -9.891 7.946 1.00 0.00 C ATOM 170 C ASP A 11 6.611 -10.252 7.938 1.00 0.00 C ATOM 171 O ASP A 11 5.981 -10.201 6.882 1.00 0.00 O ATOM 172 CB ASP A 11 8.967 -11.097 7.522 1.00 0.00 C ATOM 173 CG ASP A 11 10.106 -10.785 6.539 1.00 0.00 C ATOM 174 OD1 ASP A 11 10.122 -9.704 5.910 1.00 0.00 O ATOM 175 OD2 ASP A 11 10.976 -11.662 6.323 1.00 0.00 O ATOM 0 H ASP A 11 9.320 -9.863 9.665 1.00 0.00 H new ATOM 0 HA ASP A 11 8.236 -9.097 7.211 1.00 0.00 H new ATOM 0 HB2 ASP A 11 9.397 -11.546 8.417 1.00 0.00 H new ATOM 0 HB3 ASP A 11 8.317 -11.846 7.071 1.00 0.00 H new ATOM 180 N GLU A 12 6.049 -10.571 9.105 1.00 0.00 N ATOM 181 CA GLU A 12 4.650 -10.904 9.336 1.00 0.00 C ATOM 182 C GLU A 12 3.757 -9.659 9.413 1.00 0.00 C ATOM 183 O GLU A 12 2.626 -9.652 8.930 1.00 0.00 O ATOM 184 CB GLU A 12 4.595 -11.674 10.663 1.00 0.00 C ATOM 185 CG GLU A 12 3.256 -12.374 10.936 1.00 0.00 C ATOM 186 CD GLU A 12 3.010 -13.559 9.998 1.00 0.00 C ATOM 187 OE1 GLU A 12 2.819 -13.355 8.782 1.00 0.00 O ATOM 188 OE2 GLU A 12 2.984 -14.711 10.493 1.00 0.00 O ATOM 0 H GLU A 12 6.596 -10.605 9.965 1.00 0.00 H new ATOM 0 HA GLU A 12 4.273 -11.497 8.503 1.00 0.00 H new ATOM 0 HB2 GLU A 12 5.389 -12.421 10.669 1.00 0.00 H new ATOM 0 HB3 GLU A 12 4.802 -10.982 11.479 1.00 0.00 H new ATOM 0 HG2 GLU A 12 3.236 -12.722 11.969 1.00 0.00 H new ATOM 0 HG3 GLU A 12 2.445 -11.654 10.827 1.00 0.00 H new ATOM 195 N GLU A 13 4.238 -8.594 10.044 1.00 0.00 N ATOM 196 CA GLU A 13 3.574 -7.292 10.052 1.00 0.00 C ATOM 197 C GLU A 13 3.641 -6.641 8.670 1.00 0.00 C ATOM 198 O GLU A 13 2.644 -6.155 8.156 1.00 0.00 O ATOM 199 CB GLU A 13 4.306 -6.407 11.052 1.00 0.00 C ATOM 200 CG GLU A 13 4.053 -6.826 12.491 1.00 0.00 C ATOM 201 CD GLU A 13 4.933 -5.997 13.408 1.00 0.00 C ATOM 202 OE1 GLU A 13 6.167 -6.203 13.352 1.00 0.00 O ATOM 203 OE2 GLU A 13 4.431 -5.144 14.176 1.00 0.00 O ATOM 0 H GLU A 13 5.111 -8.609 10.572 1.00 0.00 H new ATOM 0 HA GLU A 13 2.525 -7.416 10.323 1.00 0.00 H new ATOM 0 HB2 GLU A 13 5.376 -6.443 10.849 1.00 0.00 H new ATOM 0 HB3 GLU A 13 3.990 -5.373 10.917 1.00 0.00 H new ATOM 0 HG2 GLU A 13 3.003 -6.683 12.746 1.00 0.00 H new ATOM 0 HG3 GLU A 13 4.270 -7.887 12.618 1.00 0.00 H new ATOM 210 N LEU A 14 4.821 -6.645 8.045 1.00 0.00 N ATOM 211 CA LEU A 14 5.116 -6.002 6.775 1.00 0.00 C ATOM 212 C LEU A 14 4.109 -6.488 5.748 1.00 0.00 C ATOM 213 O LEU A 14 3.383 -5.678 5.182 1.00 0.00 O ATOM 214 CB LEU A 14 6.564 -6.293 6.327 1.00 0.00 C ATOM 215 CG LEU A 14 7.639 -5.647 7.221 1.00 0.00 C ATOM 216 CD1 LEU A 14 8.994 -6.343 7.066 1.00 0.00 C ATOM 217 CD2 LEU A 14 7.852 -4.159 6.978 1.00 0.00 C ATOM 0 H LEU A 14 5.633 -7.122 8.436 1.00 0.00 H new ATOM 0 HA LEU A 14 5.034 -4.920 6.881 1.00 0.00 H new ATOM 0 HB2 LEU A 14 6.719 -7.372 6.312 1.00 0.00 H new ATOM 0 HB3 LEU A 14 6.695 -5.938 5.305 1.00 0.00 H new ATOM 0 HG LEU A 14 7.247 -5.771 8.230 1.00 0.00 H new ATOM 0 HD11 LEU A 14 9.727 -5.860 7.712 1.00 0.00 H new ATOM 0 HD12 LEU A 14 8.898 -7.392 7.347 1.00 0.00 H new ATOM 0 HD13 LEU A 14 9.322 -6.273 6.029 1.00 0.00 H new ATOM 0 HD21 LEU A 14 8.626 -3.788 7.650 1.00 0.00 H new ATOM 0 HD22 LEU A 14 8.162 -4.000 5.945 1.00 0.00 H new ATOM 0 HD23 LEU A 14 6.921 -3.623 7.164 1.00 0.00 H new ATOM 229 N LYS A 15 4.021 -7.800 5.511 1.00 0.00 N ATOM 230 CA LYS A 15 3.009 -8.351 4.630 1.00 0.00 C ATOM 231 C LYS A 15 1.642 -7.850 5.028 1.00 0.00 C ATOM 232 O LYS A 15 0.952 -7.336 4.170 1.00 0.00 O ATOM 233 CB LYS A 15 3.045 -9.881 4.563 1.00 0.00 C ATOM 234 CG LYS A 15 3.004 -10.660 5.894 1.00 0.00 C ATOM 235 CD LYS A 15 1.610 -11.201 6.285 1.00 0.00 C ATOM 236 CE LYS A 15 1.281 -12.532 5.597 1.00 0.00 C ATOM 237 NZ LYS A 15 1.708 -13.706 6.389 1.00 0.00 N ATOM 0 H LYS A 15 4.644 -8.495 5.922 1.00 0.00 H new ATOM 0 HA LYS A 15 3.234 -8.001 3.622 1.00 0.00 H new ATOM 0 HB2 LYS A 15 2.201 -10.210 3.956 1.00 0.00 H new ATOM 0 HB3 LYS A 15 3.952 -10.172 4.032 1.00 0.00 H new ATOM 0 HG2 LYS A 15 3.699 -11.498 5.830 1.00 0.00 H new ATOM 0 HG3 LYS A 15 3.362 -10.009 6.691 1.00 0.00 H new ATOM 0 HD2 LYS A 15 1.566 -11.334 7.366 1.00 0.00 H new ATOM 0 HD3 LYS A 15 0.851 -10.463 6.023 1.00 0.00 H new ATOM 0 HE2 LYS A 15 0.207 -12.589 5.421 1.00 0.00 H new ATOM 0 HE3 LYS A 15 1.766 -12.561 4.621 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 2.150 -14.407 5.760 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 2.395 -13.407 7.111 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 0.880 -14.131 6.854 1.00 0.00 H new ATOM 251 N ASN A 16 1.261 -7.948 6.293 1.00 0.00 N ATOM 252 CA ASN A 16 -0.093 -7.653 6.733 1.00 0.00 C ATOM 253 C ASN A 16 -0.468 -6.177 6.606 1.00 0.00 C ATOM 254 O ASN A 16 -1.644 -5.840 6.682 1.00 0.00 O ATOM 255 CB ASN A 16 -0.191 -8.100 8.191 1.00 0.00 C ATOM 256 CG ASN A 16 -1.602 -8.014 8.747 1.00 0.00 C ATOM 257 OD1 ASN A 16 -2.519 -8.624 8.198 1.00 0.00 O ATOM 258 ND2 ASN A 16 -1.775 -7.387 9.889 1.00 0.00 N ATOM 0 H ASN A 16 1.886 -8.236 7.046 1.00 0.00 H new ATOM 0 HA ASN A 16 -0.795 -8.184 6.091 1.00 0.00 H new ATOM 0 HB2 ASN A 16 0.164 -9.127 8.275 1.00 0.00 H new ATOM 0 HB3 ASN A 16 0.471 -7.483 8.799 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -2.688 -7.398 10.344 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -0.996 -6.890 10.321 1.00 0.00 H new ATOM 265 N LEU A 17 0.510 -5.308 6.355 1.00 0.00 N ATOM 266 CA LEU A 17 0.284 -3.869 6.189 1.00 0.00 C ATOM 267 C LEU A 17 0.327 -3.533 4.711 1.00 0.00 C ATOM 268 O LEU A 17 -0.500 -2.789 4.186 1.00 0.00 O ATOM 269 CB LEU A 17 1.354 -3.031 6.920 1.00 0.00 C ATOM 270 CG LEU A 17 0.861 -2.422 8.243 1.00 0.00 C ATOM 271 CD1 LEU A 17 0.799 -3.475 9.349 1.00 0.00 C ATOM 272 CD2 LEU A 17 1.799 -1.290 8.675 1.00 0.00 C ATOM 0 H LEU A 17 1.488 -5.582 6.260 1.00 0.00 H new ATOM 0 HA LEU A 17 -0.688 -3.628 6.619 1.00 0.00 H new ATOM 0 HB2 LEU A 17 2.222 -3.660 7.120 1.00 0.00 H new ATOM 0 HB3 LEU A 17 1.687 -2.228 6.262 1.00 0.00 H new ATOM 0 HG LEU A 17 -0.144 -2.032 8.080 1.00 0.00 H new ATOM 0 HD11 LEU A 17 0.447 -3.013 10.272 1.00 0.00 H new ATOM 0 HD12 LEU A 17 0.113 -4.270 9.056 1.00 0.00 H new ATOM 0 HD13 LEU A 17 1.793 -3.894 9.509 1.00 0.00 H new ATOM 0 HD21 LEU A 17 1.445 -0.862 9.613 1.00 0.00 H new ATOM 0 HD22 LEU A 17 2.806 -1.684 8.813 1.00 0.00 H new ATOM 0 HD23 LEU A 17 1.815 -0.517 7.907 1.00 0.00 H new ATOM 284 N LEU A 18 1.342 -4.053 4.030 1.00 0.00 N ATOM 285 CA LEU A 18 1.606 -3.715 2.653 1.00 0.00 C ATOM 286 C LEU A 18 0.591 -4.419 1.760 1.00 0.00 C ATOM 287 O LEU A 18 0.185 -3.834 0.748 1.00 0.00 O ATOM 288 CB LEU A 18 3.064 -4.043 2.258 1.00 0.00 C ATOM 289 CG LEU A 18 4.254 -3.620 3.169 1.00 0.00 C ATOM 290 CD1 LEU A 18 5.429 -3.056 2.376 1.00 0.00 C ATOM 291 CD2 LEU A 18 3.972 -2.646 4.324 1.00 0.00 C ATOM 0 H LEU A 18 2.002 -4.722 4.427 1.00 0.00 H new ATOM 0 HA LEU A 18 1.494 -2.639 2.519 1.00 0.00 H new ATOM 0 HB2 LEU A 18 3.126 -5.124 2.133 1.00 0.00 H new ATOM 0 HB3 LEU A 18 3.238 -3.598 1.278 1.00 0.00 H new ATOM 0 HG LEU A 18 4.487 -4.579 3.632 1.00 0.00 H new ATOM 0 HD11 LEU A 18 6.230 -2.777 3.061 1.00 0.00 H new ATOM 0 HD12 LEU A 18 5.793 -3.811 1.679 1.00 0.00 H new ATOM 0 HD13 LEU A 18 5.104 -2.176 1.821 1.00 0.00 H new ATOM 0 HD21 LEU A 18 4.896 -2.447 4.866 1.00 0.00 H new ATOM 0 HD22 LEU A 18 3.578 -1.712 3.924 1.00 0.00 H new ATOM 0 HD23 LEU A 18 3.242 -3.087 5.002 1.00 0.00 H new ATOM 303 N GLU A 19 0.130 -5.605 2.179 1.00 0.00 N ATOM 304 CA GLU A 19 -1.045 -6.237 1.601 1.00 0.00 C ATOM 305 C GLU A 19 -2.245 -5.303 1.714 1.00 0.00 C ATOM 306 O GLU A 19 -2.984 -5.174 0.741 1.00 0.00 O ATOM 307 CB GLU A 19 -1.306 -7.626 2.225 1.00 0.00 C ATOM 308 CG GLU A 19 -2.038 -7.656 3.576 1.00 0.00 C ATOM 309 CD GLU A 19 -3.566 -7.585 3.447 1.00 0.00 C ATOM 310 OE1 GLU A 19 -4.139 -8.287 2.577 1.00 0.00 O ATOM 311 OE2 GLU A 19 -4.221 -6.897 4.263 1.00 0.00 O ATOM 0 H GLU A 19 0.565 -6.145 2.926 1.00 0.00 H new ATOM 0 HA GLU A 19 -0.866 -6.416 0.541 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -1.885 -8.214 1.513 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -0.346 -8.128 2.348 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -1.768 -8.569 4.106 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -1.694 -6.820 4.185 1.00 0.00 H new ATOM 318 N GLU A 20 -2.415 -4.638 2.864 1.00 0.00 N ATOM 319 CA GLU A 20 -3.609 -3.884 3.201 1.00 0.00 C ATOM 320 C GLU A 20 -3.766 -2.713 2.244 1.00 0.00 C ATOM 321 O GLU A 20 -4.820 -2.542 1.646 1.00 0.00 O ATOM 322 CB GLU A 20 -3.595 -3.439 4.670 1.00 0.00 C ATOM 323 CG GLU A 20 -5.008 -3.080 5.134 1.00 0.00 C ATOM 324 CD GLU A 20 -4.998 -2.477 6.536 1.00 0.00 C ATOM 325 OE1 GLU A 20 -4.815 -3.230 7.519 1.00 0.00 O ATOM 326 OE2 GLU A 20 -5.247 -1.254 6.641 1.00 0.00 O ATOM 0 H GLU A 20 -1.705 -4.615 3.596 1.00 0.00 H new ATOM 0 HA GLU A 20 -4.479 -4.530 3.087 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -3.193 -4.237 5.294 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -2.937 -2.578 4.789 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -5.453 -2.372 4.435 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -5.633 -3.973 5.125 1.00 0.00 H new ATOM 333 N LYS A 21 -2.708 -1.934 2.020 1.00 0.00 N ATOM 334 CA LYS A 21 -2.627 -0.899 1.023 1.00 0.00 C ATOM 335 C LYS A 21 -2.942 -1.519 -0.337 1.00 0.00 C ATOM 336 O LYS A 21 -3.914 -1.091 -0.962 1.00 0.00 O ATOM 337 CB LYS A 21 -1.239 -0.242 1.172 1.00 0.00 C ATOM 338 CG LYS A 21 -1.004 0.380 2.569 1.00 0.00 C ATOM 339 CD LYS A 21 -2.000 1.450 3.046 1.00 0.00 C ATOM 340 CE LYS A 21 -1.785 2.860 2.487 1.00 0.00 C ATOM 341 NZ LYS A 21 -2.761 3.798 3.089 1.00 0.00 N ATOM 0 H LYS A 21 -1.849 -2.022 2.562 1.00 0.00 H new ATOM 0 HA LYS A 21 -3.357 -0.098 1.139 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -0.469 -0.989 0.980 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -1.128 0.533 0.413 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -1.002 -0.428 3.301 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -0.007 0.821 2.578 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -3.007 1.125 2.783 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -1.956 1.501 4.134 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -0.769 3.193 2.699 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -1.898 2.851 1.403 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -2.608 4.752 2.704 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -3.727 3.485 2.865 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -2.634 3.816 4.121 1.00 0.00 H new ATOM 355 N LYS A 22 -2.155 -2.485 -0.837 1.00 0.00 N ATOM 356 CA LYS A 22 -2.416 -3.076 -2.150 1.00 0.00 C ATOM 357 C LYS A 22 -3.888 -3.469 -2.334 1.00 0.00 C ATOM 358 O LYS A 22 -4.447 -3.058 -3.358 1.00 0.00 O ATOM 359 CB LYS A 22 -1.465 -4.259 -2.392 1.00 0.00 C ATOM 360 CG LYS A 22 -1.513 -4.735 -3.855 1.00 0.00 C ATOM 361 CD LYS A 22 -0.643 -5.974 -4.102 1.00 0.00 C ATOM 362 CE LYS A 22 -1.319 -7.233 -3.545 1.00 0.00 C ATOM 363 NZ LYS A 22 -0.432 -8.414 -3.576 1.00 0.00 N ATOM 0 H LYS A 22 -1.342 -2.867 -0.354 1.00 0.00 H new ATOM 0 HA LYS A 22 -2.218 -2.317 -2.907 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -0.447 -3.966 -2.138 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -1.734 -5.083 -1.732 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -2.544 -4.960 -4.126 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -1.181 -3.927 -4.507 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -0.467 -6.093 -5.171 1.00 0.00 H new ATOM 0 HD3 LYS A 22 0.331 -5.840 -3.631 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -1.635 -7.047 -2.519 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -2.219 -7.444 -4.123 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -0.936 -9.237 -3.189 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -0.150 -8.611 -4.558 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 0.416 -8.227 -3.003 1.00 0.00 H new ATOM 377 N ARG A 23 -4.511 -4.206 -1.401 1.00 0.00 N ATOM 378 CA ARG A 23 -5.940 -4.509 -1.484 1.00 0.00 C ATOM 379 C ARG A 23 -6.735 -3.216 -1.478 1.00 0.00 C ATOM 380 O ARG A 23 -7.469 -2.998 -2.433 1.00 0.00 O ATOM 381 CB ARG A 23 -6.449 -5.534 -0.441 1.00 0.00 C ATOM 382 CG ARG A 23 -6.369 -5.144 1.043 1.00 0.00 C ATOM 383 CD ARG A 23 -6.920 -6.170 2.045 1.00 0.00 C ATOM 384 NE ARG A 23 -8.377 -6.360 1.922 1.00 0.00 N ATOM 385 CZ ARG A 23 -9.226 -6.758 2.881 1.00 0.00 C ATOM 386 NH1 ARG A 23 -8.780 -7.202 4.048 1.00 0.00 N ATOM 387 NH2 ARG A 23 -10.533 -6.724 2.644 1.00 0.00 N ATOM 0 H ARG A 23 -4.045 -4.600 -0.584 1.00 0.00 H new ATOM 0 HA ARG A 23 -6.100 -5.022 -2.432 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -7.490 -5.759 -0.673 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -5.886 -6.457 -0.576 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -5.325 -4.950 1.290 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -6.909 -4.207 1.180 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -6.419 -7.126 1.892 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -6.684 -5.845 3.058 1.00 0.00 H new ATOM 0 HE ARG A 23 -8.784 -6.168 1.007 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -7.777 -7.245 4.228 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -9.440 -7.501 4.766 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -10.879 -6.398 1.742 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -11.190 -7.024 3.364 1.00 0.00 H new ATOM 401 N GLN A 24 -6.577 -2.344 -0.479 1.00 0.00 N ATOM 402 CA GLN A 24 -7.382 -1.164 -0.233 1.00 0.00 C ATOM 403 C GLN A 24 -7.612 -0.393 -1.501 1.00 0.00 C ATOM 404 O GLN A 24 -8.752 -0.068 -1.793 1.00 0.00 O ATOM 405 CB GLN A 24 -6.715 -0.225 0.778 1.00 0.00 C ATOM 406 CG GLN A 24 -7.228 -0.411 2.211 1.00 0.00 C ATOM 407 CD GLN A 24 -7.856 0.862 2.788 1.00 0.00 C ATOM 408 OE1 GLN A 24 -7.221 1.917 2.849 1.00 0.00 O ATOM 409 NE2 GLN A 24 -9.107 0.808 3.214 1.00 0.00 N ATOM 0 H GLN A 24 -5.838 -2.457 0.215 1.00 0.00 H new ATOM 0 HA GLN A 24 -8.331 -1.518 0.169 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -5.638 -0.391 0.761 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -6.884 0.807 0.471 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -7.966 -1.213 2.226 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -6.402 -0.725 2.850 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -9.627 -0.068 3.161 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -9.552 1.642 3.596 1.00 0.00 H new ATOM 418 N LEU A 25 -6.566 -0.103 -2.275 1.00 0.00 N ATOM 419 CA LEU A 25 -6.768 0.646 -3.504 1.00 0.00 C ATOM 420 C LEU A 25 -7.779 -0.053 -4.405 1.00 0.00 C ATOM 421 O LEU A 25 -8.724 0.569 -4.900 1.00 0.00 O ATOM 422 CB LEU A 25 -5.419 0.811 -4.196 1.00 0.00 C ATOM 423 CG LEU A 25 -5.385 1.425 -5.608 1.00 0.00 C ATOM 424 CD1 LEU A 25 -5.768 0.485 -6.762 1.00 0.00 C ATOM 425 CD2 LEU A 25 -6.249 2.687 -5.643 1.00 0.00 C ATOM 0 H LEU A 25 -5.601 -0.368 -2.078 1.00 0.00 H new ATOM 0 HA LEU A 25 -7.177 1.630 -3.277 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -4.790 1.426 -3.552 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -4.953 -0.173 -4.252 1.00 0.00 H new ATOM 0 HG LEU A 25 -4.335 1.658 -5.788 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -5.708 1.026 -7.707 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -5.082 -0.362 -6.784 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -6.786 0.124 -6.614 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -6.222 3.119 -6.644 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -7.277 2.432 -5.385 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -5.864 3.411 -4.925 1.00 0.00 H new ATOM 437 N MET A 26 -7.561 -1.342 -4.634 1.00 0.00 N ATOM 438 CA MET A 26 -8.431 -2.141 -5.475 1.00 0.00 C ATOM 439 C MET A 26 -9.840 -2.271 -4.876 1.00 0.00 C ATOM 440 O MET A 26 -10.803 -2.415 -5.632 1.00 0.00 O ATOM 441 CB MET A 26 -7.816 -3.537 -5.670 1.00 0.00 C ATOM 442 CG MET A 26 -6.368 -3.544 -6.183 1.00 0.00 C ATOM 443 SD MET A 26 -5.572 -5.157 -5.966 1.00 0.00 S ATOM 444 CE MET A 26 -3.958 -4.901 -6.746 1.00 0.00 C ATOM 0 H MET A 26 -6.775 -1.859 -4.240 1.00 0.00 H new ATOM 0 HA MET A 26 -8.526 -1.637 -6.437 1.00 0.00 H new ATOM 0 HB2 MET A 26 -7.851 -4.069 -4.719 1.00 0.00 H new ATOM 0 HB3 MET A 26 -8.436 -4.096 -6.371 1.00 0.00 H new ATOM 0 HG2 MET A 26 -6.357 -3.275 -7.239 1.00 0.00 H new ATOM 0 HG3 MET A 26 -5.794 -2.783 -5.654 1.00 0.00 H new ATOM 0 HE1 MET A 26 -3.372 -5.818 -6.680 1.00 0.00 H new ATOM 0 HE2 MET A 26 -4.098 -4.635 -7.794 1.00 0.00 H new ATOM 0 HE3 MET A 26 -3.430 -4.096 -6.235 1.00 0.00 H new ATOM 454 N GLU A 27 -10.003 -2.214 -3.554 1.00 0.00 N ATOM 455 CA GLU A 27 -11.310 -2.423 -2.913 1.00 0.00 C ATOM 456 C GLU A 27 -12.076 -1.112 -2.908 1.00 0.00 C ATOM 457 O GLU A 27 -13.283 -1.065 -3.094 1.00 0.00 O ATOM 458 CB GLU A 27 -11.204 -2.916 -1.461 1.00 0.00 C ATOM 459 CG GLU A 27 -10.242 -4.096 -1.309 1.00 0.00 C ATOM 460 CD GLU A 27 -10.628 -5.120 -0.246 1.00 0.00 C ATOM 461 OE1 GLU A 27 -11.383 -4.807 0.703 1.00 0.00 O ATOM 462 OE2 GLU A 27 -10.096 -6.246 -0.286 1.00 0.00 O ATOM 0 H GLU A 27 -9.244 -2.024 -2.899 1.00 0.00 H new ATOM 0 HA GLU A 27 -11.820 -3.194 -3.490 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -10.870 -2.095 -0.826 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -12.192 -3.210 -1.108 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -10.164 -4.606 -2.269 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -9.251 -3.708 -1.073 1.00 0.00 H new ATOM 469 N LEU A 28 -11.358 -0.015 -2.732 1.00 0.00 N ATOM 470 CA LEU A 28 -11.905 1.320 -2.748 1.00 0.00 C ATOM 471 C LEU A 28 -12.440 1.623 -4.143 1.00 0.00 C ATOM 472 O LEU A 28 -13.603 2.003 -4.280 1.00 0.00 O ATOM 473 CB LEU A 28 -10.851 2.303 -2.218 1.00 0.00 C ATOM 474 CG LEU A 28 -10.886 2.551 -0.694 1.00 0.00 C ATOM 475 CD1 LEU A 28 -11.106 1.303 0.171 1.00 0.00 C ATOM 476 CD2 LEU A 28 -9.571 3.220 -0.279 1.00 0.00 C ATOM 0 H LEU A 28 -10.351 -0.036 -2.570 1.00 0.00 H new ATOM 0 HA LEU A 28 -12.760 1.423 -2.080 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -9.863 1.929 -2.486 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -10.980 3.258 -2.728 1.00 0.00 H new ATOM 0 HG LEU A 28 -11.755 3.184 -0.515 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -11.114 1.587 1.223 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -12.060 0.844 -0.088 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -10.300 0.591 -0.007 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -9.579 3.403 0.796 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -8.735 2.567 -0.530 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -9.462 4.167 -0.807 1.00 0.00 H new ATOM 488 N ARG A 29 -11.665 1.380 -5.205 1.00 0.00 N ATOM 489 CA ARG A 29 -12.214 1.525 -6.564 1.00 0.00 C ATOM 490 C ARG A 29 -13.448 0.636 -6.759 1.00 0.00 C ATOM 491 O ARG A 29 -14.402 1.074 -7.397 1.00 0.00 O ATOM 492 CB ARG A 29 -11.169 1.325 -7.675 1.00 0.00 C ATOM 493 CG ARG A 29 -10.606 -0.095 -7.768 1.00 0.00 C ATOM 494 CD ARG A 29 -9.677 -0.287 -8.971 1.00 0.00 C ATOM 495 NE ARG A 29 -10.433 -0.492 -10.222 1.00 0.00 N ATOM 496 CZ ARG A 29 -10.535 0.322 -11.280 1.00 0.00 C ATOM 497 NH1 ARG A 29 -10.026 1.551 -11.250 1.00 0.00 N ATOM 498 NH2 ARG A 29 -11.139 -0.116 -12.373 1.00 0.00 N ATOM 0 H ARG A 29 -10.688 1.091 -5.159 1.00 0.00 H new ATOM 0 HA ARG A 29 -12.532 2.563 -6.658 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -11.620 1.587 -8.632 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -10.345 2.019 -7.510 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -10.060 -0.325 -6.853 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -11.431 -0.804 -7.835 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -9.032 0.586 -9.075 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -9.027 -1.144 -8.795 1.00 0.00 H new ATOM 0 HE ARG A 29 -10.946 -1.371 -10.289 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -9.550 1.885 -10.412 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -10.112 2.159 -12.065 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -11.519 -1.062 -12.401 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -11.224 0.493 -13.187 1.00 0.00 H new ATOM 512 N PHE A 30 -13.453 -0.563 -6.172 1.00 0.00 N ATOM 513 CA PHE A 30 -14.591 -1.472 -6.174 1.00 0.00 C ATOM 514 C PHE A 30 -15.772 -0.892 -5.382 1.00 0.00 C ATOM 515 O PHE A 30 -16.913 -1.221 -5.704 1.00 0.00 O ATOM 516 CB PHE A 30 -14.124 -2.840 -5.631 1.00 0.00 C ATOM 517 CG PHE A 30 -15.189 -3.797 -5.124 1.00 0.00 C ATOM 518 CD1 PHE A 30 -16.119 -4.376 -6.008 1.00 0.00 C ATOM 519 CD2 PHE A 30 -15.225 -4.138 -3.756 1.00 0.00 C ATOM 520 CE1 PHE A 30 -17.078 -5.286 -5.525 1.00 0.00 C ATOM 521 CE2 PHE A 30 -16.179 -5.053 -3.276 1.00 0.00 C ATOM 522 CZ PHE A 30 -17.108 -5.627 -4.160 1.00 0.00 C ATOM 0 H PHE A 30 -12.645 -0.933 -5.672 1.00 0.00 H new ATOM 0 HA PHE A 30 -14.959 -1.608 -7.191 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -13.569 -3.344 -6.423 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -13.423 -2.657 -4.817 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -16.097 -4.122 -7.057 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -14.516 -3.694 -3.073 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -17.794 -5.724 -6.205 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -16.198 -5.314 -2.228 1.00 0.00 H new ATOM 0 HZ PHE A 30 -17.843 -6.328 -3.793 1.00 0.00 H new ATOM 532 N GLN A 31 -15.570 -0.015 -4.388 1.00 0.00 N ATOM 533 CA GLN A 31 -16.648 0.493 -3.574 1.00 0.00 C ATOM 534 C GLN A 31 -17.326 1.609 -4.336 1.00 0.00 C ATOM 535 O GLN A 31 -18.538 1.742 -4.263 1.00 0.00 O ATOM 536 CB GLN A 31 -16.102 0.963 -2.219 1.00 0.00 C ATOM 537 CG GLN A 31 -16.007 -0.197 -1.224 1.00 0.00 C ATOM 538 CD GLN A 31 -15.953 0.301 0.218 1.00 0.00 C ATOM 539 OE1 GLN A 31 -15.240 1.257 0.532 1.00 0.00 O ATOM 540 NE2 GLN A 31 -16.702 -0.300 1.127 1.00 0.00 N ATOM 0 H GLN A 31 -14.652 0.352 -4.138 1.00 0.00 H new ATOM 0 HA GLN A 31 -17.383 -0.285 -3.366 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -15.117 1.408 -2.356 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -16.750 1.740 -1.814 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -16.866 -0.856 -1.350 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -15.117 -0.789 -1.438 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -17.290 -1.090 0.862 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -16.692 0.027 2.093 1.00 0.00 H new ATOM 549 N LEU A 32 -16.560 2.396 -5.080 1.00 0.00 N ATOM 550 CA LEU A 32 -17.054 3.467 -5.935 1.00 0.00 C ATOM 551 C LEU A 32 -17.866 2.877 -7.083 1.00 0.00 C ATOM 552 O LEU A 32 -19.012 3.250 -7.313 1.00 0.00 O ATOM 553 CB LEU A 32 -15.833 4.222 -6.463 1.00 0.00 C ATOM 554 CG LEU A 32 -16.098 5.548 -7.175 1.00 0.00 C ATOM 555 CD1 LEU A 32 -16.919 5.489 -8.462 1.00 0.00 C ATOM 556 CD2 LEU A 32 -16.706 6.578 -6.214 1.00 0.00 C ATOM 0 H LEU A 32 -15.545 2.303 -5.106 1.00 0.00 H new ATOM 0 HA LEU A 32 -17.706 4.145 -5.384 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -15.164 4.414 -5.624 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -15.300 3.567 -7.152 1.00 0.00 H new ATOM 0 HG LEU A 32 -15.104 5.855 -7.501 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -17.034 6.495 -8.866 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -16.407 4.861 -9.191 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -17.902 5.069 -8.248 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -16.884 7.512 -6.747 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -17.650 6.198 -5.823 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -16.017 6.757 -5.389 1.00 0.00 H new ATOM 568 N ALA A 33 -17.245 1.939 -7.794 1.00 0.00 N ATOM 569 CA ALA A 33 -17.789 1.213 -8.932 1.00 0.00 C ATOM 570 C ALA A 33 -19.104 0.517 -8.589 1.00 0.00 C ATOM 571 O ALA A 33 -19.895 0.232 -9.490 1.00 0.00 O ATOM 572 CB ALA A 33 -16.764 0.183 -9.408 1.00 0.00 C ATOM 0 H ALA A 33 -16.291 1.650 -7.575 1.00 0.00 H new ATOM 0 HA ALA A 33 -17.997 1.932 -9.724 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -17.167 -0.364 -10.261 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -15.847 0.692 -9.704 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -16.547 -0.515 -8.599 1.00 0.00 H new ATOM 578 N MET A 34 -19.347 0.233 -7.308 1.00 0.00 N ATOM 579 CA MET A 34 -20.658 -0.048 -6.805 1.00 0.00 C ATOM 580 C MET A 34 -21.431 1.237 -6.510 1.00 0.00 C ATOM 581 O MET A 34 -22.336 1.598 -7.267 1.00 0.00 O ATOM 582 CB MET A 34 -20.529 -0.961 -5.590 1.00 0.00 C ATOM 583 CG MET A 34 -20.217 -2.389 -6.039 1.00 0.00 C ATOM 584 SD MET A 34 -20.994 -3.665 -5.015 1.00 0.00 S ATOM 585 CE MET A 34 -22.731 -3.474 -5.502 1.00 0.00 C ATOM 0 H MET A 34 -18.618 0.196 -6.596 1.00 0.00 H new ATOM 0 HA MET A 34 -21.244 -0.568 -7.562 1.00 0.00 H new ATOM 0 HB2 MET A 34 -19.739 -0.597 -4.933 1.00 0.00 H new ATOM 0 HB3 MET A 34 -21.454 -0.946 -5.014 1.00 0.00 H new ATOM 0 HG2 MET A 34 -20.545 -2.515 -7.071 1.00 0.00 H new ATOM 0 HG3 MET A 34 -19.137 -2.535 -6.028 1.00 0.00 H new ATOM 0 HE1 MET A 34 -23.302 -4.336 -5.158 1.00 0.00 H new ATOM 0 HE2 MET A 34 -23.137 -2.567 -5.054 1.00 0.00 H new ATOM 0 HE3 MET A 34 -22.799 -3.404 -6.588 1.00 0.00 H new ATOM 595 N GLY A 35 -21.081 1.919 -5.420 1.00 0.00 N ATOM 596 CA GLY A 35 -21.634 3.203 -5.029 1.00 0.00 C ATOM 597 C GLY A 35 -21.608 3.398 -3.520 1.00 0.00 C ATOM 598 O GLY A 35 -22.616 3.766 -2.912 1.00 0.00 O ATOM 0 H GLY A 35 -20.379 1.575 -4.765 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -21.069 4.002 -5.508 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -22.661 3.280 -5.387 1.00 0.00 H new ATOM 602 N GLN A 36 -20.451 3.160 -2.905 1.00 0.00 N ATOM 603 CA GLN A 36 -20.224 3.173 -1.465 1.00 0.00 C ATOM 604 C GLN A 36 -19.156 4.222 -1.147 1.00 0.00 C ATOM 605 O GLN A 36 -19.416 5.199 -0.451 1.00 0.00 O ATOM 606 CB GLN A 36 -19.827 1.767 -0.975 1.00 0.00 C ATOM 607 CG GLN A 36 -20.682 0.625 -1.543 1.00 0.00 C ATOM 608 CD GLN A 36 -20.327 -0.692 -0.849 1.00 0.00 C ATOM 609 OE1 GLN A 36 -20.600 -0.878 0.336 1.00 0.00 O ATOM 610 NE2 GLN A 36 -19.644 -1.620 -1.498 1.00 0.00 N ATOM 0 H GLN A 36 -19.603 2.941 -3.428 1.00 0.00 H new ATOM 0 HA GLN A 36 -21.138 3.443 -0.937 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -18.784 1.587 -1.237 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -19.891 1.745 0.113 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -21.740 0.847 -1.401 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -20.517 0.536 -2.617 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -19.407 -1.485 -2.481 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -19.354 -2.471 -1.016 1.00 0.00 H new ATOM 619 N LEU A 37 -17.956 4.057 -1.705 1.00 0.00 N ATOM 620 CA LEU A 37 -16.881 5.045 -1.647 1.00 0.00 C ATOM 621 C LEU A 37 -17.335 6.321 -2.362 1.00 0.00 C ATOM 622 O LEU A 37 -18.047 6.228 -3.362 1.00 0.00 O ATOM 623 CB LEU A 37 -15.604 4.422 -2.247 1.00 0.00 C ATOM 624 CG LEU A 37 -14.529 5.429 -2.664 1.00 0.00 C ATOM 625 CD1 LEU A 37 -13.994 6.285 -1.513 1.00 0.00 C ATOM 626 CD2 LEU A 37 -13.308 4.775 -3.271 1.00 0.00 C ATOM 0 H LEU A 37 -17.700 3.215 -2.220 1.00 0.00 H new ATOM 0 HA LEU A 37 -16.647 5.328 -0.621 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -15.175 3.736 -1.517 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -15.882 3.828 -3.118 1.00 0.00 H new ATOM 0 HG LEU A 37 -15.058 6.047 -3.389 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -13.237 6.972 -1.892 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -14.812 6.854 -1.072 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -13.551 5.639 -0.755 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -12.583 5.542 -3.546 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -12.860 4.096 -2.545 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -13.599 4.216 -4.160 1.00 0.00 H new ATOM 638 N LYS A 38 -16.926 7.501 -1.871 1.00 0.00 N ATOM 639 CA LYS A 38 -17.317 8.793 -2.439 1.00 0.00 C ATOM 640 C LYS A 38 -16.197 9.841 -2.447 1.00 0.00 C ATOM 641 O LYS A 38 -16.249 10.744 -3.282 1.00 0.00 O ATOM 642 CB LYS A 38 -18.547 9.282 -1.658 1.00 0.00 C ATOM 643 CG LYS A 38 -19.428 10.269 -2.438 1.00 0.00 C ATOM 644 CD LYS A 38 -20.808 10.321 -1.770 1.00 0.00 C ATOM 645 CE LYS A 38 -21.809 11.140 -2.587 1.00 0.00 C ATOM 646 NZ LYS A 38 -23.175 10.987 -2.048 1.00 0.00 N ATOM 0 H LYS A 38 -16.310 7.582 -1.062 1.00 0.00 H new ATOM 0 HA LYS A 38 -17.550 8.652 -3.494 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -19.150 8.420 -1.372 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -18.214 9.758 -0.736 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -18.973 11.259 -2.445 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -19.522 9.954 -3.477 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -21.187 9.307 -1.642 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -20.713 10.754 -0.774 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -21.523 12.192 -2.572 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -21.786 10.818 -3.628 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -23.838 11.551 -2.617 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -23.452 9.985 -2.085 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -23.198 11.317 -1.062 1.00 0.00 H new ATOM 660 N ASN A 39 -15.193 9.745 -1.561 1.00 0.00 N ATOM 661 CA ASN A 39 -14.056 10.673 -1.545 1.00 0.00 C ATOM 662 C ASN A 39 -12.971 10.185 -2.504 1.00 0.00 C ATOM 663 O ASN A 39 -12.219 9.260 -2.191 1.00 0.00 O ATOM 664 CB ASN A 39 -13.475 10.858 -0.134 1.00 0.00 C ATOM 665 CG ASN A 39 -12.502 12.033 -0.123 1.00 0.00 C ATOM 666 OD1 ASN A 39 -11.553 12.078 -0.897 1.00 0.00 O ATOM 667 ND2 ASN A 39 -12.729 13.019 0.727 1.00 0.00 N ATOM 0 H ASN A 39 -15.148 9.025 -0.840 1.00 0.00 H new ATOM 0 HA ASN A 39 -14.423 11.646 -1.872 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -14.280 11.034 0.580 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -12.964 9.948 0.180 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -12.111 13.830 0.744 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -13.523 12.969 1.366 1.00 0.00 H new ATOM 674 N THR A 40 -12.872 10.772 -3.690 1.00 0.00 N ATOM 675 CA THR A 40 -11.916 10.316 -4.685 1.00 0.00 C ATOM 676 C THR A 40 -10.502 10.862 -4.463 1.00 0.00 C ATOM 677 O THR A 40 -9.541 10.240 -4.938 1.00 0.00 O ATOM 678 CB THR A 40 -12.415 10.628 -6.091 1.00 0.00 C ATOM 679 OG1 THR A 40 -12.607 12.015 -6.308 1.00 0.00 O ATOM 680 CG2 THR A 40 -13.681 9.841 -6.439 1.00 0.00 C ATOM 0 H THR A 40 -13.443 11.564 -3.984 1.00 0.00 H new ATOM 0 HA THR A 40 -11.839 9.235 -4.570 1.00 0.00 H new ATOM 0 HB THR A 40 -11.623 10.304 -6.767 1.00 0.00 H new ATOM 0 HG1 THR A 40 -12.925 12.162 -7.223 1.00 0.00 H new ATOM 0 HG21 THR A 40 -14.001 10.095 -7.450 1.00 0.00 H new ATOM 0 HG22 THR A 40 -13.473 8.773 -6.382 1.00 0.00 H new ATOM 0 HG23 THR A 40 -14.472 10.094 -5.734 1.00 0.00 H new ATOM 688 N SER A 41 -10.337 11.974 -3.733 1.00 0.00 N ATOM 689 CA SER A 41 -9.018 12.432 -3.307 1.00 0.00 C ATOM 690 C SER A 41 -8.368 11.359 -2.436 1.00 0.00 C ATOM 691 O SER A 41 -7.181 11.077 -2.594 1.00 0.00 O ATOM 692 CB SER A 41 -9.121 13.742 -2.518 1.00 0.00 C ATOM 693 OG SER A 41 -9.803 14.737 -3.259 1.00 0.00 O ATOM 0 H SER A 41 -11.106 12.570 -3.427 1.00 0.00 H new ATOM 0 HA SER A 41 -8.409 12.613 -4.193 1.00 0.00 H new ATOM 0 HB2 SER A 41 -9.644 13.563 -1.579 1.00 0.00 H new ATOM 0 HB3 SER A 41 -8.122 14.096 -2.264 1.00 0.00 H new ATOM 0 HG SER A 41 -9.855 15.561 -2.730 1.00 0.00 H new ATOM 699 N LEU A 42 -9.155 10.701 -1.579 1.00 0.00 N ATOM 700 CA LEU A 42 -8.645 9.665 -0.688 1.00 0.00 C ATOM 701 C LEU A 42 -8.094 8.541 -1.551 1.00 0.00 C ATOM 702 O LEU A 42 -6.945 8.170 -1.355 1.00 0.00 O ATOM 703 CB LEU A 42 -9.705 9.184 0.310 1.00 0.00 C ATOM 704 CG LEU A 42 -9.336 7.862 1.023 1.00 0.00 C ATOM 705 CD1 LEU A 42 -7.987 7.842 1.760 1.00 0.00 C ATOM 706 CD2 LEU A 42 -10.433 7.574 2.039 1.00 0.00 C ATOM 0 H LEU A 42 -10.156 10.873 -1.487 1.00 0.00 H new ATOM 0 HA LEU A 42 -7.846 10.069 -0.067 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -9.863 9.959 1.060 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -10.651 9.051 -0.215 1.00 0.00 H new ATOM 0 HG LEU A 42 -9.242 7.113 0.236 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -7.838 6.865 2.220 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -7.182 8.036 1.051 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -7.983 8.611 2.532 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -10.208 6.646 2.564 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -10.489 8.393 2.756 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -11.389 7.477 1.525 1.00 0.00 H new ATOM 718 N ILE A 43 -8.839 8.043 -2.546 1.00 0.00 N ATOM 719 CA ILE A 43 -8.306 7.055 -3.489 1.00 0.00 C ATOM 720 C ILE A 43 -6.969 7.541 -4.072 1.00 0.00 C ATOM 721 O ILE A 43 -6.007 6.782 -4.108 1.00 0.00 O ATOM 722 CB ILE A 43 -9.356 6.680 -4.569 1.00 0.00 C ATOM 723 CG1 ILE A 43 -9.978 5.290 -4.313 1.00 0.00 C ATOM 724 CG2 ILE A 43 -8.819 6.745 -6.006 1.00 0.00 C ATOM 725 CD1 ILE A 43 -9.080 4.080 -4.607 1.00 0.00 C ATOM 0 H ILE A 43 -9.809 8.308 -2.718 1.00 0.00 H new ATOM 0 HA ILE A 43 -8.095 6.129 -2.955 1.00 0.00 H new ATOM 0 HB ILE A 43 -10.128 7.444 -4.477 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -10.288 5.241 -3.269 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -10.880 5.202 -4.918 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -9.611 6.470 -6.703 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -8.481 7.758 -6.223 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -7.984 6.053 -6.114 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -9.625 3.161 -4.390 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -8.789 4.090 -5.657 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -8.188 4.129 -3.983 1.00 0.00 H new ATOM 737 N LYS A 44 -6.877 8.789 -4.527 1.00 0.00 N ATOM 738 CA LYS A 44 -5.740 9.309 -5.278 1.00 0.00 C ATOM 739 C LYS A 44 -4.466 9.391 -4.446 1.00 0.00 C ATOM 740 O LYS A 44 -3.373 9.119 -4.950 1.00 0.00 O ATOM 741 CB LYS A 44 -6.197 10.675 -5.783 1.00 0.00 C ATOM 742 CG LYS A 44 -5.187 11.415 -6.646 1.00 0.00 C ATOM 743 CD LYS A 44 -4.525 12.629 -5.983 1.00 0.00 C ATOM 744 CE LYS A 44 -3.093 12.369 -5.504 1.00 0.00 C ATOM 745 NZ LYS A 44 -2.249 13.570 -5.720 1.00 0.00 N ATOM 0 H LYS A 44 -7.610 9.483 -4.379 1.00 0.00 H new ATOM 0 HA LYS A 44 -5.467 8.644 -6.098 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -7.115 10.545 -6.356 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -6.444 11.299 -4.924 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -4.407 10.715 -6.945 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -5.685 11.746 -7.557 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -4.516 13.458 -6.691 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -5.131 12.942 -5.133 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -3.099 12.106 -4.446 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -2.672 11.519 -6.041 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -1.281 13.378 -5.390 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -2.230 13.803 -6.733 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -2.643 14.372 -5.188 1.00 0.00 H new ATOM 759 N LEU A 45 -4.606 9.759 -3.180 1.00 0.00 N ATOM 760 CA LEU A 45 -3.619 9.686 -2.124 1.00 0.00 C ATOM 761 C LEU A 45 -3.292 8.234 -1.830 1.00 0.00 C ATOM 762 O LEU A 45 -2.123 7.874 -1.698 1.00 0.00 O ATOM 763 CB LEU A 45 -4.224 10.331 -0.865 1.00 0.00 C ATOM 764 CG LEU A 45 -3.907 11.813 -0.637 1.00 0.00 C ATOM 765 CD1 LEU A 45 -2.403 12.083 -0.728 1.00 0.00 C ATOM 766 CD2 LEU A 45 -4.668 12.752 -1.572 1.00 0.00 C ATOM 0 H LEU A 45 -5.487 10.147 -2.843 1.00 0.00 H new ATOM 0 HA LEU A 45 -2.707 10.203 -2.424 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -5.307 10.217 -0.910 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -3.880 9.771 0.004 1.00 0.00 H new ATOM 0 HG LEU A 45 -4.250 12.030 0.375 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -2.213 13.143 -0.562 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -1.882 11.498 0.029 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -2.042 11.801 -1.717 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -4.394 13.784 -1.353 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -4.414 12.520 -2.606 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -5.740 12.622 -1.424 1.00 0.00 H new ATOM 778 N THR A 46 -4.316 7.393 -1.761 1.00 0.00 N ATOM 779 CA THR A 46 -4.168 6.000 -1.425 1.00 0.00 C ATOM 780 C THR A 46 -3.293 5.368 -2.505 1.00 0.00 C ATOM 781 O THR A 46 -2.312 4.746 -2.150 1.00 0.00 O ATOM 782 CB THR A 46 -5.573 5.431 -1.168 1.00 0.00 C ATOM 783 OG1 THR A 46 -6.061 6.063 -0.006 1.00 0.00 O ATOM 784 CG2 THR A 46 -5.700 3.951 -0.895 1.00 0.00 C ATOM 0 H THR A 46 -5.281 7.672 -1.941 1.00 0.00 H new ATOM 0 HA THR A 46 -3.637 5.781 -0.499 1.00 0.00 H new ATOM 0 HB THR A 46 -6.110 5.611 -2.099 1.00 0.00 H new ATOM 0 HG1 THR A 46 -6.678 6.781 -0.259 1.00 0.00 H new ATOM 0 HG21 THR A 46 -6.748 3.699 -0.733 1.00 0.00 H new ATOM 0 HG22 THR A 46 -5.319 3.390 -1.748 1.00 0.00 H new ATOM 0 HG23 THR A 46 -5.124 3.694 -0.006 1.00 0.00 H new ATOM 792 N LYS A 47 -3.465 5.659 -3.801 1.00 0.00 N ATOM 793 CA LYS A 47 -2.567 5.199 -4.870 1.00 0.00 C ATOM 794 C LYS A 47 -1.109 5.557 -4.650 1.00 0.00 C ATOM 795 O LYS A 47 -0.252 4.756 -5.009 1.00 0.00 O ATOM 796 CB LYS A 47 -2.899 5.908 -6.193 1.00 0.00 C ATOM 797 CG LYS A 47 -4.292 5.742 -6.774 1.00 0.00 C ATOM 798 CD LYS A 47 -4.385 4.480 -7.623 1.00 0.00 C ATOM 799 CE LYS A 47 -3.824 4.675 -9.033 1.00 0.00 C ATOM 800 NZ LYS A 47 -4.804 5.379 -9.891 1.00 0.00 N ATOM 0 H LYS A 47 -4.241 6.227 -4.141 1.00 0.00 H new ATOM 0 HA LYS A 47 -2.710 4.119 -4.882 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -2.724 6.974 -6.051 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -2.185 5.565 -6.941 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -5.023 5.696 -5.967 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -4.542 6.612 -7.381 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -3.843 3.674 -7.129 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -5.427 4.169 -7.691 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -2.897 5.247 -8.986 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -3.579 3.707 -9.470 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -4.406 5.502 -10.844 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -5.678 4.819 -9.951 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -5.017 6.311 -9.482 1.00 0.00 H new ATOM 814 N ARG A 48 -0.794 6.776 -4.201 1.00 0.00 N ATOM 815 CA ARG A 48 0.611 7.200 -4.101 1.00 0.00 C ATOM 816 C ARG A 48 1.319 6.247 -3.164 1.00 0.00 C ATOM 817 O ARG A 48 2.405 5.743 -3.439 1.00 0.00 O ATOM 818 CB ARG A 48 0.782 8.637 -3.574 1.00 0.00 C ATOM 819 CG ARG A 48 -0.328 9.578 -4.003 1.00 0.00 C ATOM 820 CD ARG A 48 -0.011 11.076 -3.967 1.00 0.00 C ATOM 821 NE ARG A 48 1.098 11.427 -3.060 1.00 0.00 N ATOM 822 CZ ARG A 48 2.285 11.937 -3.415 1.00 0.00 C ATOM 823 NH1 ARG A 48 2.506 12.431 -4.628 1.00 0.00 N ATOM 824 NH2 ARG A 48 3.263 11.948 -2.527 1.00 0.00 N ATOM 0 H ARG A 48 -1.475 7.476 -3.906 1.00 0.00 H new ATOM 0 HA ARG A 48 1.034 7.183 -5.106 1.00 0.00 H new ATOM 0 HB2 ARG A 48 0.826 8.613 -2.485 1.00 0.00 H new ATOM 0 HB3 ARG A 48 1.736 9.032 -3.923 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -0.622 9.317 -5.020 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -1.193 9.398 -3.365 1.00 0.00 H new ATOM 0 HD2 ARG A 48 0.236 11.410 -4.975 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -0.905 11.620 -3.661 1.00 0.00 H new ATOM 0 HE ARG A 48 0.946 11.266 -2.064 1.00 0.00 H new ATOM 0 HH11 ARG A 48 1.759 12.430 -5.323 1.00 0.00 H new ATOM 0 HH12 ARG A 48 3.422 12.812 -4.864 1.00 0.00 H new ATOM 0 HH21 ARG A 48 3.107 11.573 -1.592 1.00 0.00 H new ATOM 0 HH22 ARG A 48 4.174 12.332 -2.777 1.00 0.00 H new ATOM 838 N ASP A 49 0.647 5.998 -2.054 1.00 0.00 N ATOM 839 CA ASP A 49 1.160 5.229 -0.953 1.00 0.00 C ATOM 840 C ASP A 49 0.978 3.752 -1.237 1.00 0.00 C ATOM 841 O ASP A 49 1.869 2.988 -0.942 1.00 0.00 O ATOM 842 CB ASP A 49 0.405 5.673 0.302 1.00 0.00 C ATOM 843 CG ASP A 49 1.303 5.893 1.518 1.00 0.00 C ATOM 844 OD1 ASP A 49 2.482 6.281 1.352 1.00 0.00 O ATOM 845 OD2 ASP A 49 0.799 5.829 2.657 1.00 0.00 O ATOM 0 H ASP A 49 -0.301 6.340 -1.897 1.00 0.00 H new ATOM 0 HA ASP A 49 2.227 5.394 -0.806 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -0.129 6.598 0.085 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -0.345 4.922 0.548 1.00 0.00 H new ATOM 850 N ILE A 50 -0.074 3.311 -1.922 1.00 0.00 N ATOM 851 CA ILE A 50 -0.139 1.958 -2.452 1.00 0.00 C ATOM 852 C ILE A 50 1.094 1.725 -3.258 1.00 0.00 C ATOM 853 O ILE A 50 1.738 0.720 -3.039 1.00 0.00 O ATOM 854 CB ILE A 50 -1.400 1.672 -3.298 1.00 0.00 C ATOM 855 CG1 ILE A 50 -2.370 0.905 -2.406 1.00 0.00 C ATOM 856 CG2 ILE A 50 -1.215 0.851 -4.588 1.00 0.00 C ATOM 857 CD1 ILE A 50 -3.160 1.901 -1.580 1.00 0.00 C ATOM 0 H ILE A 50 -0.897 3.879 -2.122 1.00 0.00 H new ATOM 0 HA ILE A 50 -0.204 1.271 -1.608 1.00 0.00 H new ATOM 0 HB ILE A 50 -1.744 2.649 -3.637 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -3.043 0.299 -3.013 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -1.825 0.222 -1.755 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -2.179 0.726 -5.081 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -0.530 1.373 -5.256 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -0.805 -0.128 -4.341 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -3.859 1.367 -0.936 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -2.477 2.487 -0.966 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -3.713 2.566 -2.243 1.00 0.00 H new ATOM 869 N ALA A 51 1.413 2.637 -4.165 1.00 0.00 N ATOM 870 CA ALA A 51 2.534 2.457 -5.028 1.00 0.00 C ATOM 871 C ALA A 51 3.801 2.390 -4.190 1.00 0.00 C ATOM 872 O ALA A 51 4.520 1.412 -4.338 1.00 0.00 O ATOM 873 CB ALA A 51 2.506 3.523 -6.108 1.00 0.00 C ATOM 0 H ALA A 51 0.899 3.506 -4.310 1.00 0.00 H new ATOM 0 HA ALA A 51 2.499 1.509 -5.565 1.00 0.00 H new ATOM 0 HB1 ALA A 51 3.361 3.391 -6.772 1.00 0.00 H new ATOM 0 HB2 ALA A 51 1.584 3.435 -6.682 1.00 0.00 H new ATOM 0 HB3 ALA A 51 2.553 4.509 -5.647 1.00 0.00 H new ATOM 879 N ARG A 52 4.056 3.326 -3.263 1.00 0.00 N ATOM 880 CA ARG A 52 5.202 3.266 -2.375 1.00 0.00 C ATOM 881 C ARG A 52 5.272 1.970 -1.573 1.00 0.00 C ATOM 882 O ARG A 52 6.259 1.253 -1.638 1.00 0.00 O ATOM 883 CB ARG A 52 5.293 4.534 -1.537 1.00 0.00 C ATOM 884 CG ARG A 52 4.565 4.766 -0.237 1.00 0.00 C ATOM 885 CD ARG A 52 5.292 4.276 1.015 1.00 0.00 C ATOM 886 NE ARG A 52 6.255 5.236 1.576 1.00 0.00 N ATOM 887 CZ ARG A 52 6.005 6.053 2.610 1.00 0.00 C ATOM 888 NH1 ARG A 52 4.755 6.364 2.956 1.00 0.00 N ATOM 889 NH2 ARG A 52 7.022 6.541 3.308 1.00 0.00 N ATOM 0 H ARG A 52 3.465 4.144 -3.117 1.00 0.00 H new ATOM 0 HA ARG A 52 6.104 3.233 -2.987 1.00 0.00 H new ATOM 0 HB2 ARG A 52 6.351 4.671 -1.316 1.00 0.00 H new ATOM 0 HB3 ARG A 52 4.996 5.350 -2.196 1.00 0.00 H new ATOM 0 HG2 ARG A 52 4.374 5.834 -0.132 1.00 0.00 H new ATOM 0 HG3 ARG A 52 3.594 4.273 -0.290 1.00 0.00 H new ATOM 0 HD2 ARG A 52 4.552 4.035 1.778 1.00 0.00 H new ATOM 0 HD3 ARG A 52 5.817 3.351 0.776 1.00 0.00 H new ATOM 0 HE ARG A 52 7.180 5.284 1.148 1.00 0.00 H new ATOM 0 HH11 ARG A 52 3.970 5.979 2.431 1.00 0.00 H new ATOM 0 HH12 ARG A 52 4.584 6.987 3.745 1.00 0.00 H new ATOM 0 HH21 ARG A 52 7.979 6.294 3.056 1.00 0.00 H new ATOM 0 HH22 ARG A 52 6.847 7.163 4.097 1.00 0.00 H new ATOM 903 N ILE A 53 4.236 1.669 -0.808 1.00 0.00 N ATOM 904 CA ILE A 53 4.085 0.442 -0.032 1.00 0.00 C ATOM 905 C ILE A 53 4.245 -0.833 -0.869 1.00 0.00 C ATOM 906 O ILE A 53 5.062 -1.692 -0.538 1.00 0.00 O ATOM 907 CB ILE A 53 2.759 0.536 0.758 1.00 0.00 C ATOM 908 CG1 ILE A 53 2.904 1.507 1.955 1.00 0.00 C ATOM 909 CG2 ILE A 53 2.369 -0.820 1.313 1.00 0.00 C ATOM 910 CD1 ILE A 53 1.980 2.720 1.991 1.00 0.00 C ATOM 0 H ILE A 53 3.440 2.299 -0.704 1.00 0.00 H new ATOM 0 HA ILE A 53 4.904 0.354 0.682 1.00 0.00 H new ATOM 0 HB ILE A 53 1.996 0.896 0.068 1.00 0.00 H new ATOM 0 HG12 ILE A 53 2.748 0.938 2.871 1.00 0.00 H new ATOM 0 HG13 ILE A 53 3.933 1.867 1.974 1.00 0.00 H new ATOM 0 HG21 ILE A 53 1.433 -0.732 1.865 1.00 0.00 H new ATOM 0 HG22 ILE A 53 2.241 -1.526 0.492 1.00 0.00 H new ATOM 0 HG23 ILE A 53 3.152 -1.179 1.981 1.00 0.00 H new ATOM 0 HD11 ILE A 53 2.191 3.312 2.882 1.00 0.00 H new ATOM 0 HD12 ILE A 53 2.145 3.330 1.103 1.00 0.00 H new ATOM 0 HD13 ILE A 53 0.943 2.387 2.014 1.00 0.00 H new ATOM 922 N LYS A 54 3.479 -1.018 -1.936 1.00 0.00 N ATOM 923 CA LYS A 54 3.540 -2.245 -2.722 1.00 0.00 C ATOM 924 C LYS A 54 4.898 -2.354 -3.444 1.00 0.00 C ATOM 925 O LYS A 54 5.399 -3.463 -3.653 1.00 0.00 O ATOM 926 CB LYS A 54 2.266 -2.370 -3.601 1.00 0.00 C ATOM 927 CG LYS A 54 2.334 -1.485 -4.869 1.00 0.00 C ATOM 928 CD LYS A 54 3.022 -2.158 -6.058 1.00 0.00 C ATOM 929 CE LYS A 54 2.740 -1.375 -7.353 1.00 0.00 C ATOM 930 NZ LYS A 54 3.326 -2.037 -8.535 1.00 0.00 N ATOM 0 H LYS A 54 2.806 -0.332 -2.279 1.00 0.00 H new ATOM 0 HA LYS A 54 3.516 -3.130 -2.087 1.00 0.00 H new ATOM 0 HB2 LYS A 54 2.131 -3.411 -3.895 1.00 0.00 H new ATOM 0 HB3 LYS A 54 1.393 -2.090 -3.012 1.00 0.00 H new ATOM 0 HG2 LYS A 54 1.321 -1.204 -5.159 1.00 0.00 H new ATOM 0 HG3 LYS A 54 2.864 -0.563 -4.629 1.00 0.00 H new ATOM 0 HD2 LYS A 54 4.097 -2.210 -5.883 1.00 0.00 H new ATOM 0 HD3 LYS A 54 2.666 -3.183 -6.160 1.00 0.00 H new ATOM 0 HE2 LYS A 54 1.663 -1.275 -7.490 1.00 0.00 H new ATOM 0 HE3 LYS A 54 3.145 -0.367 -7.263 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 3.114 -1.479 -9.386 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 4.357 -2.110 -8.417 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 2.921 -2.990 -8.636 1.00 0.00 H new ATOM 944 N THR A 55 5.541 -1.221 -3.751 1.00 0.00 N ATOM 945 CA THR A 55 6.942 -1.150 -4.135 1.00 0.00 C ATOM 946 C THR A 55 7.827 -1.627 -2.995 1.00 0.00 C ATOM 947 O THR A 55 8.713 -2.416 -3.283 1.00 0.00 O ATOM 948 CB THR A 55 7.288 0.278 -4.567 1.00 0.00 C ATOM 949 OG1 THR A 55 6.918 0.472 -5.911 1.00 0.00 O ATOM 950 CG2 THR A 55 8.739 0.724 -4.395 1.00 0.00 C ATOM 0 H THR A 55 5.083 -0.310 -3.737 1.00 0.00 H new ATOM 0 HA THR A 55 7.122 -1.810 -4.983 1.00 0.00 H new ATOM 0 HB THR A 55 6.719 0.899 -3.875 1.00 0.00 H new ATOM 0 HG1 THR A 55 6.006 0.830 -5.951 1.00 0.00 H new ATOM 0 HG21 THR A 55 8.847 1.753 -4.739 1.00 0.00 H new ATOM 0 HG22 THR A 55 9.016 0.662 -3.343 1.00 0.00 H new ATOM 0 HG23 THR A 55 9.391 0.076 -4.981 1.00 0.00 H new ATOM 958 N ILE A 56 7.642 -1.177 -1.745 1.00 0.00 N ATOM 959 CA ILE A 56 8.461 -1.628 -0.615 1.00 0.00 C ATOM 960 C ILE A 56 8.460 -3.151 -0.605 1.00 0.00 C ATOM 961 O ILE A 56 9.539 -3.730 -0.562 1.00 0.00 O ATOM 962 CB ILE A 56 8.030 -1.038 0.745 1.00 0.00 C ATOM 963 CG1 ILE A 56 8.395 0.456 0.846 1.00 0.00 C ATOM 964 CG2 ILE A 56 8.608 -1.822 1.943 1.00 0.00 C ATOM 965 CD1 ILE A 56 9.777 0.753 1.444 1.00 0.00 C ATOM 0 H ILE A 56 6.926 -0.496 -1.492 1.00 0.00 H new ATOM 0 HA ILE A 56 9.475 -1.253 -0.756 1.00 0.00 H new ATOM 0 HB ILE A 56 6.945 -1.135 0.793 1.00 0.00 H new ATOM 0 HG12 ILE A 56 8.347 0.893 -0.151 1.00 0.00 H new ATOM 0 HG13 ILE A 56 7.640 0.958 1.451 1.00 0.00 H new ATOM 0 HG21 ILE A 56 8.273 -1.364 2.873 1.00 0.00 H new ATOM 0 HG22 ILE A 56 8.263 -2.855 1.902 1.00 0.00 H new ATOM 0 HG23 ILE A 56 9.697 -1.801 1.900 1.00 0.00 H new ATOM 0 HD11 ILE A 56 9.938 1.831 1.471 1.00 0.00 H new ATOM 0 HD12 ILE A 56 9.829 0.352 2.456 1.00 0.00 H new ATOM 0 HD13 ILE A 56 10.547 0.287 0.829 1.00 0.00 H new ATOM 977 N LEU A 57 7.282 -3.788 -0.686 1.00 0.00 N ATOM 978 CA LEU A 57 7.207 -5.244 -0.741 1.00 0.00 C ATOM 979 C LEU A 57 8.080 -5.748 -1.887 1.00 0.00 C ATOM 980 O LEU A 57 9.002 -6.503 -1.610 1.00 0.00 O ATOM 981 CB LEU A 57 5.753 -5.750 -0.798 1.00 0.00 C ATOM 982 CG LEU A 57 5.599 -7.164 -0.188 1.00 0.00 C ATOM 983 CD1 LEU A 57 4.121 -7.472 0.063 1.00 0.00 C ATOM 984 CD2 LEU A 57 6.195 -8.272 -1.055 1.00 0.00 C ATOM 0 H LEU A 57 6.378 -3.316 -0.714 1.00 0.00 H new ATOM 0 HA LEU A 57 7.602 -5.663 0.185 1.00 0.00 H new ATOM 0 HB2 LEU A 57 5.107 -5.054 -0.263 1.00 0.00 H new ATOM 0 HB3 LEU A 57 5.416 -5.765 -1.835 1.00 0.00 H new ATOM 0 HG LEU A 57 6.158 -7.149 0.748 1.00 0.00 H new ATOM 0 HD11 LEU A 57 4.025 -8.469 0.492 1.00 0.00 H new ATOM 0 HD12 LEU A 57 3.709 -6.738 0.755 1.00 0.00 H new ATOM 0 HD13 LEU A 57 3.575 -7.429 -0.879 1.00 0.00 H new ATOM 0 HD21 LEU A 57 6.050 -9.235 -0.565 1.00 0.00 H new ATOM 0 HD22 LEU A 57 5.699 -8.281 -2.026 1.00 0.00 H new ATOM 0 HD23 LEU A 57 7.261 -8.092 -1.194 1.00 0.00 H new ATOM 996 N ARG A 58 7.904 -5.243 -3.118 1.00 0.00 N ATOM 997 CA ARG A 58 8.728 -5.622 -4.272 1.00 0.00 C ATOM 998 C ARG A 58 10.212 -5.526 -3.929 1.00 0.00 C ATOM 999 O ARG A 58 10.929 -6.507 -4.075 1.00 0.00 O ATOM 1000 CB ARG A 58 8.406 -4.763 -5.516 1.00 0.00 C ATOM 1001 CG ARG A 58 8.363 -5.546 -6.846 1.00 0.00 C ATOM 1002 CD ARG A 58 9.588 -6.433 -7.122 1.00 0.00 C ATOM 1003 NE ARG A 58 10.225 -6.183 -8.433 1.00 0.00 N ATOM 1004 CZ ARG A 58 9.955 -6.797 -9.593 1.00 0.00 C ATOM 1005 NH1 ARG A 58 8.990 -7.703 -9.678 1.00 0.00 N ATOM 1006 NH2 ARG A 58 10.674 -6.495 -10.669 1.00 0.00 N ATOM 0 H ARG A 58 7.182 -4.557 -3.340 1.00 0.00 H new ATOM 0 HA ARG A 58 8.489 -6.657 -4.515 1.00 0.00 H new ATOM 0 HB2 ARG A 58 7.442 -4.276 -5.365 1.00 0.00 H new ATOM 0 HB3 ARG A 58 9.153 -3.973 -5.599 1.00 0.00 H new ATOM 0 HG2 ARG A 58 7.471 -6.173 -6.852 1.00 0.00 H new ATOM 0 HG3 ARG A 58 8.257 -4.835 -7.665 1.00 0.00 H new ATOM 0 HD2 ARG A 58 10.325 -6.273 -6.335 1.00 0.00 H new ATOM 0 HD3 ARG A 58 9.286 -7.479 -7.069 1.00 0.00 H new ATOM 0 HE ARG A 58 10.949 -5.465 -8.457 1.00 0.00 H new ATOM 0 HH11 ARG A 58 8.440 -7.942 -8.853 1.00 0.00 H new ATOM 0 HH12 ARG A 58 8.797 -8.161 -10.569 1.00 0.00 H new ATOM 0 HH21 ARG A 58 11.421 -5.803 -10.606 1.00 0.00 H new ATOM 0 HH22 ARG A 58 10.479 -6.955 -11.558 1.00 0.00 H new ATOM 1020 N GLU A 59 10.678 -4.361 -3.483 1.00 0.00 N ATOM 1021 CA GLU A 59 12.073 -4.083 -3.146 1.00 0.00 C ATOM 1022 C GLU A 59 12.584 -5.140 -2.154 1.00 0.00 C ATOM 1023 O GLU A 59 13.711 -5.622 -2.287 1.00 0.00 O ATOM 1024 CB GLU A 59 12.210 -2.652 -2.570 1.00 0.00 C ATOM 1025 CG GLU A 59 11.651 -1.530 -3.473 1.00 0.00 C ATOM 1026 CD GLU A 59 12.654 -0.449 -3.891 1.00 0.00 C ATOM 1027 OE1 GLU A 59 12.981 0.421 -3.050 1.00 0.00 O ATOM 1028 OE2 GLU A 59 13.005 -0.378 -5.098 1.00 0.00 O ATOM 0 H GLU A 59 10.071 -3.554 -3.341 1.00 0.00 H new ATOM 0 HA GLU A 59 12.684 -4.136 -4.047 1.00 0.00 H new ATOM 0 HB2 GLU A 59 11.698 -2.613 -1.608 1.00 0.00 H new ATOM 0 HB3 GLU A 59 13.264 -2.453 -2.379 1.00 0.00 H new ATOM 0 HG2 GLU A 59 11.240 -1.985 -4.374 1.00 0.00 H new ATOM 0 HG3 GLU A 59 10.823 -1.049 -2.952 1.00 0.00 H new ATOM 1035 N ARG A 60 11.746 -5.530 -1.189 1.00 0.00 N ATOM 1036 CA ARG A 60 12.087 -6.523 -0.180 1.00 0.00 C ATOM 1037 C ARG A 60 12.185 -7.928 -0.770 1.00 0.00 C ATOM 1038 O ARG A 60 12.972 -8.726 -0.264 1.00 0.00 O ATOM 1039 CB ARG A 60 11.102 -6.480 1.001 1.00 0.00 C ATOM 1040 CG ARG A 60 11.193 -5.181 1.827 1.00 0.00 C ATOM 1041 CD ARG A 60 10.245 -5.048 3.035 1.00 0.00 C ATOM 1042 NE ARG A 60 9.028 -5.875 2.954 1.00 0.00 N ATOM 1043 CZ ARG A 60 8.927 -7.135 3.405 1.00 0.00 C ATOM 1044 NH1 ARG A 60 9.990 -7.769 3.892 1.00 0.00 N ATOM 1045 NH2 ARG A 60 7.748 -7.743 3.376 1.00 0.00 N ATOM 0 H ARG A 60 10.802 -5.157 -1.090 1.00 0.00 H new ATOM 0 HA ARG A 60 13.076 -6.266 0.200 1.00 0.00 H new ATOM 0 HB2 ARG A 60 10.086 -6.590 0.621 1.00 0.00 H new ATOM 0 HB3 ARG A 60 11.292 -7.331 1.654 1.00 0.00 H new ATOM 0 HG2 ARG A 60 12.217 -5.081 2.188 1.00 0.00 H new ATOM 0 HG3 ARG A 60 11.008 -4.341 1.158 1.00 0.00 H new ATOM 0 HD2 ARG A 60 10.791 -5.316 3.940 1.00 0.00 H new ATOM 0 HD3 ARG A 60 9.952 -4.003 3.137 1.00 0.00 H new ATOM 0 HE ARG A 60 8.202 -5.459 2.524 1.00 0.00 H new ATOM 0 HH11 ARG A 60 10.894 -7.298 3.926 1.00 0.00 H new ATOM 0 HH12 ARG A 60 9.901 -8.727 4.232 1.00 0.00 H new ATOM 0 HH21 ARG A 60 6.930 -7.253 3.014 1.00 0.00 H new ATOM 0 HH22 ARG A 60 7.659 -8.701 3.716 1.00 0.00 H new ATOM 1059 N GLU A 61 11.442 -8.232 -1.829 1.00 0.00 N ATOM 1060 CA GLU A 61 11.503 -9.512 -2.531 1.00 0.00 C ATOM 1061 C GLU A 61 12.907 -9.702 -3.120 1.00 0.00 C ATOM 1062 O GLU A 61 13.534 -10.727 -2.845 1.00 0.00 O ATOM 1063 CB GLU A 61 10.398 -9.682 -3.608 1.00 0.00 C ATOM 1064 CG GLU A 61 8.972 -9.578 -3.045 1.00 0.00 C ATOM 1065 CD GLU A 61 7.838 -9.671 -4.077 1.00 0.00 C ATOM 1066 OE1 GLU A 61 7.888 -8.977 -5.123 1.00 0.00 O ATOM 1067 OE2 GLU A 61 6.816 -10.337 -3.797 1.00 0.00 O ATOM 0 H GLU A 61 10.766 -7.583 -2.233 1.00 0.00 H new ATOM 0 HA GLU A 61 11.306 -10.297 -1.801 1.00 0.00 H new ATOM 0 HB2 GLU A 61 10.532 -8.922 -4.378 1.00 0.00 H new ATOM 0 HB3 GLU A 61 10.519 -10.651 -4.092 1.00 0.00 H new ATOM 0 HG2 GLU A 61 8.834 -10.370 -2.309 1.00 0.00 H new ATOM 0 HG3 GLU A 61 8.879 -8.630 -2.515 1.00 0.00 H new ATOM 1074 N LEU A 62 13.426 -8.774 -3.940 1.00 0.00 N ATOM 1075 CA LEU A 62 14.635 -9.060 -4.712 1.00 0.00 C ATOM 1076 C LEU A 62 15.918 -8.986 -3.895 1.00 0.00 C ATOM 1077 O LEU A 62 16.946 -9.494 -4.345 1.00 0.00 O ATOM 1078 CB LEU A 62 14.844 -8.091 -5.883 1.00 0.00 C ATOM 1079 CG LEU A 62 13.639 -7.536 -6.648 1.00 0.00 C ATOM 1080 CD1 LEU A 62 12.474 -8.508 -6.856 1.00 0.00 C ATOM 1081 CD2 LEU A 62 13.250 -6.172 -6.087 1.00 0.00 C ATOM 0 H LEU A 62 13.035 -7.842 -4.081 1.00 0.00 H new ATOM 0 HA LEU A 62 14.458 -10.077 -5.062 1.00 0.00 H new ATOM 0 HB2 LEU A 62 15.405 -7.238 -5.501 1.00 0.00 H new ATOM 0 HB3 LEU A 62 15.484 -8.594 -6.608 1.00 0.00 H new ATOM 0 HG LEU A 62 13.962 -7.391 -7.679 1.00 0.00 H new ATOM 0 HD11 LEU A 62 11.678 -8.009 -7.408 1.00 0.00 H new ATOM 0 HD12 LEU A 62 12.819 -9.374 -7.421 1.00 0.00 H new ATOM 0 HD13 LEU A 62 12.095 -8.834 -5.887 1.00 0.00 H new ATOM 0 HD21 LEU A 62 12.392 -5.784 -6.636 1.00 0.00 H new ATOM 0 HD22 LEU A 62 12.991 -6.273 -5.033 1.00 0.00 H new ATOM 0 HD23 LEU A 62 14.089 -5.483 -6.190 1.00 0.00 H new ATOM 1093 N GLY A 63 15.927 -8.254 -2.783 1.00 0.00 N ATOM 1094 CA GLY A 63 17.151 -7.942 -2.058 1.00 0.00 C ATOM 1095 C GLY A 63 17.451 -6.445 -1.968 1.00 0.00 C ATOM 1096 O GLY A 63 18.510 -6.083 -1.450 1.00 0.00 O ATOM 0 H GLY A 63 15.085 -7.862 -2.362 1.00 0.00 H new ATOM 0 HA2 GLY A 63 17.079 -8.350 -1.050 1.00 0.00 H new ATOM 0 HA3 GLY A 63 17.988 -8.442 -2.545 1.00 0.00 H new ATOM 1100 N ILE A 64 16.593 -5.554 -2.475 1.00 0.00 N ATOM 1101 CA ILE A 64 16.806 -4.121 -2.458 1.00 0.00 C ATOM 1102 C ILE A 64 16.600 -3.565 -1.041 1.00 0.00 C ATOM 1103 O ILE A 64 17.059 -2.463 -0.745 1.00 0.00 O ATOM 1104 CB ILE A 64 15.871 -3.485 -3.506 1.00 0.00 C ATOM 1105 CG1 ILE A 64 16.013 -4.080 -4.920 1.00 0.00 C ATOM 1106 CG2 ILE A 64 16.008 -1.968 -3.572 1.00 0.00 C ATOM 1107 CD1 ILE A 64 17.350 -3.835 -5.612 1.00 0.00 C ATOM 0 H ILE A 64 15.714 -5.825 -2.916 1.00 0.00 H new ATOM 0 HA ILE A 64 17.833 -3.873 -2.725 1.00 0.00 H new ATOM 0 HB ILE A 64 14.872 -3.734 -3.149 1.00 0.00 H new ATOM 0 HG12 ILE A 64 15.849 -5.156 -4.859 1.00 0.00 H new ATOM 0 HG13 ILE A 64 15.221 -3.671 -5.547 1.00 0.00 H new ATOM 0 HG21 ILE A 64 15.327 -1.574 -4.326 1.00 0.00 H new ATOM 0 HG22 ILE A 64 15.763 -1.538 -2.601 1.00 0.00 H new ATOM 0 HG23 ILE A 64 17.033 -1.706 -3.836 1.00 0.00 H new ATOM 0 HD11 ILE A 64 17.339 -4.297 -6.599 1.00 0.00 H new ATOM 0 HD12 ILE A 64 17.515 -2.763 -5.715 1.00 0.00 H new ATOM 0 HD13 ILE A 64 18.153 -4.270 -5.017 1.00 0.00 H new