USER MOD reduce.3.24.130724 H: found=0, std=0, add=514, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 514 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 22 LYS NZ :NH3+ 145:sc= -0.453 (180deg=-1.04) USER MOD Set 1.2: A 25 LYS NZ :NH3+ 166:sc= 0 (180deg=-0.181) USER MOD Single : A 5 TYR OH : rot 180:sc= -0.697 USER MOD Single : A 6 TYR OH : rot 11:sc= -4.01! USER MOD Single : A 12 SER OG : rot 180:sc= 0.013 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 TYR OH : rot 23:sc= 0.035 USER MOD Single : A 29 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 HIS : no HD1:sc= -10.2! C(o=-10!,f=-11!) USER MOD Single : A 36 ASN : amide:sc= -9.8! C(o=-9.8!,f=-12!) USER MOD Single : A 37 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ -123:sc= -1.45! (180deg=-2.73!) USER MOD Single : A 50 LYS NZ :NH3+ 164:sc= 0 (180deg=-0.309) USER MOD Single : A 53 TYR OH : rot -45:sc= -0.57 USER MOD Single : A 57 THR OG1 : rot -12:sc= -1.4! USER MOD Single : A 59 SER OG : rot 180:sc= -0.285 USER MOD Single : A 60 GLN : amide:sc= -6.08! C(o=-6.1!,f=-7.2!) USER MOD Single : A 61 LYS NZ :NH3+ -155:sc= 0 (180deg=-0.897) USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 52 N ASP A 4 65.240 -5.846 2.886 1.00 0.00 N ATOM 53 CA ASP A 4 63.765 -5.882 3.133 1.00 0.00 C ATOM 54 C ASP A 4 63.186 -4.488 3.097 1.00 0.00 C ATOM 55 O ASP A 4 63.224 -3.767 4.052 1.00 0.00 O ATOM 56 CB ASP A 4 63.545 -6.511 4.523 1.00 0.00 C ATOM 57 CG ASP A 4 64.877 -6.908 5.175 1.00 0.00 C ATOM 58 OD1 ASP A 4 65.514 -7.816 4.669 1.00 0.00 O ATOM 59 OD2 ASP A 4 65.233 -6.295 6.169 1.00 0.00 O ATOM 0 HA ASP A 4 63.266 -6.467 2.360 1.00 0.00 H new ATOM 0 HB2 ASP A 4 63.020 -5.804 5.165 1.00 0.00 H new ATOM 0 HB3 ASP A 4 62.908 -7.390 4.429 1.00 0.00 H new ATOM 64 N TYR A 5 62.656 -4.131 1.977 1.00 0.00 N ATOM 65 CA TYR A 5 62.034 -2.777 1.800 1.00 0.00 C ATOM 66 C TYR A 5 61.405 -2.264 3.103 1.00 0.00 C ATOM 67 O TYR A 5 61.861 -1.296 3.674 1.00 0.00 O ATOM 68 CB TYR A 5 60.962 -2.924 0.709 1.00 0.00 C ATOM 69 CG TYR A 5 60.915 -4.333 0.174 1.00 0.00 C ATOM 70 CD1 TYR A 5 60.390 -5.364 0.955 1.00 0.00 C ATOM 71 CD2 TYR A 5 61.437 -4.604 -1.093 1.00 0.00 C ATOM 72 CE1 TYR A 5 60.377 -6.674 0.462 1.00 0.00 C ATOM 73 CE2 TYR A 5 61.429 -5.912 -1.588 1.00 0.00 C ATOM 74 CZ TYR A 5 60.897 -6.949 -0.810 1.00 0.00 C ATOM 75 OH TYR A 5 60.891 -8.241 -1.296 1.00 0.00 O ATOM 0 H TYR A 5 62.620 -4.724 1.148 1.00 0.00 H new ATOM 0 HA TYR A 5 62.794 -2.049 1.518 1.00 0.00 H new ATOM 0 HB2 TYR A 5 59.987 -2.654 1.115 1.00 0.00 H new ATOM 0 HB3 TYR A 5 61.171 -2.230 -0.105 1.00 0.00 H new ATOM 0 HD1 TYR A 5 59.995 -5.151 1.937 1.00 0.00 H new ATOM 0 HD2 TYR A 5 61.847 -3.803 -1.691 1.00 0.00 H new ATOM 0 HE1 TYR A 5 59.966 -7.473 1.062 1.00 0.00 H new ATOM 0 HE2 TYR A 5 61.832 -6.122 -2.568 1.00 0.00 H new ATOM 0 HH TYR A 5 61.287 -8.255 -2.192 1.00 0.00 H new ATOM 85 N TYR A 6 60.369 -2.883 3.593 1.00 0.00 N ATOM 86 CA TYR A 6 59.772 -2.379 4.859 1.00 0.00 C ATOM 87 C TYR A 6 60.895 -2.166 5.875 1.00 0.00 C ATOM 88 O TYR A 6 60.840 -1.301 6.723 1.00 0.00 O ATOM 89 CB TYR A 6 58.774 -3.452 5.282 1.00 0.00 C ATOM 90 CG TYR A 6 57.724 -3.546 4.203 1.00 0.00 C ATOM 91 CD1 TYR A 6 56.652 -2.648 4.196 1.00 0.00 C ATOM 92 CD2 TYR A 6 57.837 -4.509 3.196 1.00 0.00 C ATOM 93 CE1 TYR A 6 55.688 -2.717 3.185 1.00 0.00 C ATOM 94 CE2 TYR A 6 56.877 -4.575 2.182 1.00 0.00 C ATOM 95 CZ TYR A 6 55.802 -3.680 2.178 1.00 0.00 C ATOM 96 OH TYR A 6 54.858 -3.746 1.176 1.00 0.00 O ATOM 0 H TYR A 6 59.917 -3.700 3.182 1.00 0.00 H new ATOM 0 HA TYR A 6 59.261 -1.421 4.763 1.00 0.00 H new ATOM 0 HB2 TYR A 6 59.275 -4.411 5.414 1.00 0.00 H new ATOM 0 HB3 TYR A 6 58.319 -3.196 6.239 1.00 0.00 H new ATOM 0 HD1 TYR A 6 56.568 -1.901 4.971 1.00 0.00 H new ATOM 0 HD2 TYR A 6 58.666 -5.202 3.201 1.00 0.00 H new ATOM 0 HE1 TYR A 6 54.857 -2.027 3.182 1.00 0.00 H new ATOM 0 HE2 TYR A 6 56.965 -5.317 1.402 1.00 0.00 H new ATOM 0 HH TYR A 6 54.283 -2.953 1.215 1.00 0.00 H new ATOM 106 N GLU A 7 61.955 -2.903 5.739 1.00 0.00 N ATOM 107 CA GLU A 7 63.124 -2.707 6.634 1.00 0.00 C ATOM 108 C GLU A 7 64.038 -1.672 5.978 1.00 0.00 C ATOM 109 O GLU A 7 64.716 -0.906 6.634 1.00 0.00 O ATOM 110 CB GLU A 7 63.810 -4.071 6.721 1.00 0.00 C ATOM 111 CG GLU A 7 64.897 -4.028 7.797 1.00 0.00 C ATOM 112 CD GLU A 7 64.268 -4.253 9.173 1.00 0.00 C ATOM 113 OE1 GLU A 7 63.058 -4.137 9.277 1.00 0.00 O ATOM 114 OE2 GLU A 7 65.008 -4.537 10.100 1.00 0.00 O ATOM 0 H GLU A 7 62.064 -3.639 5.041 1.00 0.00 H new ATOM 0 HA GLU A 7 62.859 -2.353 7.630 1.00 0.00 H new ATOM 0 HB2 GLU A 7 63.078 -4.843 6.959 1.00 0.00 H new ATOM 0 HB3 GLU A 7 64.247 -4.332 5.757 1.00 0.00 H new ATOM 0 HG2 GLU A 7 65.648 -4.793 7.600 1.00 0.00 H new ATOM 0 HG3 GLU A 7 65.408 -3.066 7.773 1.00 0.00 H new ATOM 121 N ILE A 8 64.041 -1.650 4.668 1.00 0.00 N ATOM 122 CA ILE A 8 64.883 -0.678 3.930 1.00 0.00 C ATOM 123 C ILE A 8 64.635 0.716 4.479 1.00 0.00 C ATOM 124 O ILE A 8 65.524 1.391 4.958 1.00 0.00 O ATOM 125 CB ILE A 8 64.417 -0.753 2.475 1.00 0.00 C ATOM 126 CG1 ILE A 8 64.958 -2.040 1.841 1.00 0.00 C ATOM 127 CG2 ILE A 8 64.951 0.445 1.693 1.00 0.00 C ATOM 128 CD1 ILE A 8 66.476 -1.944 1.690 1.00 0.00 C ATOM 0 H ILE A 8 63.488 -2.273 4.079 1.00 0.00 H new ATOM 0 HA ILE A 8 65.947 -0.897 4.024 1.00 0.00 H new ATOM 0 HB ILE A 8 63.327 -0.747 2.447 1.00 0.00 H new ATOM 0 HG12 ILE A 8 64.699 -2.898 2.461 1.00 0.00 H new ATOM 0 HG13 ILE A 8 64.496 -2.199 0.867 1.00 0.00 H new ATOM 0 HG21 ILE A 8 64.614 0.383 0.658 1.00 0.00 H new ATOM 0 HG22 ILE A 8 64.580 1.367 2.141 1.00 0.00 H new ATOM 0 HG23 ILE A 8 66.041 0.441 1.721 1.00 0.00 H new ATOM 0 HD11 ILE A 8 66.855 -2.861 1.239 1.00 0.00 H new ATOM 0 HD12 ILE A 8 66.725 -1.096 1.052 1.00 0.00 H new ATOM 0 HD13 ILE A 8 66.931 -1.807 2.671 1.00 0.00 H new ATOM 140 N LEU A 9 63.410 1.139 4.401 1.00 0.00 N ATOM 141 CA LEU A 9 63.041 2.491 4.904 1.00 0.00 C ATOM 142 C LEU A 9 62.604 2.417 6.366 1.00 0.00 C ATOM 143 O LEU A 9 61.758 3.174 6.800 1.00 0.00 O ATOM 144 CB LEU A 9 61.879 2.910 4.013 1.00 0.00 C ATOM 145 CG LEU A 9 62.302 2.762 2.555 1.00 0.00 C ATOM 146 CD1 LEU A 9 61.400 1.740 1.859 1.00 0.00 C ATOM 147 CD2 LEU A 9 62.188 4.116 1.854 1.00 0.00 C ATOM 0 H LEU A 9 62.638 0.602 4.006 1.00 0.00 H new ATOM 0 HA LEU A 9 63.871 3.197 4.869 1.00 0.00 H new ATOM 0 HB2 LEU A 9 61.005 2.292 4.217 1.00 0.00 H new ATOM 0 HB3 LEU A 9 61.596 3.942 4.221 1.00 0.00 H new ATOM 0 HG LEU A 9 63.335 2.417 2.508 1.00 0.00 H new ATOM 0 HD11 LEU A 9 61.704 1.636 0.817 1.00 0.00 H new ATOM 0 HD12 LEU A 9 61.488 0.776 2.361 1.00 0.00 H new ATOM 0 HD13 LEU A 9 60.365 2.079 1.903 1.00 0.00 H new ATOM 0 HD21 LEU A 9 62.490 4.013 0.812 1.00 0.00 H new ATOM 0 HD22 LEU A 9 61.156 4.464 1.900 1.00 0.00 H new ATOM 0 HD23 LEU A 9 62.837 4.838 2.350 1.00 0.00 H new ATOM 159 N GLY A 10 63.141 1.500 7.129 1.00 0.00 N ATOM 160 CA GLY A 10 62.700 1.389 8.549 1.00 0.00 C ATOM 161 C GLY A 10 61.173 1.423 8.557 1.00 0.00 C ATOM 162 O GLY A 10 60.542 1.852 9.503 1.00 0.00 O ATOM 0 H GLY A 10 63.855 0.833 6.835 1.00 0.00 H new ATOM 0 HA2 GLY A 10 63.066 0.463 8.993 1.00 0.00 H new ATOM 0 HA3 GLY A 10 63.105 2.209 9.142 1.00 0.00 H new ATOM 166 N VAL A 11 60.588 0.988 7.473 1.00 0.00 N ATOM 167 CA VAL A 11 59.106 0.994 7.337 1.00 0.00 C ATOM 168 C VAL A 11 58.515 -0.302 7.860 1.00 0.00 C ATOM 169 O VAL A 11 58.648 -1.334 7.233 1.00 0.00 O ATOM 170 CB VAL A 11 58.881 1.085 5.820 1.00 0.00 C ATOM 171 CG1 VAL A 11 57.484 0.592 5.414 1.00 0.00 C ATOM 172 CG2 VAL A 11 59.038 2.528 5.373 1.00 0.00 C ATOM 0 H VAL A 11 61.086 0.622 6.662 1.00 0.00 H new ATOM 0 HA VAL A 11 58.639 1.805 7.897 1.00 0.00 H new ATOM 0 HB VAL A 11 59.621 0.446 5.339 1.00 0.00 H new ATOM 0 HG11 VAL A 11 57.369 0.674 4.333 1.00 0.00 H new ATOM 0 HG12 VAL A 11 57.364 -0.449 5.713 1.00 0.00 H new ATOM 0 HG13 VAL A 11 56.726 1.201 5.907 1.00 0.00 H new ATOM 0 HG21 VAL A 11 58.879 2.595 4.297 1.00 0.00 H new ATOM 0 HG22 VAL A 11 58.306 3.150 5.888 1.00 0.00 H new ATOM 0 HG23 VAL A 11 60.043 2.876 5.613 1.00 0.00 H new ATOM 182 N SER A 12 57.813 -0.267 8.962 1.00 0.00 N ATOM 183 CA SER A 12 57.175 -1.519 9.439 1.00 0.00 C ATOM 184 C SER A 12 56.576 -2.213 8.224 1.00 0.00 C ATOM 185 O SER A 12 56.138 -1.554 7.302 1.00 0.00 O ATOM 186 CB SER A 12 56.082 -1.080 10.413 1.00 0.00 C ATOM 187 OG SER A 12 56.654 -0.271 11.432 1.00 0.00 O ATOM 0 H SER A 12 57.658 0.559 9.540 1.00 0.00 H new ATOM 0 HA SER A 12 57.865 -2.205 9.930 1.00 0.00 H new ATOM 0 HB2 SER A 12 55.309 -0.524 9.883 1.00 0.00 H new ATOM 0 HB3 SER A 12 55.601 -1.953 10.854 1.00 0.00 H new ATOM 0 HG SER A 12 55.954 0.013 12.056 1.00 0.00 H new ATOM 193 N LYS A 13 56.584 -3.513 8.174 1.00 0.00 N ATOM 194 CA LYS A 13 56.032 -4.186 6.968 1.00 0.00 C ATOM 195 C LYS A 13 54.743 -3.500 6.531 1.00 0.00 C ATOM 196 O LYS A 13 54.347 -3.571 5.385 1.00 0.00 O ATOM 197 CB LYS A 13 55.794 -5.631 7.374 1.00 0.00 C ATOM 198 CG LYS A 13 54.800 -5.684 8.536 1.00 0.00 C ATOM 199 CD LYS A 13 55.438 -6.416 9.719 1.00 0.00 C ATOM 200 CE LYS A 13 54.769 -5.966 11.018 1.00 0.00 C ATOM 201 NZ LYS A 13 55.709 -6.380 12.097 1.00 0.00 N ATOM 0 H LYS A 13 56.942 -4.131 8.902 1.00 0.00 H new ATOM 0 HA LYS A 13 56.711 -4.134 6.117 1.00 0.00 H new ATOM 0 HB2 LYS A 13 55.408 -6.198 6.527 1.00 0.00 H new ATOM 0 HB3 LYS A 13 56.735 -6.096 7.667 1.00 0.00 H new ATOM 0 HG2 LYS A 13 54.514 -4.674 8.831 1.00 0.00 H new ATOM 0 HG3 LYS A 13 53.889 -6.196 8.226 1.00 0.00 H new ATOM 0 HD2 LYS A 13 55.329 -7.493 9.595 1.00 0.00 H new ATOM 0 HD3 LYS A 13 56.507 -6.206 9.756 1.00 0.00 H new ATOM 0 HE2 LYS A 13 54.608 -4.888 11.027 1.00 0.00 H new ATOM 0 HE3 LYS A 13 53.793 -6.435 11.143 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 55.319 -6.105 13.021 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 55.838 -7.412 12.068 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 56.627 -5.913 11.956 1.00 0.00 H new ATOM 215 N THR A 14 54.095 -2.816 7.430 1.00 0.00 N ATOM 216 CA THR A 14 52.850 -2.107 7.059 1.00 0.00 C ATOM 217 C THR A 14 52.983 -0.609 7.376 1.00 0.00 C ATOM 218 O THR A 14 51.997 0.067 7.594 1.00 0.00 O ATOM 219 CB THR A 14 51.759 -2.762 7.909 1.00 0.00 C ATOM 220 OG1 THR A 14 51.799 -2.232 9.227 1.00 0.00 O ATOM 221 CG2 THR A 14 51.995 -4.275 7.957 1.00 0.00 C ATOM 0 H THR A 14 54.377 -2.720 8.405 1.00 0.00 H new ATOM 0 HA THR A 14 52.624 -2.178 5.995 1.00 0.00 H new ATOM 0 HB THR A 14 50.783 -2.558 7.469 1.00 0.00 H new ATOM 0 HG1 THR A 14 51.099 -2.651 9.770 1.00 0.00 H new ATOM 0 HG21 THR A 14 51.220 -4.745 8.562 1.00 0.00 H new ATOM 0 HG22 THR A 14 51.962 -4.681 6.946 1.00 0.00 H new ATOM 0 HG23 THR A 14 52.971 -4.477 8.398 1.00 0.00 H new ATOM 229 N ALA A 15 54.190 -0.072 7.402 1.00 0.00 N ATOM 230 CA ALA A 15 54.343 1.382 7.696 1.00 0.00 C ATOM 231 C ALA A 15 53.577 2.215 6.667 1.00 0.00 C ATOM 232 O ALA A 15 52.488 1.875 6.253 1.00 0.00 O ATOM 233 CB ALA A 15 55.838 1.655 7.598 1.00 0.00 C ATOM 0 H ALA A 15 55.059 -0.578 7.233 1.00 0.00 H new ATOM 0 HA ALA A 15 53.946 1.646 8.676 1.00 0.00 H new ATOM 0 HB1 ALA A 15 56.030 2.708 7.803 1.00 0.00 H new ATOM 0 HB2 ALA A 15 56.368 1.042 8.326 1.00 0.00 H new ATOM 0 HB3 ALA A 15 56.187 1.411 6.595 1.00 0.00 H new ATOM 239 N GLU A 16 54.145 3.305 6.251 1.00 0.00 N ATOM 240 CA GLU A 16 53.476 4.172 5.257 1.00 0.00 C ATOM 241 C GLU A 16 54.526 4.857 4.381 1.00 0.00 C ATOM 242 O GLU A 16 55.623 4.363 4.206 1.00 0.00 O ATOM 243 CB GLU A 16 52.700 5.194 6.087 1.00 0.00 C ATOM 244 CG GLU A 16 51.207 5.006 5.841 1.00 0.00 C ATOM 245 CD GLU A 16 50.413 5.636 6.987 1.00 0.00 C ATOM 246 OE1 GLU A 16 50.480 5.111 8.086 1.00 0.00 O ATOM 247 OE2 GLU A 16 49.753 6.632 6.746 1.00 0.00 O ATOM 0 H GLU A 16 55.058 3.635 6.563 1.00 0.00 H new ATOM 0 HA GLU A 16 52.818 3.619 4.587 1.00 0.00 H new ATOM 0 HB2 GLU A 16 52.925 5.068 7.146 1.00 0.00 H new ATOM 0 HB3 GLU A 16 53.001 6.206 5.816 1.00 0.00 H new ATOM 0 HG2 GLU A 16 50.924 5.465 4.894 1.00 0.00 H new ATOM 0 HG3 GLU A 16 50.972 3.944 5.763 1.00 0.00 H new ATOM 254 N GLU A 17 54.196 5.980 3.823 1.00 0.00 N ATOM 255 CA GLU A 17 55.165 6.698 2.944 1.00 0.00 C ATOM 256 C GLU A 17 56.042 7.670 3.749 1.00 0.00 C ATOM 257 O GLU A 17 57.132 8.015 3.337 1.00 0.00 O ATOM 258 CB GLU A 17 54.299 7.461 1.942 1.00 0.00 C ATOM 259 CG GLU A 17 53.543 8.572 2.666 1.00 0.00 C ATOM 260 CD GLU A 17 52.319 8.977 1.841 1.00 0.00 C ATOM 261 OE1 GLU A 17 52.501 9.353 0.696 1.00 0.00 O ATOM 262 OE2 GLU A 17 51.223 8.903 2.371 1.00 0.00 O ATOM 0 H GLU A 17 53.292 6.439 3.935 1.00 0.00 H new ATOM 0 HA GLU A 17 55.852 6.006 2.457 1.00 0.00 H new ATOM 0 HB2 GLU A 17 54.922 7.884 1.154 1.00 0.00 H new ATOM 0 HB3 GLU A 17 53.596 6.781 1.461 1.00 0.00 H new ATOM 0 HG2 GLU A 17 53.233 8.231 3.654 1.00 0.00 H new ATOM 0 HG3 GLU A 17 54.195 9.433 2.816 1.00 0.00 H new ATOM 269 N ARG A 18 55.574 8.133 4.878 1.00 0.00 N ATOM 270 CA ARG A 18 56.389 9.099 5.680 1.00 0.00 C ATOM 271 C ARG A 18 57.692 8.447 6.156 1.00 0.00 C ATOM 272 O ARG A 18 58.701 9.101 6.304 1.00 0.00 O ATOM 273 CB ARG A 18 55.505 9.482 6.867 1.00 0.00 C ATOM 274 CG ARG A 18 54.925 8.218 7.500 1.00 0.00 C ATOM 275 CD ARG A 18 55.212 8.221 9.003 1.00 0.00 C ATOM 276 NE ARG A 18 54.502 9.422 9.526 1.00 0.00 N ATOM 277 CZ ARG A 18 54.951 10.037 10.584 1.00 0.00 C ATOM 278 NH1 ARG A 18 56.234 10.233 10.731 1.00 0.00 N ATOM 279 NH2 ARG A 18 54.119 10.460 11.496 1.00 0.00 N ATOM 0 H ARG A 18 54.669 7.888 5.279 1.00 0.00 H new ATOM 0 HA ARG A 18 56.679 9.971 5.094 1.00 0.00 H new ATOM 0 HB2 ARG A 18 56.087 10.036 7.603 1.00 0.00 H new ATOM 0 HB3 ARG A 18 54.700 10.139 6.537 1.00 0.00 H new ATOM 0 HG2 ARG A 18 53.850 8.171 7.324 1.00 0.00 H new ATOM 0 HG3 ARG A 18 55.362 7.333 7.037 1.00 0.00 H new ATOM 0 HD2 ARG A 18 54.848 7.309 9.477 1.00 0.00 H new ATOM 0 HD3 ARG A 18 56.282 8.277 9.201 1.00 0.00 H new ATOM 0 HE ARG A 18 53.664 9.763 9.056 1.00 0.00 H new ATOM 0 HH11 ARG A 18 56.885 9.905 10.018 1.00 0.00 H new ATOM 0 HH12 ARG A 18 56.585 10.714 11.559 1.00 0.00 H new ATOM 0 HH21 ARG A 18 53.117 10.309 11.381 1.00 0.00 H new ATOM 0 HH22 ARG A 18 54.471 10.941 12.324 1.00 0.00 H new ATOM 293 N GLU A 19 57.690 7.158 6.355 1.00 0.00 N ATOM 294 CA GLU A 19 58.937 6.467 6.769 1.00 0.00 C ATOM 295 C GLU A 19 59.686 6.094 5.499 1.00 0.00 C ATOM 296 O GLU A 19 60.884 5.897 5.492 1.00 0.00 O ATOM 297 CB GLU A 19 58.530 5.209 7.555 1.00 0.00 C ATOM 298 CG GLU A 19 57.203 4.630 7.056 1.00 0.00 C ATOM 299 CD GLU A 19 56.052 5.250 7.848 1.00 0.00 C ATOM 300 OE1 GLU A 19 56.280 5.638 8.982 1.00 0.00 O ATOM 301 OE2 GLU A 19 54.964 5.326 7.308 1.00 0.00 O ATOM 0 H GLU A 19 56.875 6.554 6.248 1.00 0.00 H new ATOM 0 HA GLU A 19 59.574 7.089 7.397 1.00 0.00 H new ATOM 0 HB2 GLU A 19 59.312 4.455 7.465 1.00 0.00 H new ATOM 0 HB3 GLU A 19 58.444 5.454 8.614 1.00 0.00 H new ATOM 0 HG2 GLU A 19 57.080 4.836 5.993 1.00 0.00 H new ATOM 0 HG3 GLU A 19 57.199 3.546 7.174 1.00 0.00 H new ATOM 308 N ILE A 20 58.965 6.036 4.414 1.00 0.00 N ATOM 309 CA ILE A 20 59.586 5.722 3.108 1.00 0.00 C ATOM 310 C ILE A 20 60.372 6.943 2.655 1.00 0.00 C ATOM 311 O ILE A 20 61.540 6.866 2.329 1.00 0.00 O ATOM 312 CB ILE A 20 58.395 5.460 2.183 1.00 0.00 C ATOM 313 CG1 ILE A 20 57.846 4.057 2.442 1.00 0.00 C ATOM 314 CG2 ILE A 20 58.831 5.570 0.724 1.00 0.00 C ATOM 315 CD1 ILE A 20 58.912 3.027 2.080 1.00 0.00 C ATOM 0 H ILE A 20 57.958 6.196 4.382 1.00 0.00 H new ATOM 0 HA ILE A 20 60.271 4.874 3.128 1.00 0.00 H new ATOM 0 HB ILE A 20 57.621 6.201 2.383 1.00 0.00 H new ATOM 0 HG12 ILE A 20 57.562 3.952 3.489 1.00 0.00 H new ATOM 0 HG13 ILE A 20 56.946 3.890 1.850 1.00 0.00 H new ATOM 0 HG21 ILE A 20 57.977 5.382 0.074 1.00 0.00 H new ATOM 0 HG22 ILE A 20 59.218 6.571 0.534 1.00 0.00 H new ATOM 0 HG23 ILE A 20 59.610 4.835 0.521 1.00 0.00 H new ATOM 0 HD11 ILE A 20 58.526 2.024 2.263 1.00 0.00 H new ATOM 0 HD12 ILE A 20 59.173 3.129 1.027 1.00 0.00 H new ATOM 0 HD13 ILE A 20 59.799 3.191 2.692 1.00 0.00 H new ATOM 327 N ARG A 21 59.736 8.077 2.664 1.00 0.00 N ATOM 328 CA ARG A 21 60.432 9.324 2.268 1.00 0.00 C ATOM 329 C ARG A 21 61.380 9.737 3.390 1.00 0.00 C ATOM 330 O ARG A 21 62.231 10.577 3.222 1.00 0.00 O ATOM 331 CB ARG A 21 59.314 10.357 2.085 1.00 0.00 C ATOM 332 CG ARG A 21 58.826 10.849 3.452 1.00 0.00 C ATOM 333 CD ARG A 21 59.759 11.948 3.964 1.00 0.00 C ATOM 334 NE ARG A 21 58.981 13.212 3.836 1.00 0.00 N ATOM 335 CZ ARG A 21 59.571 14.361 4.018 1.00 0.00 C ATOM 336 NH1 ARG A 21 60.804 14.530 3.625 1.00 0.00 N ATOM 337 NH2 ARG A 21 58.930 15.342 4.593 1.00 0.00 N ATOM 0 H ARG A 21 58.758 8.193 2.930 1.00 0.00 H new ATOM 0 HA ARG A 21 61.026 9.218 1.360 1.00 0.00 H new ATOM 0 HB2 ARG A 21 59.678 11.198 1.495 1.00 0.00 H new ATOM 0 HB3 ARG A 21 58.486 9.914 1.532 1.00 0.00 H new ATOM 0 HG2 ARG A 21 57.808 11.231 3.370 1.00 0.00 H new ATOM 0 HG3 ARG A 21 58.800 10.021 4.160 1.00 0.00 H new ATOM 0 HD2 ARG A 21 60.049 11.767 4.999 1.00 0.00 H new ATOM 0 HD3 ARG A 21 60.677 11.990 3.378 1.00 0.00 H new ATOM 0 HE ARG A 21 57.988 13.179 3.606 1.00 0.00 H new ATOM 0 HH11 ARG A 21 61.306 13.764 3.176 1.00 0.00 H new ATOM 0 HH12 ARG A 21 61.266 15.428 3.767 1.00 0.00 H new ATOM 0 HH21 ARG A 21 57.966 15.211 4.901 1.00 0.00 H new ATOM 0 HH22 ARG A 21 59.393 16.240 4.735 1.00 0.00 H new ATOM 351 N LYS A 22 61.214 9.161 4.543 1.00 0.00 N ATOM 352 CA LYS A 22 62.086 9.507 5.692 1.00 0.00 C ATOM 353 C LYS A 22 63.317 8.592 5.761 1.00 0.00 C ATOM 354 O LYS A 22 64.440 9.041 5.798 1.00 0.00 O ATOM 355 CB LYS A 22 61.200 9.292 6.921 1.00 0.00 C ATOM 356 CG LYS A 22 62.056 9.377 8.191 1.00 0.00 C ATOM 357 CD LYS A 22 63.047 10.541 8.073 1.00 0.00 C ATOM 358 CE LYS A 22 62.280 11.866 8.043 1.00 0.00 C ATOM 359 NZ LYS A 22 63.059 12.785 8.920 1.00 0.00 N ATOM 0 H LYS A 22 60.503 8.457 4.740 1.00 0.00 H new ATOM 0 HA LYS A 22 62.469 10.525 5.615 1.00 0.00 H new ATOM 0 HB2 LYS A 22 60.412 10.044 6.950 1.00 0.00 H new ATOM 0 HB3 LYS A 22 60.711 8.320 6.864 1.00 0.00 H new ATOM 0 HG2 LYS A 22 61.417 9.519 9.062 1.00 0.00 H new ATOM 0 HG3 LYS A 22 62.596 8.442 8.340 1.00 0.00 H new ATOM 0 HD2 LYS A 22 63.740 10.529 8.914 1.00 0.00 H new ATOM 0 HD3 LYS A 22 63.644 10.434 7.167 1.00 0.00 H new ATOM 0 HE2 LYS A 22 62.208 12.257 7.028 1.00 0.00 H new ATOM 0 HE3 LYS A 22 61.261 11.740 8.410 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 63.014 13.751 8.537 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 62.657 12.774 9.879 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 64.050 12.473 8.957 1.00 0.00 H new ATOM 373 N ALA A 23 63.104 7.310 5.823 1.00 0.00 N ATOM 374 CA ALA A 23 64.248 6.358 5.947 1.00 0.00 C ATOM 375 C ALA A 23 65.104 6.304 4.679 1.00 0.00 C ATOM 376 O ALA A 23 66.242 5.880 4.722 1.00 0.00 O ATOM 377 CB ALA A 23 63.597 5.006 6.203 1.00 0.00 C ATOM 0 H ALA A 23 62.182 6.874 5.793 1.00 0.00 H new ATOM 0 HA ALA A 23 64.927 6.664 6.743 1.00 0.00 H new ATOM 0 HB1 ALA A 23 64.370 4.244 6.307 1.00 0.00 H new ATOM 0 HB2 ALA A 23 63.008 5.053 7.119 1.00 0.00 H new ATOM 0 HB3 ALA A 23 62.947 4.751 5.366 1.00 0.00 H new ATOM 383 N TYR A 24 64.601 6.737 3.559 1.00 0.00 N ATOM 384 CA TYR A 24 65.434 6.707 2.339 1.00 0.00 C ATOM 385 C TYR A 24 66.201 8.011 2.282 1.00 0.00 C ATOM 386 O TYR A 24 67.397 8.041 2.109 1.00 0.00 O ATOM 387 CB TYR A 24 64.447 6.588 1.175 1.00 0.00 C ATOM 388 CG TYR A 24 65.194 6.705 -0.133 1.00 0.00 C ATOM 389 CD1 TYR A 24 66.546 6.343 -0.204 1.00 0.00 C ATOM 390 CD2 TYR A 24 64.538 7.183 -1.274 1.00 0.00 C ATOM 391 CE1 TYR A 24 67.239 6.457 -1.415 1.00 0.00 C ATOM 392 CE2 TYR A 24 65.232 7.297 -2.485 1.00 0.00 C ATOM 393 CZ TYR A 24 66.582 6.935 -2.555 1.00 0.00 C ATOM 394 OH TYR A 24 67.267 7.048 -3.748 1.00 0.00 O ATOM 0 H TYR A 24 63.658 7.106 3.440 1.00 0.00 H new ATOM 0 HA TYR A 24 66.151 5.886 2.311 1.00 0.00 H new ATOM 0 HB2 TYR A 24 63.925 5.633 1.223 1.00 0.00 H new ATOM 0 HB3 TYR A 24 63.690 7.369 1.245 1.00 0.00 H new ATOM 0 HD1 TYR A 24 67.053 5.976 0.676 1.00 0.00 H new ATOM 0 HD2 TYR A 24 63.497 7.464 -1.220 1.00 0.00 H new ATOM 0 HE1 TYR A 24 68.280 6.176 -1.470 1.00 0.00 H new ATOM 0 HE2 TYR A 24 64.725 7.664 -3.365 1.00 0.00 H new ATOM 0 HH TYR A 24 68.038 6.443 -3.741 1.00 0.00 H new ATOM 404 N LYS A 25 65.496 9.086 2.461 1.00 0.00 N ATOM 405 CA LYS A 25 66.126 10.427 2.450 1.00 0.00 C ATOM 406 C LYS A 25 66.999 10.613 3.698 1.00 0.00 C ATOM 407 O LYS A 25 67.887 11.438 3.724 1.00 0.00 O ATOM 408 CB LYS A 25 64.920 11.371 2.398 1.00 0.00 C ATOM 409 CG LYS A 25 64.964 12.433 3.502 1.00 0.00 C ATOM 410 CD LYS A 25 64.237 11.893 4.731 1.00 0.00 C ATOM 411 CE LYS A 25 64.646 12.702 5.964 1.00 0.00 C ATOM 412 NZ LYS A 25 64.014 14.036 5.774 1.00 0.00 N ATOM 0 H LYS A 25 64.488 9.091 2.618 1.00 0.00 H new ATOM 0 HA LYS A 25 66.807 10.605 1.617 1.00 0.00 H new ATOM 0 HB2 LYS A 25 64.888 11.862 1.426 1.00 0.00 H new ATOM 0 HB3 LYS A 25 64.003 10.790 2.492 1.00 0.00 H new ATOM 0 HG2 LYS A 25 65.997 12.677 3.751 1.00 0.00 H new ATOM 0 HG3 LYS A 25 64.493 13.354 3.159 1.00 0.00 H new ATOM 0 HD2 LYS A 25 63.159 11.954 4.584 1.00 0.00 H new ATOM 0 HD3 LYS A 25 64.480 10.840 4.877 1.00 0.00 H new ATOM 0 HE2 LYS A 25 64.298 12.227 6.881 1.00 0.00 H new ATOM 0 HE3 LYS A 25 65.730 12.786 6.040 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 64.043 14.565 6.669 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 64.531 14.564 5.043 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 63.025 13.912 5.477 1.00 0.00 H new ATOM 426 N ARG A 26 66.769 9.840 4.725 1.00 0.00 N ATOM 427 CA ARG A 26 67.612 9.973 5.947 1.00 0.00 C ATOM 428 C ARG A 26 69.017 9.446 5.649 1.00 0.00 C ATOM 429 O ARG A 26 70.006 10.115 5.867 1.00 0.00 O ATOM 430 CB ARG A 26 66.930 9.107 7.001 1.00 0.00 C ATOM 431 CG ARG A 26 65.853 9.927 7.703 1.00 0.00 C ATOM 432 CD ARG A 26 66.375 10.414 9.057 1.00 0.00 C ATOM 433 NE ARG A 26 65.907 9.394 10.036 1.00 0.00 N ATOM 434 CZ ARG A 26 66.601 9.162 11.118 1.00 0.00 C ATOM 435 NH1 ARG A 26 66.456 9.930 12.163 1.00 0.00 N ATOM 436 NH2 ARG A 26 67.437 8.162 11.156 1.00 0.00 N ATOM 0 H ARG A 26 66.040 9.128 4.771 1.00 0.00 H new ATOM 0 HA ARG A 26 67.709 11.006 6.281 1.00 0.00 H new ATOM 0 HB2 ARG A 26 66.488 8.227 6.535 1.00 0.00 H new ATOM 0 HB3 ARG A 26 67.662 8.750 7.725 1.00 0.00 H new ATOM 0 HG2 ARG A 26 65.570 10.778 7.084 1.00 0.00 H new ATOM 0 HG3 ARG A 26 64.957 9.323 7.844 1.00 0.00 H new ATOM 0 HD2 ARG A 26 67.462 10.492 9.057 1.00 0.00 H new ATOM 0 HD3 ARG A 26 65.985 11.403 9.299 1.00 0.00 H new ATOM 0 HE ARG A 26 65.045 8.877 9.862 1.00 0.00 H new ATOM 0 HH11 ARG A 26 65.801 10.711 12.135 1.00 0.00 H new ATOM 0 HH12 ARG A 26 66.998 9.749 13.008 1.00 0.00 H new ATOM 0 HH21 ARG A 26 67.550 7.560 10.340 1.00 0.00 H new ATOM 0 HH22 ARG A 26 67.978 7.982 12.001 1.00 0.00 H new ATOM 450 N LEU A 27 69.101 8.251 5.133 1.00 0.00 N ATOM 451 CA LEU A 27 70.426 7.668 4.789 1.00 0.00 C ATOM 452 C LEU A 27 70.899 8.256 3.467 1.00 0.00 C ATOM 453 O LEU A 27 72.078 8.363 3.197 1.00 0.00 O ATOM 454 CB LEU A 27 70.175 6.164 4.648 1.00 0.00 C ATOM 455 CG LEU A 27 69.491 5.865 3.312 1.00 0.00 C ATOM 456 CD1 LEU A 27 70.549 5.545 2.256 1.00 0.00 C ATOM 457 CD2 LEU A 27 68.557 4.665 3.477 1.00 0.00 C ATOM 0 H LEU A 27 68.302 7.650 4.934 1.00 0.00 H new ATOM 0 HA LEU A 27 71.190 7.878 5.538 1.00 0.00 H new ATOM 0 HB2 LEU A 27 71.119 5.623 4.711 1.00 0.00 H new ATOM 0 HB3 LEU A 27 69.552 5.813 5.470 1.00 0.00 H new ATOM 0 HG LEU A 27 68.915 6.735 2.996 1.00 0.00 H new ATOM 0 HD11 LEU A 27 70.061 5.332 1.305 1.00 0.00 H new ATOM 0 HD12 LEU A 27 71.216 6.399 2.139 1.00 0.00 H new ATOM 0 HD13 LEU A 27 71.126 4.675 2.571 1.00 0.00 H new ATOM 0 HD21 LEU A 27 68.069 4.450 2.526 1.00 0.00 H new ATOM 0 HD22 LEU A 27 69.134 3.796 3.793 1.00 0.00 H new ATOM 0 HD23 LEU A 27 67.802 4.892 4.229 1.00 0.00 H new ATOM 469 N ALA A 28 69.967 8.632 2.645 1.00 0.00 N ATOM 470 CA ALA A 28 70.310 9.212 1.329 1.00 0.00 C ATOM 471 C ALA A 28 70.834 10.631 1.519 1.00 0.00 C ATOM 472 O ALA A 28 71.814 11.023 0.918 1.00 0.00 O ATOM 473 CB ALA A 28 68.989 9.188 0.571 1.00 0.00 C ATOM 0 H ALA A 28 68.967 8.560 2.834 1.00 0.00 H new ATOM 0 HA ALA A 28 71.091 8.672 0.794 1.00 0.00 H new ATOM 0 HB1 ALA A 28 69.135 9.601 -0.427 1.00 0.00 H new ATOM 0 HB2 ALA A 28 68.634 8.160 0.490 1.00 0.00 H new ATOM 0 HB3 ALA A 28 68.251 9.785 1.107 1.00 0.00 H new ATOM 479 N MET A 29 70.219 11.398 2.378 1.00 0.00 N ATOM 480 CA MET A 29 70.744 12.769 2.610 1.00 0.00 C ATOM 481 C MET A 29 72.133 12.628 3.223 1.00 0.00 C ATOM 482 O MET A 29 72.988 13.480 3.079 1.00 0.00 O ATOM 483 CB MET A 29 69.770 13.442 3.584 1.00 0.00 C ATOM 484 CG MET A 29 69.954 12.861 4.986 1.00 0.00 C ATOM 485 SD MET A 29 70.927 14.011 5.992 1.00 0.00 S ATOM 486 CE MET A 29 69.755 14.159 7.362 1.00 0.00 C ATOM 0 H MET A 29 69.393 11.140 2.918 1.00 0.00 H new ATOM 0 HA MET A 29 70.824 13.364 1.700 1.00 0.00 H new ATOM 0 HB2 MET A 29 69.944 14.518 3.601 1.00 0.00 H new ATOM 0 HB3 MET A 29 68.744 13.290 3.249 1.00 0.00 H new ATOM 0 HG2 MET A 29 68.983 12.687 5.450 1.00 0.00 H new ATOM 0 HG3 MET A 29 70.457 11.896 4.928 1.00 0.00 H new ATOM 0 HE1 MET A 29 70.159 14.836 8.115 1.00 0.00 H new ATOM 0 HE2 MET A 29 68.809 14.553 6.991 1.00 0.00 H new ATOM 0 HE3 MET A 29 69.590 13.178 7.807 1.00 0.00 H new ATOM 496 N LYS A 30 72.363 11.524 3.880 1.00 0.00 N ATOM 497 CA LYS A 30 73.697 11.269 4.485 1.00 0.00 C ATOM 498 C LYS A 30 74.592 10.595 3.444 1.00 0.00 C ATOM 499 O LYS A 30 75.803 10.606 3.545 1.00 0.00 O ATOM 500 CB LYS A 30 73.431 10.323 5.657 1.00 0.00 C ATOM 501 CG LYS A 30 72.794 11.098 6.811 1.00 0.00 C ATOM 502 CD LYS A 30 71.970 10.140 7.677 1.00 0.00 C ATOM 503 CE LYS A 30 72.802 9.695 8.882 1.00 0.00 C ATOM 504 NZ LYS A 30 71.916 9.901 10.062 1.00 0.00 N ATOM 0 H LYS A 30 71.677 10.783 4.024 1.00 0.00 H new ATOM 0 HA LYS A 30 74.196 12.180 4.815 1.00 0.00 H new ATOM 0 HB2 LYS A 30 72.772 9.514 5.342 1.00 0.00 H new ATOM 0 HB3 LYS A 30 74.364 9.864 5.985 1.00 0.00 H new ATOM 0 HG2 LYS A 30 73.567 11.575 7.413 1.00 0.00 H new ATOM 0 HG3 LYS A 30 72.157 11.892 6.422 1.00 0.00 H new ATOM 0 HD2 LYS A 30 71.057 10.632 8.014 1.00 0.00 H new ATOM 0 HD3 LYS A 30 71.667 9.272 7.091 1.00 0.00 H new ATOM 0 HE2 LYS A 30 73.101 8.651 8.791 1.00 0.00 H new ATOM 0 HE3 LYS A 30 73.716 10.282 8.968 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 72.419 9.617 10.927 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 71.653 10.905 10.128 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 71.057 9.325 9.956 1.00 0.00 H new ATOM 518 N TYR A 31 73.995 10.009 2.436 1.00 0.00 N ATOM 519 CA TYR A 31 74.803 9.334 1.377 1.00 0.00 C ATOM 520 C TYR A 31 74.781 10.147 0.092 1.00 0.00 C ATOM 521 O TYR A 31 75.291 9.739 -0.931 1.00 0.00 O ATOM 522 CB TYR A 31 74.142 7.981 1.164 1.00 0.00 C ATOM 523 CG TYR A 31 74.792 6.971 2.071 1.00 0.00 C ATOM 524 CD1 TYR A 31 76.186 6.905 2.152 1.00 0.00 C ATOM 525 CD2 TYR A 31 74.004 6.109 2.839 1.00 0.00 C ATOM 526 CE1 TYR A 31 76.795 5.975 2.999 1.00 0.00 C ATOM 527 CE2 TYR A 31 74.610 5.178 3.687 1.00 0.00 C ATOM 528 CZ TYR A 31 76.006 5.109 3.768 1.00 0.00 C ATOM 529 OH TYR A 31 76.605 4.190 4.605 1.00 0.00 O ATOM 0 H TYR A 31 72.985 9.969 2.302 1.00 0.00 H new ATOM 0 HA TYR A 31 75.848 9.232 1.668 1.00 0.00 H new ATOM 0 HB2 TYR A 31 73.075 8.046 1.376 1.00 0.00 H new ATOM 0 HB3 TYR A 31 74.242 7.672 0.123 1.00 0.00 H new ATOM 0 HD1 TYR A 31 76.793 7.573 1.559 1.00 0.00 H new ATOM 0 HD2 TYR A 31 72.927 6.162 2.777 1.00 0.00 H new ATOM 0 HE1 TYR A 31 77.872 5.924 3.061 1.00 0.00 H new ATOM 0 HE2 TYR A 31 74.001 4.512 4.280 1.00 0.00 H new ATOM 0 HH TYR A 31 75.915 3.669 5.066 1.00 0.00 H new ATOM 539 N HIS A 32 74.210 11.299 0.167 1.00 0.00 N ATOM 540 CA HIS A 32 74.147 12.216 -0.993 1.00 0.00 C ATOM 541 C HIS A 32 75.566 12.499 -1.512 1.00 0.00 C ATOM 542 O HIS A 32 76.416 11.640 -1.401 1.00 0.00 O ATOM 543 CB HIS A 32 73.449 13.411 -0.364 1.00 0.00 C ATOM 544 CG HIS A 32 74.377 14.082 0.622 1.00 0.00 C ATOM 545 ND1 HIS A 32 75.328 13.385 1.368 1.00 0.00 N ATOM 546 CD2 HIS A 32 74.495 15.390 1.006 1.00 0.00 C ATOM 547 CE1 HIS A 32 75.960 14.279 2.148 1.00 0.00 C ATOM 548 NE2 HIS A 32 75.492 15.515 1.968 1.00 0.00 N ATOM 0 H HIS A 32 73.767 11.660 1.012 1.00 0.00 H new ATOM 0 HA HIS A 32 73.625 11.855 -1.879 1.00 0.00 H new ATOM 0 HB2 HIS A 32 73.151 14.119 -1.137 1.00 0.00 H new ATOM 0 HB3 HIS A 32 72.538 13.088 0.141 1.00 0.00 H new ATOM 0 HD2 HIS A 32 73.902 16.205 0.619 1.00 0.00 H new ATOM 0 HE1 HIS A 32 76.752 14.027 2.838 1.00 0.00 H new ATOM 0 HE2 HIS A 32 75.799 16.368 2.435 1.00 0.00 H new ATOM 556 N PRO A 33 75.818 13.651 -2.088 1.00 0.00 N ATOM 557 CA PRO A 33 77.179 13.905 -2.616 1.00 0.00 C ATOM 558 C PRO A 33 78.207 14.007 -1.485 1.00 0.00 C ATOM 559 O PRO A 33 79.006 14.922 -1.426 1.00 0.00 O ATOM 560 CB PRO A 33 77.035 15.204 -3.400 1.00 0.00 C ATOM 561 CG PRO A 33 75.842 15.875 -2.813 1.00 0.00 C ATOM 562 CD PRO A 33 74.929 14.802 -2.304 1.00 0.00 C ATOM 0 HA PRO A 33 77.549 13.095 -3.245 1.00 0.00 H new ATOM 0 HB2 PRO A 33 77.925 15.825 -3.303 1.00 0.00 H new ATOM 0 HB3 PRO A 33 76.896 15.010 -4.464 1.00 0.00 H new ATOM 0 HG2 PRO A 33 76.137 16.543 -2.004 1.00 0.00 H new ATOM 0 HG3 PRO A 33 75.337 16.485 -3.562 1.00 0.00 H new ATOM 0 HD2 PRO A 33 74.435 15.103 -1.380 1.00 0.00 H new ATOM 0 HD3 PRO A 33 74.144 14.571 -3.024 1.00 0.00 H new ATOM 570 N ASP A 34 78.214 13.033 -0.613 1.00 0.00 N ATOM 571 CA ASP A 34 79.204 13.002 0.496 1.00 0.00 C ATOM 572 C ASP A 34 80.247 11.948 0.127 1.00 0.00 C ATOM 573 O ASP A 34 81.437 12.126 0.296 1.00 0.00 O ATOM 574 CB ASP A 34 78.390 12.595 1.747 1.00 0.00 C ATOM 575 CG ASP A 34 78.926 11.296 2.364 1.00 0.00 C ATOM 576 OD1 ASP A 34 80.062 11.300 2.812 1.00 0.00 O ATOM 577 OD2 ASP A 34 78.191 10.322 2.377 1.00 0.00 O ATOM 0 H ASP A 34 77.564 12.247 -0.626 1.00 0.00 H new ATOM 0 HA ASP A 34 79.720 13.945 0.677 1.00 0.00 H new ATOM 0 HB2 ASP A 34 78.431 13.395 2.486 1.00 0.00 H new ATOM 0 HB3 ASP A 34 77.342 12.466 1.475 1.00 0.00 H new ATOM 582 N ARG A 35 79.773 10.850 -0.389 1.00 0.00 N ATOM 583 CA ARG A 35 80.669 9.745 -0.801 1.00 0.00 C ATOM 584 C ARG A 35 80.148 9.121 -2.103 1.00 0.00 C ATOM 585 O ARG A 35 80.902 8.564 -2.878 1.00 0.00 O ATOM 586 CB ARG A 35 80.584 8.740 0.344 1.00 0.00 C ATOM 587 CG ARG A 35 79.123 8.324 0.535 1.00 0.00 C ATOM 588 CD ARG A 35 78.748 7.289 -0.522 1.00 0.00 C ATOM 589 NE ARG A 35 78.352 6.072 0.243 1.00 0.00 N ATOM 590 CZ ARG A 35 79.262 5.232 0.656 1.00 0.00 C ATOM 591 NH1 ARG A 35 80.299 5.663 1.322 1.00 0.00 N ATOM 592 NH2 ARG A 35 79.135 3.957 0.406 1.00 0.00 N ATOM 0 H ARG A 35 78.781 10.672 -0.544 1.00 0.00 H new ATOM 0 HA ARG A 35 81.692 10.072 -0.986 1.00 0.00 H new ATOM 0 HB2 ARG A 35 81.198 7.867 0.125 1.00 0.00 H new ATOM 0 HB3 ARG A 35 80.973 9.181 1.262 1.00 0.00 H new ATOM 0 HG2 ARG A 35 78.979 7.910 1.533 1.00 0.00 H new ATOM 0 HG3 ARG A 35 78.472 9.195 0.454 1.00 0.00 H new ATOM 0 HD2 ARG A 35 77.929 7.644 -1.147 1.00 0.00 H new ATOM 0 HD3 ARG A 35 79.588 7.081 -1.185 1.00 0.00 H new ATOM 0 HE ARG A 35 77.368 5.895 0.444 1.00 0.00 H new ATOM 0 HH11 ARG A 35 80.400 6.658 1.521 1.00 0.00 H new ATOM 0 HH12 ARG A 35 81.008 5.004 1.643 1.00 0.00 H new ATOM 0 HH21 ARG A 35 78.325 3.617 -0.112 1.00 0.00 H new ATOM 0 HH22 ARG A 35 79.846 3.301 0.729 1.00 0.00 H new ATOM 606 N ASN A 36 78.859 9.198 -2.346 1.00 0.00 N ATOM 607 CA ASN A 36 78.295 8.599 -3.584 1.00 0.00 C ATOM 608 C ASN A 36 79.126 9.020 -4.795 1.00 0.00 C ATOM 609 O ASN A 36 79.181 8.328 -5.792 1.00 0.00 O ATOM 610 CB ASN A 36 76.878 9.163 -3.672 1.00 0.00 C ATOM 611 CG ASN A 36 75.908 8.224 -2.953 1.00 0.00 C ATOM 612 OD1 ASN A 36 76.311 7.218 -2.404 1.00 0.00 O ATOM 613 ND2 ASN A 36 74.636 8.514 -2.931 1.00 0.00 N ATOM 0 H ASN A 36 78.179 9.651 -1.736 1.00 0.00 H new ATOM 0 HA ASN A 36 78.299 7.509 -3.566 1.00 0.00 H new ATOM 0 HB2 ASN A 36 76.842 10.155 -3.221 1.00 0.00 H new ATOM 0 HB3 ASN A 36 76.585 9.276 -4.716 1.00 0.00 H new ATOM 0 HD21 ASN A 36 73.980 7.896 -2.453 1.00 0.00 H new ATOM 0 HD22 ASN A 36 74.297 9.359 -3.392 1.00 0.00 H new ATOM 620 N GLN A 37 79.783 10.143 -4.713 1.00 0.00 N ATOM 621 CA GLN A 37 80.616 10.594 -5.859 1.00 0.00 C ATOM 622 C GLN A 37 81.852 9.703 -5.978 1.00 0.00 C ATOM 623 O GLN A 37 82.616 9.805 -6.916 1.00 0.00 O ATOM 624 CB GLN A 37 81.016 12.034 -5.527 1.00 0.00 C ATOM 625 CG GLN A 37 79.791 12.813 -5.049 1.00 0.00 C ATOM 626 CD GLN A 37 79.503 13.960 -6.020 1.00 0.00 C ATOM 627 OE1 GLN A 37 80.292 14.875 -6.147 1.00 0.00 O ATOM 628 NE2 GLN A 37 78.400 13.948 -6.715 1.00 0.00 N ATOM 0 H GLN A 37 79.779 10.765 -3.905 1.00 0.00 H new ATOM 0 HA GLN A 37 80.084 10.537 -6.809 1.00 0.00 H new ATOM 0 HB2 GLN A 37 81.786 12.039 -4.755 1.00 0.00 H new ATOM 0 HB3 GLN A 37 81.444 12.515 -6.407 1.00 0.00 H new ATOM 0 HG2 GLN A 37 78.928 12.151 -4.986 1.00 0.00 H new ATOM 0 HG3 GLN A 37 79.965 13.206 -4.047 1.00 0.00 H new ATOM 0 HE21 GLN A 37 77.738 13.179 -6.608 1.00 0.00 H new ATOM 0 HE22 GLN A 37 78.199 14.707 -7.366 1.00 0.00 H new ATOM 637 N GLY A 38 82.051 8.826 -5.033 1.00 0.00 N ATOM 638 CA GLY A 38 83.231 7.923 -5.091 1.00 0.00 C ATOM 639 C GLY A 38 82.790 6.507 -4.729 1.00 0.00 C ATOM 640 O GLY A 38 83.570 5.700 -4.265 1.00 0.00 O ATOM 0 H GLY A 38 81.445 8.697 -4.222 1.00 0.00 H new ATOM 0 HA2 GLY A 38 83.668 7.938 -6.089 1.00 0.00 H new ATOM 0 HA3 GLY A 38 84.002 8.266 -4.401 1.00 0.00 H new ATOM 644 N ASP A 39 81.538 6.200 -4.935 1.00 0.00 N ATOM 645 CA ASP A 39 81.043 4.833 -4.595 1.00 0.00 C ATOM 646 C ASP A 39 80.155 4.288 -5.717 1.00 0.00 C ATOM 647 O ASP A 39 79.101 4.819 -6.004 1.00 0.00 O ATOM 648 CB ASP A 39 80.236 5.013 -3.309 1.00 0.00 C ATOM 649 CG ASP A 39 81.191 5.070 -2.114 1.00 0.00 C ATOM 650 OD1 ASP A 39 82.145 5.827 -2.178 1.00 0.00 O ATOM 651 OD2 ASP A 39 80.950 4.355 -1.155 1.00 0.00 O ATOM 0 H ASP A 39 80.838 6.833 -5.322 1.00 0.00 H new ATOM 0 HA ASP A 39 81.859 4.121 -4.470 1.00 0.00 H new ATOM 0 HB2 ASP A 39 79.646 5.928 -3.362 1.00 0.00 H new ATOM 0 HB3 ASP A 39 79.534 4.188 -3.189 1.00 0.00 H new ATOM 656 N LYS A 40 80.567 3.217 -6.338 1.00 0.00 N ATOM 657 CA LYS A 40 79.748 2.615 -7.424 1.00 0.00 C ATOM 658 C LYS A 40 78.794 1.600 -6.803 1.00 0.00 C ATOM 659 O LYS A 40 78.176 1.895 -5.811 1.00 0.00 O ATOM 660 CB LYS A 40 80.761 1.951 -8.359 1.00 0.00 C ATOM 661 CG LYS A 40 80.205 1.934 -9.785 1.00 0.00 C ATOM 662 CD LYS A 40 80.789 3.108 -10.574 1.00 0.00 C ATOM 663 CE LYS A 40 80.291 4.425 -9.976 1.00 0.00 C ATOM 664 NZ LYS A 40 80.315 5.395 -11.105 1.00 0.00 N ATOM 0 H LYS A 40 81.441 2.731 -6.137 1.00 0.00 H new ATOM 0 HA LYS A 40 79.139 3.336 -7.970 1.00 0.00 H new ATOM 0 HB2 LYS A 40 81.706 2.493 -8.332 1.00 0.00 H new ATOM 0 HB3 LYS A 40 80.967 0.934 -8.026 1.00 0.00 H new ATOM 0 HG2 LYS A 40 80.456 0.993 -10.274 1.00 0.00 H new ATOM 0 HG3 LYS A 40 79.117 2.002 -9.764 1.00 0.00 H new ATOM 0 HD2 LYS A 40 81.878 3.073 -10.546 1.00 0.00 H new ATOM 0 HD3 LYS A 40 80.495 3.038 -11.621 1.00 0.00 H new ATOM 0 HE2 LYS A 40 79.286 4.318 -9.569 1.00 0.00 H new ATOM 0 HE3 LYS A 40 80.932 4.755 -9.159 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 79.986 6.324 -10.772 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 81.286 5.481 -11.468 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 79.690 5.059 -11.865 1.00 0.00 H new ATOM 678 N GLU A 41 78.715 0.414 -7.369 1.00 0.00 N ATOM 679 CA GLU A 41 77.848 -0.694 -6.824 1.00 0.00 C ATOM 680 C GLU A 41 76.981 -0.256 -5.638 1.00 0.00 C ATOM 681 O GLU A 41 75.768 -0.241 -5.720 1.00 0.00 O ATOM 682 CB GLU A 41 78.845 -1.769 -6.364 1.00 0.00 C ATOM 683 CG GLU A 41 80.205 -1.128 -6.053 1.00 0.00 C ATOM 684 CD GLU A 41 81.186 -2.205 -5.587 1.00 0.00 C ATOM 685 OE1 GLU A 41 80.858 -3.373 -5.716 1.00 0.00 O ATOM 686 OE2 GLU A 41 82.248 -1.844 -5.106 1.00 0.00 O ATOM 0 H GLU A 41 79.230 0.159 -8.211 1.00 0.00 H new ATOM 0 HA GLU A 41 77.146 -1.036 -7.584 1.00 0.00 H new ATOM 0 HB2 GLU A 41 78.462 -2.276 -5.478 1.00 0.00 H new ATOM 0 HB3 GLU A 41 78.960 -2.526 -7.140 1.00 0.00 H new ATOM 0 HG2 GLU A 41 80.594 -0.627 -6.940 1.00 0.00 H new ATOM 0 HG3 GLU A 41 80.091 -0.367 -5.281 1.00 0.00 H new ATOM 693 N ALA A 42 77.588 0.116 -4.540 1.00 0.00 N ATOM 694 CA ALA A 42 76.785 0.565 -3.368 1.00 0.00 C ATOM 695 C ALA A 42 75.732 1.572 -3.831 1.00 0.00 C ATOM 696 O ALA A 42 74.722 1.775 -3.186 1.00 0.00 O ATOM 697 CB ALA A 42 77.793 1.225 -2.428 1.00 0.00 C ATOM 0 H ALA A 42 78.599 0.128 -4.407 1.00 0.00 H new ATOM 0 HA ALA A 42 76.257 -0.252 -2.877 1.00 0.00 H new ATOM 0 HB1 ALA A 42 77.278 1.584 -1.537 1.00 0.00 H new ATOM 0 HB2 ALA A 42 78.553 0.498 -2.140 1.00 0.00 H new ATOM 0 HB3 ALA A 42 78.268 2.065 -2.935 1.00 0.00 H new ATOM 703 N GLU A 43 75.961 2.201 -4.953 1.00 0.00 N ATOM 704 CA GLU A 43 74.973 3.190 -5.470 1.00 0.00 C ATOM 705 C GLU A 43 73.578 2.599 -5.483 1.00 0.00 C ATOM 706 O GLU A 43 72.621 3.200 -5.042 1.00 0.00 O ATOM 707 CB GLU A 43 75.366 3.438 -6.919 1.00 0.00 C ATOM 708 CG GLU A 43 74.491 4.554 -7.492 1.00 0.00 C ATOM 709 CD GLU A 43 75.372 5.732 -7.911 1.00 0.00 C ATOM 710 OE1 GLU A 43 75.866 6.419 -7.031 1.00 0.00 O ATOM 711 OE2 GLU A 43 75.539 5.927 -9.104 1.00 0.00 O ATOM 0 H GLU A 43 76.790 2.072 -5.533 1.00 0.00 H new ATOM 0 HA GLU A 43 74.973 4.087 -4.851 1.00 0.00 H new ATOM 0 HB2 GLU A 43 76.418 3.716 -6.981 1.00 0.00 H new ATOM 0 HB3 GLU A 43 75.243 2.526 -7.503 1.00 0.00 H new ATOM 0 HG2 GLU A 43 73.928 4.185 -8.349 1.00 0.00 H new ATOM 0 HG3 GLU A 43 73.763 4.878 -6.748 1.00 0.00 H new ATOM 718 N ALA A 44 73.457 1.441 -6.049 1.00 0.00 N ATOM 719 CA ALA A 44 72.128 0.820 -6.171 1.00 0.00 C ATOM 720 C ALA A 44 71.416 0.768 -4.826 1.00 0.00 C ATOM 721 O ALA A 44 70.299 1.224 -4.695 1.00 0.00 O ATOM 722 CB ALA A 44 72.381 -0.586 -6.713 1.00 0.00 C ATOM 0 H ALA A 44 74.229 0.897 -6.434 1.00 0.00 H new ATOM 0 HA ALA A 44 71.479 1.395 -6.831 1.00 0.00 H new ATOM 0 HB1 ALA A 44 71.431 -1.108 -6.829 1.00 0.00 H new ATOM 0 HB2 ALA A 44 72.879 -0.519 -7.680 1.00 0.00 H new ATOM 0 HB3 ALA A 44 73.014 -1.136 -6.017 1.00 0.00 H new ATOM 728 N LYS A 45 72.039 0.217 -3.825 1.00 0.00 N ATOM 729 CA LYS A 45 71.359 0.153 -2.505 1.00 0.00 C ATOM 730 C LYS A 45 70.724 1.507 -2.195 1.00 0.00 C ATOM 731 O LYS A 45 69.761 1.593 -1.466 1.00 0.00 O ATOM 732 CB LYS A 45 72.445 -0.168 -1.481 1.00 0.00 C ATOM 733 CG LYS A 45 71.888 0.090 -0.078 1.00 0.00 C ATOM 734 CD LYS A 45 72.875 -0.421 0.974 1.00 0.00 C ATOM 735 CE LYS A 45 72.331 -1.707 1.600 1.00 0.00 C ATOM 736 NZ LYS A 45 72.956 -1.771 2.950 1.00 0.00 N ATOM 0 H LYS A 45 72.975 -0.186 -3.861 1.00 0.00 H new ATOM 0 HA LYS A 45 70.571 -0.600 -2.490 1.00 0.00 H new ATOM 0 HB2 LYS A 45 72.760 -1.207 -1.577 1.00 0.00 H new ATOM 0 HB3 LYS A 45 73.325 0.450 -1.658 1.00 0.00 H new ATOM 0 HG2 LYS A 45 71.712 1.156 0.063 1.00 0.00 H new ATOM 0 HG3 LYS A 45 70.926 -0.410 0.039 1.00 0.00 H new ATOM 0 HD2 LYS A 45 73.846 -0.609 0.516 1.00 0.00 H new ATOM 0 HD3 LYS A 45 73.027 0.335 1.744 1.00 0.00 H new ATOM 0 HE2 LYS A 45 71.243 -1.683 1.669 1.00 0.00 H new ATOM 0 HE3 LYS A 45 72.593 -2.579 1.001 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 72.631 -2.627 3.443 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 73.991 -1.799 2.852 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 72.683 -0.931 3.499 1.00 0.00 H new ATOM 750 N PHE A 46 71.256 2.565 -2.749 1.00 0.00 N ATOM 751 CA PHE A 46 70.674 3.912 -2.480 1.00 0.00 C ATOM 752 C PHE A 46 69.357 4.076 -3.234 1.00 0.00 C ATOM 753 O PHE A 46 68.350 4.440 -2.660 1.00 0.00 O ATOM 754 CB PHE A 46 71.715 4.915 -2.979 1.00 0.00 C ATOM 755 CG PHE A 46 73.051 4.619 -2.336 1.00 0.00 C ATOM 756 CD1 PHE A 46 73.111 3.903 -1.134 1.00 0.00 C ATOM 757 CD2 PHE A 46 74.231 5.061 -2.945 1.00 0.00 C ATOM 758 CE1 PHE A 46 74.349 3.629 -0.541 1.00 0.00 C ATOM 759 CE2 PHE A 46 75.470 4.787 -2.352 1.00 0.00 C ATOM 760 CZ PHE A 46 75.529 4.071 -1.150 1.00 0.00 C ATOM 0 H PHE A 46 72.063 2.555 -3.372 1.00 0.00 H new ATOM 0 HA PHE A 46 70.454 4.060 -1.423 1.00 0.00 H new ATOM 0 HB2 PHE A 46 71.801 4.856 -4.064 1.00 0.00 H new ATOM 0 HB3 PHE A 46 71.401 5.931 -2.739 1.00 0.00 H new ATOM 0 HD1 PHE A 46 72.201 3.562 -0.664 1.00 0.00 H new ATOM 0 HD2 PHE A 46 74.186 5.613 -3.872 1.00 0.00 H new ATOM 0 HE1 PHE A 46 74.394 3.077 0.386 1.00 0.00 H new ATOM 0 HE2 PHE A 46 76.380 5.128 -2.822 1.00 0.00 H new ATOM 0 HZ PHE A 46 76.485 3.860 -0.693 1.00 0.00 H new ATOM 770 N LYS A 47 69.338 3.797 -4.509 1.00 0.00 N ATOM 771 CA LYS A 47 68.058 3.933 -5.257 1.00 0.00 C ATOM 772 C LYS A 47 67.275 2.621 -5.143 1.00 0.00 C ATOM 773 O LYS A 47 66.113 2.541 -5.488 1.00 0.00 O ATOM 774 CB LYS A 47 68.463 4.260 -6.706 1.00 0.00 C ATOM 775 CG LYS A 47 68.288 3.039 -7.615 1.00 0.00 C ATOM 776 CD LYS A 47 69.218 1.921 -7.153 1.00 0.00 C ATOM 777 CE LYS A 47 69.833 1.240 -8.380 1.00 0.00 C ATOM 778 NZ LYS A 47 70.915 2.159 -8.844 1.00 0.00 N ATOM 0 H LYS A 47 70.140 3.486 -5.057 1.00 0.00 H new ATOM 0 HA LYS A 47 67.407 4.716 -4.869 1.00 0.00 H new ATOM 0 HB2 LYS A 47 67.857 5.085 -7.079 1.00 0.00 H new ATOM 0 HB3 LYS A 47 69.501 4.591 -6.731 1.00 0.00 H new ATOM 0 HG2 LYS A 47 67.253 2.699 -7.589 1.00 0.00 H new ATOM 0 HG3 LYS A 47 68.510 3.307 -8.648 1.00 0.00 H new ATOM 0 HD2 LYS A 47 70.003 2.325 -6.514 1.00 0.00 H new ATOM 0 HD3 LYS A 47 68.665 1.194 -6.557 1.00 0.00 H new ATOM 0 HE2 LYS A 47 70.234 0.259 -8.125 1.00 0.00 H new ATOM 0 HE3 LYS A 47 69.087 1.087 -9.160 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 70.744 2.424 -9.835 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 70.921 3.015 -8.253 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 71.834 1.679 -8.768 1.00 0.00 H new ATOM 792 N GLU A 48 67.907 1.603 -4.626 1.00 0.00 N ATOM 793 CA GLU A 48 67.215 0.304 -4.443 1.00 0.00 C ATOM 794 C GLU A 48 66.156 0.517 -3.386 1.00 0.00 C ATOM 795 O GLU A 48 65.073 -0.030 -3.422 1.00 0.00 O ATOM 796 CB GLU A 48 68.296 -0.644 -3.926 1.00 0.00 C ATOM 797 CG GLU A 48 69.060 -1.244 -5.104 1.00 0.00 C ATOM 798 CD GLU A 48 68.494 -2.625 -5.439 1.00 0.00 C ATOM 799 OE1 GLU A 48 67.478 -2.983 -4.866 1.00 0.00 O ATOM 800 OE2 GLU A 48 69.087 -3.303 -6.263 1.00 0.00 O ATOM 0 H GLU A 48 68.880 1.620 -4.322 1.00 0.00 H new ATOM 0 HA GLU A 48 66.747 -0.088 -5.346 1.00 0.00 H new ATOM 0 HB2 GLU A 48 68.982 -0.107 -3.271 1.00 0.00 H new ATOM 0 HB3 GLU A 48 67.843 -1.438 -3.331 1.00 0.00 H new ATOM 0 HG2 GLU A 48 68.982 -0.589 -5.972 1.00 0.00 H new ATOM 0 HG3 GLU A 48 70.119 -1.324 -4.859 1.00 0.00 H new ATOM 807 N ILE A 49 66.486 1.354 -2.456 1.00 0.00 N ATOM 808 CA ILE A 49 65.539 1.692 -1.364 1.00 0.00 C ATOM 809 C ILE A 49 64.270 2.257 -1.974 1.00 0.00 C ATOM 810 O ILE A 49 63.169 1.836 -1.683 1.00 0.00 O ATOM 811 CB ILE A 49 66.252 2.781 -0.580 1.00 0.00 C ATOM 812 CG1 ILE A 49 67.425 2.166 0.174 1.00 0.00 C ATOM 813 CG2 ILE A 49 65.284 3.435 0.402 1.00 0.00 C ATOM 814 CD1 ILE A 49 68.610 3.134 0.168 1.00 0.00 C ATOM 0 H ILE A 49 67.387 1.829 -2.402 1.00 0.00 H new ATOM 0 HA ILE A 49 65.270 0.836 -0.746 1.00 0.00 H new ATOM 0 HB ILE A 49 66.620 3.544 -1.266 1.00 0.00 H new ATOM 0 HG12 ILE A 49 67.132 1.941 1.200 1.00 0.00 H new ATOM 0 HG13 ILE A 49 67.712 1.222 -0.289 1.00 0.00 H new ATOM 0 HG21 ILE A 49 65.803 4.214 0.960 1.00 0.00 H new ATOM 0 HG22 ILE A 49 64.451 3.875 -0.147 1.00 0.00 H new ATOM 0 HG23 ILE A 49 64.906 2.684 1.095 1.00 0.00 H new ATOM 0 HD11 ILE A 49 69.446 2.689 0.708 1.00 0.00 H new ATOM 0 HD12 ILE A 49 68.909 3.336 -0.860 1.00 0.00 H new ATOM 0 HD13 ILE A 49 68.320 4.067 0.652 1.00 0.00 H new ATOM 826 N LYS A 50 64.437 3.216 -2.834 1.00 0.00 N ATOM 827 CA LYS A 50 63.257 3.836 -3.496 1.00 0.00 C ATOM 828 C LYS A 50 62.360 2.734 -4.067 1.00 0.00 C ATOM 829 O LYS A 50 61.153 2.764 -3.928 1.00 0.00 O ATOM 830 CB LYS A 50 63.832 4.699 -4.621 1.00 0.00 C ATOM 831 CG LYS A 50 62.721 5.045 -5.617 1.00 0.00 C ATOM 832 CD LYS A 50 61.498 5.562 -4.857 1.00 0.00 C ATOM 833 CE LYS A 50 60.793 6.638 -5.689 1.00 0.00 C ATOM 834 NZ LYS A 50 60.298 5.930 -6.904 1.00 0.00 N ATOM 0 H LYS A 50 65.341 3.600 -3.109 1.00 0.00 H new ATOM 0 HA LYS A 50 62.653 4.429 -2.809 1.00 0.00 H new ATOM 0 HB2 LYS A 50 64.264 5.611 -4.210 1.00 0.00 H new ATOM 0 HB3 LYS A 50 64.637 4.166 -5.128 1.00 0.00 H new ATOM 0 HG2 LYS A 50 63.071 5.800 -6.321 1.00 0.00 H new ATOM 0 HG3 LYS A 50 62.454 4.164 -6.201 1.00 0.00 H new ATOM 0 HD2 LYS A 50 60.812 4.741 -4.650 1.00 0.00 H new ATOM 0 HD3 LYS A 50 61.802 5.973 -3.895 1.00 0.00 H new ATOM 0 HE2 LYS A 50 59.971 7.089 -5.134 1.00 0.00 H new ATOM 0 HE3 LYS A 50 61.478 7.443 -5.954 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 59.586 6.518 -7.382 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 61.093 5.754 -7.551 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 59.870 5.024 -6.627 1.00 0.00 H new ATOM 848 N GLU A 51 62.951 1.756 -4.700 1.00 0.00 N ATOM 849 CA GLU A 51 62.148 0.639 -5.275 1.00 0.00 C ATOM 850 C GLU A 51 61.194 0.083 -4.217 1.00 0.00 C ATOM 851 O GLU A 51 60.061 -0.252 -4.500 1.00 0.00 O ATOM 852 CB GLU A 51 63.181 -0.411 -5.675 1.00 0.00 C ATOM 853 CG GLU A 51 62.625 -1.280 -6.804 1.00 0.00 C ATOM 854 CD GLU A 51 62.598 -0.473 -8.104 1.00 0.00 C ATOM 855 OE1 GLU A 51 62.744 0.735 -8.032 1.00 0.00 O ATOM 856 OE2 GLU A 51 62.435 -1.080 -9.150 1.00 0.00 O ATOM 0 H GLU A 51 63.958 1.683 -4.844 1.00 0.00 H new ATOM 0 HA GLU A 51 61.535 0.952 -6.120 1.00 0.00 H new ATOM 0 HB2 GLU A 51 64.102 0.075 -5.998 1.00 0.00 H new ATOM 0 HB3 GLU A 51 63.433 -1.032 -4.816 1.00 0.00 H new ATOM 0 HG2 GLU A 51 63.241 -2.170 -6.929 1.00 0.00 H new ATOM 0 HG3 GLU A 51 61.620 -1.620 -6.554 1.00 0.00 H new ATOM 863 N ALA A 52 61.640 0.006 -2.991 1.00 0.00 N ATOM 864 CA ALA A 52 60.760 -0.502 -1.898 1.00 0.00 C ATOM 865 C ALA A 52 59.369 0.113 -2.031 1.00 0.00 C ATOM 866 O ALA A 52 58.388 -0.430 -1.562 1.00 0.00 O ATOM 867 CB ALA A 52 61.436 -0.027 -0.617 1.00 0.00 C ATOM 0 H ALA A 52 62.580 0.274 -2.699 1.00 0.00 H new ATOM 0 HA ALA A 52 60.635 -1.585 -1.919 1.00 0.00 H new ATOM 0 HB1 ALA A 52 60.855 -0.357 0.245 1.00 0.00 H new ATOM 0 HB2 ALA A 52 62.441 -0.446 -0.559 1.00 0.00 H new ATOM 0 HB3 ALA A 52 61.496 1.061 -0.619 1.00 0.00 H new ATOM 873 N TYR A 53 59.282 1.250 -2.659 1.00 0.00 N ATOM 874 CA TYR A 53 57.969 1.921 -2.820 1.00 0.00 C ATOM 875 C TYR A 53 57.025 1.031 -3.625 1.00 0.00 C ATOM 876 O TYR A 53 55.914 0.754 -3.226 1.00 0.00 O ATOM 877 CB TYR A 53 58.257 3.188 -3.627 1.00 0.00 C ATOM 878 CG TYR A 53 59.115 4.167 -2.855 1.00 0.00 C ATOM 879 CD1 TYR A 53 59.924 3.751 -1.787 1.00 0.00 C ATOM 880 CD2 TYR A 53 59.111 5.511 -3.242 1.00 0.00 C ATOM 881 CE1 TYR A 53 60.720 4.678 -1.114 1.00 0.00 C ATOM 882 CE2 TYR A 53 59.904 6.438 -2.564 1.00 0.00 C ATOM 883 CZ TYR A 53 60.711 6.023 -1.499 1.00 0.00 C ATOM 884 OH TYR A 53 61.500 6.938 -0.832 1.00 0.00 O ATOM 0 H TYR A 53 60.073 1.746 -3.071 1.00 0.00 H new ATOM 0 HA TYR A 53 57.505 2.132 -1.856 1.00 0.00 H new ATOM 0 HB2 TYR A 53 58.759 2.920 -4.557 1.00 0.00 H new ATOM 0 HB3 TYR A 53 57.316 3.666 -3.899 1.00 0.00 H new ATOM 0 HD1 TYR A 53 59.931 2.714 -1.486 1.00 0.00 H new ATOM 0 HD2 TYR A 53 58.493 5.832 -4.067 1.00 0.00 H new ATOM 0 HE1 TYR A 53 61.345 4.357 -0.294 1.00 0.00 H new ATOM 0 HE2 TYR A 53 59.895 7.476 -2.862 1.00 0.00 H new ATOM 0 HH TYR A 53 61.414 6.801 0.135 1.00 0.00 H new ATOM 894 N GLU A 54 57.473 0.577 -4.762 1.00 0.00 N ATOM 895 CA GLU A 54 56.610 -0.292 -5.615 1.00 0.00 C ATOM 896 C GLU A 54 55.942 -1.312 -4.729 1.00 0.00 C ATOM 897 O GLU A 54 54.870 -1.804 -5.012 1.00 0.00 O ATOM 898 CB GLU A 54 57.541 -0.997 -6.603 1.00 0.00 C ATOM 899 CG GLU A 54 58.563 -0.007 -7.145 1.00 0.00 C ATOM 900 CD GLU A 54 58.672 -0.156 -8.664 1.00 0.00 C ATOM 901 OE1 GLU A 54 58.787 -1.281 -9.123 1.00 0.00 O ATOM 902 OE2 GLU A 54 58.638 0.857 -9.342 1.00 0.00 O ATOM 0 H GLU A 54 58.401 0.770 -5.139 1.00 0.00 H new ATOM 0 HA GLU A 54 55.846 0.279 -6.143 1.00 0.00 H new ATOM 0 HB2 GLU A 54 58.050 -1.825 -6.110 1.00 0.00 H new ATOM 0 HB3 GLU A 54 56.962 -1.421 -7.423 1.00 0.00 H new ATOM 0 HG2 GLU A 54 58.268 1.011 -6.890 1.00 0.00 H new ATOM 0 HG3 GLU A 54 59.534 -0.183 -6.682 1.00 0.00 H new ATOM 909 N VAL A 55 56.587 -1.634 -3.654 1.00 0.00 N ATOM 910 CA VAL A 55 56.024 -2.628 -2.734 1.00 0.00 C ATOM 911 C VAL A 55 55.182 -1.938 -1.649 1.00 0.00 C ATOM 912 O VAL A 55 54.028 -2.242 -1.447 1.00 0.00 O ATOM 913 CB VAL A 55 57.260 -3.333 -2.145 1.00 0.00 C ATOM 914 CG1 VAL A 55 57.306 -3.192 -0.629 1.00 0.00 C ATOM 915 CG2 VAL A 55 57.212 -4.812 -2.485 1.00 0.00 C ATOM 0 H VAL A 55 57.488 -1.245 -3.376 1.00 0.00 H new ATOM 0 HA VAL A 55 55.350 -3.333 -3.220 1.00 0.00 H new ATOM 0 HB VAL A 55 58.147 -2.866 -2.574 1.00 0.00 H new ATOM 0 HG11 VAL A 55 58.190 -3.700 -0.243 1.00 0.00 H new ATOM 0 HG12 VAL A 55 57.349 -2.136 -0.363 1.00 0.00 H new ATOM 0 HG13 VAL A 55 56.412 -3.639 -0.195 1.00 0.00 H new ATOM 0 HG21 VAL A 55 58.087 -5.310 -2.068 1.00 0.00 H new ATOM 0 HG22 VAL A 55 56.308 -5.253 -2.064 1.00 0.00 H new ATOM 0 HG23 VAL A 55 57.206 -4.936 -3.568 1.00 0.00 H new ATOM 925 N LEU A 56 55.759 -1.040 -0.915 1.00 0.00 N ATOM 926 CA LEU A 56 54.974 -0.406 0.175 1.00 0.00 C ATOM 927 C LEU A 56 54.068 0.735 -0.354 1.00 0.00 C ATOM 928 O LEU A 56 53.065 1.050 0.255 1.00 0.00 O ATOM 929 CB LEU A 56 56.045 0.034 1.200 1.00 0.00 C ATOM 930 CG LEU A 56 56.007 1.531 1.474 1.00 0.00 C ATOM 931 CD1 LEU A 56 56.267 2.281 0.178 1.00 0.00 C ATOM 932 CD2 LEU A 56 54.641 1.907 2.049 1.00 0.00 C ATOM 0 H LEU A 56 56.722 -0.719 -1.016 1.00 0.00 H new ATOM 0 HA LEU A 56 54.254 -1.078 0.642 1.00 0.00 H new ATOM 0 HB2 LEU A 56 55.894 -0.507 2.134 1.00 0.00 H new ATOM 0 HB3 LEU A 56 57.033 -0.240 0.829 1.00 0.00 H new ATOM 0 HG LEU A 56 56.776 1.800 2.198 1.00 0.00 H new ATOM 0 HD11 LEU A 56 56.241 3.354 0.367 1.00 0.00 H new ATOM 0 HD12 LEU A 56 57.247 2.005 -0.212 1.00 0.00 H new ATOM 0 HD13 LEU A 56 55.500 2.023 -0.552 1.00 0.00 H new ATOM 0 HD21 LEU A 56 54.612 2.979 2.246 1.00 0.00 H new ATOM 0 HD22 LEU A 56 53.861 1.648 1.333 1.00 0.00 H new ATOM 0 HD23 LEU A 56 54.475 1.363 2.979 1.00 0.00 H new ATOM 944 N THR A 57 54.369 1.340 -1.484 1.00 0.00 N ATOM 945 CA THR A 57 53.458 2.424 -1.991 1.00 0.00 C ATOM 946 C THR A 57 52.359 1.801 -2.859 1.00 0.00 C ATOM 947 O THR A 57 51.778 2.450 -3.707 1.00 0.00 O ATOM 948 CB THR A 57 54.304 3.385 -2.850 1.00 0.00 C ATOM 949 OG1 THR A 57 54.934 2.667 -3.896 1.00 0.00 O ATOM 950 CG2 THR A 57 55.363 4.093 -1.998 1.00 0.00 C ATOM 0 H THR A 57 55.183 1.138 -2.064 1.00 0.00 H new ATOM 0 HA THR A 57 52.996 2.957 -1.160 1.00 0.00 H new ATOM 0 HB THR A 57 53.641 4.140 -3.273 1.00 0.00 H new ATOM 0 HG1 THR A 57 54.855 1.705 -3.727 1.00 0.00 H new ATOM 0 HG21 THR A 57 55.946 4.765 -2.627 1.00 0.00 H new ATOM 0 HG22 THR A 57 54.873 4.666 -1.211 1.00 0.00 H new ATOM 0 HG23 THR A 57 56.024 3.352 -1.549 1.00 0.00 H new ATOM 958 N ASP A 58 52.068 0.544 -2.650 1.00 0.00 N ATOM 959 CA ASP A 58 51.009 -0.129 -3.450 1.00 0.00 C ATOM 960 C ASP A 58 50.242 -1.088 -2.567 1.00 0.00 C ATOM 961 O ASP A 58 50.785 -2.010 -1.994 1.00 0.00 O ATOM 962 CB ASP A 58 51.746 -0.869 -4.565 1.00 0.00 C ATOM 963 CG ASP A 58 51.285 -0.335 -5.922 1.00 0.00 C ATOM 964 OD1 ASP A 58 50.148 0.097 -6.010 1.00 0.00 O ATOM 965 OD2 ASP A 58 52.077 -0.366 -6.849 1.00 0.00 O ATOM 0 H ASP A 58 52.523 -0.047 -1.954 1.00 0.00 H new ATOM 0 HA ASP A 58 50.285 0.573 -3.863 1.00 0.00 H new ATOM 0 HB2 ASP A 58 52.822 -0.735 -4.456 1.00 0.00 H new ATOM 0 HB3 ASP A 58 51.550 -1.939 -4.497 1.00 0.00 H new ATOM 970 N SER A 59 48.980 -0.842 -2.435 1.00 0.00 N ATOM 971 CA SER A 59 48.149 -1.694 -1.564 1.00 0.00 C ATOM 972 C SER A 59 48.343 -3.180 -1.879 1.00 0.00 C ATOM 973 O SER A 59 48.455 -3.993 -0.987 1.00 0.00 O ATOM 974 CB SER A 59 46.709 -1.266 -1.841 1.00 0.00 C ATOM 975 OG SER A 59 46.236 -1.936 -3.002 1.00 0.00 O ATOM 0 H SER A 59 48.484 -0.080 -2.898 1.00 0.00 H new ATOM 0 HA SER A 59 48.420 -1.573 -0.515 1.00 0.00 H new ATOM 0 HB2 SER A 59 46.076 -1.504 -0.986 1.00 0.00 H new ATOM 0 HB3 SER A 59 46.659 -0.187 -1.984 1.00 0.00 H new ATOM 0 HG SER A 59 45.312 -1.665 -3.182 1.00 0.00 H new ATOM 981 N GLN A 60 48.370 -3.550 -3.130 1.00 0.00 N ATOM 982 CA GLN A 60 48.537 -4.998 -3.467 1.00 0.00 C ATOM 983 C GLN A 60 49.845 -5.554 -2.888 1.00 0.00 C ATOM 984 O GLN A 60 49.928 -6.710 -2.523 1.00 0.00 O ATOM 985 CB GLN A 60 48.539 -5.064 -5.000 1.00 0.00 C ATOM 986 CG GLN A 60 49.584 -4.102 -5.576 1.00 0.00 C ATOM 987 CD GLN A 60 48.885 -2.871 -6.154 1.00 0.00 C ATOM 988 OE1 GLN A 60 47.726 -2.630 -5.881 1.00 0.00 O ATOM 989 NE2 GLN A 60 49.549 -2.076 -6.949 1.00 0.00 N ATOM 0 H GLN A 60 48.285 -2.921 -3.929 1.00 0.00 H new ATOM 0 HA GLN A 60 47.738 -5.604 -3.040 1.00 0.00 H new ATOM 0 HB2 GLN A 60 48.754 -6.082 -5.326 1.00 0.00 H new ATOM 0 HB3 GLN A 60 47.551 -4.809 -5.382 1.00 0.00 H new ATOM 0 HG2 GLN A 60 50.285 -3.802 -4.797 1.00 0.00 H new ATOM 0 HG3 GLN A 60 50.164 -4.601 -6.352 1.00 0.00 H new ATOM 0 HE21 GLN A 60 50.522 -2.279 -7.177 1.00 0.00 H new ATOM 0 HE22 GLN A 60 49.095 -1.251 -7.342 1.00 0.00 H new ATOM 998 N LYS A 61 50.865 -4.747 -2.801 1.00 0.00 N ATOM 999 CA LYS A 61 52.163 -5.230 -2.244 1.00 0.00 C ATOM 1000 C LYS A 61 52.115 -5.276 -0.719 1.00 0.00 C ATOM 1001 O LYS A 61 52.180 -6.326 -0.116 1.00 0.00 O ATOM 1002 CB LYS A 61 53.182 -4.209 -2.721 1.00 0.00 C ATOM 1003 CG LYS A 61 53.703 -4.565 -4.119 1.00 0.00 C ATOM 1004 CD LYS A 61 52.591 -5.164 -4.998 1.00 0.00 C ATOM 1005 CE LYS A 61 53.221 -6.014 -6.105 1.00 0.00 C ATOM 1006 NZ LYS A 61 54.238 -5.134 -6.751 1.00 0.00 N ATOM 0 H LYS A 61 50.857 -3.770 -3.092 1.00 0.00 H new ATOM 0 HA LYS A 61 52.404 -6.241 -2.571 1.00 0.00 H new ATOM 0 HB2 LYS A 61 52.728 -3.218 -2.739 1.00 0.00 H new ATOM 0 HB3 LYS A 61 54.015 -4.165 -2.019 1.00 0.00 H new ATOM 0 HG2 LYS A 61 54.105 -3.672 -4.597 1.00 0.00 H new ATOM 0 HG3 LYS A 61 54.524 -5.277 -4.032 1.00 0.00 H new ATOM 0 HD2 LYS A 61 51.922 -5.775 -4.392 1.00 0.00 H new ATOM 0 HD3 LYS A 61 51.988 -4.368 -5.434 1.00 0.00 H new ATOM 0 HE2 LYS A 61 53.682 -6.913 -5.696 1.00 0.00 H new ATOM 0 HE3 LYS A 61 52.470 -6.341 -6.825 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 54.400 -5.450 -7.728 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 53.894 -4.153 -6.757 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 55.130 -5.185 -6.218 1.00 0.00 H new ATOM 1020 N ARG A 62 52.017 -4.141 -0.091 1.00 0.00 N ATOM 1021 CA ARG A 62 51.982 -4.112 1.395 1.00 0.00 C ATOM 1022 C ARG A 62 51.025 -5.176 1.939 1.00 0.00 C ATOM 1023 O ARG A 62 51.207 -5.683 3.026 1.00 0.00 O ATOM 1024 CB ARG A 62 51.484 -2.714 1.748 1.00 0.00 C ATOM 1025 CG ARG A 62 50.163 -2.459 1.024 1.00 0.00 C ATOM 1026 CD ARG A 62 49.307 -1.491 1.843 1.00 0.00 C ATOM 1027 NE ARG A 62 49.924 -0.153 1.629 1.00 0.00 N ATOM 1028 CZ ARG A 62 49.413 0.901 2.204 1.00 0.00 C ATOM 1029 NH1 ARG A 62 48.891 0.805 3.397 1.00 0.00 N ATOM 1030 NH2 ARG A 62 49.425 2.051 1.588 1.00 0.00 N ATOM 0 H ARG A 62 51.959 -3.229 -0.544 1.00 0.00 H new ATOM 0 HA ARG A 62 52.959 -4.325 1.829 1.00 0.00 H new ATOM 0 HB2 ARG A 62 51.346 -2.624 2.826 1.00 0.00 H new ATOM 0 HB3 ARG A 62 52.223 -1.967 1.458 1.00 0.00 H new ATOM 0 HG2 ARG A 62 50.353 -2.044 0.034 1.00 0.00 H new ATOM 0 HG3 ARG A 62 49.629 -3.398 0.878 1.00 0.00 H new ATOM 0 HD2 ARG A 62 48.269 -1.504 1.511 1.00 0.00 H new ATOM 0 HD3 ARG A 62 49.307 -1.761 2.899 1.00 0.00 H new ATOM 0 HE ARG A 62 50.746 -0.060 1.033 1.00 0.00 H new ATOM 0 HH11 ARG A 62 48.883 -0.094 3.879 1.00 0.00 H new ATOM 0 HH12 ARG A 62 48.492 1.629 3.847 1.00 0.00 H new ATOM 0 HH21 ARG A 62 49.834 2.126 0.657 1.00 0.00 H new ATOM 0 HH22 ARG A 62 49.025 2.875 2.038 1.00 0.00 H new ATOM 1044 N ALA A 63 50.015 -5.530 1.194 1.00 0.00 N ATOM 1045 CA ALA A 63 49.071 -6.574 1.688 1.00 0.00 C ATOM 1046 C ALA A 63 49.742 -7.932 1.553 1.00 0.00 C ATOM 1047 O ALA A 63 49.454 -8.865 2.273 1.00 0.00 O ATOM 1048 CB ALA A 63 47.843 -6.486 0.781 1.00 0.00 C ATOM 0 H ALA A 63 49.803 -5.147 0.273 1.00 0.00 H new ATOM 0 HA ALA A 63 48.792 -6.434 2.732 1.00 0.00 H new ATOM 0 HB1 ALA A 63 47.108 -7.229 1.091 1.00 0.00 H new ATOM 0 HB2 ALA A 63 47.406 -5.490 0.856 1.00 0.00 H new ATOM 0 HB3 ALA A 63 48.138 -6.676 -0.251 1.00 0.00 H new ATOM 1054 N ALA A 64 50.650 -8.032 0.628 1.00 0.00 N ATOM 1055 CA ALA A 64 51.382 -9.305 0.417 1.00 0.00 C ATOM 1056 C ALA A 64 52.636 -9.333 1.292 1.00 0.00 C ATOM 1057 O ALA A 64 52.927 -10.313 1.948 1.00 0.00 O ATOM 1058 CB ALA A 64 51.757 -9.293 -1.063 1.00 0.00 C ATOM 0 H ALA A 64 50.919 -7.274 0.001 1.00 0.00 H new ATOM 0 HA ALA A 64 50.790 -10.182 0.681 1.00 0.00 H new ATOM 0 HB1 ALA A 64 52.305 -10.203 -1.307 1.00 0.00 H new ATOM 0 HB2 ALA A 64 50.851 -9.241 -1.667 1.00 0.00 H new ATOM 0 HB3 ALA A 64 52.383 -8.426 -1.273 1.00 0.00 H new ATOM 1064 N TYR A 65 53.386 -8.264 1.297 1.00 0.00 N ATOM 1065 CA TYR A 65 54.625 -8.231 2.120 1.00 0.00 C ATOM 1066 C TYR A 65 54.287 -8.189 3.611 1.00 0.00 C ATOM 1067 O TYR A 65 55.086 -8.565 4.444 1.00 0.00 O ATOM 1068 CB TYR A 65 55.342 -6.957 1.689 1.00 0.00 C ATOM 1069 CG TYR A 65 55.934 -7.170 0.317 1.00 0.00 C ATOM 1070 CD1 TYR A 65 55.163 -6.927 -0.826 1.00 0.00 C ATOM 1071 CD2 TYR A 65 57.250 -7.627 0.188 1.00 0.00 C ATOM 1072 CE1 TYR A 65 55.707 -7.145 -2.097 1.00 0.00 C ATOM 1073 CE2 TYR A 65 57.796 -7.841 -1.082 1.00 0.00 C ATOM 1074 CZ TYR A 65 57.024 -7.603 -2.225 1.00 0.00 C ATOM 1075 OH TYR A 65 57.563 -7.816 -3.479 1.00 0.00 O ATOM 0 H TYR A 65 53.193 -7.414 0.767 1.00 0.00 H new ATOM 0 HA TYR A 65 55.241 -9.119 1.973 1.00 0.00 H new ATOM 0 HB2 TYR A 65 54.645 -6.119 1.673 1.00 0.00 H new ATOM 0 HB3 TYR A 65 56.126 -6.706 2.403 1.00 0.00 H new ATOM 0 HD1 TYR A 65 54.148 -6.571 -0.727 1.00 0.00 H new ATOM 0 HD2 TYR A 65 57.845 -7.815 1.070 1.00 0.00 H new ATOM 0 HE1 TYR A 65 55.111 -6.960 -2.979 1.00 0.00 H new ATOM 0 HE2 TYR A 65 58.813 -8.190 -1.181 1.00 0.00 H new ATOM 0 HH TYR A 65 58.486 -8.132 -3.389 1.00 0.00 H new