USER MOD reduce.3.24.130724 H: found=0, std=0, add=561, rem=0, adj=11 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 54 LYS NZ :NH3+ -125:sc= 0.166 (180deg=0) USER MOD Set 1.2: A 55 THR OG1 : rot 129:sc= 0.189 USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 8 ASN : amide:sc= -0.0365 X(o=-0.036,f=-0.031) USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0.421 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 21 LYS NZ :NH3+ 148:sc= 1.19 (180deg=0.495) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 GLN : amide:sc= 0.87 K(o=0.87,f=-0.85) USER MOD Single : A 26 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= 0 K(o=0,f=-1.4) USER MOD Single : A 34 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 36 GLN : amide:sc= 0.848 K(o=0.85,f=0) USER MOD Single : A 38 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0352) USER MOD Single : A 39 ASN : amide:sc= 0.805 K(o=0.8,f=-4.7!) USER MOD Single : A 40 THR OG1 : rot 180:sc= 0.0376 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 THR OG1 : rot 92:sc= 0.539 USER MOD Single : A 47 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0296) USER MOD ----------------------------------------------------------------- ATOM 40 N ALA A 3 11.435 4.844 3.130 1.00 0.00 N ATOM 41 CA ALA A 3 10.375 4.486 4.044 1.00 0.00 C ATOM 42 C ALA A 3 10.816 4.890 5.441 1.00 0.00 C ATOM 43 O ALA A 3 10.327 5.891 5.949 1.00 0.00 O ATOM 44 CB ALA A 3 10.088 2.987 3.944 1.00 0.00 C ATOM 0 HA ALA A 3 9.447 5.003 3.799 1.00 0.00 H new ATOM 0 HB1 ALA A 3 9.288 2.723 4.635 1.00 0.00 H new ATOM 0 HB2 ALA A 3 9.784 2.742 2.926 1.00 0.00 H new ATOM 0 HB3 ALA A 3 10.987 2.427 4.199 1.00 0.00 H new ATOM 50 N SER A 4 11.717 4.119 6.057 1.00 0.00 N ATOM 51 CA SER A 4 12.165 4.195 7.448 1.00 0.00 C ATOM 52 C SER A 4 11.062 3.812 8.441 1.00 0.00 C ATOM 53 O SER A 4 11.326 3.066 9.384 1.00 0.00 O ATOM 54 CB SER A 4 12.757 5.597 7.734 1.00 0.00 C ATOM 55 OG SER A 4 13.919 5.561 8.544 1.00 0.00 O ATOM 0 H SER A 4 12.188 3.367 5.555 1.00 0.00 H new ATOM 0 HA SER A 4 12.953 3.456 7.593 1.00 0.00 H new ATOM 0 HB2 SER A 4 12.997 6.082 6.788 1.00 0.00 H new ATOM 0 HB3 SER A 4 12.000 6.210 8.224 1.00 0.00 H new ATOM 0 HG SER A 4 14.246 6.474 8.688 1.00 0.00 H new ATOM 61 N GLU A 5 9.835 4.272 8.206 1.00 0.00 N ATOM 62 CA GLU A 5 8.641 3.848 8.945 1.00 0.00 C ATOM 63 C GLU A 5 8.191 2.496 8.386 1.00 0.00 C ATOM 64 O GLU A 5 8.124 1.484 9.063 1.00 0.00 O ATOM 65 CB GLU A 5 7.510 4.902 8.883 1.00 0.00 C ATOM 66 CG GLU A 5 7.257 5.541 7.504 1.00 0.00 C ATOM 67 CD GLU A 5 5.941 6.319 7.417 1.00 0.00 C ATOM 68 OE1 GLU A 5 4.851 5.705 7.444 1.00 0.00 O ATOM 69 OE2 GLU A 5 5.989 7.556 7.216 1.00 0.00 O ATOM 0 H GLU A 5 9.636 4.963 7.483 1.00 0.00 H new ATOM 0 HA GLU A 5 8.886 3.747 10.002 1.00 0.00 H new ATOM 0 HB2 GLU A 5 6.585 4.434 9.219 1.00 0.00 H new ATOM 0 HB3 GLU A 5 7.741 5.696 9.593 1.00 0.00 H new ATOM 0 HG2 GLU A 5 8.082 6.213 7.268 1.00 0.00 H new ATOM 0 HG3 GLU A 5 7.257 4.758 6.745 1.00 0.00 H new ATOM 76 N LEU A 6 7.955 2.453 7.082 1.00 0.00 N ATOM 77 CA LEU A 6 7.250 1.377 6.401 1.00 0.00 C ATOM 78 C LEU A 6 8.101 0.160 6.123 1.00 0.00 C ATOM 79 O LEU A 6 7.553 -0.883 5.790 1.00 0.00 O ATOM 80 CB LEU A 6 6.739 1.965 5.085 1.00 0.00 C ATOM 81 CG LEU A 6 5.420 2.728 5.267 1.00 0.00 C ATOM 82 CD1 LEU A 6 5.249 3.669 4.078 1.00 0.00 C ATOM 83 CD2 LEU A 6 4.244 1.765 5.407 1.00 0.00 C ATOM 0 H LEU A 6 8.260 3.192 6.448 1.00 0.00 H new ATOM 0 HA LEU A 6 6.449 1.020 7.048 1.00 0.00 H new ATOM 0 HB2 LEU A 6 7.492 2.637 4.672 1.00 0.00 H new ATOM 0 HB3 LEU A 6 6.596 1.163 4.361 1.00 0.00 H new ATOM 0 HG LEU A 6 5.446 3.312 6.187 1.00 0.00 H new ATOM 0 HD11 LEU A 6 4.317 4.224 4.184 1.00 0.00 H new ATOM 0 HD12 LEU A 6 6.085 4.367 4.044 1.00 0.00 H new ATOM 0 HD13 LEU A 6 5.223 3.089 3.156 1.00 0.00 H new ATOM 0 HD21 LEU A 6 3.322 2.333 5.535 1.00 0.00 H new ATOM 0 HD22 LEU A 6 4.170 1.149 4.511 1.00 0.00 H new ATOM 0 HD23 LEU A 6 4.399 1.125 6.276 1.00 0.00 H new ATOM 95 N ARG A 7 9.421 0.265 6.241 1.00 0.00 N ATOM 96 CA ARG A 7 10.312 -0.859 6.305 1.00 0.00 C ATOM 97 C ARG A 7 10.631 -1.223 7.761 1.00 0.00 C ATOM 98 O ARG A 7 11.446 -2.102 7.992 1.00 0.00 O ATOM 99 CB ARG A 7 11.542 -0.484 5.465 1.00 0.00 C ATOM 100 CG ARG A 7 12.356 -1.731 5.145 1.00 0.00 C ATOM 101 CD ARG A 7 13.549 -1.942 6.078 1.00 0.00 C ATOM 102 NE ARG A 7 14.852 -1.825 5.423 1.00 0.00 N ATOM 103 CZ ARG A 7 15.899 -1.129 5.879 1.00 0.00 C ATOM 104 NH1 ARG A 7 15.806 -0.325 6.937 1.00 0.00 N ATOM 105 NH2 ARG A 7 17.046 -1.232 5.227 1.00 0.00 N ATOM 0 H ARG A 7 9.900 1.164 6.295 1.00 0.00 H new ATOM 0 HA ARG A 7 9.867 -1.765 5.895 1.00 0.00 H new ATOM 0 HB2 ARG A 7 11.227 0.001 4.541 1.00 0.00 H new ATOM 0 HB3 ARG A 7 12.158 0.233 6.008 1.00 0.00 H new ATOM 0 HG2 ARG A 7 11.705 -2.603 5.199 1.00 0.00 H new ATOM 0 HG3 ARG A 7 12.716 -1.666 4.118 1.00 0.00 H new ATOM 0 HD2 ARG A 7 13.496 -1.214 6.888 1.00 0.00 H new ATOM 0 HD3 ARG A 7 13.471 -2.930 6.532 1.00 0.00 H new ATOM 0 HE ARG A 7 14.973 -2.319 4.539 1.00 0.00 H new ATOM 0 HH11 ARG A 7 14.916 -0.226 7.426 1.00 0.00 H new ATOM 0 HH12 ARG A 7 16.625 0.192 7.259 1.00 0.00 H new ATOM 0 HH21 ARG A 7 17.112 -1.829 4.403 1.00 0.00 H new ATOM 0 HH22 ARG A 7 17.864 -0.714 5.549 1.00 0.00 H new ATOM 119 N ASN A 8 10.085 -0.512 8.748 1.00 0.00 N ATOM 120 CA ASN A 8 10.351 -0.869 10.144 1.00 0.00 C ATOM 121 C ASN A 8 9.588 -2.113 10.566 1.00 0.00 C ATOM 122 O ASN A 8 10.082 -2.833 11.428 1.00 0.00 O ATOM 123 CB ASN A 8 9.993 0.242 11.144 1.00 0.00 C ATOM 124 CG ASN A 8 10.483 -0.122 12.544 1.00 0.00 C ATOM 125 OD1 ASN A 8 11.669 0.050 12.836 1.00 0.00 O ATOM 126 ND2 ASN A 8 9.621 -0.636 13.408 1.00 0.00 N ATOM 0 H ASN A 8 9.472 0.293 8.615 1.00 0.00 H new ATOM 0 HA ASN A 8 11.427 -1.042 10.173 1.00 0.00 H new ATOM 0 HB2 ASN A 8 10.443 1.183 10.828 1.00 0.00 H new ATOM 0 HB3 ASN A 8 8.914 0.393 11.158 1.00 0.00 H new ATOM 0 HD21 ASN A 8 9.932 -0.901 14.343 1.00 0.00 H new ATOM 0 HD22 ASN A 8 8.646 -0.767 13.139 1.00 0.00 H new ATOM 133 N TYR A 9 8.391 -2.325 10.007 1.00 0.00 N ATOM 134 CA TYR A 9 7.509 -3.400 10.383 1.00 0.00 C ATOM 135 C TYR A 9 8.242 -4.744 10.284 1.00 0.00 C ATOM 136 O TYR A 9 9.196 -4.859 9.509 1.00 0.00 O ATOM 137 CB TYR A 9 6.182 -3.211 9.625 1.00 0.00 C ATOM 138 CG TYR A 9 5.475 -1.917 9.951 1.00 0.00 C ATOM 139 CD1 TYR A 9 4.859 -1.722 11.200 1.00 0.00 C ATOM 140 CD2 TYR A 9 5.497 -0.882 9.000 1.00 0.00 C ATOM 141 CE1 TYR A 9 4.294 -0.469 11.511 1.00 0.00 C ATOM 142 CE2 TYR A 9 4.939 0.364 9.307 1.00 0.00 C ATOM 143 CZ TYR A 9 4.349 0.583 10.566 1.00 0.00 C ATOM 144 OH TYR A 9 3.893 1.827 10.877 1.00 0.00 O ATOM 0 H TYR A 9 8.014 -1.733 9.266 1.00 0.00 H new ATOM 0 HA TYR A 9 7.216 -3.391 11.433 1.00 0.00 H new ATOM 0 HB2 TYR A 9 6.378 -3.248 8.553 1.00 0.00 H new ATOM 0 HB3 TYR A 9 5.520 -4.045 9.857 1.00 0.00 H new ATOM 0 HD1 TYR A 9 4.819 -2.528 11.917 1.00 0.00 H new ATOM 0 HD2 TYR A 9 5.945 -1.049 8.032 1.00 0.00 H new ATOM 0 HE1 TYR A 9 3.820 -0.312 12.469 1.00 0.00 H new ATOM 0 HE2 TYR A 9 4.961 1.159 8.576 1.00 0.00 H new ATOM 0 HH TYR A 9 4.012 2.421 10.107 1.00 0.00 H new ATOM 154 N THR A 10 7.861 -5.737 11.084 1.00 0.00 N ATOM 155 CA THR A 10 8.465 -7.059 10.973 1.00 0.00 C ATOM 156 C THR A 10 8.045 -7.731 9.675 1.00 0.00 C ATOM 157 O THR A 10 7.045 -7.331 9.099 1.00 0.00 O ATOM 158 CB THR A 10 8.060 -7.962 12.129 1.00 0.00 C ATOM 159 OG1 THR A 10 6.707 -8.368 12.084 1.00 0.00 O ATOM 160 CG2 THR A 10 8.289 -7.321 13.498 1.00 0.00 C ATOM 0 H THR A 10 7.146 -5.652 11.807 1.00 0.00 H new ATOM 0 HA THR A 10 9.545 -6.914 10.993 1.00 0.00 H new ATOM 0 HB THR A 10 8.708 -8.830 12.005 1.00 0.00 H new ATOM 0 HG1 THR A 10 6.513 -8.946 12.852 1.00 0.00 H new ATOM 0 HG21 THR A 10 7.981 -8.014 14.281 1.00 0.00 H new ATOM 0 HG22 THR A 10 9.347 -7.086 13.617 1.00 0.00 H new ATOM 0 HG23 THR A 10 7.703 -6.405 13.573 1.00 0.00 H new ATOM 168 N ASP A 11 8.715 -8.792 9.228 1.00 0.00 N ATOM 169 CA ASP A 11 8.333 -9.502 8.001 1.00 0.00 C ATOM 170 C ASP A 11 6.854 -9.915 8.020 1.00 0.00 C ATOM 171 O ASP A 11 6.200 -9.888 6.978 1.00 0.00 O ATOM 172 CB ASP A 11 9.228 -10.728 7.789 1.00 0.00 C ATOM 173 CG ASP A 11 10.578 -10.425 7.140 1.00 0.00 C ATOM 174 OD1 ASP A 11 10.678 -9.537 6.267 1.00 0.00 O ATOM 175 OD2 ASP A 11 11.570 -11.123 7.468 1.00 0.00 O ATOM 0 H ASP A 11 9.531 -9.184 9.699 1.00 0.00 H new ATOM 0 HA ASP A 11 8.473 -8.814 7.167 1.00 0.00 H new ATOM 0 HB2 ASP A 11 9.402 -11.206 8.753 1.00 0.00 H new ATOM 0 HB3 ASP A 11 8.695 -11.448 7.168 1.00 0.00 H new ATOM 180 N GLU A 12 6.311 -10.261 9.191 1.00 0.00 N ATOM 181 CA GLU A 12 4.898 -10.567 9.371 1.00 0.00 C ATOM 182 C GLU A 12 4.003 -9.325 9.451 1.00 0.00 C ATOM 183 O GLU A 12 2.903 -9.354 8.896 1.00 0.00 O ATOM 184 CB GLU A 12 4.716 -11.431 10.619 1.00 0.00 C ATOM 185 CG GLU A 12 5.136 -12.888 10.374 1.00 0.00 C ATOM 186 CD GLU A 12 6.256 -13.320 11.312 1.00 0.00 C ATOM 187 OE1 GLU A 12 6.062 -13.277 12.548 1.00 0.00 O ATOM 188 OE2 GLU A 12 7.352 -13.698 10.834 1.00 0.00 O ATOM 0 H GLU A 12 6.854 -10.336 10.051 1.00 0.00 H new ATOM 0 HA GLU A 12 4.579 -11.110 8.481 1.00 0.00 H new ATOM 0 HB2 GLU A 12 5.305 -11.016 11.437 1.00 0.00 H new ATOM 0 HB3 GLU A 12 3.672 -11.402 10.932 1.00 0.00 H new ATOM 0 HG2 GLU A 12 4.275 -13.542 10.511 1.00 0.00 H new ATOM 0 HG3 GLU A 12 5.463 -13.003 9.341 1.00 0.00 H new ATOM 195 N GLU A 13 4.421 -8.253 10.126 1.00 0.00 N ATOM 196 CA GLU A 13 3.676 -7.000 10.162 1.00 0.00 C ATOM 197 C GLU A 13 3.615 -6.393 8.761 1.00 0.00 C ATOM 198 O GLU A 13 2.538 -6.044 8.300 1.00 0.00 O ATOM 199 CB GLU A 13 4.334 -6.003 11.128 1.00 0.00 C ATOM 200 CG GLU A 13 4.123 -6.318 12.609 1.00 0.00 C ATOM 201 CD GLU A 13 4.711 -5.249 13.549 1.00 0.00 C ATOM 202 OE1 GLU A 13 5.775 -4.643 13.247 1.00 0.00 O ATOM 203 OE2 GLU A 13 4.091 -5.032 14.617 1.00 0.00 O ATOM 0 H GLU A 13 5.288 -8.232 10.663 1.00 0.00 H new ATOM 0 HA GLU A 13 2.666 -7.210 10.513 1.00 0.00 H new ATOM 0 HB2 GLU A 13 5.405 -5.973 10.925 1.00 0.00 H new ATOM 0 HB3 GLU A 13 3.943 -5.006 10.923 1.00 0.00 H new ATOM 0 HG2 GLU A 13 3.055 -6.416 12.804 1.00 0.00 H new ATOM 0 HG3 GLU A 13 4.578 -7.282 12.837 1.00 0.00 H new ATOM 210 N LEU A 14 4.759 -6.290 8.078 1.00 0.00 N ATOM 211 CA LEU A 14 4.977 -5.676 6.774 1.00 0.00 C ATOM 212 C LEU A 14 3.918 -6.212 5.843 1.00 0.00 C ATOM 213 O LEU A 14 3.037 -5.472 5.436 1.00 0.00 O ATOM 214 CB LEU A 14 6.390 -5.964 6.208 1.00 0.00 C ATOM 215 CG LEU A 14 7.531 -5.258 6.958 1.00 0.00 C ATOM 216 CD1 LEU A 14 8.874 -5.977 6.793 1.00 0.00 C ATOM 217 CD2 LEU A 14 7.731 -3.783 6.623 1.00 0.00 C ATOM 0 H LEU A 14 5.627 -6.667 8.459 1.00 0.00 H new ATOM 0 HA LEU A 14 4.909 -4.593 6.873 1.00 0.00 H new ATOM 0 HB2 LEU A 14 6.566 -7.039 6.233 1.00 0.00 H new ATOM 0 HB3 LEU A 14 6.417 -5.661 5.161 1.00 0.00 H new ATOM 0 HG LEU A 14 7.194 -5.307 7.993 1.00 0.00 H new ATOM 0 HD11 LEU A 14 9.646 -5.437 7.342 1.00 0.00 H new ATOM 0 HD12 LEU A 14 8.794 -6.992 7.183 1.00 0.00 H new ATOM 0 HD13 LEU A 14 9.139 -6.014 5.736 1.00 0.00 H new ATOM 0 HD21 LEU A 14 8.560 -3.386 7.208 1.00 0.00 H new ATOM 0 HD22 LEU A 14 7.953 -3.678 5.561 1.00 0.00 H new ATOM 0 HD23 LEU A 14 6.822 -3.230 6.860 1.00 0.00 H new ATOM 229 N LYS A 15 3.947 -7.499 5.519 1.00 0.00 N ATOM 230 CA LYS A 15 2.988 -8.107 4.626 1.00 0.00 C ATOM 231 C LYS A 15 1.585 -7.749 5.057 1.00 0.00 C ATOM 232 O LYS A 15 0.855 -7.218 4.241 1.00 0.00 O ATOM 233 CB LYS A 15 3.200 -9.612 4.562 1.00 0.00 C ATOM 234 CG LYS A 15 3.096 -10.336 5.914 1.00 0.00 C ATOM 235 CD LYS A 15 3.548 -11.788 5.786 1.00 0.00 C ATOM 236 CE LYS A 15 2.999 -12.645 6.933 1.00 0.00 C ATOM 237 NZ LYS A 15 2.247 -13.806 6.423 1.00 0.00 N ATOM 0 H LYS A 15 4.646 -8.150 5.876 1.00 0.00 H new ATOM 0 HA LYS A 15 3.135 -7.719 3.618 1.00 0.00 H new ATOM 0 HB2 LYS A 15 2.465 -10.039 3.879 1.00 0.00 H new ATOM 0 HB3 LYS A 15 4.184 -9.808 4.135 1.00 0.00 H new ATOM 0 HG2 LYS A 15 3.710 -9.823 6.655 1.00 0.00 H new ATOM 0 HG3 LYS A 15 2.067 -10.301 6.273 1.00 0.00 H new ATOM 0 HD2 LYS A 15 3.210 -12.194 4.832 1.00 0.00 H new ATOM 0 HD3 LYS A 15 4.637 -11.833 5.784 1.00 0.00 H new ATOM 0 HE2 LYS A 15 3.822 -12.989 7.559 1.00 0.00 H new ATOM 0 HE3 LYS A 15 2.350 -12.038 7.565 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 1.889 -14.366 7.223 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 1.448 -13.475 5.846 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 2.874 -14.397 5.840 1.00 0.00 H new ATOM 251 N ASN A 16 1.233 -7.920 6.323 1.00 0.00 N ATOM 252 CA ASN A 16 -0.119 -7.707 6.811 1.00 0.00 C ATOM 253 C ASN A 16 -0.568 -6.243 6.710 1.00 0.00 C ATOM 254 O ASN A 16 -1.765 -5.950 6.737 1.00 0.00 O ATOM 255 CB ASN A 16 -0.123 -8.196 8.266 1.00 0.00 C ATOM 256 CG ASN A 16 -1.511 -8.432 8.833 1.00 0.00 C ATOM 257 OD1 ASN A 16 -2.016 -9.550 8.779 1.00 0.00 O ATOM 258 ND2 ASN A 16 -2.151 -7.422 9.391 1.00 0.00 N ATOM 0 H ASN A 16 1.887 -8.214 7.048 1.00 0.00 H new ATOM 0 HA ASN A 16 -0.833 -8.256 6.197 1.00 0.00 H new ATOM 0 HB2 ASN A 16 0.447 -9.123 8.329 1.00 0.00 H new ATOM 0 HB3 ASN A 16 0.392 -7.463 8.887 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -3.081 -7.563 9.786 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -1.716 -6.500 9.427 1.00 0.00 H new ATOM 265 N LEU A 17 0.386 -5.328 6.542 1.00 0.00 N ATOM 266 CA LEU A 17 0.187 -3.879 6.445 1.00 0.00 C ATOM 267 C LEU A 17 0.166 -3.461 4.979 1.00 0.00 C ATOM 268 O LEU A 17 -0.533 -2.525 4.605 1.00 0.00 O ATOM 269 CB LEU A 17 1.323 -3.100 7.159 1.00 0.00 C ATOM 270 CG LEU A 17 0.962 -2.510 8.544 1.00 0.00 C ATOM 271 CD1 LEU A 17 1.607 -3.300 9.688 1.00 0.00 C ATOM 272 CD2 LEU A 17 1.417 -1.051 8.672 1.00 0.00 C ATOM 0 H LEU A 17 1.369 -5.589 6.466 1.00 0.00 H new ATOM 0 HA LEU A 17 -0.761 -3.643 6.928 1.00 0.00 H new ATOM 0 HB2 LEU A 17 2.176 -3.767 7.280 1.00 0.00 H new ATOM 0 HB3 LEU A 17 1.644 -2.286 6.510 1.00 0.00 H new ATOM 0 HG LEU A 17 -0.124 -2.573 8.618 1.00 0.00 H new ATOM 0 HD11 LEU A 17 1.328 -2.852 10.642 1.00 0.00 H new ATOM 0 HD12 LEU A 17 1.261 -4.333 9.657 1.00 0.00 H new ATOM 0 HD13 LEU A 17 2.691 -3.277 9.580 1.00 0.00 H new ATOM 0 HD21 LEU A 17 1.147 -0.671 9.657 1.00 0.00 H new ATOM 0 HD22 LEU A 17 2.498 -0.995 8.545 1.00 0.00 H new ATOM 0 HD23 LEU A 17 0.930 -0.449 7.905 1.00 0.00 H new ATOM 284 N LEU A 18 0.980 -4.086 4.135 1.00 0.00 N ATOM 285 CA LEU A 18 1.143 -3.681 2.753 1.00 0.00 C ATOM 286 C LEU A 18 0.082 -4.371 1.930 1.00 0.00 C ATOM 287 O LEU A 18 -0.456 -3.763 1.003 1.00 0.00 O ATOM 288 CB LEU A 18 2.535 -4.029 2.186 1.00 0.00 C ATOM 289 CG LEU A 18 3.820 -3.882 3.036 1.00 0.00 C ATOM 290 CD1 LEU A 18 4.990 -3.497 2.138 1.00 0.00 C ATOM 291 CD2 LEU A 18 3.806 -2.915 4.239 1.00 0.00 C ATOM 0 H LEU A 18 1.547 -4.893 4.397 1.00 0.00 H new ATOM 0 HA LEU A 18 1.045 -2.596 2.707 1.00 0.00 H new ATOM 0 HB2 LEU A 18 2.491 -5.067 1.857 1.00 0.00 H new ATOM 0 HB3 LEU A 18 2.675 -3.418 1.294 1.00 0.00 H new ATOM 0 HG LEU A 18 3.910 -4.870 3.488 1.00 0.00 H new ATOM 0 HD11 LEU A 18 5.893 -3.395 2.740 1.00 0.00 H new ATOM 0 HD12 LEU A 18 5.142 -4.271 1.386 1.00 0.00 H new ATOM 0 HD13 LEU A 18 4.774 -2.549 1.645 1.00 0.00 H new ATOM 0 HD21 LEU A 18 4.780 -2.928 4.728 1.00 0.00 H new ATOM 0 HD22 LEU A 18 3.588 -1.905 3.892 1.00 0.00 H new ATOM 0 HD23 LEU A 18 3.040 -3.228 4.949 1.00 0.00 H new ATOM 303 N GLU A 19 -0.245 -5.607 2.311 1.00 0.00 N ATOM 304 CA GLU A 19 -1.392 -6.314 1.785 1.00 0.00 C ATOM 305 C GLU A 19 -2.670 -5.499 2.040 1.00 0.00 C ATOM 306 O GLU A 19 -3.509 -5.454 1.142 1.00 0.00 O ATOM 307 CB GLU A 19 -1.400 -7.763 2.311 1.00 0.00 C ATOM 308 CG GLU A 19 -2.057 -8.030 3.664 1.00 0.00 C ATOM 309 CD GLU A 19 -3.384 -8.787 3.492 1.00 0.00 C ATOM 310 OE1 GLU A 19 -4.321 -8.277 2.837 1.00 0.00 O ATOM 311 OE2 GLU A 19 -3.459 -9.958 3.927 1.00 0.00 O ATOM 0 H GLU A 19 0.288 -6.141 2.998 1.00 0.00 H new ATOM 0 HA GLU A 19 -1.338 -6.412 0.701 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -1.899 -8.385 1.568 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -0.366 -8.103 2.369 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -1.382 -8.611 4.292 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -2.237 -7.086 4.178 1.00 0.00 H new ATOM 318 N GLU A 20 -2.754 -4.767 3.168 1.00 0.00 N ATOM 319 CA GLU A 20 -3.851 -3.864 3.524 1.00 0.00 C ATOM 320 C GLU A 20 -3.950 -2.708 2.521 1.00 0.00 C ATOM 321 O GLU A 20 -5.003 -2.491 1.942 1.00 0.00 O ATOM 322 CB GLU A 20 -3.728 -3.346 4.965 1.00 0.00 C ATOM 323 CG GLU A 20 -4.882 -2.411 5.382 1.00 0.00 C ATOM 324 CD GLU A 20 -6.214 -3.110 5.637 1.00 0.00 C ATOM 325 OE1 GLU A 20 -6.213 -4.188 6.265 1.00 0.00 O ATOM 326 OE2 GLU A 20 -7.245 -2.524 5.232 1.00 0.00 O ATOM 0 H GLU A 20 -2.026 -4.794 3.882 1.00 0.00 H new ATOM 0 HA GLU A 20 -4.776 -4.438 3.474 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -3.695 -4.196 5.647 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -2.783 -2.814 5.072 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -4.589 -1.877 6.286 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -5.024 -1.663 4.602 1.00 0.00 H new ATOM 333 N LYS A 21 -2.889 -1.944 2.252 1.00 0.00 N ATOM 334 CA LYS A 21 -2.908 -0.899 1.253 1.00 0.00 C ATOM 335 C LYS A 21 -3.302 -1.544 -0.077 1.00 0.00 C ATOM 336 O LYS A 21 -4.287 -1.138 -0.696 1.00 0.00 O ATOM 337 CB LYS A 21 -1.531 -0.200 1.289 1.00 0.00 C ATOM 338 CG LYS A 21 -1.164 0.378 2.673 1.00 0.00 C ATOM 339 CD LYS A 21 -2.134 1.372 3.333 1.00 0.00 C ATOM 340 CE LYS A 21 -1.927 2.802 2.816 1.00 0.00 C ATOM 341 NZ LYS A 21 -1.388 3.709 3.857 1.00 0.00 N ATOM 0 H LYS A 21 -1.993 -2.042 2.729 1.00 0.00 H new ATOM 0 HA LYS A 21 -3.643 -0.113 1.429 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -0.764 -0.913 0.988 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -1.523 0.606 0.555 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -1.031 -0.460 3.358 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -0.196 0.871 2.581 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -3.160 1.061 3.139 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -1.994 1.353 4.414 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -1.244 2.783 1.967 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -2.877 3.195 2.453 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -0.782 4.427 3.412 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -2.175 4.178 4.350 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -0.829 3.160 4.541 1.00 0.00 H new ATOM 355 N LYS A 22 -2.556 -2.551 -0.541 1.00 0.00 N ATOM 356 CA LYS A 22 -2.823 -3.243 -1.796 1.00 0.00 C ATOM 357 C LYS A 22 -4.307 -3.653 -1.951 1.00 0.00 C ATOM 358 O LYS A 22 -4.850 -3.451 -3.045 1.00 0.00 O ATOM 359 CB LYS A 22 -1.856 -4.434 -1.874 1.00 0.00 C ATOM 360 CG LYS A 22 -1.988 -5.238 -3.168 1.00 0.00 C ATOM 361 CD LYS A 22 -0.992 -6.399 -3.172 1.00 0.00 C ATOM 362 CE LYS A 22 -1.321 -7.386 -4.288 1.00 0.00 C ATOM 363 NZ LYS A 22 -1.018 -6.881 -5.639 1.00 0.00 N ATOM 0 H LYS A 22 -1.740 -2.910 -0.046 1.00 0.00 H new ATOM 0 HA LYS A 22 -2.649 -2.572 -2.638 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -0.833 -4.069 -1.784 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -2.034 -5.094 -1.025 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -3.004 -5.621 -3.265 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -1.807 -4.591 -4.027 1.00 0.00 H new ATOM 0 HD2 LYS A 22 0.020 -6.016 -3.304 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -1.016 -6.909 -2.209 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -0.763 -8.307 -4.121 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -2.380 -7.640 -4.235 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -1.267 -7.604 -6.344 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -1.570 -6.018 -5.819 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -0.003 -6.664 -5.709 1.00 0.00 H new ATOM 377 N ARG A 23 -4.958 -4.213 -0.918 1.00 0.00 N ATOM 378 CA ARG A 23 -6.381 -4.583 -0.951 1.00 0.00 C ATOM 379 C ARG A 23 -7.272 -3.354 -0.913 1.00 0.00 C ATOM 380 O ARG A 23 -8.191 -3.287 -1.725 1.00 0.00 O ATOM 381 CB ARG A 23 -6.778 -5.562 0.181 1.00 0.00 C ATOM 382 CG ARG A 23 -6.728 -4.996 1.606 1.00 0.00 C ATOM 383 CD ARG A 23 -6.901 -6.000 2.739 1.00 0.00 C ATOM 384 NE ARG A 23 -8.170 -6.716 2.629 1.00 0.00 N ATOM 385 CZ ARG A 23 -8.331 -8.036 2.665 1.00 0.00 C ATOM 386 NH1 ARG A 23 -7.298 -8.856 2.840 1.00 0.00 N ATOM 387 NH2 ARG A 23 -9.553 -8.519 2.484 1.00 0.00 N ATOM 0 H ARG A 23 -4.506 -4.423 -0.028 1.00 0.00 H new ATOM 0 HA ARG A 23 -6.532 -5.104 -1.897 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -7.790 -5.919 -0.012 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -6.120 -6.429 0.132 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -5.771 -4.491 1.740 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -7.505 -4.237 1.700 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -6.077 -6.713 2.724 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -6.856 -5.481 3.697 1.00 0.00 H new ATOM 0 HE ARG A 23 -9.011 -6.151 2.514 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -6.358 -8.476 2.950 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -7.446 -9.865 2.864 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -10.334 -7.883 2.323 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -9.712 -9.526 2.505 1.00 0.00 H new ATOM 401 N GLN A 24 -6.998 -2.397 -0.022 1.00 0.00 N ATOM 402 CA GLN A 24 -7.760 -1.184 0.167 1.00 0.00 C ATOM 403 C GLN A 24 -7.934 -0.506 -1.181 1.00 0.00 C ATOM 404 O GLN A 24 -9.047 -0.171 -1.548 1.00 0.00 O ATOM 405 CB GLN A 24 -7.077 -0.246 1.175 1.00 0.00 C ATOM 406 CG GLN A 24 -7.447 -0.526 2.641 1.00 0.00 C ATOM 407 CD GLN A 24 -7.076 0.600 3.617 1.00 0.00 C ATOM 408 OE1 GLN A 24 -6.808 1.742 3.227 1.00 0.00 O ATOM 409 NE2 GLN A 24 -7.060 0.306 4.907 1.00 0.00 N ATOM 0 H GLN A 24 -6.200 -2.461 0.610 1.00 0.00 H new ATOM 0 HA GLN A 24 -8.738 -1.432 0.580 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -5.996 -0.332 1.061 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -7.342 0.784 0.935 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -8.520 -0.705 2.704 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -6.951 -1.443 2.959 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -7.283 -0.640 5.217 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -6.825 1.025 5.591 1.00 0.00 H new ATOM 418 N LEU A 25 -6.874 -0.349 -1.974 1.00 0.00 N ATOM 419 CA LEU A 25 -7.007 0.239 -3.305 1.00 0.00 C ATOM 420 C LEU A 25 -7.993 -0.554 -4.153 1.00 0.00 C ATOM 421 O LEU A 25 -8.926 0.020 -4.713 1.00 0.00 O ATOM 422 CB LEU A 25 -5.620 0.277 -3.928 1.00 0.00 C ATOM 423 CG LEU A 25 -5.447 0.708 -5.394 1.00 0.00 C ATOM 424 CD1 LEU A 25 -5.802 -0.385 -6.412 1.00 0.00 C ATOM 425 CD2 LEU A 25 -6.225 2.000 -5.650 1.00 0.00 C ATOM 0 H LEU A 25 -5.923 -0.618 -1.721 1.00 0.00 H new ATOM 0 HA LEU A 25 -7.408 1.251 -3.243 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -5.010 0.945 -3.320 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -5.194 -0.722 -3.831 1.00 0.00 H new ATOM 0 HG LEU A 25 -4.384 0.892 -5.547 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -5.654 -0.003 -7.422 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -5.160 -1.252 -6.254 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -6.844 -0.677 -6.284 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -6.099 2.301 -6.690 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -7.283 1.834 -5.446 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -5.848 2.787 -4.997 1.00 0.00 H new ATOM 437 N MET A 26 -7.775 -1.863 -4.275 1.00 0.00 N ATOM 438 CA MET A 26 -8.540 -2.745 -5.118 1.00 0.00 C ATOM 439 C MET A 26 -10.020 -2.830 -4.716 1.00 0.00 C ATOM 440 O MET A 26 -10.867 -3.066 -5.583 1.00 0.00 O ATOM 441 CB MET A 26 -7.845 -4.109 -5.044 1.00 0.00 C ATOM 442 CG MET A 26 -8.225 -4.930 -6.254 1.00 0.00 C ATOM 443 SD MET A 26 -7.387 -6.523 -6.448 1.00 0.00 S ATOM 444 CE MET A 26 -8.445 -7.565 -5.409 1.00 0.00 C ATOM 0 H MET A 26 -7.032 -2.343 -3.767 1.00 0.00 H new ATOM 0 HA MET A 26 -8.564 -2.365 -6.139 1.00 0.00 H new ATOM 0 HB2 MET A 26 -6.764 -3.977 -5.005 1.00 0.00 H new ATOM 0 HB3 MET A 26 -8.136 -4.629 -4.131 1.00 0.00 H new ATOM 0 HG2 MET A 26 -9.299 -5.112 -6.219 1.00 0.00 H new ATOM 0 HG3 MET A 26 -8.032 -4.333 -7.145 1.00 0.00 H new ATOM 0 HE1 MET A 26 -8.068 -8.588 -5.416 1.00 0.00 H new ATOM 0 HE2 MET A 26 -8.441 -7.184 -4.388 1.00 0.00 H new ATOM 0 HE3 MET A 26 -9.463 -7.551 -5.797 1.00 0.00 H new ATOM 454 N GLU A 27 -10.341 -2.599 -3.444 1.00 0.00 N ATOM 455 CA GLU A 27 -11.712 -2.697 -2.927 1.00 0.00 C ATOM 456 C GLU A 27 -12.396 -1.329 -2.941 1.00 0.00 C ATOM 457 O GLU A 27 -13.603 -1.211 -3.153 1.00 0.00 O ATOM 458 CB GLU A 27 -11.721 -3.333 -1.529 1.00 0.00 C ATOM 459 CG GLU A 27 -11.347 -2.376 -0.398 1.00 0.00 C ATOM 460 CD GLU A 27 -11.304 -3.034 0.978 1.00 0.00 C ATOM 461 OE1 GLU A 27 -10.485 -3.956 1.195 1.00 0.00 O ATOM 462 OE2 GLU A 27 -12.098 -2.630 1.861 1.00 0.00 O ATOM 0 H GLU A 27 -9.655 -2.337 -2.736 1.00 0.00 H new ATOM 0 HA GLU A 27 -12.286 -3.351 -3.583 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -12.714 -3.737 -1.333 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -11.028 -4.174 -1.521 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -10.371 -1.939 -0.612 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -12.065 -1.556 -0.376 1.00 0.00 H new ATOM 469 N LEU A 28 -11.614 -0.266 -2.778 1.00 0.00 N ATOM 470 CA LEU A 28 -12.086 1.093 -2.912 1.00 0.00 C ATOM 471 C LEU A 28 -12.419 1.350 -4.372 1.00 0.00 C ATOM 472 O LEU A 28 -13.475 1.897 -4.665 1.00 0.00 O ATOM 473 CB LEU A 28 -11.026 2.062 -2.387 1.00 0.00 C ATOM 474 CG LEU A 28 -11.102 2.445 -0.891 1.00 0.00 C ATOM 475 CD1 LEU A 28 -11.479 1.331 0.092 1.00 0.00 C ATOM 476 CD2 LEU A 28 -9.749 3.042 -0.490 1.00 0.00 C ATOM 0 H LEU A 28 -10.623 -0.334 -2.546 1.00 0.00 H new ATOM 0 HA LEU A 28 -12.988 1.248 -2.321 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -10.045 1.625 -2.575 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -11.085 2.978 -2.974 1.00 0.00 H new ATOM 0 HG LEU A 28 -11.929 3.150 -0.813 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -11.497 1.731 1.106 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -12.465 0.940 -0.161 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -10.744 0.528 0.032 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -9.773 3.322 0.563 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -8.963 2.304 -0.651 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -9.547 3.925 -1.096 1.00 0.00 H new ATOM 488 N ARG A 29 -11.585 0.921 -5.321 1.00 0.00 N ATOM 489 CA ARG A 29 -11.930 1.080 -6.738 1.00 0.00 C ATOM 490 C ARG A 29 -13.215 0.324 -7.078 1.00 0.00 C ATOM 491 O ARG A 29 -13.945 0.771 -7.954 1.00 0.00 O ATOM 492 CB ARG A 29 -10.773 0.748 -7.695 1.00 0.00 C ATOM 493 CG ARG A 29 -10.388 -0.729 -7.724 1.00 0.00 C ATOM 494 CD ARG A 29 -9.407 -1.055 -8.855 1.00 0.00 C ATOM 495 NE ARG A 29 -10.097 -1.145 -10.159 1.00 0.00 N ATOM 496 CZ ARG A 29 -9.698 -1.869 -11.211 1.00 0.00 C ATOM 497 NH1 ARG A 29 -8.513 -2.466 -11.211 1.00 0.00 N ATOM 498 NH2 ARG A 29 -10.489 -1.998 -12.271 1.00 0.00 N ATOM 0 H ARG A 29 -10.687 0.471 -5.143 1.00 0.00 H new ATOM 0 HA ARG A 29 -12.121 2.142 -6.895 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -11.049 1.060 -8.702 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -9.900 1.334 -7.408 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -9.941 -1.004 -6.769 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -11.287 -1.334 -7.841 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -8.636 -0.286 -8.902 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -8.904 -1.998 -8.642 1.00 0.00 H new ATOM 0 HE ARG A 29 -10.956 -0.606 -10.267 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -7.896 -2.375 -10.404 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -8.219 -3.016 -12.018 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -11.403 -1.545 -12.284 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -10.183 -2.550 -13.072 1.00 0.00 H new ATOM 512 N PHE A 30 -13.506 -0.773 -6.377 1.00 0.00 N ATOM 513 CA PHE A 30 -14.744 -1.526 -6.496 1.00 0.00 C ATOM 514 C PHE A 30 -15.935 -0.721 -5.949 1.00 0.00 C ATOM 515 O PHE A 30 -16.997 -0.758 -6.568 1.00 0.00 O ATOM 516 CB PHE A 30 -14.540 -2.885 -5.797 1.00 0.00 C ATOM 517 CG PHE A 30 -15.774 -3.630 -5.331 1.00 0.00 C ATOM 518 CD1 PHE A 30 -16.351 -3.298 -4.090 1.00 0.00 C ATOM 519 CD2 PHE A 30 -16.283 -4.716 -6.066 1.00 0.00 C ATOM 520 CE1 PHE A 30 -17.424 -4.047 -3.584 1.00 0.00 C ATOM 521 CE2 PHE A 30 -17.345 -5.477 -5.548 1.00 0.00 C ATOM 522 CZ PHE A 30 -17.904 -5.153 -4.301 1.00 0.00 C ATOM 0 H PHE A 30 -12.863 -1.170 -5.691 1.00 0.00 H new ATOM 0 HA PHE A 30 -14.990 -1.714 -7.541 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -13.994 -3.535 -6.481 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -13.899 -2.723 -4.931 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -15.965 -2.462 -3.525 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -15.858 -4.965 -7.027 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -17.880 -3.773 -2.644 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -17.732 -6.314 -6.111 1.00 0.00 H new ATOM 0 HZ PHE A 30 -18.703 -5.755 -3.894 1.00 0.00 H new ATOM 532 N GLN A 31 -15.782 0.044 -4.854 1.00 0.00 N ATOM 533 CA GLN A 31 -16.823 0.867 -4.278 1.00 0.00 C ATOM 534 C GLN A 31 -17.019 2.053 -5.206 1.00 0.00 C ATOM 535 O GLN A 31 -18.144 2.432 -5.494 1.00 0.00 O ATOM 536 CB GLN A 31 -16.393 1.339 -2.876 1.00 0.00 C ATOM 537 CG GLN A 31 -16.403 0.209 -1.833 1.00 0.00 C ATOM 538 CD GLN A 31 -17.299 0.520 -0.635 1.00 0.00 C ATOM 539 OE1 GLN A 31 -18.453 0.896 -0.813 1.00 0.00 O ATOM 540 NE2 GLN A 31 -16.815 0.354 0.584 1.00 0.00 N ATOM 0 H GLN A 31 -14.901 0.098 -4.342 1.00 0.00 H new ATOM 0 HA GLN A 31 -17.755 0.312 -4.172 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -15.391 1.764 -2.933 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -17.059 2.136 -2.547 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -16.742 -0.713 -2.305 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -15.385 0.033 -1.484 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -15.853 0.041 0.712 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -17.404 0.539 1.396 1.00 0.00 H new ATOM 549 N LEU A 32 -15.930 2.640 -5.699 1.00 0.00 N ATOM 550 CA LEU A 32 -15.957 3.784 -6.584 1.00 0.00 C ATOM 551 C LEU A 32 -16.678 3.431 -7.874 1.00 0.00 C ATOM 552 O LEU A 32 -17.546 4.187 -8.291 1.00 0.00 O ATOM 553 CB LEU A 32 -14.526 4.261 -6.864 1.00 0.00 C ATOM 554 CG LEU A 32 -14.501 5.662 -7.492 1.00 0.00 C ATOM 555 CD1 LEU A 32 -14.969 6.724 -6.485 1.00 0.00 C ATOM 556 CD2 LEU A 32 -13.077 5.966 -7.967 1.00 0.00 C ATOM 0 H LEU A 32 -14.986 2.319 -5.484 1.00 0.00 H new ATOM 0 HA LEU A 32 -16.502 4.597 -6.105 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -13.958 4.270 -5.934 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -14.032 3.555 -7.532 1.00 0.00 H new ATOM 0 HG LEU A 32 -15.185 5.688 -8.340 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -14.942 7.707 -6.954 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -15.988 6.501 -6.168 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -14.310 6.718 -5.617 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -13.047 6.959 -8.415 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -12.395 5.930 -7.118 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -12.774 5.225 -8.707 1.00 0.00 H new ATOM 568 N ALA A 33 -16.358 2.280 -8.466 1.00 0.00 N ATOM 569 CA ALA A 33 -17.000 1.772 -9.665 1.00 0.00 C ATOM 570 C ALA A 33 -18.484 1.469 -9.448 1.00 0.00 C ATOM 571 O ALA A 33 -19.264 1.499 -10.401 1.00 0.00 O ATOM 572 CB ALA A 33 -16.268 0.504 -10.101 1.00 0.00 C ATOM 0 H ALA A 33 -15.626 1.664 -8.111 1.00 0.00 H new ATOM 0 HA ALA A 33 -16.945 2.539 -10.437 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -16.735 0.106 -11.002 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -15.224 0.739 -10.308 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -16.322 -0.239 -9.305 1.00 0.00 H new ATOM 578 N MET A 34 -18.885 1.149 -8.219 1.00 0.00 N ATOM 579 CA MET A 34 -20.275 0.992 -7.828 1.00 0.00 C ATOM 580 C MET A 34 -20.912 2.330 -7.439 1.00 0.00 C ATOM 581 O MET A 34 -22.118 2.392 -7.214 1.00 0.00 O ATOM 582 CB MET A 34 -20.317 -0.027 -6.687 1.00 0.00 C ATOM 583 CG MET A 34 -20.320 -1.436 -7.267 1.00 0.00 C ATOM 584 SD MET A 34 -21.991 -2.108 -7.363 1.00 0.00 S ATOM 585 CE MET A 34 -21.760 -3.327 -8.672 1.00 0.00 C ATOM 0 H MET A 34 -18.232 0.989 -7.452 1.00 0.00 H new ATOM 0 HA MET A 34 -20.866 0.629 -8.669 1.00 0.00 H new ATOM 0 HB2 MET A 34 -19.455 0.107 -6.033 1.00 0.00 H new ATOM 0 HB3 MET A 34 -21.207 0.129 -6.078 1.00 0.00 H new ATOM 0 HG2 MET A 34 -19.875 -1.422 -8.262 1.00 0.00 H new ATOM 0 HG3 MET A 34 -19.700 -2.086 -6.649 1.00 0.00 H new ATOM 0 HE1 MET A 34 -22.703 -3.840 -8.862 1.00 0.00 H new ATOM 0 HE2 MET A 34 -21.430 -2.826 -9.582 1.00 0.00 H new ATOM 0 HE3 MET A 34 -21.007 -4.053 -8.365 1.00 0.00 H new ATOM 595 N GLY A 35 -20.134 3.402 -7.347 1.00 0.00 N ATOM 596 CA GLY A 35 -20.586 4.735 -7.034 1.00 0.00 C ATOM 597 C GLY A 35 -20.920 4.849 -5.563 1.00 0.00 C ATOM 598 O GLY A 35 -21.947 5.422 -5.203 1.00 0.00 O ATOM 0 H GLY A 35 -19.126 3.354 -7.497 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -19.813 5.458 -7.295 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -21.464 4.978 -7.632 1.00 0.00 H new ATOM 602 N GLN A 36 -20.072 4.264 -4.712 1.00 0.00 N ATOM 603 CA GLN A 36 -20.347 4.132 -3.293 1.00 0.00 C ATOM 604 C GLN A 36 -19.319 4.937 -2.507 1.00 0.00 C ATOM 605 O GLN A 36 -19.619 5.517 -1.465 1.00 0.00 O ATOM 606 CB GLN A 36 -20.288 2.652 -2.890 1.00 0.00 C ATOM 607 CG GLN A 36 -21.045 1.713 -3.836 1.00 0.00 C ATOM 608 CD GLN A 36 -22.557 1.744 -3.643 1.00 0.00 C ATOM 609 OE1 GLN A 36 -23.058 1.322 -2.603 1.00 0.00 O ATOM 610 NE2 GLN A 36 -23.320 2.179 -4.635 1.00 0.00 N ATOM 0 H GLN A 36 -19.175 3.870 -4.996 1.00 0.00 H new ATOM 0 HA GLN A 36 -21.344 4.513 -3.073 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -19.244 2.340 -2.845 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -20.696 2.544 -1.885 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -20.813 1.983 -4.866 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -20.688 0.694 -3.686 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -22.892 2.527 -5.493 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -24.336 2.166 -4.541 1.00 0.00 H new ATOM 619 N LEU A 37 -18.085 4.963 -3.009 1.00 0.00 N ATOM 620 CA LEU A 37 -16.947 5.576 -2.346 1.00 0.00 C ATOM 621 C LEU A 37 -17.135 7.093 -2.236 1.00 0.00 C ATOM 622 O LEU A 37 -17.473 7.756 -3.220 1.00 0.00 O ATOM 623 CB LEU A 37 -15.684 5.172 -3.101 1.00 0.00 C ATOM 624 CG LEU A 37 -14.413 5.322 -2.259 1.00 0.00 C ATOM 625 CD1 LEU A 37 -13.288 4.571 -2.950 1.00 0.00 C ATOM 626 CD2 LEU A 37 -14.000 6.775 -2.035 1.00 0.00 C ATOM 0 H LEU A 37 -17.849 4.547 -3.910 1.00 0.00 H new ATOM 0 HA LEU A 37 -16.856 5.222 -1.319 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -15.777 4.136 -3.427 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -15.593 5.782 -3.999 1.00 0.00 H new ATOM 0 HG LEU A 37 -14.622 4.909 -1.272 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -12.374 4.666 -2.365 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -13.554 3.518 -3.038 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -13.128 4.989 -3.944 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -13.093 6.807 -1.431 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -13.813 7.252 -2.997 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -14.799 7.305 -1.517 1.00 0.00 H new ATOM 638 N LYS A 38 -16.898 7.639 -1.041 1.00 0.00 N ATOM 639 CA LYS A 38 -17.162 9.031 -0.675 1.00 0.00 C ATOM 640 C LYS A 38 -16.533 10.064 -1.613 1.00 0.00 C ATOM 641 O LYS A 38 -17.235 10.993 -2.012 1.00 0.00 O ATOM 642 CB LYS A 38 -16.766 9.247 0.800 1.00 0.00 C ATOM 643 CG LYS A 38 -17.754 10.134 1.572 1.00 0.00 C ATOM 644 CD LYS A 38 -17.530 11.642 1.418 1.00 0.00 C ATOM 645 CE LYS A 38 -18.738 12.440 1.918 1.00 0.00 C ATOM 646 NZ LYS A 38 -19.104 12.136 3.318 1.00 0.00 N ATOM 0 H LYS A 38 -16.501 7.101 -0.271 1.00 0.00 H new ATOM 0 HA LYS A 38 -18.232 9.203 -0.793 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -16.695 8.279 1.295 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -15.775 9.699 0.840 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -18.765 9.897 1.242 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -17.696 9.880 2.630 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -16.641 11.938 1.975 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -17.344 11.879 0.370 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -18.522 13.505 1.830 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -19.593 12.233 1.274 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -19.837 12.801 3.637 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -19.469 11.164 3.378 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -18.264 12.229 3.924 1.00 0.00 H new ATOM 660 N ASN A 39 -15.241 9.962 -1.953 1.00 0.00 N ATOM 661 CA ASN A 39 -14.600 10.903 -2.878 1.00 0.00 C ATOM 662 C ASN A 39 -13.469 10.238 -3.660 1.00 0.00 C ATOM 663 O ASN A 39 -12.735 9.429 -3.097 1.00 0.00 O ATOM 664 CB ASN A 39 -14.017 12.092 -2.108 1.00 0.00 C ATOM 665 CG ASN A 39 -13.758 13.232 -3.073 1.00 0.00 C ATOM 666 OD1 ASN A 39 -12.684 13.328 -3.658 1.00 0.00 O ATOM 667 ND2 ASN A 39 -14.749 14.066 -3.310 1.00 0.00 N ATOM 0 H ASN A 39 -14.619 9.235 -1.600 1.00 0.00 H new ATOM 0 HA ASN A 39 -15.367 11.240 -3.575 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -14.709 12.410 -1.328 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -13.090 11.801 -1.613 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -14.634 14.814 -3.994 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -15.632 13.964 -2.810 1.00 0.00 H new ATOM 674 N THR A 40 -13.247 10.605 -4.919 1.00 0.00 N ATOM 675 CA THR A 40 -12.165 10.109 -5.775 1.00 0.00 C ATOM 676 C THR A 40 -10.764 10.436 -5.244 1.00 0.00 C ATOM 677 O THR A 40 -9.833 9.644 -5.422 1.00 0.00 O ATOM 678 CB THR A 40 -12.370 10.696 -7.174 1.00 0.00 C ATOM 679 OG1 THR A 40 -12.656 12.080 -7.077 1.00 0.00 O ATOM 680 CG2 THR A 40 -13.556 10.047 -7.889 1.00 0.00 C ATOM 0 H THR A 40 -13.840 11.285 -5.394 1.00 0.00 H new ATOM 0 HA THR A 40 -12.214 9.020 -5.794 1.00 0.00 H new ATOM 0 HB THR A 40 -11.453 10.512 -7.734 1.00 0.00 H new ATOM 0 HG1 THR A 40 -12.785 12.451 -7.975 1.00 0.00 H new ATOM 0 HG21 THR A 40 -13.670 10.489 -8.879 1.00 0.00 H new ATOM 0 HG22 THR A 40 -13.379 8.976 -7.988 1.00 0.00 H new ATOM 0 HG23 THR A 40 -14.465 10.213 -7.310 1.00 0.00 H new ATOM 688 N SER A 41 -10.599 11.560 -4.541 1.00 0.00 N ATOM 689 CA SER A 41 -9.323 11.910 -3.935 1.00 0.00 C ATOM 690 C SER A 41 -8.881 10.848 -2.916 1.00 0.00 C ATOM 691 O SER A 41 -7.678 10.644 -2.765 1.00 0.00 O ATOM 692 CB SER A 41 -9.396 13.300 -3.300 1.00 0.00 C ATOM 693 OG SER A 41 -9.472 14.328 -4.284 1.00 0.00 O ATOM 0 H SER A 41 -11.340 12.242 -4.380 1.00 0.00 H new ATOM 0 HA SER A 41 -8.567 11.937 -4.720 1.00 0.00 H new ATOM 0 HB2 SER A 41 -10.267 13.356 -2.648 1.00 0.00 H new ATOM 0 HB3 SER A 41 -8.518 13.460 -2.674 1.00 0.00 H new ATOM 0 HG SER A 41 -9.519 15.201 -3.842 1.00 0.00 H new ATOM 699 N LEU A 42 -9.813 10.126 -2.272 1.00 0.00 N ATOM 700 CA LEU A 42 -9.470 9.020 -1.379 1.00 0.00 C ATOM 701 C LEU A 42 -8.759 7.910 -2.149 1.00 0.00 C ATOM 702 O LEU A 42 -7.719 7.455 -1.678 1.00 0.00 O ATOM 703 CB LEU A 42 -10.690 8.516 -0.602 1.00 0.00 C ATOM 704 CG LEU A 42 -10.471 7.197 0.167 1.00 0.00 C ATOM 705 CD1 LEU A 42 -9.306 7.225 1.157 1.00 0.00 C ATOM 706 CD2 LEU A 42 -11.724 6.878 0.980 1.00 0.00 C ATOM 0 H LEU A 42 -10.815 10.295 -2.358 1.00 0.00 H new ATOM 0 HA LEU A 42 -8.772 9.390 -0.628 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -10.995 9.286 0.106 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -11.516 8.380 -1.300 1.00 0.00 H new ATOM 0 HG LEU A 42 -10.246 6.452 -0.596 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -9.226 6.257 1.652 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -8.380 7.437 0.623 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -9.481 8.001 1.903 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -11.576 5.946 1.526 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -11.915 7.686 1.686 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -12.576 6.773 0.309 1.00 0.00 H new ATOM 718 N ILE A 43 -9.240 7.479 -3.323 1.00 0.00 N ATOM 719 CA ILE A 43 -8.478 6.536 -4.138 1.00 0.00 C ATOM 720 C ILE A 43 -7.120 7.150 -4.424 1.00 0.00 C ATOM 721 O ILE A 43 -6.138 6.527 -4.048 1.00 0.00 O ATOM 722 CB ILE A 43 -9.228 6.042 -5.402 1.00 0.00 C ATOM 723 CG1 ILE A 43 -10.012 4.751 -5.051 1.00 0.00 C ATOM 724 CG2 ILE A 43 -8.297 5.812 -6.617 1.00 0.00 C ATOM 725 CD1 ILE A 43 -9.151 3.484 -5.028 1.00 0.00 C ATOM 0 H ILE A 43 -10.135 7.764 -3.720 1.00 0.00 H new ATOM 0 HA ILE A 43 -8.339 5.613 -3.575 1.00 0.00 H new ATOM 0 HB ILE A 43 -9.917 6.830 -5.707 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -10.480 4.877 -4.075 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -10.816 4.618 -5.775 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -8.886 5.467 -7.467 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -7.799 6.746 -6.876 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -7.549 5.060 -6.365 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -9.773 2.626 -4.775 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -8.703 3.330 -6.010 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -8.363 3.593 -4.283 1.00 0.00 H new ATOM 737 N LYS A 44 -7.022 8.349 -5.008 1.00 0.00 N ATOM 738 CA LYS A 44 -5.730 8.921 -5.372 1.00 0.00 C ATOM 739 C LYS A 44 -4.723 8.871 -4.218 1.00 0.00 C ATOM 740 O LYS A 44 -3.560 8.531 -4.426 1.00 0.00 O ATOM 741 CB LYS A 44 -5.966 10.337 -5.931 1.00 0.00 C ATOM 742 CG LYS A 44 -4.711 11.215 -5.878 1.00 0.00 C ATOM 743 CD LYS A 44 -4.621 12.083 -4.611 1.00 0.00 C ATOM 744 CE LYS A 44 -3.225 12.042 -3.975 1.00 0.00 C ATOM 745 NZ LYS A 44 -2.958 13.251 -3.157 1.00 0.00 N ATOM 0 H LYS A 44 -7.823 8.938 -5.237 1.00 0.00 H new ATOM 0 HA LYS A 44 -5.265 8.318 -6.152 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -6.308 10.262 -6.963 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -6.764 10.818 -5.365 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -3.829 10.577 -5.935 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -4.693 11.863 -6.754 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -4.874 13.113 -4.860 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -5.359 11.740 -3.885 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -3.136 11.153 -3.350 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -2.471 11.959 -4.758 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -2.006 13.187 -2.744 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -3.018 14.097 -3.758 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -3.662 13.317 -2.395 1.00 0.00 H new ATOM 759 N LEU A 45 -5.140 9.201 -3.004 1.00 0.00 N ATOM 760 CA LEU A 45 -4.390 9.268 -1.796 1.00 0.00 C ATOM 761 C LEU A 45 -3.993 7.871 -1.378 1.00 0.00 C ATOM 762 O LEU A 45 -2.831 7.630 -1.078 1.00 0.00 O ATOM 763 CB LEU A 45 -5.348 9.958 -0.810 1.00 0.00 C ATOM 764 CG LEU A 45 -4.882 10.107 0.632 1.00 0.00 C ATOM 765 CD1 LEU A 45 -5.190 8.860 1.475 1.00 0.00 C ATOM 766 CD2 LEU A 45 -3.416 10.507 0.633 1.00 0.00 C ATOM 0 H LEU A 45 -6.116 9.451 -2.844 1.00 0.00 H new ATOM 0 HA LEU A 45 -3.453 9.820 -1.869 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -5.570 10.953 -1.197 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -6.285 9.401 -0.805 1.00 0.00 H new ATOM 0 HG LEU A 45 -5.445 10.902 1.121 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -4.839 9.015 2.495 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -6.266 8.684 1.484 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -4.684 7.996 1.044 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -3.070 10.617 1.661 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -2.828 9.737 0.133 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -3.297 11.454 0.107 1.00 0.00 H new ATOM 778 N THR A 46 -4.930 6.932 -1.405 1.00 0.00 N ATOM 779 CA THR A 46 -4.681 5.593 -0.937 1.00 0.00 C ATOM 780 C THR A 46 -3.690 4.972 -1.903 1.00 0.00 C ATOM 781 O THR A 46 -2.653 4.460 -1.526 1.00 0.00 O ATOM 782 CB THR A 46 -6.048 4.905 -0.889 1.00 0.00 C ATOM 783 OG1 THR A 46 -6.847 5.601 0.039 1.00 0.00 O ATOM 784 CG2 THR A 46 -6.003 3.462 -0.454 1.00 0.00 C ATOM 0 H THR A 46 -5.877 7.085 -1.752 1.00 0.00 H new ATOM 0 HA THR A 46 -4.240 5.517 0.057 1.00 0.00 H new ATOM 0 HB THR A 46 -6.442 4.920 -1.905 1.00 0.00 H new ATOM 0 HG1 THR A 46 -7.353 6.300 -0.425 1.00 0.00 H new ATOM 0 HG21 THR A 46 -7.013 3.052 -0.448 1.00 0.00 H new ATOM 0 HG22 THR A 46 -5.384 2.892 -1.147 1.00 0.00 H new ATOM 0 HG23 THR A 46 -5.579 3.397 0.548 1.00 0.00 H new ATOM 792 N LYS A 47 -3.961 5.098 -3.187 1.00 0.00 N ATOM 793 CA LYS A 47 -3.188 4.606 -4.298 1.00 0.00 C ATOM 794 C LYS A 47 -1.796 5.223 -4.431 1.00 0.00 C ATOM 795 O LYS A 47 -0.884 4.495 -4.833 1.00 0.00 O ATOM 796 CB LYS A 47 -4.154 4.522 -5.463 1.00 0.00 C ATOM 797 CG LYS A 47 -3.850 5.523 -6.530 1.00 0.00 C ATOM 798 CD LYS A 47 -3.000 4.757 -7.526 1.00 0.00 C ATOM 799 CE LYS A 47 -2.710 5.485 -8.846 1.00 0.00 C ATOM 800 NZ LYS A 47 -2.802 6.962 -8.777 1.00 0.00 N ATOM 0 H LYS A 47 -4.798 5.589 -3.500 1.00 0.00 H new ATOM 0 HA LYS A 47 -2.802 3.594 -4.175 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -4.119 3.519 -5.889 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -5.170 4.679 -5.101 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -4.762 5.902 -6.992 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -3.315 6.384 -6.128 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -2.050 4.509 -7.052 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -3.498 3.815 -7.753 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -1.709 5.213 -9.182 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -3.408 5.127 -9.603 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -2.542 7.369 -9.698 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -3.776 7.238 -8.539 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -2.153 7.316 -8.046 1.00 0.00 H new ATOM 814 N ARG A 48 -1.573 6.472 -4.001 1.00 0.00 N ATOM 815 CA ARG A 48 -0.209 7.008 -3.920 1.00 0.00 C ATOM 816 C ARG A 48 0.580 6.078 -3.017 1.00 0.00 C ATOM 817 O ARG A 48 1.676 5.639 -3.369 1.00 0.00 O ATOM 818 CB ARG A 48 -0.184 8.479 -3.427 1.00 0.00 C ATOM 819 CG ARG A 48 0.076 8.717 -1.926 1.00 0.00 C ATOM 820 CD ARG A 48 -0.306 10.067 -1.323 1.00 0.00 C ATOM 821 NE ARG A 48 0.004 9.977 0.118 1.00 0.00 N ATOM 822 CZ ARG A 48 1.150 10.300 0.735 1.00 0.00 C ATOM 823 NH1 ARG A 48 1.955 11.252 0.277 1.00 0.00 N ATOM 824 NH2 ARG A 48 1.494 9.625 1.822 1.00 0.00 N ATOM 0 H ARG A 48 -2.305 7.120 -3.709 1.00 0.00 H new ATOM 0 HA ARG A 48 0.245 7.043 -4.910 1.00 0.00 H new ATOM 0 HB2 ARG A 48 0.583 9.011 -3.991 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -1.141 8.936 -3.680 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -0.456 7.944 -1.371 1.00 0.00 H new ATOM 0 HG3 ARG A 48 1.140 8.563 -1.746 1.00 0.00 H new ATOM 0 HD2 ARG A 48 0.255 10.876 -1.792 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -1.363 10.279 -1.481 1.00 0.00 H new ATOM 0 HE ARG A 48 -0.744 9.627 0.716 1.00 0.00 H new ATOM 0 HH11 ARG A 48 1.709 11.764 -0.570 1.00 0.00 H new ATOM 0 HH12 ARG A 48 2.819 11.471 0.772 1.00 0.00 H new ATOM 0 HH21 ARG A 48 0.892 8.879 2.171 1.00 0.00 H new ATOM 0 HH22 ARG A 48 2.361 9.851 2.310 1.00 0.00 H new ATOM 838 N ASP A 49 -0.050 5.744 -1.896 1.00 0.00 N ATOM 839 CA ASP A 49 0.501 4.994 -0.811 1.00 0.00 C ATOM 840 C ASP A 49 0.606 3.564 -1.266 1.00 0.00 C ATOM 841 O ASP A 49 1.648 2.984 -1.038 1.00 0.00 O ATOM 842 CB ASP A 49 -0.394 5.126 0.430 1.00 0.00 C ATOM 843 CG ASP A 49 0.152 6.076 1.478 1.00 0.00 C ATOM 844 OD1 ASP A 49 0.453 7.236 1.140 1.00 0.00 O ATOM 845 OD2 ASP A 49 0.280 5.661 2.652 1.00 0.00 O ATOM 0 H ASP A 49 -1.019 6.014 -1.726 1.00 0.00 H new ATOM 0 HA ASP A 49 1.487 5.367 -0.533 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -1.381 5.470 0.120 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -0.525 4.141 0.878 1.00 0.00 H new ATOM 850 N ILE A 50 -0.366 2.993 -1.987 1.00 0.00 N ATOM 851 CA ILE A 50 -0.248 1.601 -2.435 1.00 0.00 C ATOM 852 C ILE A 50 1.014 1.496 -3.225 1.00 0.00 C ATOM 853 O ILE A 50 1.876 0.700 -2.916 1.00 0.00 O ATOM 854 CB ILE A 50 -1.427 1.094 -3.304 1.00 0.00 C ATOM 855 CG1 ILE A 50 -2.470 0.506 -2.374 1.00 0.00 C ATOM 856 CG2 ILE A 50 -1.141 -0.026 -4.317 1.00 0.00 C ATOM 857 CD1 ILE A 50 -3.226 1.622 -1.690 1.00 0.00 C ATOM 0 H ILE A 50 -1.227 3.462 -2.268 1.00 0.00 H new ATOM 0 HA ILE A 50 -0.253 0.974 -1.543 1.00 0.00 H new ATOM 0 HB ILE A 50 -1.716 1.974 -3.878 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -3.160 -0.123 -2.936 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -1.991 -0.131 -1.631 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -2.058 -0.276 -4.851 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -0.387 0.311 -5.028 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -0.775 -0.908 -3.791 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -3.975 1.198 -1.022 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -2.531 2.233 -1.114 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -3.718 2.241 -2.440 1.00 0.00 H new ATOM 869 N ALA A 51 1.157 2.315 -4.244 1.00 0.00 N ATOM 870 CA ALA A 51 2.260 2.141 -5.145 1.00 0.00 C ATOM 871 C ALA A 51 3.586 2.617 -4.513 1.00 0.00 C ATOM 872 O ALA A 51 4.645 2.525 -5.136 1.00 0.00 O ATOM 873 CB ALA A 51 1.815 2.886 -6.390 1.00 0.00 C ATOM 0 H ALA A 51 0.533 3.092 -4.462 1.00 0.00 H new ATOM 0 HA ALA A 51 2.489 1.104 -5.389 1.00 0.00 H new ATOM 0 HB1 ALA A 51 2.591 2.817 -7.152 1.00 0.00 H new ATOM 0 HB2 ALA A 51 0.894 2.443 -6.769 1.00 0.00 H new ATOM 0 HB3 ALA A 51 1.640 3.933 -6.144 1.00 0.00 H new ATOM 879 N ARG A 52 3.561 3.114 -3.272 1.00 0.00 N ATOM 880 CA ARG A 52 4.718 3.238 -2.391 1.00 0.00 C ATOM 881 C ARG A 52 4.894 1.988 -1.520 1.00 0.00 C ATOM 882 O ARG A 52 5.885 1.281 -1.698 1.00 0.00 O ATOM 883 CB ARG A 52 4.564 4.567 -1.620 1.00 0.00 C ATOM 884 CG ARG A 52 5.800 5.107 -0.894 1.00 0.00 C ATOM 885 CD ARG A 52 6.051 4.473 0.475 1.00 0.00 C ATOM 886 NE ARG A 52 7.047 5.263 1.228 1.00 0.00 N ATOM 887 CZ ARG A 52 6.819 6.247 2.117 1.00 0.00 C ATOM 888 NH1 ARG A 52 5.603 6.606 2.494 1.00 0.00 N ATOM 889 NH2 ARG A 52 7.828 6.907 2.660 1.00 0.00 N ATOM 0 H ARG A 52 2.701 3.452 -2.841 1.00 0.00 H new ATOM 0 HA ARG A 52 5.653 3.285 -2.949 1.00 0.00 H new ATOM 0 HB2 ARG A 52 4.227 5.328 -2.324 1.00 0.00 H new ATOM 0 HB3 ARG A 52 3.770 4.440 -0.884 1.00 0.00 H new ATOM 0 HG2 ARG A 52 6.676 4.946 -1.522 1.00 0.00 H new ATOM 0 HG3 ARG A 52 5.692 6.184 -0.768 1.00 0.00 H new ATOM 0 HD2 ARG A 52 5.118 4.421 1.036 1.00 0.00 H new ATOM 0 HD3 ARG A 52 6.406 3.450 0.351 1.00 0.00 H new ATOM 0 HE ARG A 52 8.026 5.035 1.053 1.00 0.00 H new ATOM 0 HH11 ARG A 52 4.788 6.130 2.107 1.00 0.00 H new ATOM 0 HH12 ARG A 52 5.480 7.359 3.172 1.00 0.00 H new ATOM 0 HH21 ARG A 52 8.787 6.671 2.406 1.00 0.00 H new ATOM 0 HH22 ARG A 52 7.647 7.652 3.333 1.00 0.00 H new ATOM 903 N ILE A 53 3.962 1.701 -0.616 1.00 0.00 N ATOM 904 CA ILE A 53 3.888 0.545 0.268 1.00 0.00 C ATOM 905 C ILE A 53 4.024 -0.756 -0.490 1.00 0.00 C ATOM 906 O ILE A 53 4.951 -1.511 -0.235 1.00 0.00 O ATOM 907 CB ILE A 53 2.584 0.631 1.094 1.00 0.00 C ATOM 908 CG1 ILE A 53 2.726 1.665 2.226 1.00 0.00 C ATOM 909 CG2 ILE A 53 2.206 -0.716 1.700 1.00 0.00 C ATOM 910 CD1 ILE A 53 1.993 2.962 1.929 1.00 0.00 C ATOM 0 H ILE A 53 3.170 2.328 -0.472 1.00 0.00 H new ATOM 0 HA ILE A 53 4.732 0.559 0.957 1.00 0.00 H new ATOM 0 HB ILE A 53 1.795 0.938 0.408 1.00 0.00 H new ATOM 0 HG12 ILE A 53 2.341 1.239 3.153 1.00 0.00 H new ATOM 0 HG13 ILE A 53 3.783 1.878 2.388 1.00 0.00 H new ATOM 0 HG21 ILE A 53 1.284 -0.612 2.272 1.00 0.00 H new ATOM 0 HG22 ILE A 53 2.058 -1.445 0.903 1.00 0.00 H new ATOM 0 HG23 ILE A 53 3.005 -1.056 2.358 1.00 0.00 H new ATOM 0 HD11 ILE A 53 2.127 3.654 2.760 1.00 0.00 H new ATOM 0 HD12 ILE A 53 2.394 3.406 1.018 1.00 0.00 H new ATOM 0 HD13 ILE A 53 0.931 2.757 1.795 1.00 0.00 H new ATOM 922 N LYS A 54 3.134 -1.045 -1.423 1.00 0.00 N ATOM 923 CA LYS A 54 3.130 -2.306 -2.134 1.00 0.00 C ATOM 924 C LYS A 54 4.499 -2.548 -2.776 1.00 0.00 C ATOM 925 O LYS A 54 4.987 -3.677 -2.811 1.00 0.00 O ATOM 926 CB LYS A 54 1.914 -2.376 -3.098 1.00 0.00 C ATOM 927 CG LYS A 54 2.148 -1.803 -4.517 1.00 0.00 C ATOM 928 CD LYS A 54 2.754 -2.830 -5.489 1.00 0.00 C ATOM 929 CE LYS A 54 2.501 -2.462 -6.955 1.00 0.00 C ATOM 930 NZ LYS A 54 3.551 -1.588 -7.517 1.00 0.00 N ATOM 0 H LYS A 54 2.391 -0.407 -1.708 1.00 0.00 H new ATOM 0 HA LYS A 54 2.988 -3.141 -1.448 1.00 0.00 H new ATOM 0 HB2 LYS A 54 1.609 -3.418 -3.193 1.00 0.00 H new ATOM 0 HB3 LYS A 54 1.081 -1.840 -2.642 1.00 0.00 H new ATOM 0 HG2 LYS A 54 1.200 -1.446 -4.919 1.00 0.00 H new ATOM 0 HG3 LYS A 54 2.811 -0.940 -4.449 1.00 0.00 H new ATOM 0 HD2 LYS A 54 3.828 -2.902 -5.315 1.00 0.00 H new ATOM 0 HD3 LYS A 54 2.331 -3.814 -5.285 1.00 0.00 H new ATOM 0 HE2 LYS A 54 2.439 -3.374 -7.548 1.00 0.00 H new ATOM 0 HE3 LYS A 54 1.536 -1.962 -7.038 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 3.115 -0.729 -7.909 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 4.222 -1.325 -6.767 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 4.057 -2.094 -8.272 1.00 0.00 H new ATOM 944 N THR A 55 5.168 -1.475 -3.207 1.00 0.00 N ATOM 945 CA THR A 55 6.498 -1.552 -3.760 1.00 0.00 C ATOM 946 C THR A 55 7.570 -1.783 -2.681 1.00 0.00 C ATOM 947 O THR A 55 8.568 -2.408 -3.007 1.00 0.00 O ATOM 948 CB THR A 55 6.687 -0.277 -4.580 1.00 0.00 C ATOM 949 OG1 THR A 55 5.891 -0.369 -5.753 1.00 0.00 O ATOM 950 CG2 THR A 55 8.140 0.036 -4.923 1.00 0.00 C ATOM 0 H THR A 55 4.789 -0.529 -3.176 1.00 0.00 H new ATOM 0 HA THR A 55 6.618 -2.422 -4.406 1.00 0.00 H new ATOM 0 HB THR A 55 6.363 0.560 -3.961 1.00 0.00 H new ATOM 0 HG1 THR A 55 5.348 0.442 -5.844 1.00 0.00 H new ATOM 0 HG21 THR A 55 8.186 0.956 -5.506 1.00 0.00 H new ATOM 0 HG22 THR A 55 8.712 0.160 -4.004 1.00 0.00 H new ATOM 0 HG23 THR A 55 8.561 -0.784 -5.505 1.00 0.00 H new ATOM 958 N ILE A 56 7.419 -1.364 -1.416 1.00 0.00 N ATOM 959 CA ILE A 56 8.365 -1.716 -0.344 1.00 0.00 C ATOM 960 C ILE A 56 8.539 -3.226 -0.264 1.00 0.00 C ATOM 961 O ILE A 56 9.674 -3.693 -0.196 1.00 0.00 O ATOM 962 CB ILE A 56 7.961 -1.115 1.023 1.00 0.00 C ATOM 963 CG1 ILE A 56 8.240 0.398 1.022 1.00 0.00 C ATOM 964 CG2 ILE A 56 8.623 -1.798 2.243 1.00 0.00 C ATOM 965 CD1 ILE A 56 9.662 0.752 1.462 1.00 0.00 C ATOM 0 H ILE A 56 6.645 -0.776 -1.108 1.00 0.00 H new ATOM 0 HA ILE A 56 9.327 -1.272 -0.598 1.00 0.00 H new ATOM 0 HB ILE A 56 6.894 -1.303 1.140 1.00 0.00 H new ATOM 0 HG12 ILE A 56 8.069 0.791 0.020 1.00 0.00 H new ATOM 0 HG13 ILE A 56 7.529 0.892 1.684 1.00 0.00 H new ATOM 0 HG21 ILE A 56 8.284 -1.314 3.159 1.00 0.00 H new ATOM 0 HG22 ILE A 56 8.345 -2.852 2.265 1.00 0.00 H new ATOM 0 HG23 ILE A 56 9.707 -1.710 2.166 1.00 0.00 H new ATOM 0 HD11 ILE A 56 9.791 1.834 1.438 1.00 0.00 H new ATOM 0 HD12 ILE A 56 9.830 0.388 2.476 1.00 0.00 H new ATOM 0 HD13 ILE A 56 10.379 0.286 0.786 1.00 0.00 H new ATOM 977 N LEU A 57 7.432 -3.968 -0.312 1.00 0.00 N ATOM 978 CA LEU A 57 7.474 -5.427 -0.335 1.00 0.00 C ATOM 979 C LEU A 57 8.273 -5.883 -1.551 1.00 0.00 C ATOM 980 O LEU A 57 9.263 -6.583 -1.418 1.00 0.00 O ATOM 981 CB LEU A 57 6.049 -5.996 -0.273 1.00 0.00 C ATOM 982 CG LEU A 57 5.917 -7.483 -0.625 1.00 0.00 C ATOM 983 CD1 LEU A 57 6.931 -8.324 0.137 1.00 0.00 C ATOM 984 CD2 LEU A 57 4.494 -7.927 -0.270 1.00 0.00 C ATOM 0 H LEU A 57 6.490 -3.577 -0.336 1.00 0.00 H new ATOM 0 HA LEU A 57 7.987 -5.818 0.544 1.00 0.00 H new ATOM 0 HB2 LEU A 57 5.658 -5.842 0.733 1.00 0.00 H new ATOM 0 HB3 LEU A 57 5.417 -5.422 -0.951 1.00 0.00 H new ATOM 0 HG LEU A 57 6.112 -7.624 -1.688 1.00 0.00 H new ATOM 0 HD11 LEU A 57 6.811 -9.373 -0.135 1.00 0.00 H new ATOM 0 HD12 LEU A 57 7.939 -7.996 -0.116 1.00 0.00 H new ATOM 0 HD13 LEU A 57 6.770 -8.206 1.209 1.00 0.00 H new ATOM 0 HD21 LEU A 57 4.372 -8.983 -0.511 1.00 0.00 H new ATOM 0 HD22 LEU A 57 4.321 -7.775 0.795 1.00 0.00 H new ATOM 0 HD23 LEU A 57 3.776 -7.339 -0.842 1.00 0.00 H new ATOM 996 N ARG A 58 7.903 -5.409 -2.732 1.00 0.00 N ATOM 997 CA ARG A 58 8.587 -5.708 -3.997 1.00 0.00 C ATOM 998 C ARG A 58 10.102 -5.535 -3.857 1.00 0.00 C ATOM 999 O ARG A 58 10.880 -6.422 -4.181 1.00 0.00 O ATOM 1000 CB ARG A 58 8.028 -4.824 -5.122 1.00 0.00 C ATOM 1001 CG ARG A 58 7.996 -5.516 -6.491 1.00 0.00 C ATOM 1002 CD ARG A 58 9.351 -6.127 -6.886 1.00 0.00 C ATOM 1003 NE ARG A 58 9.497 -6.257 -8.337 1.00 0.00 N ATOM 1004 CZ ARG A 58 9.704 -5.284 -9.229 1.00 0.00 C ATOM 1005 NH1 ARG A 58 9.868 -4.017 -8.860 1.00 0.00 N ATOM 1006 NH2 ARG A 58 9.751 -5.592 -10.513 1.00 0.00 N ATOM 0 H ARG A 58 7.100 -4.790 -2.848 1.00 0.00 H new ATOM 0 HA ARG A 58 8.400 -6.751 -4.254 1.00 0.00 H new ATOM 0 HB2 ARG A 58 7.017 -4.512 -4.859 1.00 0.00 H new ATOM 0 HB3 ARG A 58 8.632 -3.920 -5.196 1.00 0.00 H new ATOM 0 HG2 ARG A 58 7.240 -6.301 -6.478 1.00 0.00 H new ATOM 0 HG3 ARG A 58 7.694 -4.794 -7.250 1.00 0.00 H new ATOM 0 HD2 ARG A 58 10.156 -5.504 -6.496 1.00 0.00 H new ATOM 0 HD3 ARG A 58 9.454 -7.108 -6.423 1.00 0.00 H new ATOM 0 HE ARG A 58 9.433 -7.204 -8.712 1.00 0.00 H new ATOM 0 HH11 ARG A 58 9.837 -3.766 -7.872 1.00 0.00 H new ATOM 0 HH12 ARG A 58 10.024 -3.297 -9.565 1.00 0.00 H new ATOM 0 HH21 ARG A 58 9.630 -6.560 -10.810 1.00 0.00 H new ATOM 0 HH22 ARG A 58 9.908 -4.861 -11.207 1.00 0.00 H new ATOM 1020 N GLU A 59 10.528 -4.378 -3.370 1.00 0.00 N ATOM 1021 CA GLU A 59 11.924 -4.010 -3.126 1.00 0.00 C ATOM 1022 C GLU A 59 12.579 -4.934 -2.091 1.00 0.00 C ATOM 1023 O GLU A 59 13.800 -5.039 -2.075 1.00 0.00 O ATOM 1024 CB GLU A 59 11.988 -2.553 -2.638 1.00 0.00 C ATOM 1025 CG GLU A 59 11.359 -1.546 -3.615 1.00 0.00 C ATOM 1026 CD GLU A 59 12.350 -0.662 -4.368 1.00 0.00 C ATOM 1027 OE1 GLU A 59 12.771 0.372 -3.791 1.00 0.00 O ATOM 1028 OE2 GLU A 59 12.624 -0.950 -5.556 1.00 0.00 O ATOM 0 H GLU A 59 9.881 -3.630 -3.121 1.00 0.00 H new ATOM 0 HA GLU A 59 12.474 -4.116 -4.061 1.00 0.00 H new ATOM 0 HB2 GLU A 59 11.480 -2.479 -1.676 1.00 0.00 H new ATOM 0 HB3 GLU A 59 13.030 -2.281 -2.470 1.00 0.00 H new ATOM 0 HG2 GLU A 59 10.762 -2.095 -4.343 1.00 0.00 H new ATOM 0 HG3 GLU A 59 10.675 -0.905 -3.060 1.00 0.00 H new ATOM 1035 N ARG A 60 11.820 -5.603 -1.229 1.00 0.00 N ATOM 1036 CA ARG A 60 12.332 -6.630 -0.317 1.00 0.00 C ATOM 1037 C ARG A 60 12.373 -8.018 -0.950 1.00 0.00 C ATOM 1038 O ARG A 60 13.183 -8.820 -0.497 1.00 0.00 O ATOM 1039 CB ARG A 60 11.545 -6.640 1.011 1.00 0.00 C ATOM 1040 CG ARG A 60 11.920 -5.423 1.870 1.00 0.00 C ATOM 1041 CD ARG A 60 11.144 -5.329 3.191 1.00 0.00 C ATOM 1042 NE ARG A 60 11.415 -6.418 4.149 1.00 0.00 N ATOM 1043 CZ ARG A 60 12.141 -6.308 5.273 1.00 0.00 C ATOM 1044 NH1 ARG A 60 13.133 -5.430 5.367 1.00 0.00 N ATOM 1045 NH2 ARG A 60 11.850 -7.054 6.327 1.00 0.00 N ATOM 0 H ARG A 60 10.816 -5.447 -1.140 1.00 0.00 H new ATOM 0 HA ARG A 60 13.366 -6.363 -0.098 1.00 0.00 H new ATOM 0 HB2 ARG A 60 10.475 -6.631 0.806 1.00 0.00 H new ATOM 0 HB3 ARG A 60 11.757 -7.558 1.559 1.00 0.00 H new ATOM 0 HG2 ARG A 60 12.987 -5.461 2.089 1.00 0.00 H new ATOM 0 HG3 ARG A 60 11.745 -4.515 1.292 1.00 0.00 H new ATOM 0 HD2 ARG A 60 11.381 -4.378 3.668 1.00 0.00 H new ATOM 0 HD3 ARG A 60 10.077 -5.317 2.969 1.00 0.00 H new ATOM 0 HE ARG A 60 11.016 -7.333 3.939 1.00 0.00 H new ATOM 0 HH11 ARG A 60 13.355 -4.824 4.577 1.00 0.00 H new ATOM 0 HH12 ARG A 60 13.673 -5.361 6.229 1.00 0.00 H new ATOM 0 HH21 ARG A 60 11.073 -7.714 6.286 1.00 0.00 H new ATOM 0 HH22 ARG A 60 12.403 -6.969 7.180 1.00 0.00 H new ATOM 1059 N GLU A 61 11.620 -8.265 -2.026 1.00 0.00 N ATOM 1060 CA GLU A 61 11.655 -9.530 -2.758 1.00 0.00 C ATOM 1061 C GLU A 61 13.043 -9.677 -3.386 1.00 0.00 C ATOM 1062 O GLU A 61 13.744 -10.651 -3.116 1.00 0.00 O ATOM 1063 CB GLU A 61 10.552 -9.660 -3.837 1.00 0.00 C ATOM 1064 CG GLU A 61 9.105 -9.468 -3.365 1.00 0.00 C ATOM 1065 CD GLU A 61 8.084 -9.806 -4.464 1.00 0.00 C ATOM 1066 OE1 GLU A 61 7.852 -8.991 -5.390 1.00 0.00 O ATOM 1067 OE2 GLU A 61 7.475 -10.899 -4.423 1.00 0.00 O ATOM 0 H GLU A 61 10.965 -7.586 -2.415 1.00 0.00 H new ATOM 0 HA GLU A 61 11.455 -10.332 -2.048 1.00 0.00 H new ATOM 0 HB2 GLU A 61 10.754 -8.930 -4.621 1.00 0.00 H new ATOM 0 HB3 GLU A 61 10.634 -10.647 -4.291 1.00 0.00 H new ATOM 0 HG2 GLU A 61 8.922 -10.099 -2.495 1.00 0.00 H new ATOM 0 HG3 GLU A 61 8.963 -8.436 -3.045 1.00 0.00 H new ATOM 1074 N LEU A 62 13.482 -8.715 -4.216 1.00 0.00 N ATOM 1075 CA LEU A 62 14.789 -8.828 -4.841 1.00 0.00 C ATOM 1076 C LEU A 62 15.900 -8.573 -3.817 1.00 0.00 C ATOM 1077 O LEU A 62 17.006 -9.097 -3.969 1.00 0.00 O ATOM 1078 CB LEU A 62 14.966 -7.886 -6.049 1.00 0.00 C ATOM 1079 CG LEU A 62 13.749 -7.438 -6.885 1.00 0.00 C ATOM 1080 CD1 LEU A 62 12.639 -8.467 -7.112 1.00 0.00 C ATOM 1081 CD2 LEU A 62 13.190 -6.105 -6.388 1.00 0.00 C ATOM 0 H LEU A 62 12.958 -7.874 -4.459 1.00 0.00 H new ATOM 0 HA LEU A 62 14.860 -9.849 -5.217 1.00 0.00 H new ATOM 0 HB2 LEU A 62 15.453 -6.982 -5.682 1.00 0.00 H new ATOM 0 HB3 LEU A 62 15.664 -8.369 -6.733 1.00 0.00 H new ATOM 0 HG LEU A 62 14.169 -7.312 -7.883 1.00 0.00 H new ATOM 0 HD11 LEU A 62 11.847 -8.021 -7.714 1.00 0.00 H new ATOM 0 HD12 LEU A 62 13.047 -9.333 -7.633 1.00 0.00 H new ATOM 0 HD13 LEU A 62 12.232 -8.781 -6.151 1.00 0.00 H new ATOM 0 HD21 LEU A 62 12.334 -5.819 -6.999 1.00 0.00 H new ATOM 0 HD22 LEU A 62 12.877 -6.207 -5.349 1.00 0.00 H new ATOM 0 HD23 LEU A 62 13.960 -5.337 -6.461 1.00 0.00 H new ATOM 1093 N GLY A 63 15.649 -7.744 -2.802 1.00 0.00 N ATOM 1094 CA GLY A 63 16.666 -7.244 -1.888 1.00 0.00 C ATOM 1095 C GLY A 63 17.292 -5.965 -2.439 1.00 0.00 C ATOM 1096 O GLY A 63 18.479 -5.921 -2.779 1.00 0.00 O ATOM 0 H GLY A 63 14.713 -7.397 -2.592 1.00 0.00 H new ATOM 0 HA2 GLY A 63 16.223 -7.048 -0.912 1.00 0.00 H new ATOM 0 HA3 GLY A 63 17.437 -8.001 -1.742 1.00 0.00 H new ATOM 1100 N ILE A 64 16.472 -4.926 -2.567 1.00 0.00 N ATOM 1101 CA ILE A 64 16.784 -3.532 -2.816 1.00 0.00 C ATOM 1102 C ILE A 64 16.696 -2.745 -1.504 1.00 0.00 C ATOM 1103 O ILE A 64 17.366 -1.722 -1.327 1.00 0.00 O ATOM 1104 CB ILE A 64 15.753 -3.017 -3.844 1.00 0.00 C ATOM 1105 CG1 ILE A 64 15.762 -3.804 -5.163 1.00 0.00 C ATOM 1106 CG2 ILE A 64 15.873 -1.519 -4.109 1.00 0.00 C ATOM 1107 CD1 ILE A 64 17.085 -3.775 -5.919 1.00 0.00 C ATOM 0 H ILE A 64 15.464 -5.061 -2.489 1.00 0.00 H new ATOM 0 HA ILE A 64 17.795 -3.409 -3.205 1.00 0.00 H new ATOM 0 HB ILE A 64 14.786 -3.192 -3.372 1.00 0.00 H new ATOM 0 HG12 ILE A 64 15.504 -4.842 -4.952 1.00 0.00 H new ATOM 0 HG13 ILE A 64 14.981 -3.407 -5.811 1.00 0.00 H new ATOM 0 HG21 ILE A 64 15.122 -1.217 -4.839 1.00 0.00 H new ATOM 0 HG22 ILE A 64 15.716 -0.971 -3.180 1.00 0.00 H new ATOM 0 HG23 ILE A 64 16.867 -1.297 -4.497 1.00 0.00 H new ATOM 0 HD11 ILE A 64 16.993 -4.358 -6.836 1.00 0.00 H new ATOM 0 HD12 ILE A 64 17.339 -2.745 -6.168 1.00 0.00 H new ATOM 0 HD13 ILE A 64 17.870 -4.202 -5.295 1.00 0.00 H new