USER MOD reduce.3.24.130724 H: found=0, std=0, add=580, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 581 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 29 ASN : amide:sc= 0.567 X(o=1.2,f=1.4) USER MOD Set 1.2: A 30 SER OG : rot 49:sc= 0.623 USER MOD Single : A 4 HIS : no HD1:sc= 0.242 K(o=0.24,f=-3!) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 TYR OH : rot 15:sc= 0.878 USER MOD Single : A 9 TYR OH : rot 180:sc= -0.123 USER MOD Single : A 13 ASN : amide:sc= 0.272 X(o=0.27,f=-0.06) USER MOD Single : A 14 ASN : amide:sc= -0.988 K(o=-0.99,f=-4.2!) USER MOD Single : A 16 LYS NZ :NH3+ -130:sc= 0 (180deg=-0.0286) USER MOD Single : A 17 TYR OH : rot -126:sc= 1.47 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ 176:sc= 1.18 (180deg=1.09) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 1.2 (180deg=1.2) USER MOD Single : A 34 TYR OH : rot 60:sc= 0.827 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 180:sc=0.000641 USER MOD Single : A 39 HIS : no HD1:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 LYS NZ :NH3+ -165:sc= -0.0476 (180deg=-0.269) USER MOD Single : A 47 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 MET CE :methyl -168:sc= -0.0233 (180deg=-0.213) USER MOD Single : A 55 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 THR OG1 : rot 95:sc= 1.19 USER MOD ----------------------------------------------------------------- ATOM 61 N HIS A 4 -3.475 15.237 -8.516 1.00 0.00 N ATOM 62 CA HIS A 4 -4.273 13.993 -8.426 1.00 0.00 C ATOM 63 C HIS A 4 -3.600 12.875 -7.651 1.00 0.00 C ATOM 64 O HIS A 4 -4.000 11.740 -7.777 1.00 0.00 O ATOM 65 CB HIS A 4 -4.645 13.462 -9.821 1.00 0.00 C ATOM 66 CG HIS A 4 -5.617 14.293 -10.579 1.00 0.00 C ATOM 67 ND1 HIS A 4 -5.379 14.759 -11.849 1.00 0.00 N ATOM 68 CD2 HIS A 4 -6.867 14.682 -10.272 1.00 0.00 C ATOM 69 CE1 HIS A 4 -6.435 15.395 -12.282 1.00 0.00 C ATOM 70 NE2 HIS A 4 -7.355 15.362 -11.345 1.00 0.00 N ATOM 0 HA HIS A 4 -5.167 14.285 -7.874 1.00 0.00 H new ATOM 0 HB2 HIS A 4 -3.733 13.369 -10.411 1.00 0.00 H new ATOM 0 HB3 HIS A 4 -5.057 12.459 -9.712 1.00 0.00 H new ATOM 0 HD2 HIS A 4 -7.387 14.490 -9.345 1.00 0.00 H new ATOM 0 HE1 HIS A 4 -6.535 15.868 -13.248 1.00 0.00 H new ATOM 0 HE2 HIS A 4 -8.284 15.778 -11.411 1.00 0.00 H new ATOM 79 N GLY A 5 -2.643 13.178 -6.832 1.00 0.00 N ATOM 80 CA GLY A 5 -1.946 12.127 -6.162 1.00 0.00 C ATOM 81 C GLY A 5 -1.239 12.610 -4.956 1.00 0.00 C ATOM 82 O GLY A 5 -0.385 13.494 -5.046 1.00 0.00 O ATOM 0 H GLY A 5 -2.331 14.124 -6.614 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -2.652 11.346 -5.880 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -1.228 11.675 -6.846 1.00 0.00 H new ATOM 86 N LYS A 6 -1.582 12.060 -3.829 1.00 0.00 N ATOM 87 CA LYS A 6 -0.962 12.436 -2.583 1.00 0.00 C ATOM 88 C LYS A 6 -0.373 11.207 -1.924 1.00 0.00 C ATOM 89 O LYS A 6 -0.791 10.087 -2.222 1.00 0.00 O ATOM 90 CB LYS A 6 -1.968 13.133 -1.648 1.00 0.00 C ATOM 91 CG LYS A 6 -3.161 12.283 -1.229 1.00 0.00 C ATOM 92 CD LYS A 6 -4.095 13.070 -0.323 1.00 0.00 C ATOM 93 CE LYS A 6 -5.271 12.226 0.140 1.00 0.00 C ATOM 94 NZ LYS A 6 -6.195 12.999 0.996 1.00 0.00 N ATOM 0 H LYS A 6 -2.298 11.339 -3.742 1.00 0.00 H new ATOM 0 HA LYS A 6 -0.164 13.149 -2.788 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -1.441 13.458 -0.751 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -2.338 14.031 -2.143 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -3.703 11.948 -2.114 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -2.812 11.390 -0.711 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -3.542 13.431 0.544 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -4.463 13.948 -0.854 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -5.810 11.846 -0.728 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -4.903 11.360 0.691 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -6.985 12.391 1.293 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -5.686 13.340 1.836 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -6.565 13.811 0.462 1.00 0.00 H new ATOM 108 N TYR A 7 0.580 11.402 -1.062 1.00 0.00 N ATOM 109 CA TYR A 7 1.219 10.302 -0.386 1.00 0.00 C ATOM 110 C TYR A 7 0.634 10.081 0.975 1.00 0.00 C ATOM 111 O TYR A 7 0.462 11.029 1.751 1.00 0.00 O ATOM 112 CB TYR A 7 2.716 10.521 -0.258 1.00 0.00 C ATOM 113 CG TYR A 7 3.475 10.386 -1.544 1.00 0.00 C ATOM 114 CD1 TYR A 7 3.855 9.134 -2.001 1.00 0.00 C ATOM 115 CD2 TYR A 7 3.819 11.495 -2.301 1.00 0.00 C ATOM 116 CE1 TYR A 7 4.553 8.986 -3.171 1.00 0.00 C ATOM 117 CE2 TYR A 7 4.520 11.355 -3.478 1.00 0.00 C ATOM 118 CZ TYR A 7 4.884 10.095 -3.906 1.00 0.00 C ATOM 119 OH TYR A 7 5.567 9.944 -5.080 1.00 0.00 O ATOM 0 H TYR A 7 0.938 12.322 -0.805 1.00 0.00 H new ATOM 0 HA TYR A 7 1.042 9.416 -0.996 1.00 0.00 H new ATOM 0 HB2 TYR A 7 2.891 11.516 0.150 1.00 0.00 H new ATOM 0 HB3 TYR A 7 3.115 9.806 0.462 1.00 0.00 H new ATOM 0 HD1 TYR A 7 3.596 8.258 -1.424 1.00 0.00 H new ATOM 0 HD2 TYR A 7 3.534 12.481 -1.964 1.00 0.00 H new ATOM 0 HE1 TYR A 7 4.840 8.002 -3.512 1.00 0.00 H new ATOM 0 HE2 TYR A 7 4.783 12.225 -4.062 1.00 0.00 H new ATOM 0 HH TYR A 7 5.529 9.006 -5.362 1.00 0.00 H new ATOM 129 N VAL A 8 0.309 8.856 1.250 1.00 0.00 N ATOM 130 CA VAL A 8 -0.178 8.440 2.542 1.00 0.00 C ATOM 131 C VAL A 8 0.559 7.160 2.904 1.00 0.00 C ATOM 132 O VAL A 8 1.396 6.691 2.123 1.00 0.00 O ATOM 133 CB VAL A 8 -1.727 8.182 2.567 1.00 0.00 C ATOM 134 CG1 VAL A 8 -2.519 9.406 2.119 1.00 0.00 C ATOM 135 CG2 VAL A 8 -2.105 6.967 1.741 1.00 0.00 C ATOM 0 H VAL A 8 0.374 8.096 0.573 1.00 0.00 H new ATOM 0 HA VAL A 8 0.005 9.241 3.259 1.00 0.00 H new ATOM 0 HB VAL A 8 -1.992 7.980 3.605 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -3.585 9.182 2.152 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -2.303 10.242 2.784 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -2.235 9.670 1.100 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -3.184 6.820 1.782 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -1.799 7.121 0.706 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -1.604 6.085 2.140 1.00 0.00 H new ATOM 145 N TYR A 9 0.277 6.603 4.039 1.00 0.00 N ATOM 146 CA TYR A 9 0.908 5.375 4.436 1.00 0.00 C ATOM 147 C TYR A 9 -0.115 4.317 4.649 1.00 0.00 C ATOM 148 O TYR A 9 -1.218 4.591 5.106 1.00 0.00 O ATOM 149 CB TYR A 9 1.719 5.540 5.710 1.00 0.00 C ATOM 150 CG TYR A 9 3.004 6.305 5.559 1.00 0.00 C ATOM 151 CD1 TYR A 9 3.013 7.684 5.517 1.00 0.00 C ATOM 152 CD2 TYR A 9 4.219 5.642 5.487 1.00 0.00 C ATOM 153 CE1 TYR A 9 4.188 8.382 5.404 1.00 0.00 C ATOM 154 CE2 TYR A 9 5.399 6.335 5.383 1.00 0.00 C ATOM 155 CZ TYR A 9 5.376 7.704 5.339 1.00 0.00 C ATOM 156 OH TYR A 9 6.549 8.403 5.241 1.00 0.00 O ATOM 0 H TYR A 9 -0.390 6.978 4.714 1.00 0.00 H new ATOM 0 HA TYR A 9 1.585 5.088 3.631 1.00 0.00 H new ATOM 0 HB2 TYR A 9 1.100 6.044 6.452 1.00 0.00 H new ATOM 0 HB3 TYR A 9 1.949 4.551 6.106 1.00 0.00 H new ATOM 0 HD1 TYR A 9 2.079 8.223 5.574 1.00 0.00 H new ATOM 0 HD2 TYR A 9 4.237 4.562 5.513 1.00 0.00 H new ATOM 0 HE1 TYR A 9 4.176 9.461 5.366 1.00 0.00 H new ATOM 0 HE2 TYR A 9 6.339 5.805 5.336 1.00 0.00 H new ATOM 0 HH TYR A 9 7.301 7.776 5.206 1.00 0.00 H new ATOM 166 N ILE A 10 0.221 3.130 4.300 1.00 0.00 N ATOM 167 CA ILE A 10 -0.644 2.026 4.559 1.00 0.00 C ATOM 168 C ILE A 10 -0.279 1.436 5.901 1.00 0.00 C ATOM 169 O ILE A 10 0.905 1.125 6.157 1.00 0.00 O ATOM 170 CB ILE A 10 -0.589 0.939 3.446 1.00 0.00 C ATOM 171 CG1 ILE A 10 -0.969 1.535 2.084 1.00 0.00 C ATOM 172 CG2 ILE A 10 -1.472 -0.268 3.773 1.00 0.00 C ATOM 173 CD1 ILE A 10 -2.315 2.228 2.065 1.00 0.00 C ATOM 0 H ILE A 10 1.094 2.891 3.830 1.00 0.00 H new ATOM 0 HA ILE A 10 -1.671 2.392 4.569 1.00 0.00 H new ATOM 0 HB ILE A 10 0.440 0.582 3.397 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -0.201 2.248 1.785 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -0.972 0.739 1.339 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -1.401 -0.999 2.968 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -1.137 -0.722 4.706 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -2.507 0.056 3.878 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -2.508 2.621 1.067 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -3.095 1.515 2.331 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -2.312 3.048 2.783 1.00 0.00 H new ATOM 185 N ASP A 11 -1.268 1.322 6.765 1.00 0.00 N ATOM 186 CA ASP A 11 -1.086 0.765 8.085 1.00 0.00 C ATOM 187 C ASP A 11 -0.953 -0.723 7.979 1.00 0.00 C ATOM 188 O ASP A 11 -1.931 -1.462 8.011 1.00 0.00 O ATOM 189 CB ASP A 11 -2.222 1.155 9.058 1.00 0.00 C ATOM 190 CG ASP A 11 -2.075 0.529 10.455 1.00 0.00 C ATOM 191 OD1 ASP A 11 -1.188 0.957 11.237 1.00 0.00 O ATOM 192 OD2 ASP A 11 -2.847 -0.372 10.796 1.00 0.00 O ATOM 0 H ASP A 11 -2.225 1.616 6.567 1.00 0.00 H new ATOM 0 HA ASP A 11 -0.173 1.186 8.505 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -2.249 2.240 9.156 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -3.177 0.849 8.630 1.00 0.00 H new ATOM 197 N LEU A 12 0.250 -1.138 7.679 1.00 0.00 N ATOM 198 CA LEU A 12 0.603 -2.533 7.628 1.00 0.00 C ATOM 199 C LEU A 12 0.607 -3.022 9.048 1.00 0.00 C ATOM 200 O LEU A 12 0.185 -4.146 9.355 1.00 0.00 O ATOM 201 CB LEU A 12 1.994 -2.678 7.038 1.00 0.00 C ATOM 202 CG LEU A 12 2.244 -2.026 5.683 1.00 0.00 C ATOM 203 CD1 LEU A 12 3.715 -2.128 5.339 1.00 0.00 C ATOM 204 CD2 LEU A 12 1.395 -2.683 4.598 1.00 0.00 C ATOM 0 H LEU A 12 1.022 -0.509 7.460 1.00 0.00 H new ATOM 0 HA LEU A 12 -0.096 -3.101 7.014 1.00 0.00 H new ATOM 0 HB2 LEU A 12 2.708 -2.264 7.750 1.00 0.00 H new ATOM 0 HB3 LEU A 12 2.214 -3.742 6.948 1.00 0.00 H new ATOM 0 HG LEU A 12 1.959 -0.975 5.739 1.00 0.00 H new ATOM 0 HD11 LEU A 12 3.895 -1.662 4.370 1.00 0.00 H new ATOM 0 HD12 LEU A 12 4.303 -1.618 6.102 1.00 0.00 H new ATOM 0 HD13 LEU A 12 4.007 -3.177 5.297 1.00 0.00 H new ATOM 0 HD21 LEU A 12 1.591 -2.200 3.641 1.00 0.00 H new ATOM 0 HD22 LEU A 12 1.647 -3.741 4.529 1.00 0.00 H new ATOM 0 HD23 LEU A 12 0.339 -2.577 4.848 1.00 0.00 H new ATOM 216 N ASN A 13 1.141 -2.140 9.916 1.00 0.00 N ATOM 217 CA ASN A 13 1.143 -2.292 11.374 1.00 0.00 C ATOM 218 C ASN A 13 2.064 -3.449 11.806 1.00 0.00 C ATOM 219 O ASN A 13 2.122 -3.827 12.968 1.00 0.00 O ATOM 220 CB ASN A 13 -0.315 -2.503 11.862 1.00 0.00 C ATOM 221 CG ASN A 13 -0.525 -2.236 13.331 1.00 0.00 C ATOM 222 OD1 ASN A 13 -0.392 -3.131 14.178 1.00 0.00 O ATOM 223 ND2 ASN A 13 -0.900 -1.026 13.639 1.00 0.00 N ATOM 0 H ASN A 13 1.594 -1.280 9.607 1.00 0.00 H new ATOM 0 HA ASN A 13 1.539 -1.388 11.836 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -0.975 -1.852 11.289 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -0.613 -3.529 11.645 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -1.097 -0.785 14.610 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -0.996 -0.320 12.909 1.00 0.00 H new ATOM 230 N ASN A 14 2.842 -3.943 10.867 1.00 0.00 N ATOM 231 CA ASN A 14 3.691 -5.126 11.069 1.00 0.00 C ATOM 232 C ASN A 14 5.145 -4.729 11.331 1.00 0.00 C ATOM 233 O ASN A 14 6.061 -5.540 11.193 1.00 0.00 O ATOM 234 CB ASN A 14 3.594 -6.054 9.837 1.00 0.00 C ATOM 235 CG ASN A 14 4.195 -5.461 8.563 1.00 0.00 C ATOM 236 OD1 ASN A 14 4.300 -4.253 8.406 1.00 0.00 O ATOM 237 ND2 ASN A 14 4.546 -6.307 7.631 1.00 0.00 N ATOM 0 H ASN A 14 2.913 -3.542 9.932 1.00 0.00 H new ATOM 0 HA ASN A 14 3.333 -5.661 11.949 1.00 0.00 H new ATOM 0 HB2 ASN A 14 4.099 -6.993 10.062 1.00 0.00 H new ATOM 0 HB3 ASN A 14 2.546 -6.292 9.656 1.00 0.00 H new ATOM 0 HD21 ASN A 14 4.919 -5.965 6.745 1.00 0.00 H new ATOM 0 HD22 ASN A 14 4.448 -7.310 7.789 1.00 0.00 H new ATOM 244 N GLY A 15 5.341 -3.499 11.747 1.00 0.00 N ATOM 245 CA GLY A 15 6.681 -3.009 12.032 1.00 0.00 C ATOM 246 C GLY A 15 7.215 -2.114 10.936 1.00 0.00 C ATOM 247 O GLY A 15 8.283 -1.535 11.065 1.00 0.00 O ATOM 0 H GLY A 15 4.597 -2.818 11.897 1.00 0.00 H new ATOM 0 HA2 GLY A 15 6.671 -2.459 12.973 1.00 0.00 H new ATOM 0 HA3 GLY A 15 7.354 -3.856 12.165 1.00 0.00 H new ATOM 251 N LYS A 16 6.477 -2.021 9.852 1.00 0.00 N ATOM 252 CA LYS A 16 6.805 -1.130 8.776 1.00 0.00 C ATOM 253 C LYS A 16 5.550 -0.602 8.139 1.00 0.00 C ATOM 254 O LYS A 16 4.462 -1.145 8.358 1.00 0.00 O ATOM 255 CB LYS A 16 7.794 -1.727 7.720 1.00 0.00 C ATOM 256 CG LYS A 16 7.518 -3.148 7.206 1.00 0.00 C ATOM 257 CD LYS A 16 7.951 -4.211 8.220 1.00 0.00 C ATOM 258 CE LYS A 16 7.876 -5.629 7.665 1.00 0.00 C ATOM 259 NZ LYS A 16 8.917 -5.896 6.644 1.00 0.00 N ATOM 0 H LYS A 16 5.629 -2.567 9.697 1.00 0.00 H new ATOM 0 HA LYS A 16 7.355 -0.300 9.220 1.00 0.00 H new ATOM 0 HB2 LYS A 16 7.811 -1.057 6.860 1.00 0.00 H new ATOM 0 HB3 LYS A 16 8.794 -1.715 8.153 1.00 0.00 H new ATOM 0 HG2 LYS A 16 6.454 -3.258 6.995 1.00 0.00 H new ATOM 0 HG3 LYS A 16 8.048 -3.304 6.266 1.00 0.00 H new ATOM 0 HD2 LYS A 16 8.973 -4.005 8.540 1.00 0.00 H new ATOM 0 HD3 LYS A 16 7.319 -4.139 9.105 1.00 0.00 H new ATOM 0 HE2 LYS A 16 7.983 -6.342 8.483 1.00 0.00 H new ATOM 0 HE3 LYS A 16 6.892 -5.792 7.226 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 8.476 -6.311 5.798 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 9.388 -5.005 6.387 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 9.619 -6.560 7.029 1.00 0.00 H new ATOM 273 N TYR A 17 5.686 0.488 7.424 1.00 0.00 N ATOM 274 CA TYR A 17 4.587 1.152 6.737 1.00 0.00 C ATOM 275 C TYR A 17 5.020 1.506 5.341 1.00 0.00 C ATOM 276 O TYR A 17 6.159 1.911 5.130 1.00 0.00 O ATOM 277 CB TYR A 17 4.162 2.445 7.462 1.00 0.00 C ATOM 278 CG TYR A 17 3.336 2.268 8.721 1.00 0.00 C ATOM 279 CD1 TYR A 17 3.831 1.603 9.826 1.00 0.00 C ATOM 280 CD2 TYR A 17 2.050 2.789 8.799 1.00 0.00 C ATOM 281 CE1 TYR A 17 3.081 1.456 10.962 1.00 0.00 C ATOM 282 CE2 TYR A 17 1.296 2.652 9.941 1.00 0.00 C ATOM 283 CZ TYR A 17 1.819 1.982 11.018 1.00 0.00 C ATOM 284 OH TYR A 17 1.078 1.847 12.168 1.00 0.00 O ATOM 0 H TYR A 17 6.583 0.956 7.296 1.00 0.00 H new ATOM 0 HA TYR A 17 3.738 0.468 6.722 1.00 0.00 H new ATOM 0 HB2 TYR A 17 5.061 3.005 7.719 1.00 0.00 H new ATOM 0 HB3 TYR A 17 3.593 3.058 6.763 1.00 0.00 H new ATOM 0 HD1 TYR A 17 4.829 1.191 9.793 1.00 0.00 H new ATOM 0 HD2 TYR A 17 1.636 3.310 7.949 1.00 0.00 H new ATOM 0 HE1 TYR A 17 3.485 0.926 11.812 1.00 0.00 H new ATOM 0 HE2 TYR A 17 0.301 3.068 9.990 1.00 0.00 H new ATOM 0 HH TYR A 17 0.214 1.438 11.954 1.00 0.00 H new ATOM 294 N VAL A 18 4.134 1.359 4.403 1.00 0.00 N ATOM 295 CA VAL A 18 4.434 1.677 3.024 1.00 0.00 C ATOM 296 C VAL A 18 3.857 3.031 2.671 1.00 0.00 C ATOM 297 O VAL A 18 2.705 3.332 3.008 1.00 0.00 O ATOM 298 CB VAL A 18 3.921 0.567 2.037 1.00 0.00 C ATOM 299 CG1 VAL A 18 2.469 0.263 2.264 1.00 0.00 C ATOM 300 CG2 VAL A 18 4.148 0.960 0.582 1.00 0.00 C ATOM 0 H VAL A 18 3.186 1.018 4.562 1.00 0.00 H new ATOM 0 HA VAL A 18 5.518 1.714 2.915 1.00 0.00 H new ATOM 0 HB VAL A 18 4.502 -0.332 2.244 1.00 0.00 H new ATOM 0 HG11 VAL A 18 2.145 -0.509 1.565 1.00 0.00 H new ATOM 0 HG12 VAL A 18 2.326 -0.089 3.286 1.00 0.00 H new ATOM 0 HG13 VAL A 18 1.879 1.166 2.106 1.00 0.00 H new ATOM 0 HG21 VAL A 18 3.781 0.168 -0.070 1.00 0.00 H new ATOM 0 HG22 VAL A 18 3.612 1.885 0.367 1.00 0.00 H new ATOM 0 HG23 VAL A 18 5.214 1.109 0.407 1.00 0.00 H new ATOM 310 N LYS A 19 4.666 3.854 2.055 1.00 0.00 N ATOM 311 CA LYS A 19 4.237 5.152 1.626 1.00 0.00 C ATOM 312 C LYS A 19 3.775 5.039 0.195 1.00 0.00 C ATOM 313 O LYS A 19 4.577 4.799 -0.718 1.00 0.00 O ATOM 314 CB LYS A 19 5.362 6.170 1.768 1.00 0.00 C ATOM 315 CG LYS A 19 4.965 7.598 1.456 1.00 0.00 C ATOM 316 CD LYS A 19 6.112 8.547 1.742 1.00 0.00 C ATOM 317 CE LYS A 19 5.725 9.984 1.471 1.00 0.00 C ATOM 318 NZ LYS A 19 6.832 10.919 1.729 1.00 0.00 N ATOM 0 H LYS A 19 5.639 3.640 1.839 1.00 0.00 H new ATOM 0 HA LYS A 19 3.416 5.503 2.251 1.00 0.00 H new ATOM 0 HB2 LYS A 19 5.745 6.128 2.788 1.00 0.00 H new ATOM 0 HB3 LYS A 19 6.180 5.882 1.108 1.00 0.00 H new ATOM 0 HG2 LYS A 19 4.672 7.679 0.409 1.00 0.00 H new ATOM 0 HG3 LYS A 19 4.097 7.878 2.053 1.00 0.00 H new ATOM 0 HD2 LYS A 19 6.421 8.443 2.782 1.00 0.00 H new ATOM 0 HD3 LYS A 19 6.970 8.278 1.126 1.00 0.00 H new ATOM 0 HE2 LYS A 19 5.404 10.082 0.434 1.00 0.00 H new ATOM 0 HE3 LYS A 19 4.873 10.252 2.095 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 6.519 11.891 1.529 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 7.123 10.846 2.725 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 7.637 10.682 1.115 1.00 0.00 H new ATOM 332 N VAL A 20 2.507 5.184 0.018 1.00 0.00 N ATOM 333 CA VAL A 20 1.881 4.978 -1.244 1.00 0.00 C ATOM 334 C VAL A 20 1.283 6.290 -1.755 1.00 0.00 C ATOM 335 O VAL A 20 0.810 7.127 -0.970 1.00 0.00 O ATOM 336 CB VAL A 20 0.773 3.873 -1.106 1.00 0.00 C ATOM 337 CG1 VAL A 20 -0.286 4.277 -0.103 1.00 0.00 C ATOM 338 CG2 VAL A 20 0.133 3.509 -2.439 1.00 0.00 C ATOM 0 H VAL A 20 1.863 5.455 0.761 1.00 0.00 H new ATOM 0 HA VAL A 20 2.623 4.640 -1.968 1.00 0.00 H new ATOM 0 HB VAL A 20 1.279 2.980 -0.739 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -1.038 3.491 -0.031 1.00 0.00 H new ATOM 0 HG12 VAL A 20 0.176 4.428 0.873 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -0.760 5.204 -0.427 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -0.624 2.741 -2.281 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -0.332 4.394 -2.873 1.00 0.00 H new ATOM 0 HG23 VAL A 20 0.897 3.131 -3.118 1.00 0.00 H new ATOM 348 N ARG A 21 1.354 6.490 -3.047 1.00 0.00 N ATOM 349 CA ARG A 21 0.734 7.625 -3.668 1.00 0.00 C ATOM 350 C ARG A 21 -0.656 7.199 -4.104 1.00 0.00 C ATOM 351 O ARG A 21 -0.817 6.192 -4.806 1.00 0.00 O ATOM 352 CB ARG A 21 1.521 8.118 -4.895 1.00 0.00 C ATOM 353 CG ARG A 21 0.954 9.410 -5.483 1.00 0.00 C ATOM 354 CD ARG A 21 1.562 9.778 -6.832 1.00 0.00 C ATOM 355 NE ARG A 21 3.017 9.990 -6.800 1.00 0.00 N ATOM 356 CZ ARG A 21 3.706 10.650 -7.750 1.00 0.00 C ATOM 357 NH1 ARG A 21 3.067 11.268 -8.739 1.00 0.00 N ATOM 358 NH2 ARG A 21 5.021 10.703 -7.688 1.00 0.00 N ATOM 0 H ARG A 21 1.843 5.870 -3.693 1.00 0.00 H new ATOM 0 HA ARG A 21 0.704 8.448 -2.954 1.00 0.00 H new ATOM 0 HB2 ARG A 21 2.562 8.279 -4.613 1.00 0.00 H new ATOM 0 HB3 ARG A 21 1.514 7.342 -5.661 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -0.125 9.307 -5.595 1.00 0.00 H new ATOM 0 HG3 ARG A 21 1.125 10.226 -4.781 1.00 0.00 H new ATOM 0 HD2 ARG A 21 1.337 8.987 -7.547 1.00 0.00 H new ATOM 0 HD3 ARG A 21 1.082 10.685 -7.199 1.00 0.00 H new ATOM 0 HE ARG A 21 3.537 9.613 -6.008 1.00 0.00 H new ATOM 0 HH11 ARG A 21 2.048 11.244 -8.781 1.00 0.00 H new ATOM 0 HH12 ARG A 21 3.596 11.766 -9.455 1.00 0.00 H new ATOM 0 HH21 ARG A 21 5.514 10.245 -6.922 1.00 0.00 H new ATOM 0 HH22 ARG A 21 5.546 11.202 -8.406 1.00 0.00 H new ATOM 372 N ILE A 22 -1.631 7.921 -3.664 1.00 0.00 N ATOM 373 CA ILE A 22 -3.000 7.647 -3.998 1.00 0.00 C ATOM 374 C ILE A 22 -3.383 8.545 -5.155 1.00 0.00 C ATOM 375 O ILE A 22 -3.534 9.763 -4.960 1.00 0.00 O ATOM 376 CB ILE A 22 -3.949 7.979 -2.806 1.00 0.00 C ATOM 377 CG1 ILE A 22 -3.442 7.370 -1.485 1.00 0.00 C ATOM 378 CG2 ILE A 22 -5.374 7.507 -3.099 1.00 0.00 C ATOM 379 CD1 ILE A 22 -3.381 5.859 -1.450 1.00 0.00 C ATOM 0 H ILE A 22 -1.505 8.729 -3.055 1.00 0.00 H new ATOM 0 HA ILE A 22 -3.098 6.590 -4.245 1.00 0.00 H new ATOM 0 HB ILE A 22 -3.956 9.063 -2.690 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -2.445 7.762 -1.283 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -4.089 7.710 -0.676 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -6.018 7.749 -2.254 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -5.746 8.006 -3.994 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -5.375 6.429 -3.259 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -3.012 5.532 -0.478 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -4.378 5.451 -1.615 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -2.709 5.504 -2.231 1.00 0.00 H new ATOM 391 N LEU A 23 -3.454 7.992 -6.350 1.00 0.00 N ATOM 392 CA LEU A 23 -3.905 8.759 -7.486 1.00 0.00 C ATOM 393 C LEU A 23 -5.409 8.782 -7.463 1.00 0.00 C ATOM 394 O LEU A 23 -6.053 7.767 -7.684 1.00 0.00 O ATOM 395 CB LEU A 23 -3.422 8.156 -8.813 1.00 0.00 C ATOM 396 CG LEU A 23 -1.909 8.077 -9.029 1.00 0.00 C ATOM 397 CD1 LEU A 23 -1.605 7.335 -10.319 1.00 0.00 C ATOM 398 CD2 LEU A 23 -1.308 9.470 -9.076 1.00 0.00 C ATOM 0 H LEU A 23 -3.207 7.024 -6.555 1.00 0.00 H new ATOM 0 HA LEU A 23 -3.492 9.766 -7.418 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -3.829 7.148 -8.896 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -3.851 8.741 -9.627 1.00 0.00 H new ATOM 0 HG LEU A 23 -1.466 7.534 -8.194 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -0.526 7.284 -10.464 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -2.012 6.325 -10.262 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -2.059 7.862 -11.158 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -0.231 9.397 -9.230 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -1.755 10.031 -9.897 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -1.506 9.983 -8.135 1.00 0.00 H new ATOM 410 N LYS A 24 -5.960 9.917 -7.181 1.00 0.00 N ATOM 411 CA LYS A 24 -7.378 10.059 -7.082 1.00 0.00 C ATOM 412 C LYS A 24 -7.899 10.794 -8.282 1.00 0.00 C ATOM 413 O LYS A 24 -7.686 12.010 -8.427 1.00 0.00 O ATOM 414 CB LYS A 24 -7.753 10.824 -5.813 1.00 0.00 C ATOM 415 CG LYS A 24 -7.352 10.135 -4.517 1.00 0.00 C ATOM 416 CD LYS A 24 -7.635 11.016 -3.303 1.00 0.00 C ATOM 417 CE LYS A 24 -9.123 11.315 -3.123 1.00 0.00 C ATOM 418 NZ LYS A 24 -9.903 10.125 -2.727 1.00 0.00 N ATOM 0 H LYS A 24 -5.438 10.777 -7.012 1.00 0.00 H new ATOM 0 HA LYS A 24 -7.824 9.065 -7.039 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -7.285 11.808 -5.846 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -8.831 10.984 -5.806 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -7.896 9.195 -4.420 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -6.291 9.888 -4.549 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -7.257 10.524 -2.407 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -7.090 11.954 -3.406 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -9.244 12.091 -2.367 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -9.524 11.713 -4.055 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -10.891 10.399 -2.554 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -9.869 9.418 -3.489 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -9.499 9.718 -1.859 1.00 0.00 H new ATOM 432 N SER A 25 -8.542 10.079 -9.150 1.00 0.00 N ATOM 433 CA SER A 25 -9.154 10.670 -10.281 1.00 0.00 C ATOM 434 C SER A 25 -10.665 10.583 -10.131 1.00 0.00 C ATOM 435 O SER A 25 -11.314 9.591 -10.516 1.00 0.00 O ATOM 436 CB SER A 25 -8.674 9.999 -11.556 1.00 0.00 C ATOM 437 OG SER A 25 -7.256 9.998 -11.614 1.00 0.00 O ATOM 0 H SER A 25 -8.654 9.067 -9.088 1.00 0.00 H new ATOM 0 HA SER A 25 -8.873 11.721 -10.348 1.00 0.00 H new ATOM 0 HB2 SER A 25 -9.046 8.975 -11.597 1.00 0.00 H new ATOM 0 HB3 SER A 25 -9.079 10.521 -12.423 1.00 0.00 H new ATOM 0 HG SER A 25 -6.963 9.561 -12.441 1.00 0.00 H new ATOM 443 N ARG A 26 -11.201 11.589 -9.494 1.00 0.00 N ATOM 444 CA ARG A 26 -12.623 11.715 -9.261 1.00 0.00 C ATOM 445 C ARG A 26 -13.264 12.350 -10.497 1.00 0.00 C ATOM 446 O ARG A 26 -14.473 12.322 -10.678 1.00 0.00 O ATOM 447 CB ARG A 26 -12.845 12.592 -8.018 1.00 0.00 C ATOM 448 CG ARG A 26 -14.289 12.731 -7.579 1.00 0.00 C ATOM 449 CD ARG A 26 -14.415 13.660 -6.384 1.00 0.00 C ATOM 450 NE ARG A 26 -13.694 13.178 -5.193 1.00 0.00 N ATOM 451 CZ ARG A 26 -13.560 13.879 -4.047 1.00 0.00 C ATOM 452 NH1 ARG A 26 -14.154 15.066 -3.909 1.00 0.00 N ATOM 453 NH2 ARG A 26 -12.878 13.371 -3.032 1.00 0.00 N ATOM 0 H ARG A 26 -10.655 12.362 -9.113 1.00 0.00 H new ATOM 0 HA ARG A 26 -13.079 10.740 -9.087 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -12.269 12.176 -7.192 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -12.445 13.586 -8.218 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -14.887 13.115 -8.405 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -14.690 11.750 -7.324 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -14.035 14.645 -6.656 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -15.470 13.782 -6.137 1.00 0.00 H new ATOM 0 HE ARG A 26 -13.267 12.253 -5.237 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -14.713 15.448 -4.672 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -14.049 15.591 -3.041 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -12.452 12.448 -3.115 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -12.778 13.903 -2.167 1.00 0.00 H new ATOM 467 N ASP A 27 -12.397 12.885 -11.366 1.00 0.00 N ATOM 468 CA ASP A 27 -12.786 13.550 -12.632 1.00 0.00 C ATOM 469 C ASP A 27 -13.539 12.606 -13.553 1.00 0.00 C ATOM 470 O ASP A 27 -14.268 13.039 -14.445 1.00 0.00 O ATOM 471 CB ASP A 27 -11.555 14.090 -13.373 1.00 0.00 C ATOM 472 CG ASP A 27 -10.807 15.143 -12.605 1.00 0.00 C ATOM 473 OD1 ASP A 27 -11.112 16.340 -12.745 1.00 0.00 O ATOM 474 OD2 ASP A 27 -9.890 14.799 -11.843 1.00 0.00 O ATOM 0 H ASP A 27 -11.388 12.872 -11.214 1.00 0.00 H new ATOM 0 HA ASP A 27 -13.441 14.378 -12.361 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -10.880 13.262 -13.591 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -11.870 14.505 -14.330 1.00 0.00 H new ATOM 479 N ASP A 28 -13.316 11.322 -13.370 1.00 0.00 N ATOM 480 CA ASP A 28 -14.052 10.312 -14.114 1.00 0.00 C ATOM 481 C ASP A 28 -15.272 9.911 -13.321 1.00 0.00 C ATOM 482 O ASP A 28 -16.397 10.055 -13.777 1.00 0.00 O ATOM 483 CB ASP A 28 -13.192 9.072 -14.383 1.00 0.00 C ATOM 484 CG ASP A 28 -13.987 7.960 -15.054 1.00 0.00 C ATOM 485 OD1 ASP A 28 -14.287 8.081 -16.260 1.00 0.00 O ATOM 486 OD2 ASP A 28 -14.336 6.961 -14.382 1.00 0.00 O ATOM 0 H ASP A 28 -12.631 10.949 -12.713 1.00 0.00 H new ATOM 0 HA ASP A 28 -14.341 10.736 -15.076 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -12.348 9.347 -15.016 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -12.780 8.706 -13.443 1.00 0.00 H new ATOM 491 N ASN A 29 -15.013 9.438 -12.115 1.00 0.00 N ATOM 492 CA ASN A 29 -16.022 8.997 -11.153 1.00 0.00 C ATOM 493 C ASN A 29 -15.265 8.530 -9.942 1.00 0.00 C ATOM 494 O ASN A 29 -15.290 9.150 -8.881 1.00 0.00 O ATOM 495 CB ASN A 29 -16.864 7.820 -11.709 1.00 0.00 C ATOM 496 CG ASN A 29 -18.007 7.397 -10.783 1.00 0.00 C ATOM 497 OD1 ASN A 29 -19.113 7.912 -10.882 1.00 0.00 O ATOM 498 ND2 ASN A 29 -17.773 6.444 -9.908 1.00 0.00 N ATOM 0 H ASN A 29 -14.061 9.345 -11.760 1.00 0.00 H new ATOM 0 HA ASN A 29 -16.712 9.811 -10.930 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -17.277 8.104 -12.677 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -16.210 6.965 -11.880 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -18.521 6.120 -9.295 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -16.844 6.029 -9.843 1.00 0.00 H new ATOM 505 N SER A 30 -14.523 7.464 -10.140 1.00 0.00 N ATOM 506 CA SER A 30 -13.697 6.903 -9.116 1.00 0.00 C ATOM 507 C SER A 30 -12.611 6.029 -9.713 1.00 0.00 C ATOM 508 O SER A 30 -12.781 4.819 -9.884 1.00 0.00 O ATOM 509 CB SER A 30 -14.533 6.140 -8.077 1.00 0.00 C ATOM 510 OG SER A 30 -15.432 5.225 -8.704 1.00 0.00 O ATOM 0 H SER A 30 -14.481 6.963 -11.028 1.00 0.00 H new ATOM 0 HA SER A 30 -13.208 7.725 -8.593 1.00 0.00 H new ATOM 0 HB2 SER A 30 -13.871 5.598 -7.402 1.00 0.00 H new ATOM 0 HB3 SER A 30 -15.097 6.848 -7.470 1.00 0.00 H new ATOM 0 HG SER A 30 -14.947 4.693 -9.369 1.00 0.00 H new ATOM 516 N VAL A 31 -11.554 6.654 -10.137 1.00 0.00 N ATOM 517 CA VAL A 31 -10.412 5.933 -10.609 1.00 0.00 C ATOM 518 C VAL A 31 -9.279 6.242 -9.673 1.00 0.00 C ATOM 519 O VAL A 31 -8.578 7.242 -9.828 1.00 0.00 O ATOM 520 CB VAL A 31 -10.017 6.279 -12.080 1.00 0.00 C ATOM 521 CG1 VAL A 31 -8.801 5.471 -12.531 1.00 0.00 C ATOM 522 CG2 VAL A 31 -11.180 6.031 -13.024 1.00 0.00 C ATOM 0 H VAL A 31 -11.459 7.669 -10.165 1.00 0.00 H new ATOM 0 HA VAL A 31 -10.651 4.870 -10.622 1.00 0.00 H new ATOM 0 HB VAL A 31 -9.759 7.338 -12.109 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -8.550 5.734 -13.559 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -7.954 5.695 -11.882 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -9.030 4.407 -12.474 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -10.881 6.279 -14.042 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -11.470 4.981 -12.976 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -12.025 6.654 -12.732 1.00 0.00 H new ATOM 532 N GLU A 32 -9.177 5.462 -8.640 1.00 0.00 N ATOM 533 CA GLU A 32 -8.149 5.665 -7.674 1.00 0.00 C ATOM 534 C GLU A 32 -7.076 4.646 -7.862 1.00 0.00 C ATOM 535 O GLU A 32 -7.226 3.486 -7.485 1.00 0.00 O ATOM 536 CB GLU A 32 -8.681 5.635 -6.248 1.00 0.00 C ATOM 537 CG GLU A 32 -9.770 6.648 -5.974 1.00 0.00 C ATOM 538 CD GLU A 32 -10.141 6.700 -4.525 1.00 0.00 C ATOM 539 OE1 GLU A 32 -10.412 5.643 -3.921 1.00 0.00 O ATOM 540 OE2 GLU A 32 -10.203 7.809 -3.956 1.00 0.00 O ATOM 0 H GLU A 32 -9.798 4.676 -8.447 1.00 0.00 H new ATOM 0 HA GLU A 32 -7.735 6.661 -7.831 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -9.066 4.637 -6.036 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -7.854 5.811 -5.559 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -9.437 7.634 -6.298 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -10.652 6.400 -6.565 1.00 0.00 H new ATOM 547 N LYS A 33 -6.030 5.047 -8.492 1.00 0.00 N ATOM 548 CA LYS A 33 -4.934 4.174 -8.724 1.00 0.00 C ATOM 549 C LYS A 33 -3.907 4.349 -7.654 1.00 0.00 C ATOM 550 O LYS A 33 -3.204 5.347 -7.589 1.00 0.00 O ATOM 551 CB LYS A 33 -4.342 4.339 -10.129 1.00 0.00 C ATOM 552 CG LYS A 33 -5.208 3.772 -11.268 1.00 0.00 C ATOM 553 CD LYS A 33 -5.011 2.250 -11.513 1.00 0.00 C ATOM 554 CE LYS A 33 -5.420 1.346 -10.344 1.00 0.00 C ATOM 555 NZ LYS A 33 -5.295 -0.091 -10.693 1.00 0.00 N ATOM 0 H LYS A 33 -5.909 5.990 -8.862 1.00 0.00 H new ATOM 0 HA LYS A 33 -5.303 3.149 -8.680 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -4.173 5.400 -10.314 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -3.367 3.852 -10.156 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -6.257 3.960 -11.041 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -4.979 4.310 -12.188 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -5.585 1.962 -12.393 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -3.961 2.067 -11.744 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -4.796 1.566 -9.478 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -6.449 1.563 -10.059 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -5.580 -0.672 -9.879 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -5.910 -0.306 -11.504 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -4.308 -0.303 -10.941 1.00 0.00 H new ATOM 569 N TYR A 34 -3.886 3.413 -6.785 1.00 0.00 N ATOM 570 CA TYR A 34 -2.944 3.384 -5.726 1.00 0.00 C ATOM 571 C TYR A 34 -1.669 2.846 -6.348 1.00 0.00 C ATOM 572 O TYR A 34 -1.735 1.882 -7.131 1.00 0.00 O ATOM 573 CB TYR A 34 -3.466 2.446 -4.630 1.00 0.00 C ATOM 574 CG TYR A 34 -4.946 2.662 -4.289 1.00 0.00 C ATOM 575 CD1 TYR A 34 -5.345 3.688 -3.461 1.00 0.00 C ATOM 576 CD2 TYR A 34 -5.932 1.834 -4.818 1.00 0.00 C ATOM 577 CE1 TYR A 34 -6.684 3.898 -3.152 1.00 0.00 C ATOM 578 CE2 TYR A 34 -7.271 2.029 -4.524 1.00 0.00 C ATOM 579 CZ TYR A 34 -7.647 3.059 -3.691 1.00 0.00 C ATOM 580 OH TYR A 34 -8.992 3.250 -3.400 1.00 0.00 O ATOM 0 H TYR A 34 -4.536 2.627 -6.786 1.00 0.00 H new ATOM 0 HA TYR A 34 -2.774 4.359 -5.270 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -3.322 1.414 -4.949 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -2.870 2.587 -3.728 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -4.599 4.346 -3.041 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -5.647 1.023 -5.471 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -6.972 4.708 -2.498 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -8.019 1.375 -4.947 1.00 0.00 H new ATOM 0 HH TYR A 34 -9.267 4.142 -3.697 1.00 0.00 H new ATOM 590 N VAL A 35 -0.542 3.477 -6.072 1.00 0.00 N ATOM 591 CA VAL A 35 0.694 3.074 -6.720 1.00 0.00 C ATOM 592 C VAL A 35 1.122 1.664 -6.286 1.00 0.00 C ATOM 593 O VAL A 35 0.926 1.246 -5.152 1.00 0.00 O ATOM 594 CB VAL A 35 1.860 4.109 -6.549 1.00 0.00 C ATOM 595 CG1 VAL A 35 2.354 4.165 -5.129 1.00 0.00 C ATOM 596 CG2 VAL A 35 3.010 3.832 -7.517 1.00 0.00 C ATOM 0 H VAL A 35 -0.456 4.255 -5.418 1.00 0.00 H new ATOM 0 HA VAL A 35 0.476 3.049 -7.788 1.00 0.00 H new ATOM 0 HB VAL A 35 1.449 5.088 -6.794 1.00 0.00 H new ATOM 0 HG11 VAL A 35 3.161 4.894 -5.053 1.00 0.00 H new ATOM 0 HG12 VAL A 35 1.537 4.459 -4.471 1.00 0.00 H new ATOM 0 HG13 VAL A 35 2.723 3.183 -4.833 1.00 0.00 H new ATOM 0 HG21 VAL A 35 3.798 4.570 -7.367 1.00 0.00 H new ATOM 0 HG22 VAL A 35 3.408 2.834 -7.333 1.00 0.00 H new ATOM 0 HG23 VAL A 35 2.645 3.894 -8.542 1.00 0.00 H new ATOM 606 N LEU A 36 1.699 0.979 -7.221 1.00 0.00 N ATOM 607 CA LEU A 36 2.081 -0.397 -7.132 1.00 0.00 C ATOM 608 C LEU A 36 3.376 -0.635 -6.352 1.00 0.00 C ATOM 609 O LEU A 36 3.812 -1.780 -6.222 1.00 0.00 O ATOM 610 CB LEU A 36 2.141 -1.043 -8.532 1.00 0.00 C ATOM 611 CG LEU A 36 0.805 -1.180 -9.319 1.00 0.00 C ATOM 612 CD1 LEU A 36 -0.274 -1.862 -8.489 1.00 0.00 C ATOM 613 CD2 LEU A 36 0.313 0.156 -9.878 1.00 0.00 C ATOM 0 H LEU A 36 1.931 1.391 -8.125 1.00 0.00 H new ATOM 0 HA LEU A 36 1.300 -0.887 -6.551 1.00 0.00 H new ATOM 0 HB2 LEU A 36 2.832 -0.461 -9.142 1.00 0.00 H new ATOM 0 HB3 LEU A 36 2.572 -2.039 -8.425 1.00 0.00 H new ATOM 0 HG LEU A 36 1.020 -1.821 -10.174 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -1.190 -1.938 -9.075 1.00 0.00 H new ATOM 0 HD12 LEU A 36 0.060 -2.860 -8.207 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -0.466 -1.277 -7.590 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -0.622 0.003 -10.417 1.00 0.00 H new ATOM 0 HD22 LEU A 36 0.148 0.855 -9.058 1.00 0.00 H new ATOM 0 HD23 LEU A 36 1.061 0.564 -10.558 1.00 0.00 H new ATOM 625 N THR A 37 4.024 0.407 -5.876 1.00 0.00 N ATOM 626 CA THR A 37 5.298 0.204 -5.222 1.00 0.00 C ATOM 627 C THR A 37 5.069 -0.062 -3.731 1.00 0.00 C ATOM 628 O THR A 37 4.102 0.400 -3.132 1.00 0.00 O ATOM 629 CB THR A 37 6.275 1.423 -5.425 1.00 0.00 C ATOM 630 OG1 THR A 37 7.580 1.129 -4.879 1.00 0.00 O ATOM 631 CG2 THR A 37 5.742 2.698 -4.771 1.00 0.00 C ATOM 0 H THR A 37 3.703 1.374 -5.926 1.00 0.00 H new ATOM 0 HA THR A 37 5.777 -0.661 -5.680 1.00 0.00 H new ATOM 0 HB THR A 37 6.350 1.588 -6.500 1.00 0.00 H new ATOM 0 HG1 THR A 37 8.173 1.897 -5.016 1.00 0.00 H new ATOM 0 HG21 THR A 37 6.447 3.513 -4.935 1.00 0.00 H new ATOM 0 HG22 THR A 37 4.779 2.957 -5.210 1.00 0.00 H new ATOM 0 HG23 THR A 37 5.620 2.534 -3.700 1.00 0.00 H new ATOM 639 N SER A 38 5.960 -0.828 -3.169 1.00 0.00 N ATOM 640 CA SER A 38 5.865 -1.291 -1.813 1.00 0.00 C ATOM 641 C SER A 38 6.938 -0.621 -0.943 1.00 0.00 C ATOM 642 O SER A 38 7.385 -1.168 0.054 1.00 0.00 O ATOM 643 CB SER A 38 6.009 -2.795 -1.842 1.00 0.00 C ATOM 644 OG SER A 38 5.081 -3.349 -2.774 1.00 0.00 O ATOM 0 H SER A 38 6.795 -1.157 -3.654 1.00 0.00 H new ATOM 0 HA SER A 38 4.905 -1.027 -1.370 1.00 0.00 H new ATOM 0 HB2 SER A 38 7.027 -3.067 -2.122 1.00 0.00 H new ATOM 0 HB3 SER A 38 5.831 -3.206 -0.848 1.00 0.00 H new ATOM 0 HG SER A 38 5.178 -4.324 -2.792 1.00 0.00 H new ATOM 650 N HIS A 39 7.334 0.560 -1.385 1.00 0.00 N ATOM 651 CA HIS A 39 8.313 1.449 -0.732 1.00 0.00 C ATOM 652 C HIS A 39 7.964 1.663 0.773 1.00 0.00 C ATOM 653 O HIS A 39 7.099 2.479 1.113 1.00 0.00 O ATOM 654 CB HIS A 39 8.265 2.787 -1.494 1.00 0.00 C ATOM 655 CG HIS A 39 9.257 3.837 -1.104 1.00 0.00 C ATOM 656 ND1 HIS A 39 9.109 4.641 -0.012 1.00 0.00 N ATOM 657 CD2 HIS A 39 10.380 4.258 -1.722 1.00 0.00 C ATOM 658 CE1 HIS A 39 10.084 5.513 0.029 1.00 0.00 C ATOM 659 NE2 HIS A 39 10.876 5.310 -0.996 1.00 0.00 N ATOM 0 H HIS A 39 6.970 0.956 -2.252 1.00 0.00 H new ATOM 0 HA HIS A 39 9.311 1.011 -0.762 1.00 0.00 H new ATOM 0 HB2 HIS A 39 8.398 2.575 -2.555 1.00 0.00 H new ATOM 0 HB3 HIS A 39 7.266 3.207 -1.375 1.00 0.00 H new ATOM 0 HD2 HIS A 39 10.809 3.843 -2.622 1.00 0.00 H new ATOM 0 HE1 HIS A 39 10.215 6.275 0.783 1.00 0.00 H new ATOM 0 HE2 HIS A 39 11.717 5.843 -1.216 1.00 0.00 H new ATOM 668 N VAL A 40 8.637 0.929 1.645 1.00 0.00 N ATOM 669 CA VAL A 40 8.340 0.953 3.086 1.00 0.00 C ATOM 670 C VAL A 40 9.359 1.700 3.939 1.00 0.00 C ATOM 671 O VAL A 40 10.546 1.820 3.584 1.00 0.00 O ATOM 672 CB VAL A 40 8.133 -0.471 3.702 1.00 0.00 C ATOM 673 CG1 VAL A 40 6.843 -1.088 3.235 1.00 0.00 C ATOM 674 CG2 VAL A 40 9.302 -1.404 3.393 1.00 0.00 C ATOM 0 H VAL A 40 9.399 0.302 1.387 1.00 0.00 H new ATOM 0 HA VAL A 40 7.402 1.507 3.119 1.00 0.00 H new ATOM 0 HB VAL A 40 8.085 -0.338 4.783 1.00 0.00 H new ATOM 0 HG11 VAL A 40 6.730 -2.076 3.681 1.00 0.00 H new ATOM 0 HG12 VAL A 40 6.007 -0.456 3.536 1.00 0.00 H new ATOM 0 HG13 VAL A 40 6.856 -1.180 2.149 1.00 0.00 H new ATOM 0 HG21 VAL A 40 9.116 -2.381 3.840 1.00 0.00 H new ATOM 0 HG22 VAL A 40 9.405 -1.512 2.313 1.00 0.00 H new ATOM 0 HG23 VAL A 40 10.220 -0.986 3.805 1.00 0.00 H new ATOM 684 N SER A 41 8.870 2.183 5.055 1.00 0.00 N ATOM 685 CA SER A 41 9.641 2.813 6.094 1.00 0.00 C ATOM 686 C SER A 41 9.396 2.025 7.378 1.00 0.00 C ATOM 687 O SER A 41 8.272 1.565 7.612 1.00 0.00 O ATOM 688 CB SER A 41 9.192 4.262 6.268 1.00 0.00 C ATOM 689 OG SER A 41 9.335 4.971 5.050 1.00 0.00 O ATOM 0 H SER A 41 7.874 2.144 5.272 1.00 0.00 H new ATOM 0 HA SER A 41 10.702 2.818 5.844 1.00 0.00 H new ATOM 0 HB2 SER A 41 8.152 4.291 6.594 1.00 0.00 H new ATOM 0 HB3 SER A 41 9.784 4.742 7.048 1.00 0.00 H new ATOM 0 HG SER A 41 9.042 5.898 5.175 1.00 0.00 H new ATOM 695 N LYS A 42 10.420 1.853 8.182 1.00 0.00 N ATOM 696 CA LYS A 42 10.316 1.036 9.376 1.00 0.00 C ATOM 697 C LYS A 42 9.774 1.833 10.572 1.00 0.00 C ATOM 698 O LYS A 42 9.243 1.265 11.529 1.00 0.00 O ATOM 699 CB LYS A 42 11.683 0.396 9.674 1.00 0.00 C ATOM 700 CG LYS A 42 11.688 -0.596 10.834 1.00 0.00 C ATOM 701 CD LYS A 42 13.025 -1.319 10.961 1.00 0.00 C ATOM 702 CE LYS A 42 13.301 -2.220 9.760 1.00 0.00 C ATOM 703 NZ LYS A 42 14.572 -2.953 9.902 1.00 0.00 N ATOM 0 H LYS A 42 11.339 2.269 8.033 1.00 0.00 H new ATOM 0 HA LYS A 42 9.591 0.241 9.198 1.00 0.00 H new ATOM 0 HB2 LYS A 42 12.032 -0.115 8.777 1.00 0.00 H new ATOM 0 HB3 LYS A 42 12.400 1.188 9.889 1.00 0.00 H new ATOM 0 HG2 LYS A 42 11.471 -0.069 11.763 1.00 0.00 H new ATOM 0 HG3 LYS A 42 10.893 -1.327 10.689 1.00 0.00 H new ATOM 0 HD2 LYS A 42 13.826 -0.586 11.057 1.00 0.00 H new ATOM 0 HD3 LYS A 42 13.029 -1.917 11.872 1.00 0.00 H new ATOM 0 HE2 LYS A 42 12.483 -2.931 9.644 1.00 0.00 H new ATOM 0 HE3 LYS A 42 13.330 -1.617 8.853 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 14.722 -3.553 9.066 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 15.356 -2.275 9.987 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 14.536 -3.549 10.754 1.00 0.00 H new ATOM 717 N ASN A 43 9.887 3.141 10.522 1.00 0.00 N ATOM 718 CA ASN A 43 9.375 3.954 11.609 1.00 0.00 C ATOM 719 C ASN A 43 8.012 4.468 11.260 1.00 0.00 C ATOM 720 O ASN A 43 7.808 5.010 10.163 1.00 0.00 O ATOM 721 CB ASN A 43 10.320 5.097 12.003 1.00 0.00 C ATOM 722 CG ASN A 43 11.648 4.593 12.539 1.00 0.00 C ATOM 723 OD1 ASN A 43 11.793 4.339 13.746 1.00 0.00 O ATOM 724 ND2 ASN A 43 12.631 4.464 11.678 1.00 0.00 N ATOM 0 H ASN A 43 10.320 3.660 9.758 1.00 0.00 H new ATOM 0 HA ASN A 43 9.304 3.314 12.489 1.00 0.00 H new ATOM 0 HB2 ASN A 43 10.499 5.732 11.135 1.00 0.00 H new ATOM 0 HB3 ASN A 43 9.839 5.718 12.758 1.00 0.00 H new ATOM 0 HD21 ASN A 43 13.547 4.147 11.994 1.00 0.00 H new ATOM 0 HD22 ASN A 43 12.478 4.681 10.693 1.00 0.00 H new ATOM 731 N ARG A 44 7.080 4.293 12.177 1.00 0.00 N ATOM 732 CA ARG A 44 5.692 4.635 11.933 1.00 0.00 C ATOM 733 C ARG A 44 5.513 6.137 11.741 1.00 0.00 C ATOM 734 O ARG A 44 6.107 6.941 12.461 1.00 0.00 O ATOM 735 CB ARG A 44 4.780 4.163 13.064 1.00 0.00 C ATOM 736 CG ARG A 44 4.958 2.709 13.476 1.00 0.00 C ATOM 737 CD ARG A 44 3.748 2.217 14.264 1.00 0.00 C ATOM 738 NE ARG A 44 3.372 3.116 15.358 1.00 0.00 N ATOM 739 CZ ARG A 44 2.180 3.734 15.463 1.00 0.00 C ATOM 740 NH1 ARG A 44 1.239 3.541 14.524 1.00 0.00 N ATOM 741 NH2 ARG A 44 1.928 4.527 16.512 1.00 0.00 N ATOM 0 H ARG A 44 7.262 3.912 13.106 1.00 0.00 H new ATOM 0 HA ARG A 44 5.408 4.119 11.016 1.00 0.00 H new ATOM 0 HB2 ARG A 44 4.952 4.795 13.936 1.00 0.00 H new ATOM 0 HB3 ARG A 44 3.744 4.314 12.761 1.00 0.00 H new ATOM 0 HG2 ARG A 44 5.097 2.090 12.590 1.00 0.00 H new ATOM 0 HG3 ARG A 44 5.858 2.606 14.081 1.00 0.00 H new ATOM 0 HD2 ARG A 44 2.902 2.105 13.586 1.00 0.00 H new ATOM 0 HD3 ARG A 44 3.964 1.229 14.671 1.00 0.00 H new ATOM 0 HE ARG A 44 4.061 3.286 16.091 1.00 0.00 H new ATOM 0 HH11 ARG A 44 1.427 2.927 13.732 1.00 0.00 H new ATOM 0 HH12 ARG A 44 0.336 4.009 14.603 1.00 0.00 H new ATOM 0 HH21 ARG A 44 2.639 4.663 17.231 1.00 0.00 H new ATOM 0 HH22 ARG A 44 1.025 4.995 16.592 1.00 0.00 H new ATOM 755 N PRO A 45 4.728 6.535 10.752 1.00 0.00 N ATOM 756 CA PRO A 45 4.434 7.930 10.525 1.00 0.00 C ATOM 757 C PRO A 45 3.437 8.462 11.541 1.00 0.00 C ATOM 758 O PRO A 45 2.513 7.747 11.977 1.00 0.00 O ATOM 759 CB PRO A 45 3.807 7.956 9.143 1.00 0.00 C ATOM 760 CG PRO A 45 3.234 6.600 8.958 1.00 0.00 C ATOM 761 CD PRO A 45 4.087 5.664 9.756 1.00 0.00 C ATOM 0 HA PRO A 45 5.327 8.548 10.612 1.00 0.00 H new ATOM 0 HB2 PRO A 45 3.036 8.723 9.073 1.00 0.00 H new ATOM 0 HB3 PRO A 45 4.549 8.179 8.377 1.00 0.00 H new ATOM 0 HG2 PRO A 45 2.199 6.567 9.298 1.00 0.00 H new ATOM 0 HG3 PRO A 45 3.232 6.320 7.905 1.00 0.00 H new ATOM 0 HD2 PRO A 45 3.490 4.885 10.231 1.00 0.00 H new ATOM 0 HD3 PRO A 45 4.825 5.163 9.129 1.00 0.00 H new ATOM 769 N LYS A 46 3.623 9.683 11.926 1.00 0.00 N ATOM 770 CA LYS A 46 2.726 10.322 12.838 1.00 0.00 C ATOM 771 C LYS A 46 1.936 11.367 12.096 1.00 0.00 C ATOM 772 O LYS A 46 0.701 11.374 12.133 1.00 0.00 O ATOM 773 CB LYS A 46 3.478 10.918 14.026 1.00 0.00 C ATOM 774 CG LYS A 46 4.169 9.869 14.876 1.00 0.00 C ATOM 775 CD LYS A 46 4.887 10.480 16.056 1.00 0.00 C ATOM 776 CE LYS A 46 5.491 9.403 16.941 1.00 0.00 C ATOM 777 NZ LYS A 46 4.457 8.534 17.561 1.00 0.00 N ATOM 0 H LYS A 46 4.401 10.267 11.618 1.00 0.00 H new ATOM 0 HA LYS A 46 2.037 9.583 13.247 1.00 0.00 H new ATOM 0 HB2 LYS A 46 4.220 11.628 13.660 1.00 0.00 H new ATOM 0 HB3 LYS A 46 2.779 11.479 14.647 1.00 0.00 H new ATOM 0 HG2 LYS A 46 3.433 9.149 15.233 1.00 0.00 H new ATOM 0 HG3 LYS A 46 4.882 9.318 14.263 1.00 0.00 H new ATOM 0 HD2 LYS A 46 5.672 11.148 15.703 1.00 0.00 H new ATOM 0 HD3 LYS A 46 4.191 11.085 16.637 1.00 0.00 H new ATOM 0 HE2 LYS A 46 6.171 8.789 16.350 1.00 0.00 H new ATOM 0 HE3 LYS A 46 6.086 9.872 17.725 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 4.882 7.990 18.339 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 3.685 9.124 17.932 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 4.080 7.879 16.846 1.00 0.00 H new ATOM 791 N ASN A 47 2.629 12.218 11.376 1.00 0.00 N ATOM 792 CA ASN A 47 1.955 13.217 10.583 1.00 0.00 C ATOM 793 C ASN A 47 1.814 12.763 9.166 1.00 0.00 C ATOM 794 O ASN A 47 2.595 13.148 8.295 1.00 0.00 O ATOM 795 CB ASN A 47 2.605 14.604 10.657 1.00 0.00 C ATOM 796 CG ASN A 47 2.462 15.240 12.015 1.00 0.00 C ATOM 797 OD1 ASN A 47 1.475 15.930 12.287 1.00 0.00 O ATOM 798 ND2 ASN A 47 3.428 15.038 12.862 1.00 0.00 N ATOM 0 H ASN A 47 3.647 12.239 11.323 1.00 0.00 H new ATOM 0 HA ASN A 47 0.963 13.331 11.019 1.00 0.00 H new ATOM 0 HB2 ASN A 47 3.663 14.519 10.410 1.00 0.00 H new ATOM 0 HB3 ASN A 47 2.154 15.253 9.907 1.00 0.00 H new ATOM 0 HD21 ASN A 47 3.387 15.457 13.791 1.00 0.00 H new ATOM 0 HD22 ASN A 47 4.226 14.461 12.597 1.00 0.00 H new ATOM 805 N ALA A 48 0.879 11.868 8.971 1.00 0.00 N ATOM 806 CA ALA A 48 0.539 11.328 7.694 1.00 0.00 C ATOM 807 C ALA A 48 -0.746 10.567 7.853 1.00 0.00 C ATOM 808 O ALA A 48 -1.093 10.164 8.972 1.00 0.00 O ATOM 809 CB ALA A 48 1.626 10.405 7.178 1.00 0.00 C ATOM 0 H ALA A 48 0.317 11.486 9.731 1.00 0.00 H new ATOM 0 HA ALA A 48 0.430 12.136 6.970 1.00 0.00 H new ATOM 0 HB1 ALA A 48 1.336 10.011 6.204 1.00 0.00 H new ATOM 0 HB2 ALA A 48 2.559 10.960 7.082 1.00 0.00 H new ATOM 0 HB3 ALA A 48 1.765 9.580 7.877 1.00 0.00 H new ATOM 815 N ILE A 49 -1.445 10.389 6.779 1.00 0.00 N ATOM 816 CA ILE A 49 -2.701 9.680 6.783 1.00 0.00 C ATOM 817 C ILE A 49 -2.417 8.200 6.579 1.00 0.00 C ATOM 818 O ILE A 49 -1.620 7.838 5.709 1.00 0.00 O ATOM 819 CB ILE A 49 -3.625 10.204 5.640 1.00 0.00 C ATOM 820 CG1 ILE A 49 -3.840 11.728 5.755 1.00 0.00 C ATOM 821 CG2 ILE A 49 -4.965 9.470 5.613 1.00 0.00 C ATOM 822 CD1 ILE A 49 -4.440 12.192 7.072 1.00 0.00 C ATOM 0 H ILE A 49 -1.164 10.732 5.860 1.00 0.00 H new ATOM 0 HA ILE A 49 -3.210 9.839 7.734 1.00 0.00 H new ATOM 0 HB ILE A 49 -3.118 9.999 4.697 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -2.881 12.227 5.613 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -4.491 12.051 4.942 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -5.579 9.864 4.803 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -4.794 8.405 5.454 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -5.479 9.616 6.563 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -4.553 13.276 7.058 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -5.416 11.727 7.211 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -3.782 11.906 7.892 1.00 0.00 H new ATOM 834 N VAL A 50 -3.020 7.359 7.384 1.00 0.00 N ATOM 835 CA VAL A 50 -2.810 5.935 7.258 1.00 0.00 C ATOM 836 C VAL A 50 -4.080 5.219 6.813 1.00 0.00 C ATOM 837 O VAL A 50 -5.176 5.510 7.299 1.00 0.00 O ATOM 838 CB VAL A 50 -2.228 5.280 8.555 1.00 0.00 C ATOM 839 CG1 VAL A 50 -0.866 5.867 8.890 1.00 0.00 C ATOM 840 CG2 VAL A 50 -3.173 5.428 9.745 1.00 0.00 C ATOM 0 H VAL A 50 -3.658 7.633 8.131 1.00 0.00 H new ATOM 0 HA VAL A 50 -2.055 5.814 6.481 1.00 0.00 H new ATOM 0 HB VAL A 50 -2.116 4.215 8.353 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -0.480 5.398 9.795 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -0.178 5.684 8.065 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -0.962 6.941 9.051 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -2.729 4.959 10.623 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -3.343 6.486 9.945 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -4.123 4.945 9.517 1.00 0.00 H new ATOM 850 N ILE A 51 -3.937 4.352 5.843 1.00 0.00 N ATOM 851 CA ILE A 51 -5.028 3.530 5.352 1.00 0.00 C ATOM 852 C ILE A 51 -4.608 2.083 5.561 1.00 0.00 C ATOM 853 O ILE A 51 -3.490 1.743 5.270 1.00 0.00 O ATOM 854 CB ILE A 51 -5.281 3.770 3.829 1.00 0.00 C ATOM 855 CG1 ILE A 51 -5.425 5.273 3.528 1.00 0.00 C ATOM 856 CG2 ILE A 51 -6.535 3.019 3.375 1.00 0.00 C ATOM 857 CD1 ILE A 51 -5.670 5.599 2.059 1.00 0.00 C ATOM 0 H ILE A 51 -3.052 4.191 5.363 1.00 0.00 H new ATOM 0 HA ILE A 51 -5.948 3.776 5.882 1.00 0.00 H new ATOM 0 HB ILE A 51 -4.422 3.390 3.277 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -6.249 5.672 4.119 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -4.520 5.785 3.856 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -6.700 3.195 2.312 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -6.403 1.951 3.550 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -7.397 3.375 3.939 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -5.759 6.678 1.936 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -4.835 5.233 1.461 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -6.591 5.119 1.728 1.00 0.00 H new ATOM 869 N LYS A 52 -5.464 1.253 6.076 1.00 0.00 N ATOM 870 CA LYS A 52 -5.101 -0.130 6.354 1.00 0.00 C ATOM 871 C LYS A 52 -5.318 -0.980 5.092 1.00 0.00 C ATOM 872 O LYS A 52 -6.166 -0.631 4.265 1.00 0.00 O ATOM 873 CB LYS A 52 -5.949 -0.642 7.526 1.00 0.00 C ATOM 874 CG LYS A 52 -5.511 -1.973 8.103 1.00 0.00 C ATOM 875 CD LYS A 52 -6.369 -2.347 9.286 1.00 0.00 C ATOM 876 CE LYS A 52 -5.873 -3.597 9.990 1.00 0.00 C ATOM 877 NZ LYS A 52 -6.665 -3.878 11.204 1.00 0.00 N ATOM 0 H LYS A 52 -6.424 1.497 6.318 1.00 0.00 H new ATOM 0 HA LYS A 52 -4.049 -0.200 6.631 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -5.931 0.104 8.320 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -6.984 -0.730 7.194 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -5.579 -2.747 7.338 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -4.466 -1.917 8.408 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -6.388 -1.518 9.994 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -7.395 -2.504 8.952 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -5.931 -4.447 9.310 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -4.824 -3.474 10.258 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -6.303 -4.738 11.664 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -6.589 -3.076 11.861 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -7.662 -4.019 10.943 1.00 0.00 H new ATOM 891 N MET A 53 -4.581 -2.119 4.960 1.00 0.00 N ATOM 892 CA MET A 53 -4.662 -3.004 3.751 1.00 0.00 C ATOM 893 C MET A 53 -6.081 -3.450 3.470 1.00 0.00 C ATOM 894 O MET A 53 -6.449 -3.708 2.332 1.00 0.00 O ATOM 895 CB MET A 53 -3.767 -4.246 3.874 1.00 0.00 C ATOM 896 CG MET A 53 -2.271 -3.965 3.841 1.00 0.00 C ATOM 897 SD MET A 53 -1.260 -5.472 3.819 1.00 0.00 S ATOM 898 CE MET A 53 -1.662 -6.206 5.407 1.00 0.00 C ATOM 0 H MET A 53 -3.926 -2.448 5.669 1.00 0.00 H new ATOM 0 HA MET A 53 -4.305 -2.395 2.920 1.00 0.00 H new ATOM 0 HB2 MET A 53 -4.005 -4.756 4.807 1.00 0.00 H new ATOM 0 HB3 MET A 53 -4.011 -4.933 3.064 1.00 0.00 H new ATOM 0 HG2 MET A 53 -2.040 -3.367 2.959 1.00 0.00 H new ATOM 0 HG3 MET A 53 -2.001 -3.367 4.711 1.00 0.00 H new ATOM 0 HE1 MET A 53 -0.963 -7.015 5.621 1.00 0.00 H new ATOM 0 HE2 MET A 53 -1.590 -5.448 6.187 1.00 0.00 H new ATOM 0 HE3 MET A 53 -2.677 -6.602 5.378 1.00 0.00 H new ATOM 908 N ASP A 54 -6.861 -3.512 4.523 1.00 0.00 N ATOM 909 CA ASP A 54 -8.292 -3.855 4.488 1.00 0.00 C ATOM 910 C ASP A 54 -9.072 -3.024 3.440 1.00 0.00 C ATOM 911 O ASP A 54 -10.026 -3.514 2.821 1.00 0.00 O ATOM 912 CB ASP A 54 -8.881 -3.616 5.881 1.00 0.00 C ATOM 913 CG ASP A 54 -10.361 -3.915 5.984 1.00 0.00 C ATOM 914 OD1 ASP A 54 -10.732 -5.091 6.226 1.00 0.00 O ATOM 915 OD2 ASP A 54 -11.176 -2.985 5.870 1.00 0.00 O ATOM 0 H ASP A 54 -6.521 -3.322 5.466 1.00 0.00 H new ATOM 0 HA ASP A 54 -8.387 -4.901 4.198 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -8.345 -4.234 6.602 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -8.710 -2.577 6.163 1.00 0.00 H new ATOM 920 N ASN A 55 -8.637 -1.799 3.210 1.00 0.00 N ATOM 921 CA ASN A 55 -9.320 -0.899 2.282 1.00 0.00 C ATOM 922 C ASN A 55 -8.706 -0.982 0.867 1.00 0.00 C ATOM 923 O ASN A 55 -9.280 -0.494 -0.108 1.00 0.00 O ATOM 924 CB ASN A 55 -9.236 0.546 2.817 1.00 0.00 C ATOM 925 CG ASN A 55 -10.120 1.540 2.072 1.00 0.00 C ATOM 926 OD1 ASN A 55 -11.279 1.740 2.436 1.00 0.00 O ATOM 927 ND2 ASN A 55 -9.590 2.195 1.062 1.00 0.00 N ATOM 0 H ASN A 55 -7.810 -1.397 3.652 1.00 0.00 H new ATOM 0 HA ASN A 55 -10.364 -1.202 2.208 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -9.514 0.548 3.871 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -8.201 0.883 2.760 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -10.142 2.889 0.558 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -8.627 2.009 0.782 1.00 0.00 H new ATOM 934 N LEU A 56 -7.572 -1.634 0.752 1.00 0.00 N ATOM 935 CA LEU A 56 -6.841 -1.683 -0.506 1.00 0.00 C ATOM 936 C LEU A 56 -7.267 -2.860 -1.379 1.00 0.00 C ATOM 937 O LEU A 56 -7.584 -3.939 -0.871 1.00 0.00 O ATOM 938 CB LEU A 56 -5.306 -1.686 -0.288 1.00 0.00 C ATOM 939 CG LEU A 56 -4.637 -0.338 0.078 1.00 0.00 C ATOM 940 CD1 LEU A 56 -4.838 0.696 -1.018 1.00 0.00 C ATOM 941 CD2 LEU A 56 -5.139 0.198 1.401 1.00 0.00 C ATOM 0 H LEU A 56 -7.128 -2.143 1.517 1.00 0.00 H new ATOM 0 HA LEU A 56 -7.099 -0.769 -1.041 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -5.079 -2.401 0.503 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -4.837 -2.059 -1.198 1.00 0.00 H new ATOM 0 HG LEU A 56 -3.569 -0.534 0.177 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -4.356 1.630 -0.730 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -4.398 0.332 -1.946 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -5.904 0.868 -1.165 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -4.645 1.144 1.621 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -6.216 0.355 1.345 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -4.918 -0.519 2.192 1.00 0.00 H new ATOM 953 N PRO A 57 -7.335 -2.653 -2.707 1.00 0.00 N ATOM 954 CA PRO A 57 -7.673 -3.707 -3.667 1.00 0.00 C ATOM 955 C PRO A 57 -6.588 -4.779 -3.752 1.00 0.00 C ATOM 956 O PRO A 57 -5.434 -4.570 -3.309 1.00 0.00 O ATOM 957 CB PRO A 57 -7.777 -2.973 -5.006 1.00 0.00 C ATOM 958 CG PRO A 57 -7.906 -1.542 -4.647 1.00 0.00 C ATOM 959 CD PRO A 57 -7.133 -1.370 -3.387 1.00 0.00 C ATOM 0 HA PRO A 57 -8.586 -4.227 -3.379 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -6.895 -3.148 -5.622 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -8.639 -3.316 -5.579 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -7.512 -0.903 -5.438 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -8.951 -1.267 -4.505 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -6.078 -1.177 -3.582 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -7.506 -0.535 -2.794 1.00 0.00 H new ATOM 967 N ILE A 58 -6.938 -5.899 -4.358 1.00 0.00 N ATOM 968 CA ILE A 58 -6.052 -7.042 -4.472 1.00 0.00 C ATOM 969 C ILE A 58 -4.767 -6.739 -5.214 1.00 0.00 C ATOM 970 O ILE A 58 -3.749 -7.337 -4.916 1.00 0.00 O ATOM 971 CB ILE A 58 -6.759 -8.332 -5.021 1.00 0.00 C ATOM 972 CG1 ILE A 58 -7.535 -8.110 -6.352 1.00 0.00 C ATOM 973 CG2 ILE A 58 -7.671 -8.922 -3.969 1.00 0.00 C ATOM 974 CD1 ILE A 58 -6.677 -7.958 -7.595 1.00 0.00 C ATOM 0 H ILE A 58 -7.852 -6.042 -4.788 1.00 0.00 H new ATOM 0 HA ILE A 58 -5.765 -7.267 -3.445 1.00 0.00 H new ATOM 0 HB ILE A 58 -5.960 -9.036 -5.254 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -8.213 -8.951 -6.501 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -8.152 -7.218 -6.247 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -8.153 -9.815 -4.365 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -7.087 -9.186 -3.087 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -8.431 -8.191 -3.695 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -7.318 -7.808 -8.464 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -6.017 -7.098 -7.479 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -6.079 -8.858 -7.736 1.00 0.00 H new ATOM 986 N GLU A 59 -4.823 -5.773 -6.135 1.00 0.00 N ATOM 987 CA GLU A 59 -3.664 -5.365 -6.932 1.00 0.00 C ATOM 988 C GLU A 59 -2.570 -4.865 -6.004 1.00 0.00 C ATOM 989 O GLU A 59 -1.445 -5.353 -6.015 1.00 0.00 O ATOM 990 CB GLU A 59 -4.045 -4.207 -7.857 1.00 0.00 C ATOM 991 CG GLU A 59 -5.284 -4.429 -8.696 1.00 0.00 C ATOM 992 CD GLU A 59 -5.598 -3.233 -9.562 1.00 0.00 C ATOM 993 OE1 GLU A 59 -5.650 -2.099 -9.041 1.00 0.00 O ATOM 994 OE2 GLU A 59 -5.777 -3.395 -10.792 1.00 0.00 O ATOM 0 H GLU A 59 -5.673 -5.252 -6.349 1.00 0.00 H new ATOM 0 HA GLU A 59 -3.325 -6.221 -7.516 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -4.192 -3.313 -7.251 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -3.206 -4.005 -8.524 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -5.143 -5.307 -9.326 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -6.132 -4.638 -8.044 1.00 0.00 H new ATOM 1001 N VAL A 60 -2.958 -3.940 -5.154 1.00 0.00 N ATOM 1002 CA VAL A 60 -2.051 -3.254 -4.251 1.00 0.00 C ATOM 1003 C VAL A 60 -1.550 -4.209 -3.189 1.00 0.00 C ATOM 1004 O VAL A 60 -0.351 -4.299 -2.935 1.00 0.00 O ATOM 1005 CB VAL A 60 -2.764 -2.054 -3.573 1.00 0.00 C ATOM 1006 CG1 VAL A 60 -1.798 -1.238 -2.721 1.00 0.00 C ATOM 1007 CG2 VAL A 60 -3.450 -1.175 -4.609 1.00 0.00 C ATOM 0 H VAL A 60 -3.928 -3.636 -5.067 1.00 0.00 H new ATOM 0 HA VAL A 60 -1.206 -2.884 -4.831 1.00 0.00 H new ATOM 0 HB VAL A 60 -3.528 -2.458 -2.908 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -2.332 -0.406 -2.262 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -1.375 -1.872 -1.942 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -0.996 -0.852 -3.350 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -3.943 -0.341 -4.110 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -2.708 -0.792 -5.309 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -4.191 -1.762 -5.151 1.00 0.00 H new ATOM 1017 N LYS A 61 -2.473 -4.965 -2.613 1.00 0.00 N ATOM 1018 CA LYS A 61 -2.139 -5.901 -1.547 1.00 0.00 C ATOM 1019 C LYS A 61 -1.213 -6.991 -2.043 1.00 0.00 C ATOM 1020 O LYS A 61 -0.362 -7.473 -1.303 1.00 0.00 O ATOM 1021 CB LYS A 61 -3.395 -6.507 -0.930 1.00 0.00 C ATOM 1022 CG LYS A 61 -4.341 -5.465 -0.374 1.00 0.00 C ATOM 1023 CD LYS A 61 -5.453 -6.072 0.473 1.00 0.00 C ATOM 1024 CE LYS A 61 -6.337 -7.039 -0.301 1.00 0.00 C ATOM 1025 NZ LYS A 61 -7.394 -7.604 0.561 1.00 0.00 N ATOM 0 H LYS A 61 -3.461 -4.949 -2.866 1.00 0.00 H new ATOM 0 HA LYS A 61 -1.617 -5.339 -0.773 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -3.916 -7.097 -1.684 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -3.107 -7.192 -0.132 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -3.777 -4.754 0.230 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -4.782 -4.904 -1.198 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -5.011 -6.594 1.321 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -6.071 -5.271 0.879 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -6.791 -6.523 -1.147 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -5.728 -7.845 -0.709 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -7.981 -8.259 0.006 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -6.958 -8.116 1.354 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -7.989 -6.835 0.930 1.00 0.00 H new ATOM 1039 N ASP A 62 -1.374 -7.352 -3.296 1.00 0.00 N ATOM 1040 CA ASP A 62 -0.534 -8.363 -3.937 1.00 0.00 C ATOM 1041 C ASP A 62 0.896 -7.881 -4.021 1.00 0.00 C ATOM 1042 O ASP A 62 1.834 -8.620 -3.691 1.00 0.00 O ATOM 1043 CB ASP A 62 -1.060 -8.703 -5.332 1.00 0.00 C ATOM 1044 CG ASP A 62 -0.194 -9.679 -6.075 1.00 0.00 C ATOM 1045 OD1 ASP A 62 -0.005 -10.829 -5.599 1.00 0.00 O ATOM 1046 OD2 ASP A 62 0.288 -9.334 -7.173 1.00 0.00 O ATOM 0 H ASP A 62 -2.089 -6.958 -3.908 1.00 0.00 H new ATOM 0 HA ASP A 62 -0.566 -9.267 -3.329 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -2.065 -9.115 -5.243 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -1.143 -7.785 -5.915 1.00 0.00 H new ATOM 1051 N LYS A 63 1.048 -6.627 -4.419 1.00 0.00 N ATOM 1052 CA LYS A 63 2.352 -5.993 -4.523 1.00 0.00 C ATOM 1053 C LYS A 63 3.017 -5.964 -3.155 1.00 0.00 C ATOM 1054 O LYS A 63 4.141 -6.473 -2.979 1.00 0.00 O ATOM 1055 CB LYS A 63 2.191 -4.557 -5.032 1.00 0.00 C ATOM 1056 CG LYS A 63 1.505 -4.438 -6.380 1.00 0.00 C ATOM 1057 CD LYS A 63 2.309 -5.092 -7.484 1.00 0.00 C ATOM 1058 CE LYS A 63 1.638 -4.936 -8.829 1.00 0.00 C ATOM 1059 NZ LYS A 63 2.360 -5.653 -9.898 1.00 0.00 N ATOM 0 H LYS A 63 0.270 -6.021 -4.679 1.00 0.00 H new ATOM 0 HA LYS A 63 2.969 -6.561 -5.220 1.00 0.00 H new ATOM 0 HB2 LYS A 63 1.622 -3.987 -4.298 1.00 0.00 H new ATOM 0 HB3 LYS A 63 3.177 -4.096 -5.099 1.00 0.00 H new ATOM 0 HG2 LYS A 63 0.519 -4.899 -6.327 1.00 0.00 H new ATOM 0 HG3 LYS A 63 1.352 -3.385 -6.617 1.00 0.00 H new ATOM 0 HD2 LYS A 63 3.305 -4.650 -7.520 1.00 0.00 H new ATOM 0 HD3 LYS A 63 2.438 -6.151 -7.262 1.00 0.00 H new ATOM 0 HE2 LYS A 63 0.616 -5.310 -8.769 1.00 0.00 H new ATOM 0 HE3 LYS A 63 1.576 -3.878 -9.082 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 1.864 -5.518 -10.802 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 3.328 -5.279 -9.974 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 2.398 -6.667 -9.672 1.00 0.00 H new ATOM 1073 N LEU A 64 2.281 -5.420 -2.192 1.00 0.00 N ATOM 1074 CA LEU A 64 2.726 -5.265 -0.817 1.00 0.00 C ATOM 1075 C LEU A 64 3.161 -6.593 -0.218 1.00 0.00 C ATOM 1076 O LEU A 64 4.290 -6.727 0.302 1.00 0.00 O ATOM 1077 CB LEU A 64 1.593 -4.677 0.038 1.00 0.00 C ATOM 1078 CG LEU A 64 1.054 -3.302 -0.372 1.00 0.00 C ATOM 1079 CD1 LEU A 64 -0.065 -2.872 0.562 1.00 0.00 C ATOM 1080 CD2 LEU A 64 2.163 -2.266 -0.380 1.00 0.00 C ATOM 0 H LEU A 64 1.337 -5.067 -2.352 1.00 0.00 H new ATOM 0 HA LEU A 64 3.582 -4.590 -0.822 1.00 0.00 H new ATOM 0 HB2 LEU A 64 0.762 -5.382 0.031 1.00 0.00 H new ATOM 0 HB3 LEU A 64 1.945 -4.610 1.067 1.00 0.00 H new ATOM 0 HG LEU A 64 0.655 -3.381 -1.383 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -0.437 -1.894 0.258 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -0.876 -3.599 0.517 1.00 0.00 H new ATOM 0 HD13 LEU A 64 0.314 -2.815 1.582 1.00 0.00 H new ATOM 0 HD21 LEU A 64 1.755 -1.299 -0.674 1.00 0.00 H new ATOM 0 HD22 LEU A 64 2.596 -2.189 0.617 1.00 0.00 H new ATOM 0 HD23 LEU A 64 2.935 -2.565 -1.089 1.00 0.00 H new ATOM 1092 N THR A 65 2.290 -7.581 -0.331 1.00 0.00 N ATOM 1093 CA THR A 65 2.524 -8.872 0.246 1.00 0.00 C ATOM 1094 C THR A 65 3.779 -9.523 -0.325 1.00 0.00 C ATOM 1095 O THR A 65 4.642 -9.956 0.423 1.00 0.00 O ATOM 1096 CB THR A 65 1.294 -9.800 0.070 1.00 0.00 C ATOM 1097 OG1 THR A 65 0.150 -9.179 0.671 1.00 0.00 O ATOM 1098 CG2 THR A 65 1.517 -11.164 0.722 1.00 0.00 C ATOM 0 H THR A 65 1.403 -7.500 -0.828 1.00 0.00 H new ATOM 0 HA THR A 65 2.684 -8.723 1.314 1.00 0.00 H new ATOM 0 HB THR A 65 1.137 -9.955 -0.997 1.00 0.00 H new ATOM 0 HG1 THR A 65 -0.348 -8.681 -0.011 1.00 0.00 H new ATOM 0 HG21 THR A 65 0.633 -11.785 0.577 1.00 0.00 H new ATOM 0 HG22 THR A 65 2.380 -11.649 0.266 1.00 0.00 H new ATOM 0 HG23 THR A 65 1.697 -11.032 1.789 1.00 0.00 H new ATOM 1106 N ARG A 66 3.923 -9.515 -1.626 1.00 0.00 N ATOM 1107 CA ARG A 66 5.036 -10.206 -2.244 1.00 0.00 C ATOM 1108 C ARG A 66 6.374 -9.478 -2.125 1.00 0.00 C ATOM 1109 O ARG A 66 7.420 -10.076 -2.354 1.00 0.00 O ATOM 1110 CB ARG A 66 4.725 -10.618 -3.678 1.00 0.00 C ATOM 1111 CG ARG A 66 3.644 -11.683 -3.760 1.00 0.00 C ATOM 1112 CD ARG A 66 3.419 -12.160 -5.176 1.00 0.00 C ATOM 1113 NE ARG A 66 2.839 -11.133 -6.052 1.00 0.00 N ATOM 1114 CZ ARG A 66 3.376 -10.724 -7.215 1.00 0.00 C ATOM 1115 NH1 ARG A 66 4.602 -11.085 -7.555 1.00 0.00 N ATOM 1116 NH2 ARG A 66 2.693 -9.924 -8.008 1.00 0.00 N ATOM 0 H ARG A 66 3.293 -9.044 -2.276 1.00 0.00 H new ATOM 0 HA ARG A 66 5.165 -11.118 -1.661 1.00 0.00 H new ATOM 0 HB2 ARG A 66 4.409 -9.741 -4.243 1.00 0.00 H new ATOM 0 HB3 ARG A 66 5.634 -10.991 -4.150 1.00 0.00 H new ATOM 0 HG2 ARG A 66 3.923 -12.530 -3.133 1.00 0.00 H new ATOM 0 HG3 ARG A 66 2.712 -11.284 -3.360 1.00 0.00 H new ATOM 0 HD2 ARG A 66 4.369 -12.491 -5.596 1.00 0.00 H new ATOM 0 HD3 ARG A 66 2.759 -13.027 -5.159 1.00 0.00 H new ATOM 0 HE ARG A 66 1.965 -10.698 -5.756 1.00 0.00 H new ATOM 0 HH11 ARG A 66 5.150 -11.679 -6.933 1.00 0.00 H new ATOM 0 HH12 ARG A 66 5.000 -10.769 -8.440 1.00 0.00 H new ATOM 0 HH21 ARG A 66 1.758 -9.616 -7.739 1.00 0.00 H new ATOM 0 HH22 ARG A 66 3.099 -9.613 -8.891 1.00 0.00 H new ATOM 1130 N PHE A 67 6.357 -8.213 -1.766 1.00 0.00 N ATOM 1131 CA PHE A 67 7.606 -7.477 -1.644 1.00 0.00 C ATOM 1132 C PHE A 67 8.213 -7.598 -0.236 1.00 0.00 C ATOM 1133 O PHE A 67 9.360 -8.020 -0.077 1.00 0.00 O ATOM 1134 CB PHE A 67 7.412 -5.997 -2.018 1.00 0.00 C ATOM 1135 CG PHE A 67 8.697 -5.189 -2.112 1.00 0.00 C ATOM 1136 CD1 PHE A 67 9.495 -5.276 -3.240 1.00 0.00 C ATOM 1137 CD2 PHE A 67 9.103 -4.345 -1.076 1.00 0.00 C ATOM 1138 CE1 PHE A 67 10.663 -4.544 -3.342 1.00 0.00 C ATOM 1139 CE2 PHE A 67 10.270 -3.614 -1.175 1.00 0.00 C ATOM 1140 CZ PHE A 67 11.051 -3.715 -2.308 1.00 0.00 C ATOM 0 H PHE A 67 5.514 -7.678 -1.556 1.00 0.00 H new ATOM 0 HA PHE A 67 8.309 -7.927 -2.345 1.00 0.00 H new ATOM 0 HB2 PHE A 67 6.895 -5.944 -2.976 1.00 0.00 H new ATOM 0 HB3 PHE A 67 6.760 -5.532 -1.278 1.00 0.00 H new ATOM 0 HD1 PHE A 67 9.201 -5.925 -4.052 1.00 0.00 H new ATOM 0 HD2 PHE A 67 8.496 -4.263 -0.186 1.00 0.00 H new ATOM 0 HE1 PHE A 67 11.272 -4.620 -4.230 1.00 0.00 H new ATOM 0 HE2 PHE A 67 10.571 -2.964 -0.367 1.00 0.00 H new ATOM 0 HZ PHE A 67 11.966 -3.146 -2.386 1.00 0.00 H new ATOM 1150 N PHE A 68 7.448 -7.241 0.781 1.00 0.00 N ATOM 1151 CA PHE A 68 8.009 -7.168 2.135 1.00 0.00 C ATOM 1152 C PHE A 68 7.340 -8.087 3.150 1.00 0.00 C ATOM 1153 O PHE A 68 7.733 -8.106 4.326 1.00 0.00 O ATOM 1154 CB PHE A 68 7.942 -5.717 2.647 1.00 0.00 C ATOM 1155 CG PHE A 68 6.553 -5.122 2.624 1.00 0.00 C ATOM 1156 CD1 PHE A 68 5.609 -5.477 3.579 1.00 0.00 C ATOM 1157 CD2 PHE A 68 6.189 -4.226 1.640 1.00 0.00 C ATOM 1158 CE1 PHE A 68 4.346 -4.952 3.549 1.00 0.00 C ATOM 1159 CE2 PHE A 68 4.922 -3.695 1.608 1.00 0.00 C ATOM 1160 CZ PHE A 68 4.001 -4.060 2.561 1.00 0.00 C ATOM 0 H PHE A 68 6.459 -7.001 0.708 1.00 0.00 H new ATOM 0 HA PHE A 68 9.039 -7.513 2.045 1.00 0.00 H new ATOM 0 HB2 PHE A 68 8.324 -5.684 3.668 1.00 0.00 H new ATOM 0 HB3 PHE A 68 8.602 -5.097 2.040 1.00 0.00 H new ATOM 0 HD1 PHE A 68 5.876 -6.178 4.356 1.00 0.00 H new ATOM 0 HD2 PHE A 68 6.908 -3.939 0.887 1.00 0.00 H new ATOM 0 HE1 PHE A 68 3.623 -5.237 4.299 1.00 0.00 H new ATOM 0 HE2 PHE A 68 4.650 -2.992 0.835 1.00 0.00 H new ATOM 0 HZ PHE A 68 3.004 -3.645 2.534 1.00 0.00 H new ATOM 1170 N LEU A 69 6.335 -8.809 2.753 1.00 0.00 N ATOM 1171 CA LEU A 69 5.583 -9.564 3.726 1.00 0.00 C ATOM 1172 C LEU A 69 5.750 -11.069 3.558 1.00 0.00 C ATOM 1173 O LEU A 69 6.344 -11.727 4.424 1.00 0.00 O ATOM 1174 CB LEU A 69 4.114 -9.157 3.643 1.00 0.00 C ATOM 1175 CG LEU A 69 3.160 -9.716 4.705 1.00 0.00 C ATOM 1176 CD1 LEU A 69 3.614 -9.330 6.108 1.00 0.00 C ATOM 1177 CD2 LEU A 69 1.746 -9.211 4.448 1.00 0.00 C ATOM 0 H LEU A 69 6.017 -8.895 1.788 1.00 0.00 H new ATOM 0 HA LEU A 69 5.974 -9.330 4.716 1.00 0.00 H new ATOM 0 HB2 LEU A 69 4.064 -8.069 3.686 1.00 0.00 H new ATOM 0 HB3 LEU A 69 3.738 -9.455 2.664 1.00 0.00 H new ATOM 0 HG LEU A 69 3.169 -10.804 4.637 1.00 0.00 H new ATOM 0 HD11 LEU A 69 2.919 -9.740 6.841 1.00 0.00 H new ATOM 0 HD12 LEU A 69 4.611 -9.730 6.291 1.00 0.00 H new ATOM 0 HD13 LEU A 69 3.637 -8.244 6.197 1.00 0.00 H new ATOM 0 HD21 LEU A 69 1.073 -9.612 5.206 1.00 0.00 H new ATOM 0 HD22 LEU A 69 1.735 -8.122 4.492 1.00 0.00 H new ATOM 0 HD23 LEU A 69 1.417 -9.537 3.461 1.00 0.00 H new