USER MOD reduce.3.24.130724 H: found=0, std=0, add=561, rem=0, adj=7 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 Set 1.1: A 39 ASN : amide:sc= -0.226 K(o=-0.32,f=-3.3!) USER MOD Set 1.2: A 41 SER OG : rot 170:sc= -0.0939 USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 8 ASN : amide:sc=-0.00164 X(o=-0.0016,f=-0.062) USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 ASN : amide:sc= -0.0781 K(o=-0.078,f=-1.5!) 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= -0.0145 X(o=-0.014,f=-0.25) 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=-0.014) USER MOD Single : A 34 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 36 GLN : amide:sc= 0 X(o=0,f=-0.18) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 THR OG1 : rot 180:sc= 0.00297 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 THR OG1 : rot 84:sc= 1.04 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 137:sc= 1.22 USER MOD ----------------------------------------------------------------- ATOM 40 N ALA A 3 11.590 3.750 4.179 1.00 0.00 N ATOM 41 CA ALA A 3 10.608 3.596 5.235 1.00 0.00 C ATOM 42 C ALA A 3 11.139 4.239 6.510 1.00 0.00 C ATOM 43 O ALA A 3 10.602 5.220 7.020 1.00 0.00 O ATOM 44 CB ALA A 3 10.323 2.111 5.441 1.00 0.00 C ATOM 0 HA ALA A 3 9.675 4.091 4.964 1.00 0.00 H new ATOM 0 HB1 ALA A 3 9.585 1.989 6.234 1.00 0.00 H new ATOM 0 HB2 ALA A 3 9.936 1.683 4.516 1.00 0.00 H new ATOM 0 HB3 ALA A 3 11.244 1.599 5.720 1.00 0.00 H new ATOM 50 N SER A 4 12.148 3.554 7.056 1.00 0.00 N ATOM 51 CA SER A 4 12.258 3.088 8.425 1.00 0.00 C ATOM 52 C SER A 4 10.954 2.469 8.882 1.00 0.00 C ATOM 53 O SER A 4 10.841 1.248 8.938 1.00 0.00 O ATOM 54 CB SER A 4 12.814 4.171 9.344 1.00 0.00 C ATOM 55 OG SER A 4 14.151 4.467 8.971 1.00 0.00 O ATOM 0 H SER A 4 12.966 3.296 6.504 1.00 0.00 H new ATOM 0 HA SER A 4 12.995 2.287 8.476 1.00 0.00 H new ATOM 0 HB2 SER A 4 12.200 5.069 9.279 1.00 0.00 H new ATOM 0 HB3 SER A 4 12.780 3.836 10.381 1.00 0.00 H new ATOM 0 HG SER A 4 14.508 5.164 9.560 1.00 0.00 H new ATOM 61 N GLU A 5 9.964 3.320 9.058 1.00 0.00 N ATOM 62 CA GLU A 5 8.728 3.102 9.812 1.00 0.00 C ATOM 63 C GLU A 5 8.059 1.787 9.385 1.00 0.00 C ATOM 64 O GLU A 5 7.869 0.859 10.165 1.00 0.00 O ATOM 65 CB GLU A 5 7.844 4.363 9.671 1.00 0.00 C ATOM 66 CG GLU A 5 7.325 4.629 8.244 1.00 0.00 C ATOM 67 CD GLU A 5 6.858 6.053 7.939 1.00 0.00 C ATOM 68 OE1 GLU A 5 7.254 7.021 8.638 1.00 0.00 O ATOM 69 OE2 GLU A 5 6.267 6.244 6.857 1.00 0.00 O ATOM 0 H GLU A 5 9.997 4.255 8.651 1.00 0.00 H new ATOM 0 HA GLU A 5 8.924 2.972 10.876 1.00 0.00 H new ATOM 0 HB2 GLU A 5 6.990 4.268 10.342 1.00 0.00 H new ATOM 0 HB3 GLU A 5 8.416 5.230 10.003 1.00 0.00 H new ATOM 0 HG2 GLU A 5 8.117 4.372 7.540 1.00 0.00 H new ATOM 0 HG3 GLU A 5 6.495 3.950 8.051 1.00 0.00 H new ATOM 76 N LEU A 6 7.824 1.669 8.084 1.00 0.00 N ATOM 77 CA LEU A 6 7.152 0.555 7.441 1.00 0.00 C ATOM 78 C LEU A 6 8.000 -0.700 7.438 1.00 0.00 C ATOM 79 O LEU A 6 7.467 -1.782 7.660 1.00 0.00 O ATOM 80 CB LEU A 6 6.832 0.982 5.996 1.00 0.00 C ATOM 81 CG LEU A 6 5.587 1.872 5.899 1.00 0.00 C ATOM 82 CD1 LEU A 6 5.657 2.692 4.604 1.00 0.00 C ATOM 83 CD2 LEU A 6 4.332 1.010 5.987 1.00 0.00 C ATOM 0 H LEU A 6 8.113 2.386 7.418 1.00 0.00 H new ATOM 0 HA LEU A 6 6.244 0.314 7.994 1.00 0.00 H new ATOM 0 HB2 LEU A 6 7.687 1.516 5.582 1.00 0.00 H new ATOM 0 HB3 LEU A 6 6.685 0.092 5.384 1.00 0.00 H new ATOM 0 HG LEU A 6 5.547 2.575 6.731 1.00 0.00 H new ATOM 0 HD11 LEU A 6 4.775 3.328 4.528 1.00 0.00 H new ATOM 0 HD12 LEU A 6 6.552 3.314 4.615 1.00 0.00 H new ATOM 0 HD13 LEU A 6 5.694 2.018 3.748 1.00 0.00 H new ATOM 0 HD21 LEU A 6 3.449 1.645 5.918 1.00 0.00 H new ATOM 0 HD22 LEU A 6 4.327 0.291 5.168 1.00 0.00 H new ATOM 0 HD23 LEU A 6 4.322 0.477 6.938 1.00 0.00 H new ATOM 95 N ARG A 7 9.297 -0.612 7.138 1.00 0.00 N ATOM 96 CA ARG A 7 10.144 -1.785 7.052 1.00 0.00 C ATOM 97 C ARG A 7 10.419 -2.365 8.438 1.00 0.00 C ATOM 98 O ARG A 7 10.803 -3.530 8.558 1.00 0.00 O ATOM 99 CB ARG A 7 11.432 -1.356 6.347 1.00 0.00 C ATOM 100 CG ARG A 7 12.308 -2.566 6.043 1.00 0.00 C ATOM 101 CD ARG A 7 13.440 -2.758 7.063 1.00 0.00 C ATOM 102 NE ARG A 7 13.740 -4.180 7.187 1.00 0.00 N ATOM 103 CZ ARG A 7 14.739 -4.774 7.835 1.00 0.00 C ATOM 104 NH1 ARG A 7 15.713 -4.073 8.408 1.00 0.00 N ATOM 105 NH2 ARG A 7 14.708 -6.096 7.891 1.00 0.00 N ATOM 0 H ARG A 7 9.778 0.268 6.951 1.00 0.00 H new ATOM 0 HA ARG A 7 9.655 -2.578 6.487 1.00 0.00 H new ATOM 0 HB2 ARG A 7 11.189 -0.835 5.421 1.00 0.00 H new ATOM 0 HB3 ARG A 7 11.979 -0.653 6.975 1.00 0.00 H new ATOM 0 HG2 ARG A 7 11.687 -3.462 6.024 1.00 0.00 H new ATOM 0 HG3 ARG A 7 12.738 -2.456 5.048 1.00 0.00 H new ATOM 0 HD2 ARG A 7 14.329 -2.213 6.744 1.00 0.00 H new ATOM 0 HD3 ARG A 7 13.146 -2.351 8.030 1.00 0.00 H new ATOM 0 HE ARG A 7 13.093 -4.808 6.710 1.00 0.00 H new ATOM 0 HH11 ARG A 7 15.706 -3.054 8.357 1.00 0.00 H new ATOM 0 HH12 ARG A 7 16.467 -4.554 8.899 1.00 0.00 H new ATOM 0 HH21 ARG A 7 13.944 -6.607 7.450 1.00 0.00 H new ATOM 0 HH22 ARG A 7 15.449 -6.603 8.375 1.00 0.00 H new ATOM 119 N ASN A 8 10.255 -1.530 9.458 1.00 0.00 N ATOM 120 CA ASN A 8 10.651 -1.814 10.834 1.00 0.00 C ATOM 121 C ASN A 8 9.782 -2.877 11.501 1.00 0.00 C ATOM 122 O ASN A 8 10.135 -3.318 12.595 1.00 0.00 O ATOM 123 CB ASN A 8 10.647 -0.525 11.687 1.00 0.00 C ATOM 124 CG ASN A 8 12.054 -0.097 12.078 1.00 0.00 C ATOM 125 OD1 ASN A 8 12.968 -0.087 11.256 1.00 0.00 O ATOM 126 ND2 ASN A 8 12.280 0.251 13.331 1.00 0.00 N ATOM 0 H ASN A 8 9.830 -0.609 9.348 1.00 0.00 H new ATOM 0 HA ASN A 8 11.664 -2.213 10.779 1.00 0.00 H new ATOM 0 HB2 ASN A 8 10.166 0.278 11.129 1.00 0.00 H new ATOM 0 HB3 ASN A 8 10.054 -0.687 12.587 1.00 0.00 H new ATOM 0 HD21 ASN A 8 13.217 0.530 13.622 1.00 0.00 H new ATOM 0 HD22 ASN A 8 11.518 0.241 14.009 1.00 0.00 H new ATOM 133 N TYR A 9 8.664 -3.285 10.897 1.00 0.00 N ATOM 134 CA TYR A 9 7.721 -4.190 11.534 1.00 0.00 C ATOM 135 C TYR A 9 8.243 -5.643 11.487 1.00 0.00 C ATOM 136 O TYR A 9 9.290 -5.897 10.884 1.00 0.00 O ATOM 137 CB TYR A 9 6.358 -3.923 10.891 1.00 0.00 C ATOM 138 CG TYR A 9 5.628 -2.760 11.524 1.00 0.00 C ATOM 139 CD1 TYR A 9 4.865 -2.929 12.694 1.00 0.00 C ATOM 140 CD2 TYR A 9 5.703 -1.494 10.921 1.00 0.00 C ATOM 141 CE1 TYR A 9 4.059 -1.882 13.170 1.00 0.00 C ATOM 142 CE2 TYR A 9 4.921 -0.436 11.402 1.00 0.00 C ATOM 143 CZ TYR A 9 4.056 -0.639 12.500 1.00 0.00 C ATOM 144 OH TYR A 9 3.213 0.355 12.887 1.00 0.00 O ATOM 0 H TYR A 9 8.393 -2.996 9.957 1.00 0.00 H new ATOM 0 HA TYR A 9 7.605 -4.017 12.604 1.00 0.00 H new ATOM 0 HB2 TYR A 9 6.496 -3.724 9.828 1.00 0.00 H new ATOM 0 HB3 TYR A 9 5.742 -4.819 10.971 1.00 0.00 H new ATOM 0 HD1 TYR A 9 4.899 -3.867 13.228 1.00 0.00 H new ATOM 0 HD2 TYR A 9 6.366 -1.335 10.083 1.00 0.00 H new ATOM 0 HE1 TYR A 9 3.444 -2.027 14.046 1.00 0.00 H new ATOM 0 HE2 TYR A 9 4.980 0.535 10.933 1.00 0.00 H new ATOM 0 HH TYR A 9 3.348 1.140 12.315 1.00 0.00 H new ATOM 154 N THR A 10 7.580 -6.600 12.150 1.00 0.00 N ATOM 155 CA THR A 10 7.881 -8.031 11.999 1.00 0.00 C ATOM 156 C THR A 10 7.097 -8.555 10.796 1.00 0.00 C ATOM 157 O THR A 10 6.095 -7.951 10.469 1.00 0.00 O ATOM 158 CB THR A 10 7.494 -8.810 13.269 1.00 0.00 C ATOM 159 OG1 THR A 10 6.096 -8.952 13.420 1.00 0.00 O ATOM 160 CG2 THR A 10 8.058 -8.197 14.553 1.00 0.00 C ATOM 0 H THR A 10 6.822 -6.405 12.804 1.00 0.00 H new ATOM 0 HA THR A 10 8.951 -8.169 11.844 1.00 0.00 H new ATOM 0 HB THR A 10 7.944 -9.792 13.122 1.00 0.00 H new ATOM 0 HG1 THR A 10 5.905 -9.454 14.239 1.00 0.00 H new ATOM 0 HG21 THR A 10 7.747 -8.796 15.409 1.00 0.00 H new ATOM 0 HG22 THR A 10 9.147 -8.178 14.500 1.00 0.00 H new ATOM 0 HG23 THR A 10 7.683 -7.180 14.666 1.00 0.00 H new ATOM 168 N ASP A 11 7.489 -9.628 10.111 1.00 0.00 N ATOM 169 CA ASP A 11 6.898 -10.144 8.877 1.00 0.00 C ATOM 170 C ASP A 11 5.394 -10.267 8.932 1.00 0.00 C ATOM 171 O ASP A 11 4.748 -10.020 7.915 1.00 0.00 O ATOM 172 CB ASP A 11 7.537 -11.470 8.450 1.00 0.00 C ATOM 173 CG ASP A 11 8.658 -11.201 7.454 1.00 0.00 C ATOM 174 OD1 ASP A 11 8.355 -10.722 6.335 1.00 0.00 O ATOM 175 OD2 ASP A 11 9.846 -11.365 7.819 1.00 0.00 O ATOM 0 H ASP A 11 8.277 -10.196 10.422 1.00 0.00 H new ATOM 0 HA ASP A 11 7.119 -9.394 8.117 1.00 0.00 H new ATOM 0 HB2 ASP A 11 7.930 -11.993 9.322 1.00 0.00 H new ATOM 0 HB3 ASP A 11 6.786 -12.119 8.000 1.00 0.00 H new ATOM 180 N GLU A 12 4.853 -10.585 10.107 1.00 0.00 N ATOM 181 CA GLU A 12 3.423 -10.627 10.319 1.00 0.00 C ATOM 182 C GLU A 12 2.795 -9.236 10.240 1.00 0.00 C ATOM 183 O GLU A 12 1.755 -9.042 9.615 1.00 0.00 O ATOM 184 CB GLU A 12 3.108 -11.256 11.684 1.00 0.00 C ATOM 185 CG GLU A 12 2.855 -12.762 11.604 1.00 0.00 C ATOM 186 CD GLU A 12 4.023 -13.534 10.997 1.00 0.00 C ATOM 187 OE1 GLU A 12 5.059 -13.664 11.684 1.00 0.00 O ATOM 188 OE2 GLU A 12 3.907 -14.002 9.835 1.00 0.00 O ATOM 0 H GLU A 12 5.402 -10.820 10.934 1.00 0.00 H new ATOM 0 HA GLU A 12 2.994 -11.237 9.524 1.00 0.00 H new ATOM 0 HB2 GLU A 12 3.938 -11.068 12.365 1.00 0.00 H new ATOM 0 HB3 GLU A 12 2.231 -10.768 12.109 1.00 0.00 H new ATOM 0 HG2 GLU A 12 2.656 -13.145 12.605 1.00 0.00 H new ATOM 0 HG3 GLU A 12 1.960 -12.943 11.009 1.00 0.00 H new ATOM 195 N GLU A 13 3.421 -8.265 10.892 1.00 0.00 N ATOM 196 CA GLU A 13 3.032 -6.869 10.813 1.00 0.00 C ATOM 197 C GLU A 13 3.341 -6.296 9.418 1.00 0.00 C ATOM 198 O GLU A 13 2.528 -5.545 8.899 1.00 0.00 O ATOM 199 CB GLU A 13 3.760 -6.103 11.918 1.00 0.00 C ATOM 200 CG GLU A 13 3.176 -6.314 13.319 1.00 0.00 C ATOM 201 CD GLU A 13 2.236 -5.188 13.746 1.00 0.00 C ATOM 202 OE1 GLU A 13 1.184 -4.990 13.098 1.00 0.00 O ATOM 203 OE2 GLU A 13 2.499 -4.537 14.787 1.00 0.00 O ATOM 0 H GLU A 13 4.224 -8.431 11.498 1.00 0.00 H new ATOM 0 HA GLU A 13 1.957 -6.768 10.960 1.00 0.00 H new ATOM 0 HB2 GLU A 13 4.807 -6.405 11.924 1.00 0.00 H new ATOM 0 HB3 GLU A 13 3.736 -5.039 11.683 1.00 0.00 H new ATOM 0 HG2 GLU A 13 2.636 -7.260 13.343 1.00 0.00 H new ATOM 0 HG3 GLU A 13 3.991 -6.393 14.039 1.00 0.00 H new ATOM 210 N LEU A 14 4.461 -6.666 8.778 1.00 0.00 N ATOM 211 CA LEU A 14 4.908 -6.167 7.477 1.00 0.00 C ATOM 212 C LEU A 14 3.777 -6.406 6.494 1.00 0.00 C ATOM 213 O LEU A 14 3.240 -5.452 5.932 1.00 0.00 O ATOM 214 CB LEU A 14 6.207 -6.842 6.942 1.00 0.00 C ATOM 215 CG LEU A 14 7.635 -6.299 7.236 1.00 0.00 C ATOM 216 CD1 LEU A 14 7.753 -4.850 7.680 1.00 0.00 C ATOM 217 CD2 LEU A 14 8.506 -7.124 8.159 1.00 0.00 C ATOM 0 H LEU A 14 5.105 -7.351 9.174 1.00 0.00 H new ATOM 0 HA LEU A 14 5.154 -5.111 7.593 1.00 0.00 H new ATOM 0 HB2 LEU A 14 6.189 -7.871 7.300 1.00 0.00 H new ATOM 0 HB3 LEU A 14 6.110 -6.881 5.857 1.00 0.00 H new ATOM 0 HG LEU A 14 8.013 -6.384 6.217 1.00 0.00 H new ATOM 0 HD11 LEU A 14 8.802 -4.606 7.850 1.00 0.00 H new ATOM 0 HD12 LEU A 14 7.349 -4.198 6.905 1.00 0.00 H new ATOM 0 HD13 LEU A 14 7.193 -4.706 8.604 1.00 0.00 H new ATOM 0 HD21 LEU A 14 9.473 -6.635 8.280 1.00 0.00 H new ATOM 0 HD22 LEU A 14 8.021 -7.216 9.131 1.00 0.00 H new ATOM 0 HD23 LEU A 14 8.652 -8.116 7.731 1.00 0.00 H new ATOM 229 N LYS A 15 3.388 -7.666 6.273 1.00 0.00 N ATOM 230 CA LYS A 15 2.303 -7.971 5.360 1.00 0.00 C ATOM 231 C LYS A 15 1.069 -7.209 5.771 1.00 0.00 C ATOM 232 O LYS A 15 0.465 -6.601 4.908 1.00 0.00 O ATOM 233 CB LYS A 15 2.003 -9.478 5.297 1.00 0.00 C ATOM 234 CG LYS A 15 1.623 -10.114 6.650 1.00 0.00 C ATOM 235 CD LYS A 15 1.543 -11.644 6.667 1.00 0.00 C ATOM 236 CE LYS A 15 0.169 -12.170 6.223 1.00 0.00 C ATOM 237 NZ LYS A 15 0.130 -13.647 6.165 1.00 0.00 N ATOM 0 H LYS A 15 3.812 -8.481 6.716 1.00 0.00 H new ATOM 0 HA LYS A 15 2.611 -7.664 4.360 1.00 0.00 H new ATOM 0 HB2 LYS A 15 1.189 -9.644 4.591 1.00 0.00 H new ATOM 0 HB3 LYS A 15 2.878 -9.993 4.901 1.00 0.00 H new ATOM 0 HG2 LYS A 15 2.352 -9.799 7.396 1.00 0.00 H new ATOM 0 HG3 LYS A 15 0.657 -9.715 6.960 1.00 0.00 H new ATOM 0 HD2 LYS A 15 2.313 -12.051 6.012 1.00 0.00 H new ATOM 0 HD3 LYS A 15 1.758 -12.004 7.673 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -0.595 -11.815 6.914 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -0.075 -11.763 5.242 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -0.815 -13.958 5.861 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 0.841 -13.987 5.486 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 0.336 -14.037 7.107 1.00 0.00 H new ATOM 251 N ASN A 16 0.727 -7.126 7.045 1.00 0.00 N ATOM 252 CA ASN A 16 -0.512 -6.474 7.423 1.00 0.00 C ATOM 253 C ASN A 16 -0.506 -4.953 7.175 1.00 0.00 C ATOM 254 O ASN A 16 -1.523 -4.279 7.323 1.00 0.00 O ATOM 255 CB ASN A 16 -0.771 -6.795 8.890 1.00 0.00 C ATOM 256 CG ASN A 16 -2.221 -6.480 9.259 1.00 0.00 C ATOM 257 OD1 ASN A 16 -3.111 -6.537 8.416 1.00 0.00 O ATOM 258 ND2 ASN A 16 -2.511 -6.150 10.504 1.00 0.00 N ATOM 0 H ASN A 16 1.278 -7.494 7.821 1.00 0.00 H new ATOM 0 HA ASN A 16 -1.315 -6.855 6.792 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -0.561 -7.848 9.081 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -0.095 -6.216 9.520 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -3.475 -5.942 10.765 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -1.771 -6.103 11.205 1.00 0.00 H new ATOM 265 N LEU A 17 0.619 -4.382 6.746 1.00 0.00 N ATOM 266 CA LEU A 17 0.661 -3.048 6.145 1.00 0.00 C ATOM 267 C LEU A 17 0.427 -3.200 4.650 1.00 0.00 C ATOM 268 O LEU A 17 -0.377 -2.499 4.041 1.00 0.00 O ATOM 269 CB LEU A 17 2.037 -2.384 6.326 1.00 0.00 C ATOM 270 CG LEU A 17 2.455 -1.827 7.700 1.00 0.00 C ATOM 271 CD1 LEU A 17 1.641 -2.260 8.923 1.00 0.00 C ATOM 272 CD2 LEU A 17 3.929 -2.204 7.879 1.00 0.00 C ATOM 0 H LEU A 17 1.532 -4.833 6.806 1.00 0.00 H new ATOM 0 HA LEU A 17 -0.096 -2.431 6.629 1.00 0.00 H new ATOM 0 HB2 LEU A 17 2.790 -3.115 6.031 1.00 0.00 H new ATOM 0 HB3 LEU A 17 2.095 -1.562 5.613 1.00 0.00 H new ATOM 0 HG LEU A 17 2.263 -0.754 7.672 1.00 0.00 H new ATOM 0 HD11 LEU A 17 2.050 -1.790 9.817 1.00 0.00 H new ATOM 0 HD12 LEU A 17 0.602 -1.955 8.795 1.00 0.00 H new ATOM 0 HD13 LEU A 17 1.690 -3.344 9.028 1.00 0.00 H new ATOM 0 HD21 LEU A 17 4.285 -1.834 8.841 1.00 0.00 H new ATOM 0 HD22 LEU A 17 4.034 -3.288 7.846 1.00 0.00 H new ATOM 0 HD23 LEU A 17 4.519 -1.758 7.078 1.00 0.00 H new ATOM 284 N LEU A 18 1.228 -4.052 4.013 1.00 0.00 N ATOM 285 CA LEU A 18 1.429 -3.964 2.572 1.00 0.00 C ATOM 286 C LEU A 18 0.414 -4.771 1.792 1.00 0.00 C ATOM 287 O LEU A 18 0.148 -4.480 0.629 1.00 0.00 O ATOM 288 CB LEU A 18 2.855 -4.352 2.136 1.00 0.00 C ATOM 289 CG LEU A 18 4.044 -4.145 3.108 1.00 0.00 C ATOM 290 CD1 LEU A 18 4.792 -5.422 3.477 1.00 0.00 C ATOM 291 CD2 LEU A 18 5.107 -3.217 2.532 1.00 0.00 C ATOM 0 H LEU A 18 1.744 -4.805 4.469 1.00 0.00 H new ATOM 0 HA LEU A 18 1.283 -2.910 2.335 1.00 0.00 H new ATOM 0 HB2 LEU A 18 2.836 -5.408 1.867 1.00 0.00 H new ATOM 0 HB3 LEU A 18 3.079 -3.795 1.226 1.00 0.00 H new ATOM 0 HG LEU A 18 3.558 -3.727 3.990 1.00 0.00 H new ATOM 0 HD11 LEU A 18 5.607 -5.182 4.160 1.00 0.00 H new ATOM 0 HD12 LEU A 18 4.107 -6.118 3.960 1.00 0.00 H new ATOM 0 HD13 LEU A 18 5.198 -5.880 2.575 1.00 0.00 H new ATOM 0 HD21 LEU A 18 5.919 -3.104 3.250 1.00 0.00 H new ATOM 0 HD22 LEU A 18 5.497 -3.641 1.607 1.00 0.00 H new ATOM 0 HD23 LEU A 18 4.666 -2.242 2.326 1.00 0.00 H new ATOM 303 N GLU A 19 -0.128 -5.788 2.418 1.00 0.00 N ATOM 304 CA GLU A 19 -1.363 -6.460 2.081 1.00 0.00 C ATOM 305 C GLU A 19 -2.519 -5.482 2.258 1.00 0.00 C ATOM 306 O GLU A 19 -3.246 -5.295 1.290 1.00 0.00 O ATOM 307 CB GLU A 19 -1.457 -7.791 2.869 1.00 0.00 C ATOM 308 CG GLU A 19 -2.443 -7.936 4.035 1.00 0.00 C ATOM 309 CD GLU A 19 -3.791 -8.540 3.612 1.00 0.00 C ATOM 310 OE1 GLU A 19 -4.266 -8.291 2.483 1.00 0.00 O ATOM 311 OE2 GLU A 19 -4.315 -9.359 4.407 1.00 0.00 O ATOM 0 H GLU A 19 0.316 -6.200 3.239 1.00 0.00 H new ATOM 0 HA GLU A 19 -1.406 -6.762 1.035 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -1.692 -8.575 2.149 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -0.462 -8.005 3.260 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -1.996 -8.564 4.805 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -2.615 -6.957 4.482 1.00 0.00 H new ATOM 318 N GLU A 20 -2.620 -4.778 3.395 1.00 0.00 N ATOM 319 CA GLU A 20 -3.756 -3.909 3.693 1.00 0.00 C ATOM 320 C GLU A 20 -3.864 -2.806 2.653 1.00 0.00 C ATOM 321 O GLU A 20 -4.888 -2.638 2.000 1.00 0.00 O ATOM 322 CB GLU A 20 -3.656 -3.328 5.108 1.00 0.00 C ATOM 323 CG GLU A 20 -4.737 -2.280 5.423 1.00 0.00 C ATOM 324 CD GLU A 20 -6.120 -2.869 5.712 1.00 0.00 C ATOM 325 OE1 GLU A 20 -6.783 -3.405 4.801 1.00 0.00 O ATOM 326 OE2 GLU A 20 -6.582 -2.738 6.873 1.00 0.00 O ATOM 0 H GLU A 20 -1.914 -4.799 4.131 1.00 0.00 H new ATOM 0 HA GLU A 20 -4.665 -4.509 3.652 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -3.728 -4.141 5.831 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -2.674 -2.874 5.236 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -4.418 -1.693 6.284 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -4.816 -1.593 4.581 1.00 0.00 H new ATOM 333 N LYS A 21 -2.797 -2.034 2.476 1.00 0.00 N ATOM 334 CA LYS A 21 -2.784 -0.921 1.560 1.00 0.00 C ATOM 335 C LYS A 21 -3.076 -1.480 0.156 1.00 0.00 C ATOM 336 O LYS A 21 -4.011 -1.004 -0.488 1.00 0.00 O ATOM 337 CB LYS A 21 -1.469 -0.149 1.805 1.00 0.00 C ATOM 338 CG LYS A 21 -1.364 0.469 3.220 1.00 0.00 C ATOM 339 CD LYS A 21 -2.318 1.619 3.569 1.00 0.00 C ATOM 340 CE LYS A 21 -1.817 2.952 3.019 1.00 0.00 C ATOM 341 NZ LYS A 21 -2.599 4.078 3.572 1.00 0.00 N ATOM 0 H LYS A 21 -1.916 -2.172 2.972 1.00 0.00 H new ATOM 0 HA LYS A 21 -3.559 -0.167 1.700 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -0.627 -0.824 1.650 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -1.381 0.645 1.064 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -1.520 -0.328 3.947 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -0.343 0.827 3.354 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -3.308 1.407 3.164 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -2.424 1.688 4.652 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -0.763 3.079 3.267 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -1.891 2.952 1.932 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -2.240 4.974 3.184 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -3.600 3.965 3.314 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -2.508 4.088 4.608 1.00 0.00 H new ATOM 355 N LYS A 22 -2.349 -2.506 -0.323 1.00 0.00 N ATOM 356 CA LYS A 22 -2.656 -3.189 -1.590 1.00 0.00 C ATOM 357 C LYS A 22 -4.156 -3.500 -1.722 1.00 0.00 C ATOM 358 O LYS A 22 -4.734 -3.107 -2.740 1.00 0.00 O ATOM 359 CB LYS A 22 -1.800 -4.460 -1.758 1.00 0.00 C ATOM 360 CG LYS A 22 -2.123 -5.299 -3.013 1.00 0.00 C ATOM 361 CD LYS A 22 -1.076 -6.409 -3.197 1.00 0.00 C ATOM 362 CE LYS A 22 -1.192 -7.113 -4.556 1.00 0.00 C ATOM 363 NZ LYS A 22 -0.262 -8.257 -4.671 1.00 0.00 N ATOM 0 H LYS A 22 -1.533 -2.884 0.158 1.00 0.00 H new ATOM 0 HA LYS A 22 -2.399 -2.505 -2.399 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -0.749 -4.171 -1.792 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -1.930 -5.087 -0.876 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -3.116 -5.738 -2.919 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -2.141 -4.657 -3.893 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -0.078 -5.982 -3.098 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -1.188 -7.145 -2.401 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -2.215 -7.462 -4.697 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -0.987 -6.398 -5.353 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -0.374 -8.703 -5.604 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 0.716 -7.921 -4.563 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -0.474 -8.952 -3.927 1.00 0.00 H new ATOM 377 N ARG A 23 -4.771 -4.195 -0.751 1.00 0.00 N ATOM 378 CA ARG A 23 -6.189 -4.530 -0.832 1.00 0.00 C ATOM 379 C ARG A 23 -7.020 -3.279 -0.898 1.00 0.00 C ATOM 380 O ARG A 23 -7.818 -3.193 -1.818 1.00 0.00 O ATOM 381 CB ARG A 23 -6.712 -5.507 0.241 1.00 0.00 C ATOM 382 CG ARG A 23 -6.639 -5.060 1.704 1.00 0.00 C ATOM 383 CD ARG A 23 -7.314 -6.023 2.681 1.00 0.00 C ATOM 384 NE ARG A 23 -8.777 -5.843 2.716 1.00 0.00 N ATOM 385 CZ ARG A 23 -9.514 -5.522 3.790 1.00 0.00 C ATOM 386 NH1 ARG A 23 -8.959 -5.112 4.927 1.00 0.00 N ATOM 387 NH2 ARG A 23 -10.826 -5.619 3.689 1.00 0.00 N ATOM 0 H ARG A 23 -4.305 -4.531 0.092 1.00 0.00 H new ATOM 0 HA ARG A 23 -6.294 -5.092 -1.760 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -7.753 -5.733 0.010 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -6.155 -6.439 0.146 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -5.593 -4.945 1.987 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -7.104 -4.078 1.797 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -7.082 -7.049 2.396 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -6.906 -5.870 3.680 1.00 0.00 H new ATOM 0 HE ARG A 23 -9.278 -5.976 1.837 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -7.945 -5.034 5.000 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -9.548 -4.875 5.726 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -11.249 -5.930 2.814 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -11.418 -5.383 4.486 1.00 0.00 H new ATOM 401 N GLN A 24 -6.824 -2.323 0.004 1.00 0.00 N ATOM 402 CA GLN A 24 -7.590 -1.110 0.083 1.00 0.00 C ATOM 403 C GLN A 24 -7.706 -0.482 -1.288 1.00 0.00 C ATOM 404 O GLN A 24 -8.818 -0.298 -1.740 1.00 0.00 O ATOM 405 CB GLN A 24 -6.963 -0.136 1.078 1.00 0.00 C ATOM 406 CG GLN A 24 -7.443 -0.345 2.524 1.00 0.00 C ATOM 407 CD GLN A 24 -7.845 0.961 3.215 1.00 0.00 C ATOM 408 OE1 GLN A 24 -7.265 2.021 2.982 1.00 0.00 O ATOM 409 NE2 GLN A 24 -8.858 0.902 4.059 1.00 0.00 N ATOM 0 H GLN A 24 -6.100 -2.385 0.719 1.00 0.00 H new ATOM 0 HA GLN A 24 -8.591 -1.351 0.441 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -5.879 -0.242 1.044 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -7.193 0.884 0.771 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -8.294 -1.026 2.524 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -6.651 -0.825 3.098 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -9.323 0.012 4.236 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -9.176 1.747 4.534 1.00 0.00 H new ATOM 418 N LEU A 25 -6.618 -0.198 -2.001 1.00 0.00 N ATOM 419 CA LEU A 25 -6.744 0.422 -3.323 1.00 0.00 C ATOM 420 C LEU A 25 -7.710 -0.357 -4.231 1.00 0.00 C ATOM 421 O LEU A 25 -8.592 0.245 -4.842 1.00 0.00 O ATOM 422 CB LEU A 25 -5.356 0.515 -3.940 1.00 0.00 C ATOM 423 CG LEU A 25 -5.341 1.009 -5.404 1.00 0.00 C ATOM 424 CD1 LEU A 25 -5.447 2.537 -5.417 1.00 0.00 C ATOM 425 CD2 LEU A 25 -4.062 0.593 -6.136 1.00 0.00 C ATOM 0 H LEU A 25 -5.661 -0.381 -1.698 1.00 0.00 H new ATOM 0 HA LEU A 25 -7.169 1.420 -3.215 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -4.747 1.188 -3.336 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -4.885 -0.467 -3.896 1.00 0.00 H new ATOM 0 HG LEU A 25 -6.187 0.555 -5.920 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -5.437 2.894 -6.447 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -6.377 2.841 -4.937 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -4.603 2.965 -4.877 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -4.094 0.961 -7.162 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -3.197 1.016 -5.625 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -3.984 -0.494 -6.143 1.00 0.00 H new ATOM 437 N MET A 26 -7.538 -1.673 -4.333 1.00 0.00 N ATOM 438 CA MET A 26 -8.351 -2.570 -5.108 1.00 0.00 C ATOM 439 C MET A 26 -9.802 -2.682 -4.582 1.00 0.00 C ATOM 440 O MET A 26 -10.727 -2.869 -5.370 1.00 0.00 O ATOM 441 CB MET A 26 -7.580 -3.892 -5.082 1.00 0.00 C ATOM 442 CG MET A 26 -8.313 -4.914 -5.910 1.00 0.00 C ATOM 443 SD MET A 26 -7.434 -6.478 -6.148 1.00 0.00 S ATOM 444 CE MET A 26 -8.654 -7.372 -7.139 1.00 0.00 C ATOM 0 H MET A 26 -6.783 -2.155 -3.846 1.00 0.00 H new ATOM 0 HA MET A 26 -8.501 -2.215 -6.128 1.00 0.00 H new ATOM 0 HB2 MET A 26 -6.573 -3.746 -5.472 1.00 0.00 H new ATOM 0 HB3 MET A 26 -7.476 -4.245 -4.056 1.00 0.00 H new ATOM 0 HG2 MET A 26 -9.273 -5.122 -5.437 1.00 0.00 H new ATOM 0 HG3 MET A 26 -8.527 -4.482 -6.888 1.00 0.00 H new ATOM 0 HE1 MET A 26 -8.272 -8.365 -7.377 1.00 0.00 H new ATOM 0 HE2 MET A 26 -9.582 -7.466 -6.575 1.00 0.00 H new ATOM 0 HE3 MET A 26 -8.844 -6.825 -8.062 1.00 0.00 H new ATOM 454 N GLU A 27 -10.021 -2.543 -3.278 1.00 0.00 N ATOM 455 CA GLU A 27 -11.323 -2.691 -2.613 1.00 0.00 C ATOM 456 C GLU A 27 -12.108 -1.390 -2.719 1.00 0.00 C ATOM 457 O GLU A 27 -13.323 -1.369 -2.873 1.00 0.00 O ATOM 458 CB GLU A 27 -11.122 -2.985 -1.114 1.00 0.00 C ATOM 459 CG GLU A 27 -10.487 -4.348 -0.824 1.00 0.00 C ATOM 460 CD GLU A 27 -11.433 -5.334 -0.126 1.00 0.00 C ATOM 461 OE1 GLU A 27 -12.586 -5.511 -0.591 1.00 0.00 O ATOM 462 OE2 GLU A 27 -11.022 -5.937 0.882 1.00 0.00 O ATOM 0 H GLU A 27 -9.271 -2.315 -2.625 1.00 0.00 H new ATOM 0 HA GLU A 27 -11.859 -3.508 -3.095 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -10.495 -2.205 -0.683 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -12.088 -2.932 -0.612 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -10.147 -4.787 -1.762 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -9.604 -4.202 -0.201 1.00 0.00 H new ATOM 469 N LEU A 28 -11.404 -0.277 -2.626 1.00 0.00 N ATOM 470 CA LEU A 28 -11.912 1.061 -2.763 1.00 0.00 C ATOM 471 C LEU A 28 -12.325 1.297 -4.211 1.00 0.00 C ATOM 472 O LEU A 28 -13.432 1.761 -4.466 1.00 0.00 O ATOM 473 CB LEU A 28 -10.832 2.027 -2.271 1.00 0.00 C ATOM 474 CG LEU A 28 -10.509 1.987 -0.764 1.00 0.00 C ATOM 475 CD1 LEU A 28 -9.294 2.891 -0.565 1.00 0.00 C ATOM 476 CD2 LEU A 28 -11.628 2.386 0.182 1.00 0.00 C ATOM 0 H LEU A 28 -10.401 -0.292 -2.441 1.00 0.00 H new ATOM 0 HA LEU A 28 -12.805 1.225 -2.159 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -9.914 1.822 -2.822 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -11.139 3.041 -2.528 1.00 0.00 H new ATOM 0 HG LEU A 28 -10.330 0.945 -0.499 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -9.018 2.902 0.489 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -8.459 2.513 -1.155 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -9.537 3.904 -0.887 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -11.276 2.317 1.211 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -11.934 3.411 -0.028 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -12.478 1.717 0.043 1.00 0.00 H new ATOM 488 N ARG A 29 -11.507 0.922 -5.193 1.00 0.00 N ATOM 489 CA ARG A 29 -11.961 1.000 -6.591 1.00 0.00 C ATOM 490 C ARG A 29 -13.194 0.118 -6.799 1.00 0.00 C ATOM 491 O ARG A 29 -14.074 0.500 -7.564 1.00 0.00 O ATOM 492 CB ARG A 29 -10.849 0.715 -7.614 1.00 0.00 C ATOM 493 CG ARG A 29 -10.357 -0.733 -7.611 1.00 0.00 C ATOM 494 CD ARG A 29 -9.236 -0.992 -8.617 1.00 0.00 C ATOM 495 NE ARG A 29 -9.737 -1.087 -9.998 1.00 0.00 N ATOM 496 CZ ARG A 29 -8.992 -1.450 -11.047 1.00 0.00 C ATOM 497 NH1 ARG A 29 -7.696 -1.708 -10.904 1.00 0.00 N ATOM 498 NH2 ARG A 29 -9.529 -1.564 -12.253 1.00 0.00 N ATOM 0 H ARG A 29 -10.558 0.572 -5.061 1.00 0.00 H new ATOM 0 HA ARG A 29 -12.248 2.035 -6.780 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -11.215 0.962 -8.611 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -10.005 1.375 -7.412 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -10.005 -0.988 -6.611 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -11.195 -1.395 -7.832 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -8.501 -0.189 -8.554 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -8.722 -1.917 -8.355 1.00 0.00 H new ATOM 0 HE ARG A 29 -10.717 -0.861 -10.166 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -7.259 -1.630 -9.986 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -7.139 -1.984 -11.712 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -10.522 -1.374 -12.389 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -8.950 -1.842 -13.045 1.00 0.00 H new ATOM 512 N PHE A 30 -13.290 -1.009 -6.089 1.00 0.00 N ATOM 513 CA PHE A 30 -14.480 -1.837 -6.101 1.00 0.00 C ATOM 514 C PHE A 30 -15.674 -1.111 -5.454 1.00 0.00 C ATOM 515 O PHE A 30 -16.796 -1.335 -5.909 1.00 0.00 O ATOM 516 CB PHE A 30 -14.176 -3.200 -5.449 1.00 0.00 C ATOM 517 CG PHE A 30 -15.386 -4.102 -5.290 1.00 0.00 C ATOM 518 CD1 PHE A 30 -16.075 -4.568 -6.425 1.00 0.00 C ATOM 519 CD2 PHE A 30 -15.860 -4.435 -4.006 1.00 0.00 C ATOM 520 CE1 PHE A 30 -17.260 -5.309 -6.276 1.00 0.00 C ATOM 521 CE2 PHE A 30 -17.030 -5.201 -3.859 1.00 0.00 C ATOM 522 CZ PHE A 30 -17.739 -5.626 -4.994 1.00 0.00 C ATOM 0 H PHE A 30 -12.542 -1.365 -5.494 1.00 0.00 H new ATOM 0 HA PHE A 30 -14.774 -2.029 -7.133 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -13.428 -3.718 -6.050 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -13.734 -3.029 -4.468 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -15.693 -4.356 -7.412 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -15.323 -4.101 -3.131 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -17.804 -5.636 -7.150 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -17.383 -5.463 -2.873 1.00 0.00 H new ATOM 0 HZ PHE A 30 -18.650 -6.195 -4.882 1.00 0.00 H new ATOM 532 N GLN A 31 -15.492 -0.208 -4.471 1.00 0.00 N ATOM 533 CA GLN A 31 -16.587 0.557 -3.916 1.00 0.00 C ATOM 534 C GLN A 31 -16.999 1.606 -4.926 1.00 0.00 C ATOM 535 O GLN A 31 -18.184 1.827 -5.118 1.00 0.00 O ATOM 536 CB GLN A 31 -16.171 1.253 -2.610 1.00 0.00 C ATOM 537 CG GLN A 31 -16.006 0.315 -1.417 1.00 0.00 C ATOM 538 CD GLN A 31 -16.403 1.022 -0.126 1.00 0.00 C ATOM 539 OE1 GLN A 31 -15.572 1.615 0.560 1.00 0.00 O ATOM 540 NE2 GLN A 31 -17.671 0.969 0.235 1.00 0.00 N ATOM 0 H GLN A 31 -14.585 -0.001 -4.054 1.00 0.00 H new ATOM 0 HA GLN A 31 -17.414 -0.118 -3.695 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -15.230 1.777 -2.776 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -16.917 2.008 -2.362 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -16.622 -0.573 -1.557 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -14.971 -0.022 -1.351 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -18.346 0.473 -0.346 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -17.976 1.424 1.095 1.00 0.00 H new ATOM 549 N LEU A 32 -16.034 2.251 -5.572 1.00 0.00 N ATOM 550 CA LEU A 32 -16.262 3.324 -6.518 1.00 0.00 C ATOM 551 C LEU A 32 -17.113 2.845 -7.678 1.00 0.00 C ATOM 552 O LEU A 32 -18.145 3.420 -7.983 1.00 0.00 O ATOM 553 CB LEU A 32 -14.896 3.789 -7.018 1.00 0.00 C ATOM 554 CG LEU A 32 -14.905 5.102 -7.792 1.00 0.00 C ATOM 555 CD1 LEU A 32 -15.667 5.150 -9.118 1.00 0.00 C ATOM 556 CD2 LEU A 32 -15.361 6.243 -6.872 1.00 0.00 C ATOM 0 H LEU A 32 -15.046 2.032 -5.445 1.00 0.00 H new ATOM 0 HA LEU A 32 -16.797 4.144 -6.039 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -14.229 3.894 -6.162 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -14.476 3.012 -7.656 1.00 0.00 H new ATOM 0 HG LEU A 32 -13.868 5.216 -8.108 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -15.583 6.147 -9.550 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -15.244 4.419 -9.807 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -16.718 4.918 -8.943 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -15.366 7.180 -7.429 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -16.366 6.034 -6.504 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -14.676 6.326 -6.029 1.00 0.00 H new ATOM 568 N ALA A 33 -16.676 1.757 -8.294 1.00 0.00 N ATOM 569 CA ALA A 33 -17.367 1.121 -9.401 1.00 0.00 C ATOM 570 C ALA A 33 -18.737 0.569 -8.978 1.00 0.00 C ATOM 571 O ALA A 33 -19.546 0.242 -9.848 1.00 0.00 O ATOM 572 CB ALA A 33 -16.465 0.035 -9.996 1.00 0.00 C ATOM 0 H ALA A 33 -15.812 1.283 -8.031 1.00 0.00 H new ATOM 0 HA ALA A 33 -17.572 1.866 -10.169 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -16.977 -0.448 -10.828 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -15.539 0.486 -10.352 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -16.236 -0.707 -9.231 1.00 0.00 H new ATOM 578 N MET A 34 -19.030 0.447 -7.676 1.00 0.00 N ATOM 579 CA MET A 34 -20.356 0.170 -7.162 1.00 0.00 C ATOM 580 C MET A 34 -21.102 1.440 -6.714 1.00 0.00 C ATOM 581 O MET A 34 -22.294 1.372 -6.434 1.00 0.00 O ATOM 582 CB MET A 34 -20.220 -0.845 -6.021 1.00 0.00 C ATOM 583 CG MET A 34 -20.076 -2.277 -6.551 1.00 0.00 C ATOM 584 SD MET A 34 -21.446 -3.397 -6.157 1.00 0.00 S ATOM 585 CE MET A 34 -21.052 -4.733 -7.319 1.00 0.00 C ATOM 0 H MET A 34 -18.327 0.542 -6.943 1.00 0.00 H new ATOM 0 HA MET A 34 -20.967 -0.247 -7.963 1.00 0.00 H new ATOM 0 HB2 MET A 34 -19.352 -0.593 -5.411 1.00 0.00 H new ATOM 0 HB3 MET A 34 -21.094 -0.783 -5.372 1.00 0.00 H new ATOM 0 HG2 MET A 34 -19.964 -2.235 -7.634 1.00 0.00 H new ATOM 0 HG3 MET A 34 -19.155 -2.703 -6.152 1.00 0.00 H new ATOM 0 HE1 MET A 34 -21.793 -5.527 -7.225 1.00 0.00 H new ATOM 0 HE2 MET A 34 -21.063 -4.345 -8.337 1.00 0.00 H new ATOM 0 HE3 MET A 34 -20.063 -5.131 -7.094 1.00 0.00 H new ATOM 595 N GLY A 35 -20.428 2.585 -6.640 1.00 0.00 N ATOM 596 CA GLY A 35 -20.938 3.906 -6.333 1.00 0.00 C ATOM 597 C GLY A 35 -21.043 4.132 -4.832 1.00 0.00 C ATOM 598 O GLY A 35 -21.991 4.764 -4.371 1.00 0.00 O ATOM 0 H GLY A 35 -19.422 2.607 -6.809 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -20.283 4.660 -6.770 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -21.919 4.033 -6.790 1.00 0.00 H new ATOM 602 N GLN A 36 -20.085 3.598 -4.069 1.00 0.00 N ATOM 603 CA GLN A 36 -20.147 3.510 -2.612 1.00 0.00 C ATOM 604 C GLN A 36 -18.991 4.294 -1.976 1.00 0.00 C ATOM 605 O GLN A 36 -19.027 4.683 -0.806 1.00 0.00 O ATOM 606 CB GLN A 36 -20.089 2.036 -2.160 1.00 0.00 C ATOM 607 CG GLN A 36 -20.839 1.031 -3.045 1.00 0.00 C ATOM 608 CD GLN A 36 -22.342 1.001 -2.790 1.00 0.00 C ATOM 609 OE1 GLN A 36 -23.045 1.996 -2.947 1.00 0.00 O ATOM 610 NE2 GLN A 36 -22.886 -0.144 -2.418 1.00 0.00 N ATOM 0 H GLN A 36 -19.227 3.207 -4.458 1.00 0.00 H new ATOM 0 HA GLN A 36 -21.091 3.945 -2.284 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -19.043 1.734 -2.107 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -20.491 1.971 -1.149 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -20.661 1.277 -4.092 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -20.430 0.035 -2.877 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -22.300 -0.969 -2.288 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -23.892 -0.203 -2.260 1.00 0.00 H new ATOM 619 N LEU A 37 -17.925 4.483 -2.757 1.00 0.00 N ATOM 620 CA LEU A 37 -16.796 5.332 -2.408 1.00 0.00 C ATOM 621 C LEU A 37 -17.210 6.798 -2.540 1.00 0.00 C ATOM 622 O LEU A 37 -17.870 7.147 -3.513 1.00 0.00 O ATOM 623 CB LEU A 37 -15.615 4.980 -3.316 1.00 0.00 C ATOM 624 CG LEU A 37 -14.267 5.421 -2.728 1.00 0.00 C ATOM 625 CD1 LEU A 37 -13.129 4.615 -3.320 1.00 0.00 C ATOM 626 CD2 LEU A 37 -13.948 6.909 -2.908 1.00 0.00 C ATOM 0 H LEU A 37 -17.826 4.038 -3.669 1.00 0.00 H new ATOM 0 HA LEU A 37 -16.487 5.169 -1.376 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -15.599 3.903 -3.484 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -15.755 5.453 -4.288 1.00 0.00 H new ATOM 0 HG LEU A 37 -14.365 5.239 -1.658 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -12.185 4.946 -2.887 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -13.278 3.558 -3.099 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -13.104 4.760 -4.400 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -12.978 7.130 -2.463 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -13.922 7.150 -3.971 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -14.716 7.508 -2.419 1.00 0.00 H new ATOM 638 N LYS A 38 -16.763 7.660 -1.621 1.00 0.00 N ATOM 639 CA LYS A 38 -16.969 9.111 -1.670 1.00 0.00 C ATOM 640 C LYS A 38 -16.601 9.681 -3.045 1.00 0.00 C ATOM 641 O LYS A 38 -17.476 10.004 -3.844 1.00 0.00 O ATOM 642 CB LYS A 38 -16.167 9.826 -0.559 1.00 0.00 C ATOM 643 CG LYS A 38 -16.786 9.796 0.842 1.00 0.00 C ATOM 644 CD LYS A 38 -16.848 8.411 1.492 1.00 0.00 C ATOM 645 CE LYS A 38 -17.309 8.622 2.934 1.00 0.00 C ATOM 646 NZ LYS A 38 -17.672 7.361 3.602 1.00 0.00 N ATOM 0 H LYS A 38 -16.235 7.360 -0.802 1.00 0.00 H new ATOM 0 HA LYS A 38 -18.030 9.294 -1.500 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -15.176 9.375 -0.506 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -16.028 10.867 -0.851 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -16.214 10.460 1.490 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -17.797 10.200 0.785 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -17.541 7.762 0.955 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -15.872 7.927 1.465 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -16.515 9.112 3.497 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -18.167 9.294 2.943 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -17.977 7.560 4.576 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -18.448 6.904 3.082 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -16.847 6.728 3.620 1.00 0.00 H new ATOM 660 N ASN A 39 -15.304 9.844 -3.300 1.00 0.00 N ATOM 661 CA ASN A 39 -14.757 10.577 -4.432 1.00 0.00 C ATOM 662 C ASN A 39 -13.403 9.958 -4.763 1.00 0.00 C ATOM 663 O ASN A 39 -12.651 9.617 -3.845 1.00 0.00 O ATOM 664 CB ASN A 39 -14.608 12.048 -4.011 1.00 0.00 C ATOM 665 CG ASN A 39 -13.990 12.962 -5.060 1.00 0.00 C ATOM 666 OD1 ASN A 39 -13.714 12.594 -6.201 1.00 0.00 O ATOM 667 ND2 ASN A 39 -13.722 14.195 -4.686 1.00 0.00 N ATOM 0 H ASN A 39 -14.580 9.452 -2.698 1.00 0.00 H new ATOM 0 HA ASN A 39 -15.399 10.527 -5.312 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -15.592 12.436 -3.749 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -13.997 12.091 -3.109 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -13.286 14.844 -5.342 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -13.950 14.502 -3.740 1.00 0.00 H new ATOM 674 N THR A 40 -13.050 9.819 -6.040 1.00 0.00 N ATOM 675 CA THR A 40 -11.769 9.264 -6.478 1.00 0.00 C ATOM 676 C THR A 40 -10.541 10.004 -5.924 1.00 0.00 C ATOM 677 O THR A 40 -9.444 9.442 -5.926 1.00 0.00 O ATOM 678 CB THR A 40 -11.724 9.201 -8.012 1.00 0.00 C ATOM 679 OG1 THR A 40 -12.122 10.431 -8.594 1.00 0.00 O ATOM 680 CG2 THR A 40 -12.657 8.103 -8.534 1.00 0.00 C ATOM 0 H THR A 40 -13.656 10.093 -6.813 1.00 0.00 H new ATOM 0 HA THR A 40 -11.711 8.258 -6.062 1.00 0.00 H new ATOM 0 HB THR A 40 -10.692 8.985 -8.290 1.00 0.00 H new ATOM 0 HG1 THR A 40 -12.081 10.359 -9.571 1.00 0.00 H new ATOM 0 HG21 THR A 40 -12.611 8.074 -9.623 1.00 0.00 H new ATOM 0 HG22 THR A 40 -12.345 7.139 -8.132 1.00 0.00 H new ATOM 0 HG23 THR A 40 -13.679 8.314 -8.219 1.00 0.00 H new ATOM 688 N SER A 41 -10.701 11.216 -5.394 1.00 0.00 N ATOM 689 CA SER A 41 -9.671 11.934 -4.655 1.00 0.00 C ATOM 690 C SER A 41 -9.136 11.106 -3.473 1.00 0.00 C ATOM 691 O SER A 41 -7.945 11.169 -3.154 1.00 0.00 O ATOM 692 CB SER A 41 -10.286 13.262 -4.199 1.00 0.00 C ATOM 693 OG SER A 41 -11.430 13.020 -3.406 1.00 0.00 O ATOM 0 H SER A 41 -11.575 11.737 -5.470 1.00 0.00 H new ATOM 0 HA SER A 41 -8.805 12.121 -5.290 1.00 0.00 H new ATOM 0 HB2 SER A 41 -9.554 13.834 -3.630 1.00 0.00 H new ATOM 0 HB3 SER A 41 -10.556 13.864 -5.067 1.00 0.00 H new ATOM 0 HG SER A 41 -11.721 13.857 -2.988 1.00 0.00 H new ATOM 699 N LEU A 42 -9.987 10.302 -2.826 1.00 0.00 N ATOM 700 CA LEU A 42 -9.609 9.411 -1.740 1.00 0.00 C ATOM 701 C LEU A 42 -8.725 8.303 -2.282 1.00 0.00 C ATOM 702 O LEU A 42 -7.678 8.003 -1.705 1.00 0.00 O ATOM 703 CB LEU A 42 -10.888 8.852 -1.089 1.00 0.00 C ATOM 704 CG LEU A 42 -10.622 7.839 0.040 1.00 0.00 C ATOM 705 CD1 LEU A 42 -11.736 7.931 1.085 1.00 0.00 C ATOM 706 CD2 LEU A 42 -10.537 6.377 -0.422 1.00 0.00 C ATOM 0 H LEU A 42 -10.980 10.257 -3.054 1.00 0.00 H new ATOM 0 HA LEU A 42 -9.042 9.948 -0.979 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -11.473 9.681 -0.690 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -11.496 8.374 -1.857 1.00 0.00 H new ATOM 0 HG LEU A 42 -9.647 8.109 0.445 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -11.546 7.213 1.883 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -11.762 8.938 1.501 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -12.694 7.707 0.616 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -10.348 5.734 0.438 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -11.478 6.088 -0.891 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -9.725 6.269 -1.141 1.00 0.00 H new ATOM 718 N ILE A 43 -9.128 7.702 -3.405 1.00 0.00 N ATOM 719 CA ILE A 43 -8.316 6.712 -4.091 1.00 0.00 C ATOM 720 C ILE A 43 -6.962 7.334 -4.430 1.00 0.00 C ATOM 721 O ILE A 43 -5.963 6.675 -4.189 1.00 0.00 O ATOM 722 CB ILE A 43 -9.055 6.119 -5.316 1.00 0.00 C ATOM 723 CG1 ILE A 43 -9.798 4.808 -4.980 1.00 0.00 C ATOM 724 CG2 ILE A 43 -8.111 5.930 -6.514 1.00 0.00 C ATOM 725 CD1 ILE A 43 -8.919 3.565 -4.822 1.00 0.00 C ATOM 0 H ILE A 43 -10.023 7.892 -3.857 1.00 0.00 H new ATOM 0 HA ILE A 43 -8.134 5.859 -3.437 1.00 0.00 H new ATOM 0 HB ILE A 43 -9.812 6.850 -5.600 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -10.355 4.955 -4.055 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -10.529 4.615 -5.765 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -8.667 5.512 -7.353 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -7.690 6.894 -6.801 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -7.305 5.250 -6.238 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -9.545 2.704 -4.587 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -8.381 3.380 -5.751 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -8.204 3.725 -4.015 1.00 0.00 H new ATOM 737 N LYS A 44 -6.876 8.565 -4.952 1.00 0.00 N ATOM 738 CA LYS A 44 -5.605 9.170 -5.340 1.00 0.00 C ATOM 739 C LYS A 44 -4.636 9.180 -4.168 1.00 0.00 C ATOM 740 O LYS A 44 -3.465 8.829 -4.317 1.00 0.00 O ATOM 741 CB LYS A 44 -5.865 10.589 -5.874 1.00 0.00 C ATOM 742 CG LYS A 44 -4.580 11.311 -6.296 1.00 0.00 C ATOM 743 CD LYS A 44 -3.843 12.042 -5.153 1.00 0.00 C ATOM 744 CE LYS A 44 -2.357 11.673 -5.046 1.00 0.00 C ATOM 745 NZ LYS A 44 -1.552 12.246 -6.150 1.00 0.00 N ATOM 0 H LYS A 44 -7.686 9.164 -5.115 1.00 0.00 H new ATOM 0 HA LYS A 44 -5.143 8.579 -6.131 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -6.541 10.533 -6.727 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -6.369 11.175 -5.105 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -3.901 10.584 -6.741 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -4.825 12.035 -7.073 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -3.932 13.118 -5.304 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -4.335 11.811 -4.208 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -1.965 12.027 -4.093 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -2.254 10.588 -5.050 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -0.556 11.969 -6.034 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -1.907 11.889 -7.060 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -1.627 13.283 -6.132 1.00 0.00 H new ATOM 759 N LEU A 45 -5.114 9.609 -3.004 1.00 0.00 N ATOM 760 CA LEU A 45 -4.322 9.719 -1.814 1.00 0.00 C ATOM 761 C LEU A 45 -3.902 8.335 -1.368 1.00 0.00 C ATOM 762 O LEU A 45 -2.744 8.122 -1.039 1.00 0.00 O ATOM 763 CB LEU A 45 -5.155 10.404 -0.753 1.00 0.00 C ATOM 764 CG LEU A 45 -5.116 11.934 -0.828 1.00 0.00 C ATOM 765 CD1 LEU A 45 -5.776 12.455 0.436 1.00 0.00 C ATOM 766 CD2 LEU A 45 -3.699 12.516 -0.867 1.00 0.00 C ATOM 0 H LEU A 45 -6.085 9.892 -2.874 1.00 0.00 H new ATOM 0 HA LEU A 45 -3.422 10.306 -1.995 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -6.189 10.071 -0.845 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -4.805 10.089 0.230 1.00 0.00 H new ATOM 0 HG LEU A 45 -5.616 12.231 -1.750 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -5.771 13.545 0.426 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -6.805 12.097 0.483 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -5.227 12.097 1.307 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -3.754 13.603 -0.920 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -3.160 12.223 0.034 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -3.174 12.136 -1.743 1.00 0.00 H new ATOM 778 N THR A 46 -4.818 7.379 -1.437 1.00 0.00 N ATOM 779 CA THR A 46 -4.536 6.018 -1.052 1.00 0.00 C ATOM 780 C THR A 46 -3.465 5.477 -2.006 1.00 0.00 C ATOM 781 O THR A 46 -2.423 5.025 -1.556 1.00 0.00 O ATOM 782 CB THR A 46 -5.897 5.301 -1.045 1.00 0.00 C ATOM 783 OG1 THR A 46 -6.746 5.933 -0.095 1.00 0.00 O ATOM 784 CG2 THR A 46 -5.806 3.824 -0.718 1.00 0.00 C ATOM 0 H THR A 46 -5.773 7.532 -1.762 1.00 0.00 H new ATOM 0 HA THR A 46 -4.108 5.878 -0.059 1.00 0.00 H new ATOM 0 HB THR A 46 -6.297 5.375 -2.056 1.00 0.00 H new ATOM 0 HG1 THR A 46 -7.172 6.714 -0.506 1.00 0.00 H new ATOM 0 HG21 THR A 46 -6.804 3.386 -0.732 1.00 0.00 H new ATOM 0 HG22 THR A 46 -5.181 3.325 -1.459 1.00 0.00 H new ATOM 0 HG23 THR A 46 -5.368 3.697 0.272 1.00 0.00 H new ATOM 792 N LYS A 47 -3.626 5.623 -3.321 1.00 0.00 N ATOM 793 CA LYS A 47 -2.725 5.169 -4.372 1.00 0.00 C ATOM 794 C LYS A 47 -1.305 5.671 -4.190 1.00 0.00 C ATOM 795 O LYS A 47 -0.392 4.873 -4.385 1.00 0.00 O ATOM 796 CB LYS A 47 -3.291 5.626 -5.736 1.00 0.00 C ATOM 797 CG LYS A 47 -2.463 5.214 -6.964 1.00 0.00 C ATOM 798 CD LYS A 47 -2.558 3.705 -7.211 1.00 0.00 C ATOM 799 CE LYS A 47 -1.628 3.204 -8.320 1.00 0.00 C ATOM 800 NZ LYS A 47 -1.952 3.742 -9.655 1.00 0.00 N ATOM 0 H LYS A 47 -4.446 6.094 -3.703 1.00 0.00 H new ATOM 0 HA LYS A 47 -2.669 4.081 -4.324 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -4.298 5.223 -5.846 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -3.381 6.712 -5.727 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -2.817 5.753 -7.843 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -1.421 5.497 -6.815 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -2.323 3.179 -6.286 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -3.586 3.452 -7.469 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -0.602 3.472 -8.070 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -1.674 2.116 -8.356 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -1.283 3.361 -10.354 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -2.920 3.465 -9.915 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -1.881 4.779 -9.638 1.00 0.00 H new ATOM 814 N ARG A 48 -1.090 6.942 -3.836 1.00 0.00 N ATOM 815 CA ARG A 48 0.266 7.464 -3.618 1.00 0.00 C ATOM 816 C ARG A 48 0.994 6.643 -2.572 1.00 0.00 C ATOM 817 O ARG A 48 2.188 6.378 -2.695 1.00 0.00 O ATOM 818 CB ARG A 48 0.197 8.961 -3.254 1.00 0.00 C ATOM 819 CG ARG A 48 0.127 9.324 -1.755 1.00 0.00 C ATOM 820 CD ARG A 48 -0.483 10.704 -1.477 1.00 0.00 C ATOM 821 NE ARG A 48 0.555 11.735 -1.423 1.00 0.00 N ATOM 822 CZ ARG A 48 0.495 12.861 -0.708 1.00 0.00 C ATOM 823 NH1 ARG A 48 -0.663 13.399 -0.329 1.00 0.00 N ATOM 824 NH2 ARG A 48 1.640 13.425 -0.369 1.00 0.00 N ATOM 0 H ARG A 48 -1.833 7.627 -3.694 1.00 0.00 H new ATOM 0 HA ARG A 48 0.843 7.377 -4.539 1.00 0.00 H new ATOM 0 HB2 ARG A 48 1.072 9.452 -3.679 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -0.678 9.387 -3.745 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -0.460 8.567 -1.235 1.00 0.00 H new ATOM 0 HG3 ARG A 48 1.133 9.291 -1.336 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -1.205 10.950 -2.256 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -1.028 10.681 -0.533 1.00 0.00 H new ATOM 0 HE ARG A 48 1.396 11.580 -1.979 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -1.542 12.949 -0.585 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -0.671 14.261 0.217 1.00 0.00 H new ATOM 0 HH21 ARG A 48 2.522 12.999 -0.653 1.00 0.00 H new ATOM 0 HH22 ARG A 48 1.642 14.286 0.177 1.00 0.00 H new ATOM 838 N ASP A 49 0.255 6.214 -1.560 1.00 0.00 N ATOM 839 CA ASP A 49 0.797 5.506 -0.431 1.00 0.00 C ATOM 840 C ASP A 49 0.725 4.019 -0.679 1.00 0.00 C ATOM 841 O ASP A 49 1.622 3.325 -0.235 1.00 0.00 O ATOM 842 CB ASP A 49 0.090 5.960 0.848 1.00 0.00 C ATOM 843 CG ASP A 49 0.887 7.061 1.573 1.00 0.00 C ATOM 844 OD1 ASP A 49 1.823 7.664 0.974 1.00 0.00 O ATOM 845 OD2 ASP A 49 0.591 7.319 2.754 1.00 0.00 O ATOM 0 H ASP A 49 -0.754 6.355 -1.508 1.00 0.00 H new ATOM 0 HA ASP A 49 1.853 5.740 -0.296 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -0.905 6.331 0.603 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -0.043 5.107 1.514 1.00 0.00 H new ATOM 850 N ILE A 50 -0.198 3.507 -1.493 1.00 0.00 N ATOM 851 CA ILE A 50 -0.118 2.114 -1.930 1.00 0.00 C ATOM 852 C ILE A 50 1.162 1.976 -2.704 1.00 0.00 C ATOM 853 O ILE A 50 1.987 1.154 -2.357 1.00 0.00 O ATOM 854 CB ILE A 50 -1.344 1.622 -2.731 1.00 0.00 C ATOM 855 CG1 ILE A 50 -2.313 0.993 -1.738 1.00 0.00 C ATOM 856 CG2 ILE A 50 -1.048 0.504 -3.748 1.00 0.00 C ATOM 857 CD1 ILE A 50 -3.011 2.022 -0.869 1.00 0.00 C ATOM 0 H ILE A 50 -0.997 4.026 -1.858 1.00 0.00 H new ATOM 0 HA ILE A 50 -0.123 1.467 -1.053 1.00 0.00 H new ATOM 0 HB ILE A 50 -1.715 2.492 -3.272 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -3.061 0.416 -2.282 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -1.771 0.293 -1.101 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -1.969 0.225 -4.261 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -0.320 0.859 -4.477 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -0.646 -0.365 -3.227 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -3.689 1.517 -0.181 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -2.268 2.582 -0.301 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -3.578 2.707 -1.500 1.00 0.00 H new ATOM 869 N ALA A 51 1.387 2.810 -3.703 1.00 0.00 N ATOM 870 CA ALA A 51 2.566 2.701 -4.522 1.00 0.00 C ATOM 871 C ALA A 51 3.840 3.080 -3.746 1.00 0.00 C ATOM 872 O ALA A 51 4.933 2.957 -4.299 1.00 0.00 O ATOM 873 CB ALA A 51 2.340 3.576 -5.755 1.00 0.00 C ATOM 0 H ALA A 51 0.761 3.572 -3.962 1.00 0.00 H new ATOM 0 HA ALA A 51 2.727 1.668 -4.830 1.00 0.00 H new ATOM 0 HB1 ALA A 51 3.213 3.522 -6.405 1.00 0.00 H new ATOM 0 HB2 ALA A 51 1.463 3.222 -6.296 1.00 0.00 H new ATOM 0 HB3 ALA A 51 2.183 4.609 -5.444 1.00 0.00 H new ATOM 879 N ARG A 52 3.735 3.501 -2.478 1.00 0.00 N ATOM 880 CA ARG A 52 4.824 3.519 -1.503 1.00 0.00 C ATOM 881 C ARG A 52 4.893 2.201 -0.720 1.00 0.00 C ATOM 882 O ARG A 52 5.889 1.497 -0.848 1.00 0.00 O ATOM 883 CB ARG A 52 4.682 4.771 -0.619 1.00 0.00 C ATOM 884 CG ARG A 52 5.928 5.109 0.213 1.00 0.00 C ATOM 885 CD ARG A 52 5.893 4.509 1.631 1.00 0.00 C ATOM 886 NE ARG A 52 6.174 5.520 2.673 1.00 0.00 N ATOM 887 CZ ARG A 52 5.441 6.600 2.988 1.00 0.00 C ATOM 888 NH1 ARG A 52 4.258 6.832 2.432 1.00 0.00 N ATOM 889 NH2 ARG A 52 5.917 7.471 3.862 1.00 0.00 N ATOM 0 H ARG A 52 2.857 3.850 -2.094 1.00 0.00 H new ATOM 0 HA ARG A 52 5.786 3.589 -2.010 1.00 0.00 H new ATOM 0 HB2 ARG A 52 4.443 5.624 -1.255 1.00 0.00 H new ATOM 0 HB3 ARG A 52 3.838 4.630 0.056 1.00 0.00 H new ATOM 0 HG2 ARG A 52 6.814 4.744 -0.307 1.00 0.00 H new ATOM 0 HG3 ARG A 52 6.025 6.192 0.286 1.00 0.00 H new ATOM 0 HD2 ARG A 52 4.914 4.066 1.812 1.00 0.00 H new ATOM 0 HD3 ARG A 52 6.625 3.704 1.701 1.00 0.00 H new ATOM 0 HE ARG A 52 7.026 5.380 3.217 1.00 0.00 H new ATOM 0 HH11 ARG A 52 3.881 6.180 1.744 1.00 0.00 H new ATOM 0 HH12 ARG A 52 3.726 7.662 2.693 1.00 0.00 H new ATOM 0 HH21 ARG A 52 6.831 7.318 4.288 1.00 0.00 H new ATOM 0 HH22 ARG A 52 5.370 8.296 4.110 1.00 0.00 H new ATOM 903 N ILE A 53 3.880 1.831 0.071 1.00 0.00 N ATOM 904 CA ILE A 53 3.859 0.597 0.849 1.00 0.00 C ATOM 905 C ILE A 53 4.034 -0.615 -0.053 1.00 0.00 C ATOM 906 O ILE A 53 4.943 -1.403 0.166 1.00 0.00 O ATOM 907 CB ILE A 53 2.591 0.550 1.734 1.00 0.00 C ATOM 908 CG1 ILE A 53 2.623 1.579 2.888 1.00 0.00 C ATOM 909 CG2 ILE A 53 2.466 -0.802 2.437 1.00 0.00 C ATOM 910 CD1 ILE A 53 1.971 2.928 2.638 1.00 0.00 C ATOM 0 H ILE A 53 3.038 2.395 0.187 1.00 0.00 H new ATOM 0 HA ILE A 53 4.709 0.574 1.531 1.00 0.00 H new ATOM 0 HB ILE A 53 1.769 0.754 1.047 1.00 0.00 H new ATOM 0 HG12 ILE A 53 2.142 1.128 3.756 1.00 0.00 H new ATOM 0 HG13 ILE A 53 3.665 1.753 3.156 1.00 0.00 H new ATOM 0 HG21 ILE A 53 1.567 -0.810 3.053 1.00 0.00 H new ATOM 0 HG22 ILE A 53 2.402 -1.595 1.692 1.00 0.00 H new ATOM 0 HG23 ILE A 53 3.340 -0.966 3.068 1.00 0.00 H new ATOM 0 HD11 ILE A 53 2.067 3.549 3.529 1.00 0.00 H new ATOM 0 HD12 ILE A 53 2.462 3.420 1.798 1.00 0.00 H new ATOM 0 HD13 ILE A 53 0.915 2.785 2.407 1.00 0.00 H new ATOM 922 N LYS A 54 3.213 -0.802 -1.074 1.00 0.00 N ATOM 923 CA LYS A 54 3.285 -1.987 -1.911 1.00 0.00 C ATOM 924 C LYS A 54 4.670 -2.110 -2.557 1.00 0.00 C ATOM 925 O LYS A 54 5.168 -3.219 -2.761 1.00 0.00 O ATOM 926 CB LYS A 54 2.092 -2.011 -2.901 1.00 0.00 C ATOM 927 CG LYS A 54 2.311 -1.218 -4.207 1.00 0.00 C ATOM 928 CD LYS A 54 2.998 -2.044 -5.304 1.00 0.00 C ATOM 929 CE LYS A 54 2.800 -1.376 -6.670 1.00 0.00 C ATOM 930 NZ LYS A 54 3.167 -2.265 -7.790 1.00 0.00 N ATOM 0 H LYS A 54 2.484 -0.142 -1.344 1.00 0.00 H new ATOM 0 HA LYS A 54 3.180 -2.888 -1.306 1.00 0.00 H new ATOM 0 HB2 LYS A 54 1.872 -3.048 -3.156 1.00 0.00 H new ATOM 0 HB3 LYS A 54 1.212 -1.613 -2.396 1.00 0.00 H new ATOM 0 HG2 LYS A 54 1.348 -0.864 -4.576 1.00 0.00 H new ATOM 0 HG3 LYS A 54 2.914 -0.336 -3.993 1.00 0.00 H new ATOM 0 HD2 LYS A 54 4.062 -2.137 -5.087 1.00 0.00 H new ATOM 0 HD3 LYS A 54 2.587 -3.053 -5.321 1.00 0.00 H new ATOM 0 HE2 LYS A 54 1.758 -1.074 -6.776 1.00 0.00 H new ATOM 0 HE3 LYS A 54 3.402 -0.468 -6.718 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 3.016 -1.768 -8.691 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 4.168 -2.534 -7.706 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 2.576 -3.120 -7.763 1.00 0.00 H new ATOM 944 N THR A 55 5.300 -0.972 -2.837 1.00 0.00 N ATOM 945 CA THR A 55 6.651 -0.873 -3.339 1.00 0.00 C ATOM 946 C THR A 55 7.684 -1.278 -2.279 1.00 0.00 C ATOM 947 O THR A 55 8.686 -1.848 -2.673 1.00 0.00 O ATOM 948 CB THR A 55 6.827 0.544 -3.884 1.00 0.00 C ATOM 949 OG1 THR A 55 6.074 0.664 -5.078 1.00 0.00 O ATOM 950 CG2 THR A 55 8.265 1.000 -4.131 1.00 0.00 C ATOM 0 H THR A 55 4.858 -0.061 -2.712 1.00 0.00 H new ATOM 0 HA THR A 55 6.826 -1.580 -4.150 1.00 0.00 H new ATOM 0 HB THR A 55 6.469 1.206 -3.096 1.00 0.00 H new ATOM 0 HG1 THR A 55 5.605 1.525 -5.084 1.00 0.00 H new ATOM 0 HG21 THR A 55 8.262 2.020 -4.516 1.00 0.00 H new ATOM 0 HG22 THR A 55 8.823 0.967 -3.195 1.00 0.00 H new ATOM 0 HG23 THR A 55 8.737 0.339 -4.858 1.00 0.00 H new ATOM 958 N ILE A 56 7.477 -1.100 -0.969 1.00 0.00 N ATOM 959 CA ILE A 56 8.386 -1.651 0.052 1.00 0.00 C ATOM 960 C ILE A 56 8.466 -3.170 -0.126 1.00 0.00 C ATOM 961 O ILE A 56 9.555 -3.733 -0.124 1.00 0.00 O ATOM 962 CB ILE A 56 7.953 -1.269 1.480 1.00 0.00 C ATOM 963 CG1 ILE A 56 8.129 0.243 1.705 1.00 0.00 C ATOM 964 CG2 ILE A 56 8.642 -2.100 2.585 1.00 0.00 C ATOM 965 CD1 ILE A 56 9.498 0.685 2.226 1.00 0.00 C ATOM 0 H ILE A 56 6.688 -0.579 -0.587 1.00 0.00 H new ATOM 0 HA ILE A 56 9.377 -1.218 -0.086 1.00 0.00 H new ATOM 0 HB ILE A 56 6.895 -1.516 1.562 1.00 0.00 H new ATOM 0 HG12 ILE A 56 7.937 0.756 0.763 1.00 0.00 H new ATOM 0 HG13 ILE A 56 7.368 0.577 2.410 1.00 0.00 H new ATOM 0 HG21 ILE A 56 8.286 -1.773 3.562 1.00 0.00 H new ATOM 0 HG22 ILE A 56 8.406 -3.155 2.447 1.00 0.00 H new ATOM 0 HG23 ILE A 56 9.721 -1.959 2.527 1.00 0.00 H new ATOM 0 HD11 ILE A 56 9.509 1.768 2.347 1.00 0.00 H new ATOM 0 HD12 ILE A 56 9.692 0.210 3.188 1.00 0.00 H new ATOM 0 HD13 ILE A 56 10.270 0.392 1.515 1.00 0.00 H new ATOM 977 N LEU A 57 7.325 -3.850 -0.295 1.00 0.00 N ATOM 978 CA LEU A 57 7.332 -5.288 -0.563 1.00 0.00 C ATOM 979 C LEU A 57 8.062 -5.545 -1.883 1.00 0.00 C ATOM 980 O LEU A 57 8.947 -6.391 -1.896 1.00 0.00 O ATOM 981 CB LEU A 57 5.914 -5.887 -0.460 1.00 0.00 C ATOM 982 CG LEU A 57 5.930 -7.393 -0.103 1.00 0.00 C ATOM 983 CD1 LEU A 57 4.635 -7.828 0.609 1.00 0.00 C ATOM 984 CD2 LEU A 57 6.171 -8.242 -1.344 1.00 0.00 C ATOM 0 H LEU A 57 6.396 -3.431 -0.251 1.00 0.00 H new ATOM 0 HA LEU A 57 7.892 -5.823 0.204 1.00 0.00 H new ATOM 0 HB2 LEU A 57 5.348 -5.344 0.297 1.00 0.00 H new ATOM 0 HB3 LEU A 57 5.395 -5.747 -1.408 1.00 0.00 H new ATOM 0 HG LEU A 57 6.755 -7.551 0.592 1.00 0.00 H new ATOM 0 HD11 LEU A 57 4.687 -8.892 0.842 1.00 0.00 H new ATOM 0 HD12 LEU A 57 4.519 -7.260 1.532 1.00 0.00 H new ATOM 0 HD13 LEU A 57 3.781 -7.641 -0.042 1.00 0.00 H new ATOM 0 HD21 LEU A 57 6.178 -9.296 -1.068 1.00 0.00 H new ATOM 0 HD22 LEU A 57 5.376 -8.062 -2.068 1.00 0.00 H new ATOM 0 HD23 LEU A 57 7.131 -7.976 -1.786 1.00 0.00 H new ATOM 996 N ARG A 58 7.804 -4.764 -2.943 1.00 0.00 N ATOM 997 CA ARG A 58 8.478 -4.910 -4.240 1.00 0.00 C ATOM 998 C ARG A 58 9.983 -4.884 -4.058 1.00 0.00 C ATOM 999 O ARG A 58 10.686 -5.794 -4.475 1.00 0.00 O ATOM 1000 CB ARG A 58 8.034 -3.816 -5.227 1.00 0.00 C ATOM 1001 CG ARG A 58 8.015 -4.252 -6.699 1.00 0.00 C ATOM 1002 CD ARG A 58 9.289 -4.940 -7.197 1.00 0.00 C ATOM 1003 NE ARG A 58 9.439 -4.854 -8.657 1.00 0.00 N ATOM 1004 CZ ARG A 58 9.707 -5.866 -9.492 1.00 0.00 C ATOM 1005 NH1 ARG A 58 9.591 -7.137 -9.124 1.00 0.00 N ATOM 1006 NH2 ARG A 58 10.113 -5.589 -10.722 1.00 0.00 N ATOM 0 H ARG A 58 7.118 -4.010 -2.923 1.00 0.00 H new ATOM 0 HA ARG A 58 8.192 -5.874 -4.661 1.00 0.00 H new ATOM 0 HB2 ARG A 58 7.036 -3.478 -4.949 1.00 0.00 H new ATOM 0 HB3 ARG A 58 8.701 -2.960 -5.124 1.00 0.00 H new ATOM 0 HG2 ARG A 58 7.174 -4.929 -6.849 1.00 0.00 H new ATOM 0 HG3 ARG A 58 7.831 -3.374 -7.318 1.00 0.00 H new ATOM 0 HD2 ARG A 58 10.156 -4.484 -6.718 1.00 0.00 H new ATOM 0 HD3 ARG A 58 9.274 -5.988 -6.897 1.00 0.00 H new ATOM 0 HE ARG A 58 9.328 -3.931 -9.076 1.00 0.00 H new ATOM 0 HH11 ARG A 58 9.289 -7.368 -8.178 1.00 0.00 H new ATOM 0 HH12 ARG A 58 9.804 -7.882 -9.788 1.00 0.00 H new ATOM 0 HH21 ARG A 58 10.217 -4.619 -11.018 1.00 0.00 H new ATOM 0 HH22 ARG A 58 10.322 -6.346 -11.373 1.00 0.00 H new ATOM 1020 N GLU A 59 10.473 -3.844 -3.409 1.00 0.00 N ATOM 1021 CA GLU A 59 11.880 -3.577 -3.178 1.00 0.00 C ATOM 1022 C GLU A 59 12.526 -4.671 -2.325 1.00 0.00 C ATOM 1023 O GLU A 59 13.752 -4.785 -2.325 1.00 0.00 O ATOM 1024 CB GLU A 59 11.996 -2.192 -2.524 1.00 0.00 C ATOM 1025 CG GLU A 59 11.529 -1.083 -3.478 1.00 0.00 C ATOM 1026 CD GLU A 59 12.533 -0.654 -4.518 1.00 0.00 C ATOM 1027 OE1 GLU A 59 13.561 -0.078 -4.109 1.00 0.00 O ATOM 1028 OE2 GLU A 59 12.240 -0.763 -5.728 1.00 0.00 O ATOM 0 H GLU A 59 9.869 -3.126 -3.008 1.00 0.00 H new ATOM 0 HA GLU A 59 12.422 -3.580 -4.124 1.00 0.00 H new ATOM 0 HB2 GLU A 59 11.398 -2.167 -1.613 1.00 0.00 H new ATOM 0 HB3 GLU A 59 13.030 -2.011 -2.231 1.00 0.00 H new ATOM 0 HG2 GLU A 59 10.627 -1.422 -3.987 1.00 0.00 H new ATOM 0 HG3 GLU A 59 11.251 -0.211 -2.885 1.00 0.00 H new ATOM 1035 N ARG A 60 11.734 -5.512 -1.654 1.00 0.00 N ATOM 1036 CA ARG A 60 12.200 -6.688 -0.927 1.00 0.00 C ATOM 1037 C ARG A 60 12.012 -7.989 -1.701 1.00 0.00 C ATOM 1038 O ARG A 60 12.634 -8.973 -1.307 1.00 0.00 O ATOM 1039 CB ARG A 60 11.511 -6.770 0.448 1.00 0.00 C ATOM 1040 CG ARG A 60 11.842 -5.571 1.359 1.00 0.00 C ATOM 1041 CD ARG A 60 11.125 -5.543 2.722 1.00 0.00 C ATOM 1042 NE ARG A 60 9.786 -6.171 2.729 1.00 0.00 N ATOM 1043 CZ ARG A 60 9.499 -7.418 3.140 1.00 0.00 C ATOM 1044 NH1 ARG A 60 10.455 -8.220 3.597 1.00 0.00 N ATOM 1045 NH2 ARG A 60 8.254 -7.877 3.086 1.00 0.00 N ATOM 0 H ARG A 60 10.723 -5.387 -1.602 1.00 0.00 H new ATOM 0 HA ARG A 60 13.275 -6.567 -0.791 1.00 0.00 H new ATOM 0 HB2 ARG A 60 10.432 -6.824 0.305 1.00 0.00 H new ATOM 0 HB3 ARG A 60 11.813 -7.692 0.945 1.00 0.00 H new ATOM 0 HG2 ARG A 60 12.918 -5.560 1.536 1.00 0.00 H new ATOM 0 HG3 ARG A 60 11.598 -4.654 0.823 1.00 0.00 H new ATOM 0 HD2 ARG A 60 11.752 -6.048 3.457 1.00 0.00 H new ATOM 0 HD3 ARG A 60 11.027 -4.506 3.044 1.00 0.00 H new ATOM 0 HE ARG A 60 9.008 -5.605 2.390 1.00 0.00 H new ATOM 0 HH11 ARG A 60 11.420 -7.891 3.639 1.00 0.00 H new ATOM 0 HH12 ARG A 60 10.224 -9.164 3.906 1.00 0.00 H new ATOM 0 HH21 ARG A 60 7.506 -7.282 2.730 1.00 0.00 H new ATOM 0 HH22 ARG A 60 8.046 -8.825 3.400 1.00 0.00 H new ATOM 1059 N GLU A 61 11.275 -8.019 -2.816 1.00 0.00 N ATOM 1060 CA GLU A 61 11.144 -9.204 -3.643 1.00 0.00 C ATOM 1061 C GLU A 61 12.525 -9.483 -4.244 1.00 0.00 C ATOM 1062 O GLU A 61 12.939 -10.643 -4.301 1.00 0.00 O ATOM 1063 CB GLU A 61 10.142 -9.018 -4.797 1.00 0.00 C ATOM 1064 CG GLU A 61 8.680 -8.638 -4.538 1.00 0.00 C ATOM 1065 CD GLU A 61 7.967 -8.266 -5.861 1.00 0.00 C ATOM 1066 OE1 GLU A 61 8.445 -8.603 -6.971 1.00 0.00 O ATOM 1067 OE2 GLU A 61 6.940 -7.551 -5.847 1.00 0.00 O ATOM 0 H GLU A 61 10.754 -7.214 -3.164 1.00 0.00 H new ATOM 0 HA GLU A 61 10.775 -10.022 -3.024 1.00 0.00 H new ATOM 0 HB2 GLU A 61 10.556 -8.254 -5.455 1.00 0.00 H new ATOM 0 HB3 GLU A 61 10.131 -9.951 -5.360 1.00 0.00 H new ATOM 0 HG2 GLU A 61 8.162 -9.470 -4.062 1.00 0.00 H new ATOM 0 HG3 GLU A 61 8.635 -7.797 -3.846 1.00 0.00 H new ATOM 1074 N LEU A 62 13.207 -8.432 -4.742 1.00 0.00 N ATOM 1075 CA LEU A 62 14.490 -8.524 -5.427 1.00 0.00 C ATOM 1076 C LEU A 62 15.663 -8.008 -4.592 1.00 0.00 C ATOM 1077 O LEU A 62 16.808 -8.266 -4.962 1.00 0.00 O ATOM 1078 CB LEU A 62 14.475 -7.764 -6.771 1.00 0.00 C ATOM 1079 CG LEU A 62 13.143 -7.538 -7.505 1.00 0.00 C ATOM 1080 CD1 LEU A 62 12.359 -8.837 -7.703 1.00 0.00 C ATOM 1081 CD2 LEU A 62 12.283 -6.420 -6.916 1.00 0.00 C ATOM 0 H LEU A 62 12.862 -7.475 -4.671 1.00 0.00 H new ATOM 0 HA LEU A 62 14.637 -9.590 -5.601 1.00 0.00 H new ATOM 0 HB2 LEU A 62 14.920 -6.785 -6.596 1.00 0.00 H new ATOM 0 HB3 LEU A 62 15.136 -8.297 -7.454 1.00 0.00 H new ATOM 0 HG LEU A 62 13.425 -7.181 -8.495 1.00 0.00 H new ATOM 0 HD11 LEU A 62 11.427 -8.623 -8.226 1.00 0.00 H new ATOM 0 HD12 LEU A 62 12.954 -9.535 -8.292 1.00 0.00 H new ATOM 0 HD13 LEU A 62 12.137 -9.280 -6.732 1.00 0.00 H new ATOM 0 HD21 LEU A 62 11.363 -6.327 -7.492 1.00 0.00 H new ATOM 0 HD22 LEU A 62 12.040 -6.655 -5.880 1.00 0.00 H new ATOM 0 HD23 LEU A 62 12.832 -5.479 -6.955 1.00 0.00 H new ATOM 1093 N GLY A 63 15.400 -7.266 -3.513 1.00 0.00 N ATOM 1094 CA GLY A 63 16.433 -6.625 -2.711 1.00 0.00 C ATOM 1095 C GLY A 63 16.998 -5.403 -3.435 1.00 0.00 C ATOM 1096 O GLY A 63 18.167 -5.378 -3.818 1.00 0.00 O ATOM 0 H GLY A 63 14.454 -7.095 -3.173 1.00 0.00 H new ATOM 0 HA2 GLY A 63 16.019 -6.325 -1.748 1.00 0.00 H new ATOM 0 HA3 GLY A 63 17.234 -7.335 -2.506 1.00 0.00 H new ATOM 1100 N ILE A 64 16.161 -4.388 -3.649 1.00 0.00 N ATOM 1101 CA ILE A 64 16.454 -3.140 -4.311 1.00 0.00 C ATOM 1102 C ILE A 64 16.856 -2.115 -3.253 1.00 0.00 C ATOM 1103 O ILE A 64 18.046 -1.928 -3.010 1.00 0.00 O ATOM 1104 CB ILE A 64 15.264 -2.802 -5.228 1.00 0.00 C ATOM 1105 CG1 ILE A 64 15.071 -3.930 -6.266 1.00 0.00 C ATOM 1106 CG2 ILE A 64 15.500 -1.475 -5.929 1.00 0.00 C ATOM 1107 CD1 ILE A 64 14.084 -3.633 -7.395 1.00 0.00 C ATOM 0 H ILE A 64 15.191 -4.431 -3.337 1.00 0.00 H new ATOM 0 HA ILE A 64 17.313 -3.171 -4.981 1.00 0.00 H new ATOM 0 HB ILE A 64 14.361 -2.716 -4.623 1.00 0.00 H new ATOM 0 HG12 ILE A 64 16.040 -4.161 -6.708 1.00 0.00 H new ATOM 0 HG13 ILE A 64 14.737 -4.826 -5.743 1.00 0.00 H new ATOM 0 HG21 ILE A 64 14.651 -1.248 -6.574 1.00 0.00 H new ATOM 0 HG22 ILE A 64 15.612 -0.686 -5.186 1.00 0.00 H new ATOM 0 HG23 ILE A 64 16.407 -1.538 -6.531 1.00 0.00 H new ATOM 0 HD11 ILE A 64 14.027 -4.492 -8.064 1.00 0.00 H new ATOM 0 HD12 ILE A 64 13.098 -3.435 -6.974 1.00 0.00 H new ATOM 0 HD13 ILE A 64 14.422 -2.760 -7.953 1.00 0.00 H new