USER MOD reduce.3.24.130724 H: found=0, std=0, add=656, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 653 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 21 SER OG : rot 76:sc= 0.132 USER MOD Set 1.2: A 23 HIS : no HE2:sc= -9.2! C(o=-9.1!,f=-7.8!) USER MOD Set 2.1: A 5 CYS SG : rot 98:sc= 2.87 USER MOD Set 2.2: A 10 CYS SG : rot -180:sc= 0.173 USER MOD Set 2.3: A 12 ASN : amide:sc= -2.06! C(o=-3.8!,f=-4.3!) USER MOD Set 2.4: A 54 CYS SG : rot -85:sc= -3.3! USER MOD Set 2.5: A 57 HIS : no HD1:sc= -1.5 K(o=-3.8,f=-18!) USER MOD Set 3.1: A 4 SER OG : rot 77:sc= 0.724 USER MOD Set 3.2: A 46 LYS NZ :NH3+ -163:sc= 0 (180deg=-0.287) USER MOD Single : A 3 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 6 SER OG : rot -34:sc= 0.069 USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ -144:sc= 1.21 (180deg=0.875) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 71:sc= 0.172 USER MOD Single : A 33 CYS SG : rot 5:sc= -2.99! USER MOD Single : A 34 LYS NZ :NH3+ 134:sc= -0.323 (180deg=-1.19!) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 ASN : amide:sc= -1.09! C(o=-1.1!,f=-8.7!) USER MOD Single : A 48 THR OG1 : rot -160:sc= -0.04 USER MOD Single : A 49 LYS NZ :NH3+ 157:sc= 1.2 (180deg=0.203) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot -63:sc= -4.56! USER MOD Single : A 52 SER OG : rot 180:sc= 0.00778 USER MOD Single : A 55 SER OG : rot 120:sc= -1.17 USER MOD Single : A 59 THR OG1 : rot 180:sc= 0.0554 USER MOD Single : A 62 SER OG : rot -143:sc= -2.57! USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 SER OG : rot -124:sc= -4.57! USER MOD Single : A 68 ASN : amide:sc= 0 K(o=0,f=-2.7!) USER MOD Single : A 69 ASN : amide:sc=-0.00225 X(o=-0.0023,f=-0.21) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ -150:sc=-0.00813 (180deg=-0.772) USER MOD Single : A 75 ASN : amide:sc= -1.74 K(o=-1.7,f=-0.019) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 36 N GLN A 3 -7.992 -4.336 -6.007 1.00 10.00 N ATOM 37 CA GLN A 3 -9.377 -3.936 -5.885 1.00 10.00 C ATOM 38 C GLN A 3 -9.502 -2.422 -5.977 1.00 10.00 C ATOM 39 O GLN A 3 -10.094 -1.919 -6.933 1.00 10.00 O ATOM 40 CB GLN A 3 -9.953 -4.453 -4.560 1.00 10.00 C ATOM 41 CG GLN A 3 -10.187 -5.961 -4.555 1.00 10.00 C ATOM 42 CD GLN A 3 -10.476 -6.525 -3.172 1.00 10.00 C ATOM 43 OE1 GLN A 3 -9.568 -6.984 -2.477 1.00 10.00 O ATOM 44 NE2 GLN A 3 -11.738 -6.514 -2.765 1.00 10.00 N ATOM 0 HA GLN A 3 -9.948 -4.371 -6.705 1.00 10.00 H new ATOM 0 HB2 GLN A 3 -9.272 -4.195 -3.749 1.00 10.00 H new ATOM 0 HB3 GLN A 3 -10.896 -3.945 -4.358 1.00 10.00 H new ATOM 0 HG2 GLN A 3 -11.022 -6.193 -5.215 1.00 10.00 H new ATOM 0 HG3 GLN A 3 -9.308 -6.459 -4.965 1.00 10.00 H new ATOM 0 HE21 GLN A 3 -12.465 -6.126 -3.367 1.00 10.00 H new ATOM 0 HE22 GLN A 3 -11.982 -6.894 -1.850 1.00 10.00 H new ATOM 53 N SER A 4 -8.925 -1.704 -5.010 1.00 10.00 N ATOM 54 CA SER A 4 -8.962 -0.246 -5.026 1.00 10.00 C ATOM 55 C SER A 4 -8.316 0.340 -3.762 1.00 10.00 C ATOM 56 O SER A 4 -7.996 -0.391 -2.821 1.00 10.00 O ATOM 57 CB SER A 4 -10.434 0.188 -5.133 1.00 10.00 C ATOM 58 OG SER A 4 -10.714 1.404 -4.451 1.00 10.00 O ATOM 0 H SER A 4 -8.431 -2.108 -4.214 1.00 10.00 H new ATOM 0 HA SER A 4 -8.393 0.128 -5.877 1.00 10.00 H new ATOM 0 HB2 SER A 4 -10.696 0.301 -6.185 1.00 10.00 H new ATOM 0 HB3 SER A 4 -11.068 -0.601 -4.729 1.00 10.00 H new ATOM 0 HG SER A 4 -10.383 2.160 -4.980 1.00 10.00 H new ATOM 64 N CYS A 5 -8.143 1.667 -3.763 1.00 10.00 N ATOM 65 CA CYS A 5 -7.494 2.366 -2.663 1.00 10.00 C ATOM 66 C CYS A 5 -8.537 2.529 -1.556 1.00 10.00 C ATOM 67 O CYS A 5 -9.746 2.407 -1.768 1.00 10.00 O ATOM 68 CB CYS A 5 -6.983 3.726 -3.163 1.00 10.00 C ATOM 69 SG CYS A 5 -7.048 3.905 -4.959 1.00 10.00 S ATOM 0 H CYS A 5 -8.448 2.276 -4.522 1.00 10.00 H new ATOM 0 HA CYS A 5 -6.637 1.814 -2.278 1.00 10.00 H new ATOM 0 HB2 CYS A 5 -7.575 4.518 -2.705 1.00 10.00 H new ATOM 0 HB3 CYS A 5 -5.955 3.864 -2.829 1.00 10.00 H new ATOM 0 HG CYS A 5 -8.127 4.549 -5.292 1.00 10.00 H new ATOM 74 N SER A 6 -8.003 2.838 -0.359 1.00 10.00 N ATOM 75 CA SER A 6 -8.773 3.069 0.850 1.00 10.00 C ATOM 76 C SER A 6 -9.528 4.400 0.795 1.00 10.00 C ATOM 77 O SER A 6 -10.142 4.814 1.773 1.00 10.00 O ATOM 78 CB SER A 6 -7.820 3.038 2.057 1.00 10.00 C ATOM 79 OG SER A 6 -8.521 2.887 3.285 1.00 10.00 O ATOM 0 H SER A 6 -6.998 2.933 -0.216 1.00 10.00 H new ATOM 0 HA SER A 6 -9.522 2.283 0.946 1.00 10.00 H new ATOM 0 HB2 SER A 6 -7.113 2.217 1.940 1.00 10.00 H new ATOM 0 HB3 SER A 6 -7.237 3.959 2.083 1.00 10.00 H new ATOM 0 HG SER A 6 -9.382 3.351 3.229 1.00 10.00 H new ATOM 85 N ALA A 7 -9.404 5.093 -0.337 1.00 10.00 N ATOM 86 CA ALA A 7 -10.091 6.369 -0.568 1.00 10.00 C ATOM 87 C ALA A 7 -11.623 6.245 -0.462 1.00 10.00 C ATOM 88 O ALA A 7 -12.157 5.391 0.238 1.00 10.00 O ATOM 89 CB ALA A 7 -9.724 6.912 -1.940 1.00 10.00 C ATOM 0 H ALA A 7 -8.826 4.788 -1.120 1.00 10.00 H new ATOM 0 HA ALA A 7 -9.762 7.054 0.213 1.00 10.00 H new ATOM 0 HB1 ALA A 7 -10.237 7.859 -2.106 1.00 10.00 H new ATOM 0 HB2 ALA A 7 -8.647 7.069 -1.993 1.00 10.00 H new ATOM 0 HB3 ALA A 7 -10.025 6.198 -2.706 1.00 10.00 H new ATOM 95 N TYR A 8 -12.344 7.083 -1.195 1.00 10.00 N ATOM 96 CA TYR A 8 -13.791 7.057 -1.129 1.00 10.00 C ATOM 97 C TYR A 8 -14.351 6.614 -2.476 1.00 10.00 C ATOM 98 O TYR A 8 -14.851 7.422 -3.255 1.00 10.00 O ATOM 99 CB TYR A 8 -14.340 8.437 -0.718 1.00 10.00 C ATOM 100 CG TYR A 8 -15.845 8.498 -0.495 1.00 10.00 C ATOM 101 CD1 TYR A 8 -16.682 7.429 -0.804 1.00 10.00 C ATOM 102 CD2 TYR A 8 -16.426 9.651 0.014 1.00 10.00 C ATOM 103 CE1 TYR A 8 -18.043 7.508 -0.617 1.00 10.00 C ATOM 104 CE2 TYR A 8 -17.790 9.733 0.208 1.00 10.00 C ATOM 105 CZ TYR A 8 -18.592 8.657 -0.111 1.00 10.00 C ATOM 106 OH TYR A 8 -19.949 8.728 0.074 1.00 10.00 O ATOM 0 H TYR A 8 -11.954 7.778 -1.832 1.00 10.00 H new ATOM 0 HA TYR A 8 -14.107 6.342 -0.369 1.00 10.00 H new ATOM 0 HB2 TYR A 8 -13.840 8.750 0.199 1.00 10.00 H new ATOM 0 HB3 TYR A 8 -14.074 9.160 -1.489 1.00 10.00 H new ATOM 0 HD1 TYR A 8 -16.254 6.519 -1.199 1.00 10.00 H new ATOM 0 HD2 TYR A 8 -15.802 10.497 0.262 1.00 10.00 H new ATOM 0 HE1 TYR A 8 -18.675 6.669 -0.868 1.00 10.00 H new ATOM 0 HE2 TYR A 8 -18.228 10.636 0.608 1.00 10.00 H new ATOM 0 HH TYR A 8 -20.184 9.606 0.440 1.00 10.00 H new ATOM 116 N GLY A 9 -14.212 5.330 -2.754 1.00 10.00 N ATOM 117 CA GLY A 9 -14.735 4.784 -3.988 1.00 10.00 C ATOM 118 C GLY A 9 -13.803 4.909 -5.174 1.00 10.00 C ATOM 119 O GLY A 9 -14.250 4.828 -6.320 1.00 10.00 O ATOM 0 H GLY A 9 -13.746 4.654 -2.148 1.00 10.00 H new ATOM 0 HA2 GLY A 9 -14.968 3.730 -3.834 1.00 10.00 H new ATOM 0 HA3 GLY A 9 -15.673 5.287 -4.224 1.00 10.00 H new ATOM 123 N CYS A 10 -12.509 5.067 -4.926 1.00 10.00 N ATOM 124 CA CYS A 10 -11.537 5.211 -5.994 1.00 10.00 C ATOM 125 C CYS A 10 -11.147 3.883 -6.590 1.00 10.00 C ATOM 126 O CYS A 10 -10.098 3.320 -6.258 1.00 10.00 O ATOM 127 CB CYS A 10 -10.297 5.959 -5.519 1.00 10.00 C ATOM 128 SG CYS A 10 -8.994 6.020 -6.764 1.00 10.00 S ATOM 0 H CYS A 10 -12.110 5.098 -3.988 1.00 10.00 H new ATOM 0 HA CYS A 10 -12.020 5.798 -6.776 1.00 10.00 H new ATOM 0 HB2 CYS A 10 -10.576 6.976 -5.242 1.00 10.00 H new ATOM 0 HB3 CYS A 10 -9.911 5.478 -4.620 1.00 10.00 H new ATOM 0 HG CYS A 10 -7.969 6.662 -6.288 1.00 10.00 H new ATOM 133 N LYS A 11 -12.032 3.325 -7.388 1.00 10.00 N ATOM 134 CA LYS A 11 -11.738 2.084 -8.067 1.00 10.00 C ATOM 135 C LYS A 11 -10.724 2.363 -9.170 1.00 10.00 C ATOM 136 O LYS A 11 -11.023 2.201 -10.348 1.00 10.00 O ATOM 137 CB LYS A 11 -13.008 1.467 -8.636 1.00 10.00 C ATOM 138 CG LYS A 11 -13.977 0.984 -7.566 1.00 10.00 C ATOM 139 CD LYS A 11 -14.393 -0.463 -7.795 1.00 10.00 C ATOM 140 CE LYS A 11 -15.156 -1.028 -6.603 1.00 10.00 C ATOM 141 NZ LYS A 11 -15.355 -2.505 -6.710 1.00 10.00 N ATOM 0 H LYS A 11 -12.957 3.710 -7.581 1.00 10.00 H new ATOM 0 HA LYS A 11 -11.319 1.367 -7.361 1.00 10.00 H new ATOM 0 HB2 LYS A 11 -13.510 2.202 -9.265 1.00 10.00 H new ATOM 0 HB3 LYS A 11 -12.740 0.628 -9.278 1.00 10.00 H new ATOM 0 HG2 LYS A 11 -13.512 1.078 -6.585 1.00 10.00 H new ATOM 0 HG3 LYS A 11 -14.862 1.621 -7.562 1.00 10.00 H new ATOM 0 HD2 LYS A 11 -15.015 -0.525 -8.688 1.00 10.00 H new ATOM 0 HD3 LYS A 11 -13.507 -1.071 -7.981 1.00 10.00 H new ATOM 0 HE2 LYS A 11 -14.613 -0.802 -5.685 1.00 10.00 H new ATOM 0 HE3 LYS A 11 -16.126 -0.537 -6.529 1.00 10.00 H new ATOM 0 HZ1 LYS A 11 -15.878 -2.846 -5.878 1.00 10.00 H new ATOM 0 HZ2 LYS A 11 -15.896 -2.721 -7.572 1.00 10.00 H new ATOM 0 HZ3 LYS A 11 -14.430 -2.978 -6.755 1.00 10.00 H new ATOM 155 N ASN A 12 -9.517 2.763 -8.798 1.00 10.00 N ATOM 156 CA ASN A 12 -8.477 3.073 -9.784 1.00 10.00 C ATOM 157 C ASN A 12 -7.677 1.839 -10.153 1.00 10.00 C ATOM 158 O ASN A 12 -6.470 1.942 -10.382 1.00 10.00 O ATOM 159 CB ASN A 12 -7.500 4.093 -9.226 1.00 10.00 C ATOM 160 CG ASN A 12 -7.672 5.483 -9.811 1.00 10.00 C ATOM 161 OD1 ASN A 12 -8.778 5.918 -10.118 1.00 10.00 O ATOM 162 ND2 ASN A 12 -6.563 6.183 -9.978 1.00 10.00 N ATOM 0 H ASN A 12 -9.229 2.882 -7.827 1.00 10.00 H new ATOM 0 HA ASN A 12 -8.987 3.464 -10.664 1.00 10.00 H new ATOM 0 HB2 ASN A 12 -7.621 4.146 -8.144 1.00 10.00 H new ATOM 0 HB3 ASN A 12 -6.483 3.751 -9.416 1.00 10.00 H new ATOM 0 HD21 ASN A 12 -6.607 7.121 -10.375 1.00 10.00 H new ATOM 0 HD22 ASN A 12 -5.663 5.785 -9.710 1.00 10.00 H new ATOM 169 N ARG A 13 -8.341 0.690 -10.119 1.00 10.00 N ATOM 170 CA ARG A 13 -7.758 -0.623 -10.462 1.00 10.00 C ATOM 171 C ARG A 13 -6.554 -0.481 -11.419 1.00 10.00 C ATOM 172 O ARG A 13 -6.646 0.245 -12.412 1.00 10.00 O ATOM 173 CB ARG A 13 -8.858 -1.472 -11.109 1.00 10.00 C ATOM 174 CG ARG A 13 -8.804 -2.973 -10.814 1.00 10.00 C ATOM 175 CD ARG A 13 -7.439 -3.560 -11.115 1.00 10.00 C ATOM 176 NE ARG A 13 -7.477 -5.017 -11.255 1.00 10.00 N ATOM 177 CZ ARG A 13 -6.546 -5.728 -11.884 1.00 10.00 C ATOM 178 NH1 ARG A 13 -5.581 -5.118 -12.555 1.00 10.00 N ATOM 179 NH2 ARG A 13 -6.601 -7.053 -11.876 1.00 10.00 N ATOM 0 H ARG A 13 -9.323 0.632 -9.847 1.00 10.00 H new ATOM 0 HA ARG A 13 -7.385 -1.101 -9.556 1.00 10.00 H new ATOM 0 HB2 ARG A 13 -9.825 -1.091 -10.780 1.00 10.00 H new ATOM 0 HB3 ARG A 13 -8.811 -1.332 -12.189 1.00 10.00 H new ATOM 0 HG2 ARG A 13 -9.051 -3.146 -9.766 1.00 10.00 H new ATOM 0 HG3 ARG A 13 -9.559 -3.487 -11.408 1.00 10.00 H new ATOM 0 HD2 ARG A 13 -7.051 -3.119 -12.034 1.00 10.00 H new ATOM 0 HD3 ARG A 13 -6.747 -3.292 -10.316 1.00 10.00 H new ATOM 0 HE ARG A 13 -8.266 -5.517 -10.845 1.00 10.00 H new ATOM 0 HH11 ARG A 13 -5.550 -4.099 -12.591 1.00 10.00 H new ATOM 0 HH12 ARG A 13 -4.869 -5.667 -13.036 1.00 10.00 H new ATOM 0 HH21 ARG A 13 -7.359 -7.529 -11.387 1.00 10.00 H new ATOM 0 HH22 ARG A 13 -5.886 -7.596 -12.359 1.00 10.00 H new ATOM 193 N TYR A 14 -5.453 -1.195 -11.122 1.00 10.00 N ATOM 194 CA TYR A 14 -4.226 -1.122 -11.933 1.00 10.00 C ATOM 195 C TYR A 14 -4.539 -1.170 -13.412 1.00 10.00 C ATOM 196 O TYR A 14 -5.000 -2.183 -13.951 1.00 10.00 O ATOM 197 CB TYR A 14 -3.235 -2.239 -11.597 1.00 10.00 C ATOM 198 CG TYR A 14 -1.835 -1.743 -11.270 1.00 10.00 C ATOM 199 CD1 TYR A 14 -1.133 -0.892 -12.133 1.00 10.00 C ATOM 200 CD2 TYR A 14 -1.221 -2.117 -10.081 1.00 10.00 C ATOM 201 CE1 TYR A 14 0.136 -0.439 -11.804 1.00 10.00 C ATOM 202 CE2 TYR A 14 0.044 -1.669 -9.756 1.00 10.00 C ATOM 203 CZ TYR A 14 0.716 -0.832 -10.617 1.00 10.00 C ATOM 204 OH TYR A 14 1.981 -0.386 -10.287 1.00 10.00 O ATOM 0 H TYR A 14 -5.389 -1.829 -10.326 1.00 10.00 H new ATOM 0 HA TYR A 14 -3.763 -0.166 -11.688 1.00 10.00 H new ATOM 0 HB2 TYR A 14 -3.616 -2.806 -10.748 1.00 10.00 H new ATOM 0 HB3 TYR A 14 -3.178 -2.927 -12.441 1.00 10.00 H new ATOM 0 HD1 TYR A 14 -1.585 -0.585 -13.065 1.00 10.00 H new ATOM 0 HD2 TYR A 14 -1.743 -2.771 -9.398 1.00 10.00 H new ATOM 0 HE1 TYR A 14 0.668 0.219 -12.475 1.00 10.00 H new ATOM 0 HE2 TYR A 14 0.505 -1.975 -8.828 1.00 10.00 H new ATOM 0 HH TYR A 14 2.242 -0.755 -9.417 1.00 10.00 H new ATOM 214 N ASP A 15 -4.304 -0.038 -14.028 1.00 10.00 N ATOM 215 CA ASP A 15 -4.477 0.157 -15.439 1.00 10.00 C ATOM 216 C ASP A 15 -3.273 0.934 -15.908 1.00 10.00 C ATOM 217 O ASP A 15 -3.110 2.098 -15.557 1.00 10.00 O ATOM 218 CB ASP A 15 -5.767 0.930 -15.739 1.00 10.00 C ATOM 219 CG ASP A 15 -6.145 0.915 -17.204 1.00 10.00 C ATOM 220 OD1 ASP A 15 -5.310 0.507 -18.034 1.00 10.00 O ATOM 221 OD2 ASP A 15 -7.290 1.299 -17.534 1.00 10.00 O ATOM 0 H ASP A 15 -3.977 0.797 -13.542 1.00 10.00 H new ATOM 0 HA ASP A 15 -4.561 -0.799 -15.955 1.00 10.00 H new ATOM 0 HB2 ASP A 15 -6.583 0.503 -15.156 1.00 10.00 H new ATOM 0 HB3 ASP A 15 -5.648 1.963 -15.412 1.00 10.00 H new ATOM 226 N LYS A 16 -2.419 0.271 -16.657 1.00 10.00 N ATOM 227 CA LYS A 16 -1.200 0.868 -17.185 1.00 10.00 C ATOM 228 C LYS A 16 -1.517 2.044 -18.098 1.00 10.00 C ATOM 229 O LYS A 16 -0.656 2.864 -18.420 1.00 10.00 O ATOM 230 CB LYS A 16 -0.446 -0.203 -17.952 1.00 10.00 C ATOM 231 CG LYS A 16 -0.704 -0.156 -19.451 1.00 10.00 C ATOM 232 CD LYS A 16 -0.862 -1.548 -20.031 1.00 10.00 C ATOM 233 CE LYS A 16 -1.504 -1.526 -21.412 1.00 10.00 C ATOM 234 NZ LYS A 16 -2.985 -1.442 -21.320 1.00 10.00 N ATOM 0 H LYS A 16 -2.547 -0.706 -16.922 1.00 10.00 H new ATOM 0 HA LYS A 16 -0.593 1.248 -16.363 1.00 10.00 H new ATOM 0 HB2 LYS A 16 0.622 -0.088 -17.769 1.00 10.00 H new ATOM 0 HB3 LYS A 16 -0.731 -1.184 -17.571 1.00 10.00 H new ATOM 0 HG2 LYS A 16 -1.604 0.426 -19.648 1.00 10.00 H new ATOM 0 HG3 LYS A 16 0.121 0.355 -19.948 1.00 10.00 H new ATOM 0 HD2 LYS A 16 0.115 -2.027 -20.094 1.00 10.00 H new ATOM 0 HD3 LYS A 16 -1.470 -2.153 -19.359 1.00 10.00 H new ATOM 0 HE2 LYS A 16 -1.124 -0.675 -21.978 1.00 10.00 H new ATOM 0 HE3 LYS A 16 -1.222 -2.425 -21.960 1.00 10.00 H new ATOM 0 HZ1 LYS A 16 -3.413 -2.003 -22.084 1.00 10.00 H new ATOM 0 HZ2 LYS A 16 -3.297 -1.814 -20.401 1.00 10.00 H new ATOM 0 HZ3 LYS A 16 -3.283 -0.450 -21.411 1.00 10.00 H new ATOM 248 N ASP A 17 -2.772 2.103 -18.507 1.00 10.00 N ATOM 249 CA ASP A 17 -3.245 3.162 -19.367 1.00 10.00 C ATOM 250 C ASP A 17 -3.346 4.451 -18.566 1.00 10.00 C ATOM 251 O ASP A 17 -3.312 5.556 -19.112 1.00 10.00 O ATOM 252 CB ASP A 17 -4.614 2.826 -19.952 1.00 10.00 C ATOM 253 CG ASP A 17 -4.527 2.035 -21.239 1.00 10.00 C ATOM 254 OD1 ASP A 17 -4.330 0.802 -21.182 1.00 10.00 O ATOM 255 OD2 ASP A 17 -4.661 2.643 -22.318 1.00 10.00 O ATOM 0 H ASP A 17 -3.485 1.420 -18.251 1.00 10.00 H new ATOM 0 HA ASP A 17 -2.538 3.280 -20.188 1.00 10.00 H new ATOM 0 HB2 ASP A 17 -5.187 2.257 -19.220 1.00 10.00 H new ATOM 0 HB3 ASP A 17 -5.162 3.750 -20.136 1.00 10.00 H new ATOM 260 N LYS A 18 -3.503 4.278 -17.258 1.00 10.00 N ATOM 261 CA LYS A 18 -3.593 5.389 -16.314 1.00 10.00 C ATOM 262 C LYS A 18 -2.248 5.516 -15.587 1.00 10.00 C ATOM 263 O LYS A 18 -1.571 4.512 -15.362 1.00 10.00 O ATOM 264 CB LYS A 18 -4.761 5.171 -15.331 1.00 10.00 C ATOM 265 CG LYS A 18 -4.366 4.577 -13.982 1.00 10.00 C ATOM 266 CD LYS A 18 -5.549 3.922 -13.277 1.00 10.00 C ATOM 267 CE LYS A 18 -6.751 4.857 -13.169 1.00 10.00 C ATOM 268 NZ LYS A 18 -7.962 4.302 -13.843 1.00 10.00 N ATOM 0 H LYS A 18 -3.572 3.360 -16.820 1.00 10.00 H new ATOM 0 HA LYS A 18 -3.799 6.320 -16.842 1.00 10.00 H new ATOM 0 HB2 LYS A 18 -5.255 6.127 -15.159 1.00 10.00 H new ATOM 0 HB3 LYS A 18 -5.493 4.514 -15.800 1.00 10.00 H new ATOM 0 HG2 LYS A 18 -3.577 3.839 -14.128 1.00 10.00 H new ATOM 0 HG3 LYS A 18 -3.955 5.362 -13.347 1.00 10.00 H new ATOM 0 HD2 LYS A 18 -5.839 3.022 -13.820 1.00 10.00 H new ATOM 0 HD3 LYS A 18 -5.245 3.608 -12.278 1.00 10.00 H new ATOM 0 HE2 LYS A 18 -6.974 5.039 -12.118 1.00 10.00 H new ATOM 0 HE3 LYS A 18 -6.500 5.820 -13.613 1.00 10.00 H new ATOM 0 HZ1 LYS A 18 -8.752 4.971 -13.743 1.00 10.00 H new ATOM 0 HZ2 LYS A 18 -7.760 4.153 -14.852 1.00 10.00 H new ATOM 0 HZ3 LYS A 18 -8.219 3.395 -13.403 1.00 10.00 H new ATOM 282 N PRO A 19 -1.825 6.733 -15.209 1.00 10.00 N ATOM 283 CA PRO A 19 -0.525 6.928 -14.570 1.00 10.00 C ATOM 284 C PRO A 19 -0.501 6.872 -13.038 1.00 10.00 C ATOM 285 O PRO A 19 -0.394 7.908 -12.383 1.00 10.00 O ATOM 286 CB PRO A 19 -0.161 8.331 -15.050 1.00 10.00 C ATOM 287 CG PRO A 19 -1.466 9.049 -15.233 1.00 10.00 C ATOM 288 CD PRO A 19 -2.547 8.001 -15.374 1.00 10.00 C ATOM 0 HA PRO A 19 0.159 6.122 -14.837 1.00 10.00 H new ATOM 0 HB2 PRO A 19 0.469 8.843 -14.322 1.00 10.00 H new ATOM 0 HB3 PRO A 19 0.399 8.292 -15.984 1.00 10.00 H new ATOM 0 HG2 PRO A 19 -1.670 9.697 -14.381 1.00 10.00 H new ATOM 0 HG3 PRO A 19 -1.432 9.686 -16.117 1.00 10.00 H new ATOM 0 HD2 PRO A 19 -3.323 8.122 -14.618 1.00 10.00 H new ATOM 0 HD3 PRO A 19 -3.037 8.059 -16.346 1.00 10.00 H new ATOM 296 N VAL A 20 -0.583 5.680 -12.468 1.00 10.00 N ATOM 297 CA VAL A 20 -0.510 5.542 -11.008 1.00 10.00 C ATOM 298 C VAL A 20 0.235 4.264 -10.603 1.00 10.00 C ATOM 299 O VAL A 20 0.188 3.245 -11.298 1.00 10.00 O ATOM 300 CB VAL A 20 -1.906 5.554 -10.306 1.00 10.00 C ATOM 301 CG1 VAL A 20 -2.791 6.712 -10.748 1.00 10.00 C ATOM 302 CG2 VAL A 20 -2.641 4.238 -10.491 1.00 10.00 C ATOM 0 H VAL A 20 -0.698 4.804 -12.977 1.00 10.00 H new ATOM 0 HA VAL A 20 0.039 6.421 -10.670 1.00 10.00 H new ATOM 0 HB VAL A 20 -1.695 5.694 -9.246 1.00 10.00 H new ATOM 0 HG11 VAL A 20 -3.745 6.662 -10.223 1.00 10.00 H new ATOM 0 HG12 VAL A 20 -2.298 7.656 -10.515 1.00 10.00 H new ATOM 0 HG13 VAL A 20 -2.964 6.648 -11.822 1.00 10.00 H new ATOM 0 HG21 VAL A 20 -3.607 4.287 -9.988 1.00 10.00 H new ATOM 0 HG22 VAL A 20 -2.794 4.053 -11.554 1.00 10.00 H new ATOM 0 HG23 VAL A 20 -2.050 3.428 -10.063 1.00 10.00 H new ATOM 312 N SER A 21 0.960 4.355 -9.485 1.00 10.00 N ATOM 313 CA SER A 21 1.691 3.227 -8.909 1.00 10.00 C ATOM 314 C SER A 21 0.938 2.733 -7.677 1.00 10.00 C ATOM 315 O SER A 21 0.067 3.453 -7.173 1.00 10.00 O ATOM 316 CB SER A 21 3.113 3.661 -8.533 1.00 10.00 C ATOM 317 OG SER A 21 3.141 5.021 -8.109 1.00 10.00 O ATOM 0 H SER A 21 1.056 5.219 -8.952 1.00 10.00 H new ATOM 0 HA SER A 21 1.764 2.419 -9.637 1.00 10.00 H new ATOM 0 HB2 SER A 21 3.493 3.021 -7.737 1.00 10.00 H new ATOM 0 HB3 SER A 21 3.774 3.531 -9.390 1.00 10.00 H new ATOM 0 HG SER A 21 2.778 5.088 -7.201 1.00 10.00 H new ATOM 323 N PHE A 22 1.267 1.557 -7.151 1.00 10.00 N ATOM 324 CA PHE A 22 0.501 1.062 -6.017 1.00 10.00 C ATOM 325 C PHE A 22 1.253 0.882 -4.684 1.00 10.00 C ATOM 326 O PHE A 22 1.964 -0.100 -4.506 1.00 10.00 O ATOM 327 CB PHE A 22 -0.241 -0.230 -6.383 1.00 10.00 C ATOM 328 CG PHE A 22 -1.738 -0.049 -6.524 1.00 10.00 C ATOM 329 CD1 PHE A 22 -2.513 0.339 -5.437 1.00 10.00 C ATOM 330 CD2 PHE A 22 -2.371 -0.264 -7.743 1.00 10.00 C ATOM 331 CE1 PHE A 22 -3.881 0.507 -5.567 1.00 10.00 C ATOM 332 CE2 PHE A 22 -3.741 -0.098 -7.876 1.00 10.00 C ATOM 333 CZ PHE A 22 -4.495 0.288 -6.785 1.00 10.00 C ATOM 0 H PHE A 22 2.023 0.954 -7.474 1.00 10.00 H new ATOM 0 HA PHE A 22 -0.196 1.875 -5.816 1.00 10.00 H new ATOM 0 HB2 PHE A 22 0.160 -0.617 -7.320 1.00 10.00 H new ATOM 0 HB3 PHE A 22 -0.045 -0.981 -5.618 1.00 10.00 H new ATOM 0 HD1 PHE A 22 -2.042 0.511 -4.480 1.00 10.00 H new ATOM 0 HD2 PHE A 22 -1.786 -0.565 -8.600 1.00 10.00 H new ATOM 0 HE1 PHE A 22 -4.470 0.810 -4.714 1.00 10.00 H new ATOM 0 HE2 PHE A 22 -4.217 -0.270 -8.830 1.00 10.00 H new ATOM 0 HZ PHE A 22 -5.563 0.418 -6.884 1.00 10.00 H new ATOM 343 N HIS A 23 1.096 1.787 -3.750 1.00 10.00 N ATOM 344 CA HIS A 23 1.938 1.768 -2.539 1.00 10.00 C ATOM 345 C HIS A 23 1.242 1.328 -1.297 1.00 10.00 C ATOM 346 O HIS A 23 0.048 1.388 -1.197 1.00 10.00 O ATOM 347 CB HIS A 23 2.421 3.173 -2.233 1.00 10.00 C ATOM 348 CG HIS A 23 2.090 4.156 -3.281 1.00 10.00 C ATOM 349 ND1 HIS A 23 0.815 4.597 -3.437 1.00 10.00 N ATOM 350 CD2 HIS A 23 2.816 4.708 -4.275 1.00 10.00 C ATOM 351 CE1 HIS A 23 0.741 5.367 -4.476 1.00 10.00 C ATOM 352 NE2 HIS A 23 1.944 5.467 -5.021 1.00 10.00 N ATOM 0 H HIS A 23 0.410 2.541 -3.785 1.00 10.00 H new ATOM 0 HA HIS A 23 2.731 1.058 -2.775 1.00 10.00 H new ATOM 0 HB2 HIS A 23 1.984 3.500 -1.290 1.00 10.00 H new ATOM 0 HB3 HIS A 23 3.502 3.154 -2.094 1.00 10.00 H new ATOM 0 HD1 HIS A 23 0.033 4.358 -2.827 1.00 10.00 H new ATOM 0 HD2 HIS A 23 3.874 4.579 -4.451 1.00 10.00 H new ATOM 0 HE1 HIS A 23 -0.155 5.849 -4.839 1.00 10.00 H new ATOM 361 N LYS A 24 2.027 0.939 -0.321 1.00 10.00 N ATOM 362 CA LYS A 24 1.448 0.545 0.935 1.00 10.00 C ATOM 363 C LYS A 24 1.427 1.714 1.918 1.00 10.00 C ATOM 364 O LYS A 24 2.101 2.715 1.677 1.00 10.00 O ATOM 365 CB LYS A 24 2.209 -0.634 1.534 1.00 10.00 C ATOM 366 CG LYS A 24 1.498 -1.964 1.329 1.00 10.00 C ATOM 367 CD LYS A 24 2.447 -3.149 1.435 1.00 10.00 C ATOM 368 CE LYS A 24 3.013 -3.302 2.839 1.00 10.00 C ATOM 369 NZ LYS A 24 4.229 -4.156 2.858 1.00 10.00 N ATOM 0 H LYS A 24 3.044 0.888 -0.371 1.00 10.00 H new ATOM 0 HA LYS A 24 0.420 0.236 0.747 1.00 10.00 H new ATOM 0 HB2 LYS A 24 3.201 -0.685 1.085 1.00 10.00 H new ATOM 0 HB3 LYS A 24 2.350 -0.464 2.601 1.00 10.00 H new ATOM 0 HG2 LYS A 24 0.706 -2.068 2.071 1.00 10.00 H new ATOM 0 HG3 LYS A 24 1.020 -1.971 0.349 1.00 10.00 H new ATOM 0 HD2 LYS A 24 1.920 -4.061 1.155 1.00 10.00 H new ATOM 0 HD3 LYS A 24 3.265 -3.023 0.726 1.00 10.00 H new ATOM 0 HE2 LYS A 24 3.254 -2.318 3.242 1.00 10.00 H new ATOM 0 HE3 LYS A 24 2.255 -3.736 3.491 1.00 10.00 H new ATOM 0 HZ1 LYS A 24 4.583 -4.235 3.833 1.00 10.00 H new ATOM 0 HZ2 LYS A 24 3.994 -5.103 2.498 1.00 10.00 H new ATOM 0 HZ3 LYS A 24 4.962 -3.729 2.257 1.00 10.00 H new ATOM 383 N PHE A 25 0.642 1.630 2.972 1.00 10.00 N ATOM 384 CA PHE A 25 0.575 2.718 3.957 1.00 10.00 C ATOM 385 C PHE A 25 1.956 3.001 4.565 1.00 10.00 C ATOM 386 O PHE A 25 2.830 2.131 4.565 1.00 10.00 O ATOM 387 CB PHE A 25 -0.368 2.325 5.080 1.00 10.00 C ATOM 388 CG PHE A 25 -1.724 2.988 5.086 1.00 10.00 C ATOM 389 CD1 PHE A 25 -2.653 2.736 4.096 1.00 10.00 C ATOM 390 CD2 PHE A 25 -2.089 3.821 6.129 1.00 10.00 C ATOM 391 CE1 PHE A 25 -3.910 3.316 4.140 1.00 10.00 C ATOM 392 CE2 PHE A 25 -3.340 4.389 6.184 1.00 10.00 C ATOM 393 CZ PHE A 25 -4.251 4.139 5.187 1.00 10.00 C ATOM 0 H PHE A 25 0.042 0.832 3.178 1.00 10.00 H new ATOM 0 HA PHE A 25 0.219 3.613 3.446 1.00 10.00 H new ATOM 0 HB2 PHE A 25 -0.516 1.246 5.039 1.00 10.00 H new ATOM 0 HB3 PHE A 25 0.122 2.543 6.029 1.00 10.00 H new ATOM 0 HD1 PHE A 25 -2.397 2.079 3.278 1.00 10.00 H new ATOM 0 HD2 PHE A 25 -1.378 4.029 6.915 1.00 10.00 H new ATOM 0 HE1 PHE A 25 -4.622 3.122 3.352 1.00 10.00 H new ATOM 0 HE2 PHE A 25 -3.606 5.031 7.011 1.00 10.00 H new ATOM 0 HZ PHE A 25 -5.233 4.588 5.225 1.00 10.00 H new ATOM 403 N PRO A 26 2.164 4.212 5.118 1.00 10.00 N ATOM 404 CA PRO A 26 3.431 4.593 5.764 1.00 10.00 C ATOM 405 C PRO A 26 3.482 3.975 7.154 1.00 10.00 C ATOM 406 O PRO A 26 3.465 4.642 8.187 1.00 10.00 O ATOM 407 CB PRO A 26 3.273 6.111 5.895 1.00 10.00 C ATOM 408 CG PRO A 26 1.820 6.269 6.147 1.00 10.00 C ATOM 409 CD PRO A 26 1.179 5.311 5.187 1.00 10.00 C ATOM 0 HA PRO A 26 4.325 4.279 5.226 1.00 10.00 H new ATOM 0 HB2 PRO A 26 3.871 6.511 6.714 1.00 10.00 H new ATOM 0 HB3 PRO A 26 3.585 6.630 4.989 1.00 10.00 H new ATOM 0 HG2 PRO A 26 1.566 6.030 7.180 1.00 10.00 H new ATOM 0 HG3 PRO A 26 1.493 7.293 5.967 1.00 10.00 H new ATOM 0 HD2 PRO A 26 0.210 4.964 5.547 1.00 10.00 H new ATOM 0 HD3 PRO A 26 1.012 5.767 4.211 1.00 10.00 H new ATOM 417 N LEU A 27 3.564 2.654 7.110 1.00 10.00 N ATOM 418 CA LEU A 27 3.566 1.773 8.253 1.00 10.00 C ATOM 419 C LEU A 27 4.521 2.131 9.356 1.00 10.00 C ATOM 420 O LEU A 27 4.258 2.023 10.555 1.00 10.00 O ATOM 421 CB LEU A 27 3.817 0.342 7.785 1.00 10.00 C ATOM 422 CG LEU A 27 2.568 -0.376 7.300 1.00 10.00 C ATOM 423 CD1 LEU A 27 2.900 -1.793 6.857 1.00 10.00 C ATOM 424 CD2 LEU A 27 1.532 -0.373 8.409 1.00 10.00 C ATOM 0 H LEU A 27 3.634 2.148 6.227 1.00 10.00 H new ATOM 0 HA LEU A 27 2.579 1.883 8.703 1.00 10.00 H new ATOM 0 HB2 LEU A 27 4.551 0.357 6.980 1.00 10.00 H new ATOM 0 HB3 LEU A 27 4.255 -0.226 8.605 1.00 10.00 H new ATOM 0 HG LEU A 27 2.160 0.146 6.434 1.00 10.00 H new ATOM 0 HD11 LEU A 27 1.992 -2.289 6.514 1.00 10.00 H new ATOM 0 HD12 LEU A 27 3.625 -1.760 6.044 1.00 10.00 H new ATOM 0 HD13 LEU A 27 3.321 -2.347 7.696 1.00 10.00 H new ATOM 0 HD21 LEU A 27 0.633 -0.886 8.068 1.00 10.00 H new ATOM 0 HD22 LEU A 27 1.933 -0.886 9.283 1.00 10.00 H new ATOM 0 HD23 LEU A 27 1.285 0.655 8.673 1.00 10.00 H new ATOM 436 N THR A 28 5.656 2.567 8.852 1.00 10.00 N ATOM 437 CA THR A 28 6.820 2.905 9.626 1.00 10.00 C ATOM 438 C THR A 28 6.837 4.370 10.069 1.00 10.00 C ATOM 439 O THR A 28 7.765 4.843 10.726 1.00 10.00 O ATOM 440 CB THR A 28 8.054 2.619 8.750 1.00 10.00 C ATOM 441 OG1 THR A 28 8.208 3.664 7.776 1.00 10.00 O ATOM 442 CG2 THR A 28 7.896 1.282 8.028 1.00 10.00 C ATOM 0 H THR A 28 5.793 2.699 7.850 1.00 10.00 H new ATOM 0 HA THR A 28 6.817 2.307 10.537 1.00 10.00 H new ATOM 0 HB THR A 28 8.934 2.577 9.392 1.00 10.00 H new ATOM 0 HG1 THR A 28 8.995 3.481 7.221 1.00 10.00 H new ATOM 0 HG21 THR A 28 8.776 1.094 7.413 1.00 10.00 H new ATOM 0 HG22 THR A 28 7.789 0.483 8.761 1.00 10.00 H new ATOM 0 HG23 THR A 28 7.010 1.314 7.394 1.00 10.00 H new ATOM 450 N ARG A 29 5.760 5.063 9.713 1.00 10.00 N ATOM 451 CA ARG A 29 5.518 6.427 10.130 1.00 10.00 C ATOM 452 C ARG A 29 4.084 6.449 10.638 1.00 10.00 C ATOM 453 O ARG A 29 3.260 7.217 10.153 1.00 10.00 O ATOM 454 CB ARG A 29 5.702 7.375 8.939 1.00 10.00 C ATOM 455 CG ARG A 29 6.543 8.608 9.240 1.00 10.00 C ATOM 456 CD ARG A 29 5.815 9.586 10.144 1.00 10.00 C ATOM 457 NE ARG A 29 6.385 9.625 11.488 1.00 10.00 N ATOM 458 CZ ARG A 29 7.150 10.611 11.960 1.00 10.00 C ATOM 459 NH1 ARG A 29 7.492 11.632 11.188 1.00 10.00 N ATOM 460 NH2 ARG A 29 7.588 10.563 13.210 1.00 10.00 N ATOM 0 H ARG A 29 5.024 4.681 9.118 1.00 10.00 H new ATOM 0 HA ARG A 29 6.212 6.755 10.904 1.00 10.00 H new ATOM 0 HB2 ARG A 29 6.166 6.825 8.121 1.00 10.00 H new ATOM 0 HB3 ARG A 29 4.720 7.696 8.591 1.00 10.00 H new ATOM 0 HG2 ARG A 29 7.477 8.303 9.713 1.00 10.00 H new ATOM 0 HG3 ARG A 29 6.806 9.104 8.306 1.00 10.00 H new ATOM 0 HD2 ARG A 29 5.856 10.583 9.705 1.00 10.00 H new ATOM 0 HD3 ARG A 29 4.763 9.307 10.205 1.00 10.00 H new ATOM 0 HE ARG A 29 6.184 8.842 12.110 1.00 10.00 H new ATOM 0 HH11 ARG A 29 7.170 11.670 10.221 1.00 10.00 H new ATOM 0 HH12 ARG A 29 8.077 12.380 11.561 1.00 10.00 H new ATOM 0 HH21 ARG A 29 7.340 9.774 13.807 1.00 10.00 H new ATOM 0 HH22 ARG A 29 8.173 11.315 13.575 1.00 10.00 H new ATOM 474 N PRO A 30 3.797 5.612 11.658 1.00 10.00 N ATOM 475 CA PRO A 30 2.449 5.411 12.195 1.00 10.00 C ATOM 476 C PRO A 30 1.664 6.680 12.504 1.00 10.00 C ATOM 477 O PRO A 30 0.518 6.789 12.104 1.00 10.00 O ATOM 478 CB PRO A 30 2.657 4.622 13.479 1.00 10.00 C ATOM 479 CG PRO A 30 4.123 4.649 13.748 1.00 10.00 C ATOM 480 CD PRO A 30 4.781 4.814 12.417 1.00 10.00 C ATOM 0 HA PRO A 30 1.846 4.909 11.438 1.00 10.00 H new ATOM 0 HB2 PRO A 30 2.101 5.067 14.304 1.00 10.00 H new ATOM 0 HB3 PRO A 30 2.300 3.598 13.369 1.00 10.00 H new ATOM 0 HG2 PRO A 30 4.382 5.470 14.416 1.00 10.00 H new ATOM 0 HG3 PRO A 30 4.448 3.729 14.233 1.00 10.00 H new ATOM 0 HD2 PRO A 30 5.739 5.328 12.501 1.00 10.00 H new ATOM 0 HD3 PRO A 30 4.975 3.853 11.941 1.00 10.00 H new ATOM 488 N SER A 31 2.248 7.615 13.239 1.00 10.00 N ATOM 489 CA SER A 31 1.551 8.854 13.568 1.00 10.00 C ATOM 490 C SER A 31 1.007 9.483 12.294 1.00 10.00 C ATOM 491 O SER A 31 -0.185 9.786 12.191 1.00 10.00 O ATOM 492 CB SER A 31 2.517 9.798 14.284 1.00 10.00 C ATOM 493 OG SER A 31 3.808 9.213 14.387 1.00 10.00 O ATOM 0 H SER A 31 3.193 7.543 13.617 1.00 10.00 H new ATOM 0 HA SER A 31 0.711 8.651 14.232 1.00 10.00 H new ATOM 0 HB2 SER A 31 2.582 10.741 13.741 1.00 10.00 H new ATOM 0 HB3 SER A 31 2.137 10.029 15.279 1.00 10.00 H new ATOM 0 HG SER A 31 4.227 9.186 13.501 1.00 10.00 H new ATOM 499 N LEU A 32 1.868 9.557 11.291 1.00 10.00 N ATOM 500 CA LEU A 32 1.511 10.127 10.011 1.00 10.00 C ATOM 501 C LEU A 32 0.533 9.187 9.323 1.00 10.00 C ATOM 502 O LEU A 32 -0.423 9.610 8.684 1.00 10.00 O ATOM 503 CB LEU A 32 2.801 10.363 9.209 1.00 10.00 C ATOM 504 CG LEU A 32 2.686 11.020 7.848 1.00 10.00 C ATOM 505 CD1 LEU A 32 2.642 9.954 6.784 1.00 10.00 C ATOM 506 CD2 LEU A 32 1.475 11.920 7.774 1.00 10.00 C ATOM 0 H LEU A 32 2.830 9.223 11.346 1.00 10.00 H new ATOM 0 HA LEU A 32 1.013 11.092 10.111 1.00 10.00 H new ATOM 0 HB2 LEU A 32 3.466 10.975 9.819 1.00 10.00 H new ATOM 0 HB3 LEU A 32 3.290 9.398 9.073 1.00 10.00 H new ATOM 0 HG LEU A 32 3.559 11.651 7.683 1.00 10.00 H new ATOM 0 HD11 LEU A 32 2.559 10.422 5.803 1.00 10.00 H new ATOM 0 HD12 LEU A 32 3.555 9.360 6.827 1.00 10.00 H new ATOM 0 HD13 LEU A 32 1.780 9.308 6.952 1.00 10.00 H new ATOM 0 HD21 LEU A 32 1.421 12.376 6.786 1.00 10.00 H new ATOM 0 HD22 LEU A 32 0.574 11.333 7.953 1.00 10.00 H new ATOM 0 HD23 LEU A 32 1.555 12.701 8.530 1.00 10.00 H new ATOM 518 N CYS A 33 0.730 7.900 9.559 1.00 10.00 N ATOM 519 CA CYS A 33 -0.105 6.881 8.983 1.00 10.00 C ATOM 520 C CYS A 33 -1.504 7.085 9.504 1.00 10.00 C ATOM 521 O CYS A 33 -2.479 6.932 8.782 1.00 10.00 O ATOM 522 CB CYS A 33 0.398 5.531 9.463 1.00 10.00 C ATOM 523 SG CYS A 33 -0.170 4.108 8.518 1.00 10.00 S ATOM 0 H CYS A 33 1.475 7.542 10.156 1.00 10.00 H new ATOM 0 HA CYS A 33 -0.088 6.927 7.894 1.00 10.00 H new ATOM 0 HB2 CYS A 33 1.488 5.543 9.448 1.00 10.00 H new ATOM 0 HB3 CYS A 33 0.095 5.399 10.502 1.00 10.00 H new ATOM 0 HG CYS A 33 -0.853 4.515 7.490 1.00 10.00 H new ATOM 529 N LYS A 34 -1.594 7.477 10.755 1.00 10.00 N ATOM 530 CA LYS A 34 -2.849 7.640 11.419 1.00 10.00 C ATOM 531 C LYS A 34 -3.664 8.807 10.906 1.00 10.00 C ATOM 532 O LYS A 34 -4.885 8.796 11.035 1.00 10.00 O ATOM 533 CB LYS A 34 -2.544 7.761 12.909 1.00 10.00 C ATOM 534 CG LYS A 34 -3.502 8.632 13.698 1.00 10.00 C ATOM 535 CD LYS A 34 -2.734 9.644 14.524 1.00 10.00 C ATOM 536 CE LYS A 34 -3.486 10.020 15.789 1.00 10.00 C ATOM 537 NZ LYS A 34 -3.831 8.825 16.602 1.00 10.00 N ATOM 0 H LYS A 34 -0.785 7.691 11.338 1.00 10.00 H new ATOM 0 HA LYS A 34 -3.482 6.776 11.216 1.00 10.00 H new ATOM 0 HB2 LYS A 34 -2.544 6.762 13.345 1.00 10.00 H new ATOM 0 HB3 LYS A 34 -1.536 8.160 13.026 1.00 10.00 H new ATOM 0 HG2 LYS A 34 -4.180 9.147 13.018 1.00 10.00 H new ATOM 0 HG3 LYS A 34 -4.116 8.011 14.350 1.00 10.00 H new ATOM 0 HD2 LYS A 34 -1.759 9.234 14.788 1.00 10.00 H new ATOM 0 HD3 LYS A 34 -2.553 10.539 13.928 1.00 10.00 H new ATOM 0 HE2 LYS A 34 -2.878 10.701 16.384 1.00 10.00 H new ATOM 0 HE3 LYS A 34 -4.398 10.555 15.524 1.00 10.00 H new ATOM 0 HZ1 LYS A 34 -3.600 9.005 17.600 1.00 10.00 H new ATOM 0 HZ2 LYS A 34 -4.848 8.626 16.513 1.00 10.00 H new ATOM 0 HZ3 LYS A 34 -3.287 8.006 16.263 1.00 10.00 H new ATOM 551 N GLU A 35 -3.049 9.812 10.309 1.00 10.00 N ATOM 552 CA GLU A 35 -3.893 10.891 9.825 1.00 10.00 C ATOM 553 C GLU A 35 -4.577 10.439 8.580 1.00 10.00 C ATOM 554 O GLU A 35 -5.629 10.966 8.218 1.00 10.00 O ATOM 555 CB GLU A 35 -3.198 12.199 9.554 1.00 10.00 C ATOM 556 CG GLU A 35 -1.705 12.100 9.383 1.00 10.00 C ATOM 557 CD GLU A 35 -0.985 13.361 9.837 1.00 10.00 C ATOM 558 OE1 GLU A 35 -0.919 14.329 9.054 1.00 10.00 O ATOM 559 OE2 GLU A 35 -0.492 13.391 10.988 1.00 10.00 O ATOM 0 H GLU A 35 -2.045 9.906 10.154 1.00 10.00 H new ATOM 0 HA GLU A 35 -4.588 11.102 10.637 1.00 10.00 H new ATOM 0 HB2 GLU A 35 -3.624 12.640 8.653 1.00 10.00 H new ATOM 0 HB3 GLU A 35 -3.410 12.884 10.375 1.00 10.00 H new ATOM 0 HG2 GLU A 35 -1.333 11.248 9.951 1.00 10.00 H new ATOM 0 HG3 GLU A 35 -1.474 11.910 8.335 1.00 10.00 H new ATOM 566 N TRP A 36 -3.984 9.444 7.924 1.00 10.00 N ATOM 567 CA TRP A 36 -4.586 8.904 6.737 1.00 10.00 C ATOM 568 C TRP A 36 -5.946 8.414 7.169 1.00 10.00 C ATOM 569 O TRP A 36 -6.883 8.451 6.384 1.00 10.00 O ATOM 570 CB TRP A 36 -3.771 7.757 6.128 1.00 10.00 C ATOM 571 CG TRP A 36 -2.430 8.156 5.577 1.00 10.00 C ATOM 572 CD1 TRP A 36 -1.586 9.114 6.069 1.00 10.00 C ATOM 573 CD2 TRP A 36 -1.774 7.596 4.426 1.00 10.00 C ATOM 574 NE1 TRP A 36 -0.459 9.200 5.280 1.00 10.00 N ATOM 575 CE2 TRP A 36 -0.548 8.277 4.276 1.00 10.00 C ATOM 576 CE3 TRP A 36 -2.100 6.592 3.496 1.00 10.00 C ATOM 577 CZ2 TRP A 36 0.341 7.994 3.250 1.00 10.00 C ATOM 578 CZ3 TRP A 36 -1.209 6.315 2.475 1.00 10.00 C ATOM 579 CH2 TRP A 36 -0.002 7.014 2.360 1.00 10.00 C ATOM 0 H TRP A 36 -3.103 9.010 8.199 1.00 10.00 H new ATOM 0 HA TRP A 36 -4.640 9.664 5.957 1.00 10.00 H new ATOM 0 HB2 TRP A 36 -3.621 6.992 6.890 1.00 10.00 H new ATOM 0 HB3 TRP A 36 -4.355 7.300 5.329 1.00 10.00 H new ATOM 0 HD1 TRP A 36 -1.775 9.715 6.947 1.00 10.00 H new ATOM 0 HE1 TRP A 36 0.316 9.848 5.422 1.00 10.00 H new ATOM 0 HE3 TRP A 36 -3.029 6.047 3.578 1.00 10.00 H new ATOM 0 HZ2 TRP A 36 1.274 8.530 3.157 1.00 10.00 H new ATOM 0 HZ3 TRP A 36 -1.449 5.547 1.755 1.00 10.00 H new ATOM 0 HH2 TRP A 36 0.673 6.774 1.551 1.00 10.00 H new ATOM 590 N GLU A 37 -6.076 8.056 8.455 1.00 10.00 N ATOM 591 CA GLU A 37 -7.332 7.568 8.963 1.00 10.00 C ATOM 592 C GLU A 37 -8.435 8.582 8.679 1.00 10.00 C ATOM 593 O GLU A 37 -9.510 8.295 8.155 1.00 10.00 O ATOM 594 CB GLU A 37 -7.264 7.236 10.462 1.00 10.00 C ATOM 595 CG GLU A 37 -6.263 6.146 10.814 1.00 10.00 C ATOM 596 CD GLU A 37 -6.815 4.744 10.657 1.00 10.00 C ATOM 597 OE1 GLU A 37 -7.947 4.496 11.121 1.00 10.00 O ATOM 598 OE2 GLU A 37 -6.105 3.879 10.101 1.00 10.00 O ATOM 0 H GLU A 37 -5.325 8.101 9.143 1.00 10.00 H new ATOM 0 HA GLU A 37 -7.561 6.636 8.447 1.00 10.00 H new ATOM 0 HB2 GLU A 37 -7.007 8.141 11.012 1.00 10.00 H new ATOM 0 HB3 GLU A 37 -8.254 6.928 10.800 1.00 10.00 H new ATOM 0 HG2 GLU A 37 -5.383 6.254 10.181 1.00 10.00 H new ATOM 0 HG3 GLU A 37 -5.934 6.285 11.844 1.00 10.00 H new ATOM 605 N ALA A 38 -8.046 9.824 9.061 1.00 10.00 N ATOM 606 CA ALA A 38 -8.848 11.036 8.943 1.00 10.00 C ATOM 607 C ALA A 38 -9.317 11.293 7.527 1.00 10.00 C ATOM 608 O ALA A 38 -10.395 11.846 7.316 1.00 10.00 O ATOM 609 CB ALA A 38 -8.039 12.222 9.444 1.00 10.00 C ATOM 0 H ALA A 38 -7.130 10.000 9.473 1.00 10.00 H new ATOM 0 HA ALA A 38 -9.742 10.899 9.551 1.00 10.00 H new ATOM 0 HB1 ALA A 38 -8.634 13.131 9.358 1.00 10.00 H new ATOM 0 HB2 ALA A 38 -7.768 12.063 10.488 1.00 10.00 H new ATOM 0 HB3 ALA A 38 -7.133 12.323 8.846 1.00 10.00 H new ATOM 615 N ALA A 39 -8.522 10.908 6.559 1.00 10.00 N ATOM 616 CA ALA A 39 -8.897 11.119 5.173 1.00 10.00 C ATOM 617 C ALA A 39 -9.720 9.953 4.655 1.00 10.00 C ATOM 618 O ALA A 39 -10.435 10.076 3.657 1.00 10.00 O ATOM 619 CB ALA A 39 -7.651 11.307 4.313 1.00 10.00 C ATOM 0 H ALA A 39 -7.620 10.452 6.697 1.00 10.00 H new ATOM 0 HA ALA A 39 -9.506 12.021 5.116 1.00 10.00 H new ATOM 0 HB1 ALA A 39 -7.945 11.464 3.275 1.00 10.00 H new ATOM 0 HB2 ALA A 39 -7.092 12.173 4.667 1.00 10.00 H new ATOM 0 HB3 ALA A 39 -7.024 10.418 4.381 1.00 10.00 H new ATOM 625 N VAL A 40 -9.660 8.839 5.374 1.00 10.00 N ATOM 626 CA VAL A 40 -10.481 7.674 5.066 1.00 10.00 C ATOM 627 C VAL A 40 -11.782 7.789 5.885 1.00 10.00 C ATOM 628 O VAL A 40 -12.340 6.808 6.372 1.00 10.00 O ATOM 629 CB VAL A 40 -9.765 6.353 5.413 1.00 10.00 C ATOM 630 CG1 VAL A 40 -10.532 5.162 4.858 1.00 10.00 C ATOM 631 CG2 VAL A 40 -8.333 6.361 4.900 1.00 10.00 C ATOM 0 H VAL A 40 -9.047 8.717 6.180 1.00 10.00 H new ATOM 0 HA VAL A 40 -10.684 7.655 3.995 1.00 10.00 H new ATOM 0 HB VAL A 40 -9.733 6.260 6.499 1.00 10.00 H new ATOM 0 HG11 VAL A 40 -10.009 4.241 5.115 1.00 10.00 H new ATOM 0 HG12 VAL A 40 -11.534 5.142 5.287 1.00 10.00 H new ATOM 0 HG13 VAL A 40 -10.604 5.249 3.774 1.00 10.00 H new ATOM 0 HG21 VAL A 40 -7.849 5.419 5.157 1.00 10.00 H new ATOM 0 HG22 VAL A 40 -8.335 6.484 3.817 1.00 10.00 H new ATOM 0 HG23 VAL A 40 -7.787 7.186 5.358 1.00 10.00 H new ATOM 641 N ARG A 41 -12.220 9.036 6.045 1.00 10.00 N ATOM 642 CA ARG A 41 -13.403 9.419 6.839 1.00 10.00 C ATOM 643 C ARG A 41 -14.730 8.770 6.399 1.00 10.00 C ATOM 644 O ARG A 41 -15.804 9.180 6.848 1.00 10.00 O ATOM 645 CB ARG A 41 -13.549 10.949 6.835 1.00 10.00 C ATOM 646 CG ARG A 41 -14.356 11.515 5.667 1.00 10.00 C ATOM 647 CD ARG A 41 -13.607 11.433 4.343 1.00 10.00 C ATOM 648 NE ARG A 41 -14.463 11.793 3.216 1.00 10.00 N ATOM 649 CZ ARG A 41 -14.032 12.374 2.098 1.00 10.00 C ATOM 650 NH1 ARG A 41 -12.736 12.646 1.934 1.00 10.00 N ATOM 651 NH2 ARG A 41 -14.902 12.670 1.142 1.00 10.00 N ATOM 0 H ARG A 41 -11.754 9.836 5.617 1.00 10.00 H new ATOM 0 HA ARG A 41 -13.216 9.037 7.842 1.00 10.00 H new ATOM 0 HB2 ARG A 41 -14.022 11.257 7.768 1.00 10.00 H new ATOM 0 HB3 ARG A 41 -12.554 11.394 6.820 1.00 10.00 H new ATOM 0 HG2 ARG A 41 -15.296 10.971 5.582 1.00 10.00 H new ATOM 0 HG3 ARG A 41 -14.607 12.555 5.874 1.00 10.00 H new ATOM 0 HD2 ARG A 41 -12.744 12.098 4.371 1.00 10.00 H new ATOM 0 HD3 ARG A 41 -13.226 10.422 4.202 1.00 10.00 H new ATOM 0 HE ARG A 41 -15.459 11.585 3.290 1.00 10.00 H new ATOM 0 HH11 ARG A 41 -12.068 12.409 2.668 1.00 10.00 H new ATOM 0 HH12 ARG A 41 -12.413 13.091 1.075 1.00 10.00 H new ATOM 0 HH21 ARG A 41 -15.891 12.453 1.267 1.00 10.00 H new ATOM 0 HH22 ARG A 41 -14.583 13.115 0.282 1.00 10.00 H new ATOM 665 N ARG A 42 -14.669 7.764 5.551 1.00 10.00 N ATOM 666 CA ARG A 42 -15.869 7.091 5.081 1.00 10.00 C ATOM 667 C ARG A 42 -16.352 6.091 6.139 1.00 10.00 C ATOM 668 O ARG A 42 -15.537 5.512 6.854 1.00 10.00 O ATOM 669 CB ARG A 42 -15.570 6.378 3.760 1.00 10.00 C ATOM 670 CG ARG A 42 -16.803 5.911 3.012 1.00 10.00 C ATOM 671 CD ARG A 42 -17.766 7.056 2.738 1.00 10.00 C ATOM 672 NE ARG A 42 -19.056 6.858 3.402 1.00 10.00 N ATOM 673 CZ ARG A 42 -19.610 7.726 4.258 1.00 10.00 C ATOM 674 NH1 ARG A 42 -19.005 8.870 4.538 1.00 10.00 N ATOM 675 NH2 ARG A 42 -20.777 7.450 4.829 1.00 10.00 N ATOM 0 H ARG A 42 -13.799 7.391 5.170 1.00 10.00 H new ATOM 0 HA ARG A 42 -16.659 7.824 4.913 1.00 10.00 H new ATOM 0 HB2 ARG A 42 -15.002 7.051 3.117 1.00 10.00 H new ATOM 0 HB3 ARG A 42 -14.933 5.517 3.961 1.00 10.00 H new ATOM 0 HG2 ARG A 42 -16.504 5.454 2.069 1.00 10.00 H new ATOM 0 HG3 ARG A 42 -17.310 5.141 3.593 1.00 10.00 H new ATOM 0 HD2 ARG A 42 -17.323 7.992 3.078 1.00 10.00 H new ATOM 0 HD3 ARG A 42 -17.922 7.149 1.663 1.00 10.00 H new ATOM 0 HE ARG A 42 -19.568 6.000 3.198 1.00 10.00 H new ATOM 0 HH11 ARG A 42 -18.111 9.095 4.101 1.00 10.00 H new ATOM 0 HH12 ARG A 42 -19.433 9.527 5.191 1.00 10.00 H new ATOM 0 HH21 ARG A 42 -21.255 6.574 4.616 1.00 10.00 H new ATOM 0 HH22 ARG A 42 -21.196 8.114 5.481 1.00 10.00 H new ATOM 689 N LYS A 43 -17.673 5.914 6.255 1.00 10.00 N ATOM 690 CA LYS A 43 -18.243 4.970 7.217 1.00 10.00 C ATOM 691 C LYS A 43 -17.624 3.601 7.021 1.00 10.00 C ATOM 692 O LYS A 43 -17.082 2.999 7.951 1.00 10.00 O ATOM 693 CB LYS A 43 -19.765 4.867 7.048 1.00 10.00 C ATOM 694 CG LYS A 43 -20.320 3.485 7.391 1.00 10.00 C ATOM 695 CD LYS A 43 -21.831 3.415 7.258 1.00 10.00 C ATOM 696 CE LYS A 43 -22.354 2.036 7.636 1.00 10.00 C ATOM 697 NZ LYS A 43 -23.835 2.008 7.705 1.00 10.00 N ATOM 0 H LYS A 43 -18.365 6.412 5.695 1.00 10.00 H new ATOM 0 HA LYS A 43 -18.026 5.334 8.221 1.00 10.00 H new ATOM 0 HB2 LYS A 43 -20.245 5.611 7.683 1.00 10.00 H new ATOM 0 HB3 LYS A 43 -20.026 5.110 6.018 1.00 10.00 H new ATOM 0 HG2 LYS A 43 -19.866 2.742 6.735 1.00 10.00 H new ATOM 0 HG3 LYS A 43 -20.036 3.226 8.411 1.00 10.00 H new ATOM 0 HD2 LYS A 43 -22.290 4.169 7.898 1.00 10.00 H new ATOM 0 HD3 LYS A 43 -22.120 3.648 6.233 1.00 10.00 H new ATOM 0 HE2 LYS A 43 -22.010 1.304 6.905 1.00 10.00 H new ATOM 0 HE3 LYS A 43 -21.940 1.742 8.600 1.00 10.00 H new ATOM 0 HZ1 LYS A 43 -24.152 1.052 7.965 1.00 10.00 H new ATOM 0 HZ2 LYS A 43 -24.162 2.688 8.421 1.00 10.00 H new ATOM 0 HZ3 LYS A 43 -24.231 2.264 6.778 1.00 10.00 H new ATOM 711 N ASN A 44 -17.702 3.118 5.798 1.00 10.00 N ATOM 712 CA ASN A 44 -17.141 1.838 5.467 1.00 10.00 C ATOM 713 C ASN A 44 -15.658 2.005 5.197 1.00 10.00 C ATOM 714 O ASN A 44 -15.214 1.899 4.054 1.00 10.00 O ATOM 715 CB ASN A 44 -17.836 1.188 4.256 1.00 10.00 C ATOM 716 CG ASN A 44 -18.662 2.154 3.411 1.00 10.00 C ATOM 717 OD1 ASN A 44 -18.366 3.344 3.315 1.00 10.00 O ATOM 718 ND2 ASN A 44 -19.707 1.642 2.779 1.00 10.00 N ATOM 0 H ASN A 44 -18.151 3.600 5.019 1.00 10.00 H new ATOM 0 HA ASN A 44 -17.298 1.170 6.314 1.00 10.00 H new ATOM 0 HB2 ASN A 44 -17.079 0.726 3.622 1.00 10.00 H new ATOM 0 HB3 ASN A 44 -18.486 0.388 4.611 1.00 10.00 H new ATOM 0 HD21 ASN A 44 -20.291 2.239 2.193 1.00 10.00 H new ATOM 0 HD22 ASN A 44 -19.928 0.651 2.878 1.00 10.00 H new ATOM 725 N PHE A 45 -14.923 2.361 6.250 1.00 10.00 N ATOM 726 CA PHE A 45 -13.483 2.527 6.165 1.00 10.00 C ATOM 727 C PHE A 45 -12.886 1.285 5.504 1.00 10.00 C ATOM 728 O PHE A 45 -13.078 0.165 5.984 1.00 10.00 O ATOM 729 CB PHE A 45 -12.901 2.758 7.579 1.00 10.00 C ATOM 730 CG PHE A 45 -11.416 3.068 7.655 1.00 10.00 C ATOM 731 CD1 PHE A 45 -10.485 2.218 7.091 1.00 10.00 C ATOM 732 CD2 PHE A 45 -10.949 4.200 8.315 1.00 10.00 C ATOM 733 CE1 PHE A 45 -9.134 2.476 7.168 1.00 10.00 C ATOM 734 CE2 PHE A 45 -9.594 4.467 8.395 1.00 10.00 C ATOM 735 CZ PHE A 45 -8.686 3.602 7.819 1.00 10.00 C ATOM 0 H PHE A 45 -15.310 2.540 7.176 1.00 10.00 H new ATOM 0 HA PHE A 45 -13.231 3.398 5.560 1.00 10.00 H new ATOM 0 HB2 PHE A 45 -13.446 3.580 8.043 1.00 10.00 H new ATOM 0 HB3 PHE A 45 -13.096 1.869 8.178 1.00 10.00 H new ATOM 0 HD1 PHE A 45 -10.824 1.330 6.578 1.00 10.00 H new ATOM 0 HD2 PHE A 45 -11.654 4.880 8.771 1.00 10.00 H new ATOM 0 HE1 PHE A 45 -8.427 1.795 6.718 1.00 10.00 H new ATOM 0 HE2 PHE A 45 -9.247 5.352 8.908 1.00 10.00 H new ATOM 0 HZ PHE A 45 -7.628 3.808 7.879 1.00 10.00 H new ATOM 745 N LYS A 46 -12.208 1.517 4.386 1.00 10.00 N ATOM 746 CA LYS A 46 -11.544 0.483 3.590 1.00 10.00 C ATOM 747 C LYS A 46 -10.503 -0.272 4.418 1.00 10.00 C ATOM 748 O LYS A 46 -10.465 -0.107 5.626 1.00 10.00 O ATOM 749 CB LYS A 46 -10.917 1.166 2.378 1.00 10.00 C ATOM 750 CG LYS A 46 -11.508 0.698 1.067 1.00 10.00 C ATOM 751 CD LYS A 46 -12.153 1.832 0.299 1.00 10.00 C ATOM 752 CE LYS A 46 -13.177 1.288 -0.677 1.00 10.00 C ATOM 753 NZ LYS A 46 -12.635 0.147 -1.469 1.00 10.00 N ATOM 0 H LYS A 46 -12.100 2.453 3.995 1.00 10.00 H new ATOM 0 HA LYS A 46 -12.266 -0.264 3.261 1.00 10.00 H new ATOM 0 HB2 LYS A 46 -11.050 2.244 2.466 1.00 10.00 H new ATOM 0 HB3 LYS A 46 -9.844 0.976 2.375 1.00 10.00 H new ATOM 0 HG2 LYS A 46 -10.726 0.246 0.457 1.00 10.00 H new ATOM 0 HG3 LYS A 46 -12.250 -0.077 1.260 1.00 10.00 H new ATOM 0 HD2 LYS A 46 -12.632 2.524 0.992 1.00 10.00 H new ATOM 0 HD3 LYS A 46 -11.391 2.396 -0.239 1.00 10.00 H new ATOM 0 HE2 LYS A 46 -14.063 0.963 -0.131 1.00 10.00 H new ATOM 0 HE3 LYS A 46 -13.493 2.082 -1.353 1.00 10.00 H new ATOM 0 HZ1 LYS A 46 -13.234 -0.011 -2.304 1.00 10.00 H new ATOM 0 HZ2 LYS A 46 -11.665 0.366 -1.775 1.00 10.00 H new ATOM 0 HZ3 LYS A 46 -12.627 -0.711 -0.881 1.00 10.00 H new ATOM 767 N PRO A 47 -9.686 -1.165 3.809 1.00 10.00 N ATOM 768 CA PRO A 47 -8.658 -1.902 4.545 1.00 10.00 C ATOM 769 C PRO A 47 -7.866 -1.002 5.501 1.00 10.00 C ATOM 770 O PRO A 47 -7.943 0.224 5.474 1.00 10.00 O ATOM 771 CB PRO A 47 -7.818 -2.512 3.441 1.00 10.00 C ATOM 772 CG PRO A 47 -8.785 -2.729 2.336 1.00 10.00 C ATOM 773 CD PRO A 47 -9.707 -1.551 2.389 1.00 10.00 C ATOM 0 HA PRO A 47 -9.064 -2.660 5.215 1.00 10.00 H new ATOM 0 HB2 PRO A 47 -7.010 -1.846 3.140 1.00 10.00 H new ATOM 0 HB3 PRO A 47 -7.358 -3.448 3.759 1.00 10.00 H new ATOM 0 HG2 PRO A 47 -8.277 -2.789 1.374 1.00 10.00 H new ATOM 0 HG3 PRO A 47 -9.331 -3.663 2.467 1.00 10.00 H new ATOM 0 HD2 PRO A 47 -9.361 -0.741 1.747 1.00 10.00 H new ATOM 0 HD3 PRO A 47 -10.712 -1.812 2.058 1.00 10.00 H new ATOM 781 N THR A 48 -6.990 -1.652 6.243 1.00 10.00 N ATOM 782 CA THR A 48 -6.038 -0.974 7.094 1.00 10.00 C ATOM 783 C THR A 48 -4.910 -0.628 6.158 1.00 10.00 C ATOM 784 O THR A 48 -5.053 -0.523 4.944 1.00 10.00 O ATOM 785 CB THR A 48 -5.585 -1.885 8.223 1.00 10.00 C ATOM 786 OG1 THR A 48 -4.798 -2.987 7.722 1.00 10.00 O ATOM 787 CG2 THR A 48 -6.809 -2.422 8.890 1.00 10.00 C ATOM 0 H THR A 48 -6.920 -2.669 6.271 1.00 10.00 H new ATOM 0 HA THR A 48 -6.447 -0.091 7.586 1.00 10.00 H new ATOM 0 HB THR A 48 -4.966 -1.319 8.919 1.00 10.00 H new ATOM 0 HG1 THR A 48 -4.787 -3.709 8.384 1.00 10.00 H new ATOM 0 HG21 THR A 48 -6.518 -3.082 9.708 1.00 10.00 H new ATOM 0 HG22 THR A 48 -7.401 -1.596 9.284 1.00 10.00 H new ATOM 0 HG23 THR A 48 -7.402 -2.981 8.166 1.00 10.00 H new ATOM 795 N LYS A 49 -3.755 -0.526 6.781 1.00 10.00 N ATOM 796 CA LYS A 49 -2.540 -0.085 6.142 1.00 10.00 C ATOM 797 C LYS A 49 -1.719 -1.225 5.529 1.00 10.00 C ATOM 798 O LYS A 49 -0.673 -0.974 4.933 1.00 10.00 O ATOM 799 CB LYS A 49 -1.689 0.626 7.203 1.00 10.00 C ATOM 800 CG LYS A 49 -1.831 0.085 8.623 1.00 10.00 C ATOM 801 CD LYS A 49 -2.239 1.189 9.591 1.00 10.00 C ATOM 802 CE LYS A 49 -3.749 1.367 9.634 1.00 10.00 C ATOM 803 NZ LYS A 49 -4.186 2.214 10.779 1.00 10.00 N ATOM 0 H LYS A 49 -3.635 -0.753 7.768 1.00 10.00 H new ATOM 0 HA LYS A 49 -2.818 0.573 5.318 1.00 10.00 H new ATOM 0 HB2 LYS A 49 -0.641 0.559 6.909 1.00 10.00 H new ATOM 0 HB3 LYS A 49 -1.952 1.684 7.207 1.00 10.00 H new ATOM 0 HG2 LYS A 49 -2.575 -0.711 8.640 1.00 10.00 H new ATOM 0 HG3 LYS A 49 -0.887 -0.354 8.944 1.00 10.00 H new ATOM 0 HD2 LYS A 49 -1.872 0.952 10.589 1.00 10.00 H new ATOM 0 HD3 LYS A 49 -1.770 2.127 9.293 1.00 10.00 H new ATOM 0 HE2 LYS A 49 -4.086 1.819 8.701 1.00 10.00 H new ATOM 0 HE3 LYS A 49 -4.226 0.389 9.705 1.00 10.00 H new ATOM 0 HZ1 LYS A 49 -5.117 2.628 10.569 1.00 10.00 H new ATOM 0 HZ2 LYS A 49 -4.252 1.630 11.637 1.00 10.00 H new ATOM 0 HZ3 LYS A 49 -3.495 2.976 10.931 1.00 10.00 H new ATOM 817 N TYR A 50 -2.155 -2.475 5.670 1.00 10.00 N ATOM 818 CA TYR A 50 -1.455 -3.546 4.990 1.00 10.00 C ATOM 819 C TYR A 50 -1.917 -3.472 3.548 1.00 10.00 C ATOM 820 O TYR A 50 -1.142 -3.841 2.668 1.00 10.00 O ATOM 821 CB TYR A 50 -1.814 -4.892 5.596 1.00 10.00 C ATOM 822 CG TYR A 50 -1.287 -5.136 6.997 1.00 10.00 C ATOM 823 CD1 TYR A 50 0.030 -5.514 7.206 1.00 10.00 C ATOM 824 CD2 TYR A 50 -2.134 -5.074 8.098 1.00 10.00 C ATOM 825 CE1 TYR A 50 0.487 -5.841 8.458 1.00 10.00 C ATOM 826 CE2 TYR A 50 -1.673 -5.375 9.361 1.00 10.00 C ATOM 827 CZ TYR A 50 -0.362 -5.769 9.529 1.00 10.00 C ATOM 828 OH TYR A 50 0.087 -6.159 10.761 1.00 10.00 O ATOM 0 H TYR A 50 -2.960 -2.759 6.229 1.00 10.00 H new ATOM 0 HA TYR A 50 -0.373 -3.442 5.078 1.00 10.00 H new ATOM 0 HB2 TYR A 50 -2.900 -4.986 5.613 1.00 10.00 H new ATOM 0 HB3 TYR A 50 -1.437 -5.678 4.942 1.00 10.00 H new ATOM 0 HD1 TYR A 50 0.710 -5.552 6.367 1.00 10.00 H new ATOM 0 HD2 TYR A 50 -3.166 -4.786 7.961 1.00 10.00 H new ATOM 0 HE1 TYR A 50 1.511 -6.154 8.597 1.00 10.00 H new ATOM 0 HE2 TYR A 50 -2.333 -5.303 10.213 1.00 10.00 H new ATOM 0 HH TYR A 50 -0.630 -6.049 11.420 1.00 10.00 H new ATOM 838 N SER A 51 -3.132 -3.046 3.251 1.00 10.00 N ATOM 839 CA SER A 51 -3.488 -2.875 1.842 1.00 10.00 C ATOM 840 C SER A 51 -2.626 -1.762 1.230 1.00 10.00 C ATOM 841 O SER A 51 -1.882 -1.062 1.918 1.00 10.00 O ATOM 842 CB SER A 51 -4.963 -2.561 1.690 1.00 10.00 C ATOM 843 OG SER A 51 -5.329 -1.537 2.573 1.00 10.00 O ATOM 0 H SER A 51 -3.863 -2.820 3.926 1.00 10.00 H new ATOM 0 HA SER A 51 -3.296 -3.807 1.311 1.00 10.00 H new ATOM 0 HB2 SER A 51 -5.175 -2.261 0.664 1.00 10.00 H new ATOM 0 HB3 SER A 51 -5.556 -3.454 1.890 1.00 10.00 H new ATOM 0 HG SER A 51 -5.207 -1.842 3.496 1.00 10.00 H new ATOM 849 N SER A 52 -2.755 -1.603 -0.082 1.00 10.00 N ATOM 850 CA SER A 52 -2.001 -0.616 -0.822 1.00 10.00 C ATOM 851 C SER A 52 -2.948 0.489 -1.345 1.00 10.00 C ATOM 852 O SER A 52 -4.163 0.302 -1.425 1.00 10.00 O ATOM 853 CB SER A 52 -1.237 -1.325 -1.956 1.00 10.00 C ATOM 854 OG SER A 52 -1.801 -2.620 -2.224 1.00 10.00 O ATOM 0 H SER A 52 -3.388 -2.159 -0.657 1.00 10.00 H new ATOM 0 HA SER A 52 -1.271 -0.126 -0.178 1.00 10.00 H new ATOM 0 HB2 SER A 52 -1.271 -0.715 -2.859 1.00 10.00 H new ATOM 0 HB3 SER A 52 -0.187 -1.431 -1.682 1.00 10.00 H new ATOM 0 HG SER A 52 -1.301 -3.051 -2.948 1.00 10.00 H new ATOM 860 N ILE A 53 -2.344 1.628 -1.721 1.00 10.00 N ATOM 861 CA ILE A 53 -3.044 2.840 -2.156 1.00 10.00 C ATOM 862 C ILE A 53 -2.400 3.323 -3.478 1.00 10.00 C ATOM 863 O ILE A 53 -1.258 2.973 -3.747 1.00 10.00 O ATOM 864 CB ILE A 53 -2.974 3.969 -1.060 1.00 10.00 C ATOM 865 CG1 ILE A 53 -3.737 3.609 0.230 1.00 10.00 C ATOM 866 CG2 ILE A 53 -3.509 5.294 -1.579 1.00 10.00 C ATOM 867 CD1 ILE A 53 -3.133 2.478 1.038 1.00 10.00 C ATOM 0 H ILE A 53 -1.329 1.730 -1.730 1.00 10.00 H new ATOM 0 HA ILE A 53 -4.099 2.613 -2.312 1.00 10.00 H new ATOM 0 HB ILE A 53 -1.914 4.063 -0.822 1.00 10.00 H new ATOM 0 HG12 ILE A 53 -3.793 4.496 0.861 1.00 10.00 H new ATOM 0 HG13 ILE A 53 -4.760 3.341 -0.034 1.00 10.00 H new ATOM 0 HG21 ILE A 53 -3.443 6.046 -0.793 1.00 10.00 H new ATOM 0 HG22 ILE A 53 -2.918 5.614 -2.437 1.00 10.00 H new ATOM 0 HG23 ILE A 53 -4.550 5.173 -1.880 1.00 10.00 H new ATOM 0 HD11 ILE A 53 -3.741 2.300 1.925 1.00 10.00 H new ATOM 0 HD12 ILE A 53 -3.103 1.573 0.431 1.00 10.00 H new ATOM 0 HD13 ILE A 53 -2.121 2.747 1.340 1.00 10.00 H new ATOM 879 N CYS A 54 -3.092 4.132 -4.290 1.00 10.00 N ATOM 880 CA CYS A 54 -2.506 4.636 -5.531 1.00 10.00 C ATOM 881 C CYS A 54 -2.126 6.140 -5.430 1.00 10.00 C ATOM 882 O CYS A 54 -2.708 6.911 -4.666 1.00 10.00 O ATOM 883 CB CYS A 54 -3.455 4.335 -6.698 1.00 10.00 C ATOM 884 SG CYS A 54 -4.928 5.353 -6.747 1.00 10.00 S ATOM 0 H CYS A 54 -4.046 4.446 -4.111 1.00 10.00 H new ATOM 0 HA CYS A 54 -1.565 4.118 -5.717 1.00 10.00 H new ATOM 0 HB2 CYS A 54 -2.910 4.463 -7.634 1.00 10.00 H new ATOM 0 HB3 CYS A 54 -3.755 3.288 -6.644 1.00 10.00 H new ATOM 0 HG CYS A 54 -5.843 4.829 -5.987 1.00 10.00 H new ATOM 889 N SER A 55 -1.121 6.496 -6.237 1.00 10.00 N ATOM 890 CA SER A 55 -0.439 7.819 -6.277 1.00 10.00 C ATOM 891 C SER A 55 -1.297 9.088 -6.317 1.00 10.00 C ATOM 892 O SER A 55 -1.009 10.042 -5.591 1.00 10.00 O ATOM 893 CB SER A 55 0.521 7.824 -7.472 1.00 10.00 C ATOM 894 OG SER A 55 -0.132 7.423 -8.663 1.00 10.00 O ATOM 0 H SER A 55 -0.732 5.845 -6.919 1.00 10.00 H new ATOM 0 HA SER A 55 0.050 7.890 -5.305 1.00 10.00 H new ATOM 0 HB2 SER A 55 0.937 8.823 -7.602 1.00 10.00 H new ATOM 0 HB3 SER A 55 1.357 7.155 -7.271 1.00 10.00 H new ATOM 0 HG SER A 55 -0.082 8.146 -9.323 1.00 10.00 H new ATOM 900 N GLU A 56 -2.347 9.083 -7.102 1.00 10.00 N ATOM 901 CA GLU A 56 -3.206 10.257 -7.300 1.00 10.00 C ATOM 902 C GLU A 56 -3.788 10.838 -6.006 1.00 10.00 C ATOM 903 O GLU A 56 -4.295 11.956 -5.987 1.00 10.00 O ATOM 904 CB GLU A 56 -4.351 9.840 -8.211 1.00 10.00 C ATOM 905 CG GLU A 56 -4.811 8.424 -7.917 1.00 10.00 C ATOM 906 CD GLU A 56 -6.282 8.314 -7.603 1.00 10.00 C ATOM 907 OE1 GLU A 56 -7.066 9.148 -8.081 1.00 10.00 O ATOM 908 OE2 GLU A 56 -6.656 7.360 -6.873 1.00 10.00 O ATOM 0 H GLU A 56 -2.644 8.264 -7.632 1.00 10.00 H new ATOM 0 HA GLU A 56 -2.586 11.044 -7.730 1.00 10.00 H new ATOM 0 HB2 GLU A 56 -5.187 10.528 -8.085 1.00 10.00 H new ATOM 0 HB3 GLU A 56 -4.034 9.912 -9.251 1.00 10.00 H new ATOM 0 HG2 GLU A 56 -4.584 7.793 -8.776 1.00 10.00 H new ATOM 0 HG3 GLU A 56 -4.239 8.034 -7.075 1.00 10.00 H new ATOM 915 N HIS A 57 -3.712 10.073 -4.935 1.00 10.00 N ATOM 916 CA HIS A 57 -4.274 10.498 -3.655 1.00 10.00 C ATOM 917 C HIS A 57 -3.355 11.393 -2.823 1.00 10.00 C ATOM 918 O HIS A 57 -3.821 12.047 -1.887 1.00 10.00 O ATOM 919 CB HIS A 57 -4.655 9.278 -2.837 1.00 10.00 C ATOM 920 CG HIS A 57 -5.815 8.543 -3.413 1.00 10.00 C ATOM 921 ND1 HIS A 57 -7.025 9.133 -3.710 1.00 10.00 N ATOM 922 CD2 HIS A 57 -5.925 7.245 -3.779 1.00 10.00 C ATOM 923 CE1 HIS A 57 -7.815 8.194 -4.239 1.00 10.00 C ATOM 924 NE2 HIS A 57 -7.190 7.026 -4.306 1.00 10.00 N ATOM 0 H HIS A 57 -3.269 9.154 -4.919 1.00 10.00 H new ATOM 0 HA HIS A 57 -5.147 11.103 -3.901 1.00 10.00 H new ATOM 0 HB2 HIS A 57 -3.799 8.606 -2.773 1.00 10.00 H new ATOM 0 HB3 HIS A 57 -4.894 9.587 -1.820 1.00 10.00 H new ATOM 0 HD2 HIS A 57 -5.151 6.498 -3.677 1.00 10.00 H new ATOM 0 HE1 HIS A 57 -8.829 8.364 -4.569 1.00 10.00 H new ATOM 0 HE2 HIS A 57 -7.562 6.149 -4.670 1.00 10.00 H new ATOM 932 N PHE A 58 -2.071 11.427 -3.127 1.00 10.00 N ATOM 933 CA PHE A 58 -1.146 12.249 -2.357 1.00 10.00 C ATOM 934 C PHE A 58 -0.377 13.148 -3.282 1.00 10.00 C ATOM 935 O PHE A 58 -0.495 13.049 -4.505 1.00 10.00 O ATOM 936 CB PHE A 58 -0.166 11.408 -1.522 1.00 10.00 C ATOM 937 CG PHE A 58 -0.324 9.938 -1.676 1.00 10.00 C ATOM 938 CD1 PHE A 58 0.340 9.299 -2.692 1.00 10.00 C ATOM 939 CD2 PHE A 58 -1.106 9.195 -0.811 1.00 10.00 C ATOM 940 CE1 PHE A 58 0.237 7.946 -2.858 1.00 10.00 C ATOM 941 CE2 PHE A 58 -1.218 7.833 -0.968 1.00 10.00 C ATOM 942 CZ PHE A 58 -0.542 7.204 -1.995 1.00 10.00 C ATOM 0 H PHE A 58 -1.645 10.903 -3.892 1.00 10.00 H new ATOM 0 HA PHE A 58 -1.741 12.841 -1.662 1.00 10.00 H new ATOM 0 HB2 PHE A 58 0.853 11.681 -1.797 1.00 10.00 H new ATOM 0 HB3 PHE A 58 -0.292 11.665 -0.470 1.00 10.00 H new ATOM 0 HD1 PHE A 58 0.953 9.873 -3.371 1.00 10.00 H new ATOM 0 HD2 PHE A 58 -1.632 9.687 -0.007 1.00 10.00 H new ATOM 0 HE1 PHE A 58 0.765 7.459 -3.664 1.00 10.00 H new ATOM 0 HE2 PHE A 58 -1.832 7.258 -0.291 1.00 10.00 H new ATOM 0 HZ PHE A 58 -0.623 6.135 -2.122 1.00 10.00 H new ATOM 952 N THR A 59 0.408 14.027 -2.703 1.00 10.00 N ATOM 953 CA THR A 59 1.195 14.926 -3.491 1.00 10.00 C ATOM 954 C THR A 59 2.407 14.191 -4.007 1.00 10.00 C ATOM 955 O THR A 59 2.979 13.367 -3.301 1.00 10.00 O ATOM 956 CB THR A 59 1.631 16.136 -2.663 1.00 10.00 C ATOM 957 OG1 THR A 59 1.821 15.751 -1.290 1.00 10.00 O ATOM 958 CG2 THR A 59 0.583 17.222 -2.752 1.00 10.00 C ATOM 0 H THR A 59 0.513 14.133 -1.694 1.00 10.00 H new ATOM 0 HA THR A 59 0.595 15.287 -4.326 1.00 10.00 H new ATOM 0 HB THR A 59 2.574 16.515 -3.058 1.00 10.00 H new ATOM 0 HG1 THR A 59 2.102 16.531 -0.767 1.00 10.00 H new ATOM 0 HG21 THR A 59 0.899 18.081 -2.160 1.00 10.00 H new ATOM 0 HG22 THR A 59 0.459 17.523 -3.792 1.00 10.00 H new ATOM 0 HG23 THR A 59 -0.365 16.845 -2.368 1.00 10.00 H new ATOM 966 N PRO A 60 2.798 14.470 -5.241 1.00 10.00 N ATOM 967 CA PRO A 60 3.957 13.849 -5.878 1.00 10.00 C ATOM 968 C PRO A 60 5.218 13.929 -5.024 1.00 10.00 C ATOM 969 O PRO A 60 6.030 13.005 -4.991 1.00 10.00 O ATOM 970 CB PRO A 60 4.142 14.694 -7.149 1.00 10.00 C ATOM 971 CG PRO A 60 3.253 15.886 -6.977 1.00 10.00 C ATOM 972 CD PRO A 60 2.122 15.412 -6.144 1.00 10.00 C ATOM 0 HA PRO A 60 3.798 12.785 -6.053 1.00 10.00 H new ATOM 0 HB2 PRO A 60 5.182 14.996 -7.270 1.00 10.00 H new ATOM 0 HB3 PRO A 60 3.869 14.127 -8.039 1.00 10.00 H new ATOM 0 HG2 PRO A 60 3.783 16.705 -6.491 1.00 10.00 H new ATOM 0 HG3 PRO A 60 2.904 16.259 -7.940 1.00 10.00 H new ATOM 0 HD2 PRO A 60 1.642 16.227 -5.602 1.00 10.00 H new ATOM 0 HD3 PRO A 60 1.349 14.926 -6.740 1.00 10.00 H new ATOM 980 N ASP A 61 5.307 15.018 -4.274 1.00 10.00 N ATOM 981 CA ASP A 61 6.433 15.246 -3.369 1.00 10.00 C ATOM 982 C ASP A 61 6.466 14.133 -2.345 1.00 10.00 C ATOM 983 O ASP A 61 7.512 13.577 -2.024 1.00 10.00 O ATOM 984 CB ASP A 61 6.297 16.587 -2.648 1.00 10.00 C ATOM 985 CG ASP A 61 6.229 17.750 -3.616 1.00 10.00 C ATOM 986 OD1 ASP A 61 7.295 18.179 -4.113 1.00 10.00 O ATOM 987 OD2 ASP A 61 5.116 18.233 -3.895 1.00 10.00 O ATOM 0 H ASP A 61 4.611 15.763 -4.272 1.00 10.00 H new ATOM 0 HA ASP A 61 7.354 15.262 -3.952 1.00 10.00 H new ATOM 0 HB2 ASP A 61 5.399 16.577 -2.031 1.00 10.00 H new ATOM 0 HB3 ASP A 61 7.144 16.724 -1.976 1.00 10.00 H new ATOM 992 N SER A 62 5.279 13.827 -1.851 1.00 10.00 N ATOM 993 CA SER A 62 5.075 12.871 -0.784 1.00 10.00 C ATOM 994 C SER A 62 4.781 11.456 -1.265 1.00 10.00 C ATOM 995 O SER A 62 4.522 10.568 -0.466 1.00 10.00 O ATOM 996 CB SER A 62 3.859 13.315 0.017 1.00 10.00 C ATOM 997 OG SER A 62 3.935 12.868 1.357 1.00 10.00 O ATOM 0 H SER A 62 4.413 14.247 -2.190 1.00 10.00 H new ATOM 0 HA SER A 62 6.001 12.846 -0.210 1.00 10.00 H new ATOM 0 HB2 SER A 62 3.785 14.402 -0.002 1.00 10.00 H new ATOM 0 HB3 SER A 62 2.953 12.926 -0.448 1.00 10.00 H new ATOM 0 HG SER A 62 3.040 12.620 1.670 1.00 10.00 H new ATOM 1003 N PHE A 63 4.816 11.277 -2.577 1.00 10.00 N ATOM 1004 CA PHE A 63 4.540 9.976 -3.218 1.00 10.00 C ATOM 1005 C PHE A 63 5.066 8.753 -2.434 1.00 10.00 C ATOM 1006 O PHE A 63 4.277 7.880 -2.070 1.00 10.00 O ATOM 1007 CB PHE A 63 5.097 9.911 -4.643 1.00 10.00 C ATOM 1008 CG PHE A 63 4.133 10.350 -5.719 1.00 10.00 C ATOM 1009 CD1 PHE A 63 2.765 10.271 -5.524 1.00 10.00 C ATOM 1010 CD2 PHE A 63 4.597 10.829 -6.933 1.00 10.00 C ATOM 1011 CE1 PHE A 63 1.883 10.662 -6.503 1.00 10.00 C ATOM 1012 CE2 PHE A 63 3.714 11.222 -7.924 1.00 10.00 C ATOM 1013 CZ PHE A 63 2.355 11.138 -7.705 1.00 10.00 C ATOM 0 H PHE A 63 5.035 12.023 -3.238 1.00 10.00 H new ATOM 0 HA PHE A 63 3.452 9.918 -3.232 1.00 10.00 H new ATOM 0 HB2 PHE A 63 5.990 10.534 -4.698 1.00 10.00 H new ATOM 0 HB3 PHE A 63 5.409 8.887 -4.850 1.00 10.00 H new ATOM 0 HD1 PHE A 63 2.384 9.895 -4.586 1.00 10.00 H new ATOM 0 HD2 PHE A 63 5.660 10.897 -7.109 1.00 10.00 H new ATOM 0 HE1 PHE A 63 0.819 10.596 -6.329 1.00 10.00 H new ATOM 0 HE2 PHE A 63 4.088 11.594 -8.866 1.00 10.00 H new ATOM 0 HZ PHE A 63 1.663 11.445 -8.475 1.00 10.00 H new ATOM 1023 N LYS A 64 6.387 8.665 -2.197 1.00 10.00 N ATOM 1024 CA LYS A 64 6.962 7.506 -1.481 1.00 10.00 C ATOM 1025 C LYS A 64 8.421 7.738 -1.088 1.00 10.00 C ATOM 1026 O LYS A 64 8.792 8.843 -0.726 1.00 10.00 O ATOM 1027 CB LYS A 64 6.850 6.252 -2.345 1.00 10.00 C ATOM 1028 CG LYS A 64 7.335 6.454 -3.770 1.00 10.00 C ATOM 1029 CD LYS A 64 7.615 5.128 -4.453 1.00 10.00 C ATOM 1030 CE LYS A 64 7.004 5.070 -5.847 1.00 10.00 C ATOM 1031 NZ LYS A 64 6.925 3.673 -6.366 1.00 10.00 N ATOM 0 H LYS A 64 7.068 9.368 -2.484 1.00 10.00 H new ATOM 0 HA LYS A 64 6.391 7.373 -0.562 1.00 10.00 H new ATOM 0 HB2 LYS A 64 7.426 5.450 -1.884 1.00 10.00 H new ATOM 0 HB3 LYS A 64 5.810 5.926 -2.366 1.00 10.00 H new ATOM 0 HG2 LYS A 64 6.585 7.005 -4.337 1.00 10.00 H new ATOM 0 HG3 LYS A 64 8.240 7.061 -3.765 1.00 10.00 H new ATOM 0 HD2 LYS A 64 8.692 4.975 -4.521 1.00 10.00 H new ATOM 0 HD3 LYS A 64 7.215 4.315 -3.847 1.00 10.00 H new ATOM 0 HE2 LYS A 64 6.005 5.505 -5.823 1.00 10.00 H new ATOM 0 HE3 LYS A 64 7.599 5.677 -6.529 1.00 10.00 H new ATOM 0 HZ1 LYS A 64 6.503 3.679 -7.317 1.00 10.00 H new ATOM 0 HZ2 LYS A 64 7.881 3.266 -6.414 1.00 10.00 H new ATOM 0 HZ3 LYS A 64 6.336 3.099 -5.730 1.00 10.00 H new ATOM 1045 N ARG A 65 9.247 6.686 -1.173 1.00 10.00 N ATOM 1046 CA ARG A 65 10.671 6.760 -0.799 1.00 10.00 C ATOM 1047 C ARG A 65 11.445 7.815 -1.589 1.00 10.00 C ATOM 1048 O ARG A 65 12.550 8.190 -1.204 1.00 10.00 O ATOM 1049 CB ARG A 65 11.357 5.386 -0.938 1.00 10.00 C ATOM 1050 CG ARG A 65 10.943 4.581 -2.162 1.00 10.00 C ATOM 1051 CD ARG A 65 11.140 3.081 -1.939 1.00 10.00 C ATOM 1052 NE ARG A 65 12.462 2.608 -2.378 1.00 10.00 N ATOM 1053 CZ ARG A 65 12.916 1.358 -2.186 1.00 10.00 C ATOM 1054 NH1 ARG A 65 12.185 0.485 -1.504 1.00 10.00 N ATOM 1055 NH2 ARG A 65 14.110 0.988 -2.664 1.00 10.00 N ATOM 0 H ARG A 65 8.953 5.766 -1.500 1.00 10.00 H new ATOM 0 HA ARG A 65 10.689 7.065 0.247 1.00 10.00 H new ATOM 0 HB2 ARG A 65 12.436 5.537 -0.969 1.00 10.00 H new ATOM 0 HB3 ARG A 65 11.143 4.798 -0.046 1.00 10.00 H new ATOM 0 HG2 ARG A 65 9.897 4.781 -2.394 1.00 10.00 H new ATOM 0 HG3 ARG A 65 11.527 4.902 -3.024 1.00 10.00 H new ATOM 0 HD2 ARG A 65 11.012 2.856 -0.880 1.00 10.00 H new ATOM 0 HD3 ARG A 65 10.366 2.534 -2.477 1.00 10.00 H new ATOM 0 HE ARG A 65 13.072 3.270 -2.858 1.00 10.00 H new ATOM 0 HH11 ARG A 65 11.279 0.763 -1.126 1.00 10.00 H new ATOM 0 HH12 ARG A 65 12.529 -0.464 -1.358 1.00 10.00 H new ATOM 0 HH21 ARG A 65 14.683 1.657 -3.179 1.00 10.00 H new ATOM 0 HH22 ARG A 65 14.447 0.037 -2.514 1.00 10.00 H new ATOM 1069 N GLU A 66 10.857 8.301 -2.674 1.00 10.00 N ATOM 1070 CA GLU A 66 11.490 9.322 -3.502 1.00 10.00 C ATOM 1071 C GLU A 66 11.196 10.710 -2.926 1.00 10.00 C ATOM 1072 O GLU A 66 11.464 11.732 -3.559 1.00 10.00 O ATOM 1073 CB GLU A 66 11.008 9.220 -4.958 1.00 10.00 C ATOM 1074 CG GLU A 66 10.761 7.794 -5.410 1.00 10.00 C ATOM 1075 CD GLU A 66 9.985 7.728 -6.708 1.00 10.00 C ATOM 1076 OE1 GLU A 66 10.613 7.787 -7.787 1.00 10.00 O ATOM 1077 OE2 GLU A 66 8.746 7.615 -6.661 1.00 10.00 O ATOM 0 H GLU A 66 9.939 8.004 -3.003 1.00 10.00 H new ATOM 0 HA GLU A 66 12.568 9.161 -3.498 1.00 10.00 H new ATOM 0 HB2 GLU A 66 10.088 9.794 -5.070 1.00 10.00 H new ATOM 0 HB3 GLU A 66 11.750 9.678 -5.612 1.00 10.00 H new ATOM 0 HG2 GLU A 66 11.716 7.284 -5.534 1.00 10.00 H new ATOM 0 HG3 GLU A 66 10.213 7.259 -4.634 1.00 10.00 H new ATOM 1084 N SER A 67 10.585 10.720 -1.740 1.00 10.00 N ATOM 1085 CA SER A 67 10.225 11.945 -1.043 1.00 10.00 C ATOM 1086 C SER A 67 11.463 12.682 -0.500 1.00 10.00 C ATOM 1087 O SER A 67 12.200 13.316 -1.259 1.00 10.00 O ATOM 1088 CB SER A 67 9.219 11.594 0.077 1.00 10.00 C ATOM 1089 OG SER A 67 9.193 12.546 1.124 1.00 10.00 O ATOM 0 H SER A 67 10.327 9.871 -1.237 1.00 10.00 H new ATOM 0 HA SER A 67 9.756 12.636 -1.743 1.00 10.00 H new ATOM 0 HB2 SER A 67 8.221 11.510 -0.354 1.00 10.00 H new ATOM 0 HB3 SER A 67 9.471 10.617 0.490 1.00 10.00 H new ATOM 0 HG SER A 67 9.376 12.099 1.977 1.00 10.00 H new ATOM 1095 N ASN A 68 11.668 12.620 0.807 1.00 10.00 N ATOM 1096 CA ASN A 68 12.782 13.293 1.453 1.00 10.00 C ATOM 1097 C ASN A 68 13.906 12.333 1.819 1.00 10.00 C ATOM 1098 O ASN A 68 14.991 12.375 1.238 1.00 10.00 O ATOM 1099 CB ASN A 68 12.292 14.003 2.715 1.00 10.00 C ATOM 1100 CG ASN A 68 12.669 15.472 2.762 1.00 10.00 C ATOM 1101 OD1 ASN A 68 11.940 16.327 2.264 1.00 10.00 O ATOM 1102 ND2 ASN A 68 13.811 15.774 3.364 1.00 10.00 N ATOM 0 H ASN A 68 11.067 12.102 1.448 1.00 10.00 H new ATOM 0 HA ASN A 68 13.182 14.014 0.741 1.00 10.00 H new ATOM 0 HB2 ASN A 68 11.208 13.911 2.777 1.00 10.00 H new ATOM 0 HB3 ASN A 68 12.705 13.501 3.590 1.00 10.00 H new ATOM 0 HD21 ASN A 68 14.113 16.746 3.426 1.00 10.00 H new ATOM 0 HD22 ASN A 68 14.387 15.034 3.765 1.00 10.00 H new ATOM 1109 N ASN A 69 13.641 11.471 2.796 1.00 10.00 N ATOM 1110 CA ASN A 69 14.650 10.537 3.279 1.00 10.00 C ATOM 1111 C ASN A 69 14.468 9.143 2.706 1.00 10.00 C ATOM 1112 O ASN A 69 15.253 8.707 1.868 1.00 10.00 O ATOM 1113 CB ASN A 69 14.625 10.472 4.815 1.00 10.00 C ATOM 1114 CG ASN A 69 15.506 9.359 5.372 1.00 10.00 C ATOM 1115 OD1 ASN A 69 16.594 9.090 4.863 1.00 10.00 O ATOM 1116 ND2 ASN A 69 15.038 8.710 6.429 1.00 10.00 N ATOM 0 H ASN A 69 12.739 11.401 3.267 1.00 10.00 H new ATOM 0 HA ASN A 69 15.617 10.910 2.941 1.00 10.00 H new ATOM 0 HB2 ASN A 69 14.955 11.428 5.220 1.00 10.00 H new ATOM 0 HB3 ASN A 69 13.599 10.320 5.151 1.00 10.00 H new ATOM 0 HD21 ASN A 69 15.585 7.958 6.849 1.00 10.00 H new ATOM 0 HD22 ASN A 69 14.131 8.962 6.822 1.00 10.00 H new ATOM 1123 N LYS A 70 13.440 8.440 3.158 1.00 10.00 N ATOM 1124 CA LYS A 70 13.207 7.083 2.691 1.00 10.00 C ATOM 1125 C LYS A 70 11.718 6.764 2.604 1.00 10.00 C ATOM 1126 O LYS A 70 11.333 5.678 2.185 1.00 10.00 O ATOM 1127 CB LYS A 70 13.880 6.094 3.644 1.00 10.00 C ATOM 1128 CG LYS A 70 14.452 4.858 2.962 1.00 10.00 C ATOM 1129 CD LYS A 70 15.630 5.201 2.055 1.00 10.00 C ATOM 1130 CE LYS A 70 16.781 5.819 2.839 1.00 10.00 C ATOM 1131 NZ LYS A 70 17.856 6.334 1.956 1.00 10.00 N ATOM 0 H LYS A 70 12.762 8.782 3.839 1.00 10.00 H new ATOM 0 HA LYS A 70 13.631 6.996 1.691 1.00 10.00 H new ATOM 0 HB2 LYS A 70 14.683 6.607 4.174 1.00 10.00 H new ATOM 0 HB3 LYS A 70 13.154 5.778 4.393 1.00 10.00 H new ATOM 0 HG2 LYS A 70 14.773 4.142 3.719 1.00 10.00 H new ATOM 0 HG3 LYS A 70 13.672 4.373 2.375 1.00 10.00 H new ATOM 0 HD2 LYS A 70 15.976 4.299 1.550 1.00 10.00 H new ATOM 0 HD3 LYS A 70 15.303 5.894 1.280 1.00 10.00 H new ATOM 0 HE2 LYS A 70 16.401 6.633 3.456 1.00 10.00 H new ATOM 0 HE3 LYS A 70 17.197 5.073 3.516 1.00 10.00 H new ATOM 0 HZ1 LYS A 70 18.615 6.744 2.536 1.00 10.00 H new ATOM 0 HZ2 LYS A 70 18.240 5.554 1.385 1.00 10.00 H new ATOM 0 HZ3 LYS A 70 17.468 7.065 1.327 1.00 10.00 H new ATOM 1145 N LEU A 71 10.888 7.715 2.995 1.00 10.00 N ATOM 1146 CA LEU A 71 9.448 7.520 2.985 1.00 10.00 C ATOM 1147 C LEU A 71 8.772 8.802 2.513 1.00 10.00 C ATOM 1148 O LEU A 71 9.448 9.650 1.959 1.00 10.00 O ATOM 1149 CB LEU A 71 8.999 7.119 4.393 1.00 10.00 C ATOM 1150 CG LEU A 71 8.008 5.959 4.449 1.00 10.00 C ATOM 1151 CD1 LEU A 71 6.790 6.358 5.250 1.00 10.00 C ATOM 1152 CD2 LEU A 71 7.617 5.526 3.041 1.00 10.00 C ATOM 0 H LEU A 71 11.187 8.633 3.324 1.00 10.00 H new ATOM 0 HA LEU A 71 9.164 6.724 2.297 1.00 10.00 H new ATOM 0 HB2 LEU A 71 9.880 6.853 4.977 1.00 10.00 H new ATOM 0 HB3 LEU A 71 8.548 7.986 4.875 1.00 10.00 H new ATOM 0 HG LEU A 71 8.482 5.111 4.943 1.00 10.00 H new ATOM 0 HD11 LEU A 71 6.088 5.525 5.285 1.00 10.00 H new ATOM 0 HD12 LEU A 71 7.091 6.621 6.264 1.00 10.00 H new ATOM 0 HD13 LEU A 71 6.311 7.217 4.780 1.00 10.00 H new ATOM 0 HD21 LEU A 71 6.910 4.698 3.098 1.00 10.00 H new ATOM 0 HD22 LEU A 71 7.154 6.363 2.518 1.00 10.00 H new ATOM 0 HD23 LEU A 71 8.507 5.207 2.498 1.00 10.00 H new ATOM 1164 N LEU A 72 7.458 8.957 2.787 1.00 10.00 N ATOM 1165 CA LEU A 72 6.683 10.128 2.324 1.00 10.00 C ATOM 1166 C LEU A 72 7.219 11.402 2.943 1.00 10.00 C ATOM 1167 O LEU A 72 8.276 11.463 3.577 1.00 10.00 O ATOM 1168 CB LEU A 72 5.188 9.963 2.600 1.00 10.00 C ATOM 1169 CG LEU A 72 4.579 8.678 2.035 1.00 10.00 C ATOM 1170 CD1 LEU A 72 4.638 7.561 3.041 1.00 10.00 C ATOM 1171 CD2 LEU A 72 3.147 8.886 1.612 1.00 10.00 C ATOM 0 H LEU A 72 6.912 8.285 3.327 1.00 10.00 H new ATOM 0 HA LEU A 72 6.802 10.198 1.243 1.00 10.00 H new ATOM 0 HB2 LEU A 72 5.025 9.984 3.678 1.00 10.00 H new ATOM 0 HB3 LEU A 72 4.657 10.817 2.180 1.00 10.00 H new ATOM 0 HG LEU A 72 5.171 8.406 1.161 1.00 10.00 H new ATOM 0 HD11 LEU A 72 4.198 6.661 2.612 1.00 10.00 H new ATOM 0 HD12 LEU A 72 5.677 7.366 3.307 1.00 10.00 H new ATOM 0 HD13 LEU A 72 4.082 7.846 3.934 1.00 10.00 H new ATOM 0 HD21 LEU A 72 2.746 7.953 1.216 1.00 10.00 H new ATOM 0 HD22 LEU A 72 2.555 9.199 2.472 1.00 10.00 H new ATOM 0 HD23 LEU A 72 3.103 9.656 0.842 1.00 10.00 H new ATOM 1183 N LYS A 73 6.410 12.430 2.736 1.00 10.00 N ATOM 1184 CA LYS A 73 6.594 13.711 3.359 1.00 10.00 C ATOM 1185 C LYS A 73 5.880 13.552 4.687 1.00 10.00 C ATOM 1186 O LYS A 73 4.660 13.509 4.731 1.00 10.00 O ATOM 1187 CB LYS A 73 5.936 14.855 2.567 1.00 10.00 C ATOM 1188 CG LYS A 73 6.901 15.729 1.788 1.00 10.00 C ATOM 1189 CD LYS A 73 7.725 14.918 0.825 1.00 10.00 C ATOM 1190 CE LYS A 73 9.041 15.599 0.499 1.00 10.00 C ATOM 1191 NZ LYS A 73 8.892 17.069 0.321 1.00 10.00 N ATOM 0 H LYS A 73 5.598 12.386 2.120 1.00 10.00 H new ATOM 0 HA LYS A 73 7.650 13.972 3.433 1.00 10.00 H new ATOM 0 HB2 LYS A 73 5.213 14.428 1.872 1.00 10.00 H new ATOM 0 HB3 LYS A 73 5.378 15.484 3.261 1.00 10.00 H new ATOM 0 HG2 LYS A 73 6.344 16.490 1.241 1.00 10.00 H new ATOM 0 HG3 LYS A 73 7.560 16.253 2.481 1.00 10.00 H new ATOM 0 HD2 LYS A 73 7.921 13.934 1.252 1.00 10.00 H new ATOM 0 HD3 LYS A 73 7.160 14.760 -0.094 1.00 10.00 H new ATOM 0 HE2 LYS A 73 9.756 15.403 1.298 1.00 10.00 H new ATOM 0 HE3 LYS A 73 9.455 15.166 -0.412 1.00 10.00 H new ATOM 0 HZ1 LYS A 73 9.605 17.411 -0.354 1.00 10.00 H new ATOM 0 HZ2 LYS A 73 7.941 17.280 -0.043 1.00 10.00 H new ATOM 0 HZ3 LYS A 73 9.026 17.545 1.236 1.00 10.00 H new ATOM 1205 N GLU A 74 6.636 13.341 5.740 1.00 10.00 N ATOM 1206 CA GLU A 74 6.085 13.123 7.085 1.00 10.00 C ATOM 1207 C GLU A 74 5.058 14.169 7.548 1.00 10.00 C ATOM 1208 O GLU A 74 4.353 13.985 8.543 1.00 10.00 O ATOM 1209 CB GLU A 74 7.247 13.082 8.073 1.00 10.00 C ATOM 1210 CG GLU A 74 7.171 14.106 9.196 1.00 10.00 C ATOM 1211 CD GLU A 74 8.523 14.636 9.606 1.00 10.00 C ATOM 1212 OE1 GLU A 74 9.251 13.918 10.314 1.00 10.00 O ATOM 1213 OE2 GLU A 74 8.852 15.776 9.226 1.00 10.00 O ATOM 0 H GLU A 74 7.655 13.313 5.702 1.00 10.00 H new ATOM 0 HA GLU A 74 5.536 12.182 7.046 1.00 10.00 H new ATOM 0 HB2 GLU A 74 7.296 12.086 8.512 1.00 10.00 H new ATOM 0 HB3 GLU A 74 8.177 13.234 7.524 1.00 10.00 H new ATOM 0 HG2 GLU A 74 6.542 14.938 8.879 1.00 10.00 H new ATOM 0 HG3 GLU A 74 6.688 13.652 10.061 1.00 10.00 H new ATOM 1220 N ASN A 75 4.972 15.234 6.786 1.00 10.00 N ATOM 1221 CA ASN A 75 4.003 16.299 7.026 1.00 10.00 C ATOM 1222 C ASN A 75 2.893 16.284 5.968 1.00 10.00 C ATOM 1223 O ASN A 75 2.174 17.266 5.782 1.00 10.00 O ATOM 1224 CB ASN A 75 4.706 17.637 6.985 1.00 10.00 C ATOM 1225 CG ASN A 75 5.127 18.123 8.356 1.00 10.00 C ATOM 1226 OD1 ASN A 75 5.286 19.321 8.577 1.00 10.00 O ATOM 1227 ND2 ASN A 75 5.319 17.201 9.285 1.00 10.00 N ATOM 0 H ASN A 75 5.571 15.395 5.976 1.00 10.00 H new ATOM 0 HA ASN A 75 3.553 16.137 8.006 1.00 10.00 H new ATOM 0 HB2 ASN A 75 5.586 17.560 6.346 1.00 10.00 H new ATOM 0 HB3 ASN A 75 4.045 18.375 6.530 1.00 10.00 H new ATOM 0 HD21 ASN A 75 5.609 17.475 10.224 1.00 10.00 H new ATOM 0 HD22 ASN A 75 5.177 16.216 9.063 1.00 10.00 H new ATOM 1234 N ALA A 76 2.757 15.165 5.284 1.00 10.00 N ATOM 1235 CA ALA A 76 1.752 14.982 4.230 1.00 10.00 C ATOM 1236 C ALA A 76 1.173 13.581 4.278 1.00 10.00 C ATOM 1237 O ALA A 76 1.823 12.578 4.571 1.00 10.00 O ATOM 1238 CB ALA A 76 2.375 15.196 2.852 1.00 10.00 C ATOM 0 H ALA A 76 3.342 14.344 5.438 1.00 10.00 H new ATOM 0 HA ALA A 76 0.962 15.714 4.399 1.00 10.00 H new ATOM 0 HB1 ALA A 76 1.615 15.056 2.083 1.00 10.00 H new ATOM 0 HB2 ALA A 76 2.775 16.208 2.787 1.00 10.00 H new ATOM 0 HB3 ALA A 76 3.180 14.477 2.701 1.00 10.00 H new ATOM 1244 N VAL A 77 -0.117 13.599 3.946 1.00 10.00 N ATOM 1245 CA VAL A 77 -1.008 12.456 3.916 1.00 10.00 C ATOM 1246 C VAL A 77 -1.999 12.656 2.758 1.00 10.00 C ATOM 1247 O VAL A 77 -2.262 13.799 2.376 1.00 10.00 O ATOM 1248 CB VAL A 77 -1.762 12.370 5.292 1.00 10.00 C ATOM 1249 CG1 VAL A 77 -1.779 13.724 5.991 1.00 10.00 C ATOM 1250 CG2 VAL A 77 -3.193 11.862 5.153 1.00 10.00 C ATOM 0 H VAL A 77 -0.588 14.463 3.677 1.00 10.00 H new ATOM 0 HA VAL A 77 -0.460 11.527 3.762 1.00 10.00 H new ATOM 0 HB VAL A 77 -1.207 11.649 5.892 1.00 10.00 H new ATOM 0 HG11 VAL A 77 -2.307 13.637 6.941 1.00 10.00 H new ATOM 0 HG12 VAL A 77 -0.756 14.052 6.173 1.00 10.00 H new ATOM 0 HG13 VAL A 77 -2.287 14.453 5.360 1.00 10.00 H new ATOM 0 HG21 VAL A 77 -3.663 11.824 6.136 1.00 10.00 H new ATOM 0 HG22 VAL A 77 -3.757 12.535 4.507 1.00 10.00 H new ATOM 0 HG23 VAL A 77 -3.184 10.863 4.717 1.00 10.00 H new ATOM 1260 N PRO A 78 -2.505 11.564 2.149 1.00 10.00 N ATOM 1261 CA PRO A 78 -3.492 11.629 1.063 1.00 10.00 C ATOM 1262 C PRO A 78 -4.574 12.611 1.468 1.00 10.00 C ATOM 1263 O PRO A 78 -5.226 12.474 2.501 1.00 10.00 O ATOM 1264 CB PRO A 78 -4.030 10.199 0.964 1.00 10.00 C ATOM 1265 CG PRO A 78 -3.406 9.440 2.082 1.00 10.00 C ATOM 1266 CD PRO A 78 -2.173 10.201 2.494 1.00 10.00 C ATOM 0 HA PRO A 78 -3.093 11.965 0.106 1.00 10.00 H new ATOM 0 HB2 PRO A 78 -5.117 10.186 1.044 1.00 10.00 H new ATOM 0 HB3 PRO A 78 -3.776 9.754 0.002 1.00 10.00 H new ATOM 0 HG2 PRO A 78 -4.099 9.345 2.918 1.00 10.00 H new ATOM 0 HG3 PRO A 78 -3.148 8.429 1.766 1.00 10.00 H new ATOM 0 HD2 PRO A 78 -1.968 10.092 3.559 1.00 10.00 H new ATOM 0 HD3 PRO A 78 -1.287 9.854 1.962 1.00 10.00 H new ATOM 1274 N THR A 79 -4.725 13.620 0.631 1.00 10.00 N ATOM 1275 CA THR A 79 -5.732 14.637 0.805 1.00 10.00 C ATOM 1276 C THR A 79 -6.611 14.723 -0.455 1.00 10.00 C ATOM 1277 O THR A 79 -7.681 15.329 -0.443 1.00 10.00 O ATOM 1278 CB THR A 79 -5.078 15.999 1.128 1.00 10.00 C ATOM 1279 OG1 THR A 79 -5.888 16.735 2.056 1.00 10.00 O ATOM 1280 CG2 THR A 79 -4.842 16.829 -0.129 1.00 10.00 C ATOM 0 H THR A 79 -4.143 13.754 -0.196 1.00 10.00 H new ATOM 0 HA THR A 79 -6.368 14.369 1.649 1.00 10.00 H new ATOM 0 HB THR A 79 -4.107 15.794 1.579 1.00 10.00 H new ATOM 0 HG1 THR A 79 -5.461 17.595 2.253 1.00 10.00 H new ATOM 0 HG21 THR A 79 -4.381 17.778 0.143 1.00 10.00 H new ATOM 0 HG22 THR A 79 -4.182 16.286 -0.805 1.00 10.00 H new ATOM 0 HG23 THR A 79 -5.794 17.017 -0.625 1.00 10.00 H new ATOM 1288 N ILE A 80 -6.163 14.074 -1.535 1.00 10.00 N ATOM 1289 CA ILE A 80 -6.850 14.129 -2.829 1.00 10.00 C ATOM 1290 C ILE A 80 -7.904 13.019 -2.945 1.00 10.00 C ATOM 1291 O ILE A 80 -8.477 12.809 -4.009 1.00 10.00 O ATOM 1292 CB ILE A 80 -5.847 13.954 -3.997 1.00 10.00 C ATOM 1293 CG1 ILE A 80 -4.476 14.563 -3.654 1.00 10.00 C ATOM 1294 CG2 ILE A 80 -6.403 14.565 -5.277 1.00 10.00 C ATOM 1295 CD1 ILE A 80 -4.389 16.057 -3.852 1.00 10.00 C ATOM 0 H ILE A 80 -5.320 13.500 -1.537 1.00 10.00 H new ATOM 0 HA ILE A 80 -7.330 15.106 -2.889 1.00 10.00 H new ATOM 0 HB ILE A 80 -5.704 12.885 -4.157 1.00 10.00 H new ATOM 0 HG12 ILE A 80 -4.239 14.332 -2.615 1.00 10.00 H new ATOM 0 HG13 ILE A 80 -3.715 14.083 -4.269 1.00 10.00 H new ATOM 0 HG21 ILE A 80 -5.684 14.432 -6.086 1.00 10.00 H new ATOM 0 HG22 ILE A 80 -7.339 14.072 -5.539 1.00 10.00 H new ATOM 0 HG23 ILE A 80 -6.584 15.629 -5.124 1.00 10.00 H new ATOM 0 HD11 ILE A 80 -3.389 16.402 -3.587 1.00 10.00 H new ATOM 0 HD12 ILE A 80 -4.591 16.298 -4.896 1.00 10.00 H new ATOM 0 HD13 ILE A 80 -5.124 16.552 -3.217 1.00 10.00 H new ATOM 1307 N PHE A 81 -8.123 12.297 -1.844 1.00 10.00 N ATOM 1308 CA PHE A 81 -9.061 11.164 -1.802 1.00 10.00 C ATOM 1309 C PHE A 81 -10.350 11.397 -2.580 1.00 10.00 C ATOM 1310 O PHE A 81 -10.725 10.553 -3.390 1.00 10.00 O ATOM 1311 CB PHE A 81 -9.408 10.810 -0.358 1.00 10.00 C ATOM 1312 CG PHE A 81 -8.506 9.766 0.238 1.00 10.00 C ATOM 1313 CD1 PHE A 81 -7.324 9.396 -0.384 1.00 10.00 C ATOM 1314 CD2 PHE A 81 -8.857 9.131 1.411 1.00 10.00 C ATOM 1315 CE1 PHE A 81 -6.515 8.419 0.156 1.00 10.00 C ATOM 1316 CE2 PHE A 81 -8.053 8.151 1.956 1.00 10.00 C ATOM 1317 CZ PHE A 81 -6.879 7.793 1.329 1.00 10.00 C ATOM 0 H PHE A 81 -7.657 12.478 -0.955 1.00 10.00 H new ATOM 0 HA PHE A 81 -8.540 10.339 -2.288 1.00 10.00 H new ATOM 0 HB2 PHE A 81 -9.357 11.713 0.251 1.00 10.00 H new ATOM 0 HB3 PHE A 81 -10.438 10.455 -0.317 1.00 10.00 H new ATOM 0 HD1 PHE A 81 -7.033 9.880 -1.305 1.00 10.00 H new ATOM 0 HD2 PHE A 81 -9.775 9.405 1.910 1.00 10.00 H new ATOM 0 HE1 PHE A 81 -5.596 8.144 -0.340 1.00 10.00 H new ATOM 0 HE2 PHE A 81 -8.344 7.664 2.875 1.00 10.00 H new ATOM 0 HZ PHE A 81 -6.248 7.027 1.754 1.00 10.00 H new ATOM 1327 N LEU A 82 -11.019 12.521 -2.338 1.00 10.00 N ATOM 1328 CA LEU A 82 -12.280 12.816 -3.011 1.00 10.00 C ATOM 1329 C LEU A 82 -12.734 14.233 -2.716 1.00 10.00 C ATOM 1330 O LEU A 82 -12.344 14.824 -1.704 1.00 10.00 O ATOM 1331 CB LEU A 82 -13.368 11.854 -2.527 1.00 10.00 C ATOM 1332 CG LEU A 82 -13.858 10.774 -3.514 1.00 10.00 C ATOM 1333 CD1 LEU A 82 -15.372 10.712 -3.503 1.00 10.00 C ATOM 1334 CD2 LEU A 82 -13.365 10.995 -4.939 1.00 10.00 C ATOM 0 H LEU A 82 -10.710 13.240 -1.683 1.00 10.00 H new ATOM 0 HA LEU A 82 -12.119 12.702 -4.083 1.00 10.00 H new ATOM 0 HB2 LEU A 82 -12.998 11.350 -1.634 1.00 10.00 H new ATOM 0 HB3 LEU A 82 -14.230 12.448 -2.223 1.00 10.00 H new ATOM 0 HG LEU A 82 -13.437 9.828 -3.175 1.00 10.00 H new ATOM 0 HD11 LEU A 82 -15.710 9.947 -4.202 1.00 10.00 H new ATOM 0 HD12 LEU A 82 -15.719 10.465 -2.500 1.00 10.00 H new ATOM 0 HD13 LEU A 82 -15.778 11.679 -3.799 1.00 10.00 H new ATOM 0 HD21 LEU A 82 -13.745 10.201 -5.583 1.00 10.00 H new ATOM 0 HD22 LEU A 82 -13.722 11.959 -5.302 1.00 10.00 H new ATOM 0 HD23 LEU A 82 -12.275 10.983 -4.953 1.00 10.00 H new