USER MOD reduce.3.24.130724 H: found=0, std=0, add=650, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 651 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 Single : X 6 SER OG : rot 180:sc= -0.117 USER MOD Single : X 7 GLN : amide:sc= -0.011 K(o=-0.011,f=-1.6!) USER MOD Single : X 8 HIS : no HE2:sc= -1.07 K(o=-1.1,f=-2.2) USER MOD Single : X 11 TYR OH : rot 180:sc= 0 USER MOD Single : X 14 GLN : amide:sc= 0 K(o=0,f=-1.2!) USER MOD Single : X 16 LYS NZ :NH3+ 149:sc= -3.47! (180deg=-4.52!) USER MOD Single : X 17 GLN : amide:sc= -0.132 X(o=-0.13,f=-0.2) USER MOD Single : X 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 21 THR OG1 : rot -65:sc= 0.65 USER MOD Single : X 25 LYS NZ :NH3+ -141:sc= -0.077 (180deg=-0.728) USER MOD Single : X 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 28 TYR OH : rot 120:sc= -0.137 USER MOD Single : X 33 LYS NZ :NH3+ -168:sc=-0.00367 (180deg=-0.187) USER MOD Single : X 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 62 CYS SG : rot 180:sc= -1.19! USER MOD Single : X 64 GLN : amide:sc= -4.8! C(o=-4.8!,f=-7.1!) USER MOD Single : X 66 TYR OH : rot 180:sc= 0 USER MOD Single : X 67 TYR OH : rot 180:sc= 0 USER MOD Single : X 68 ASN : amide:sc= -3.63! C(o=-3.6!,f=-7!) USER MOD Single : X 69 THR OG1 : rot 107:sc= 0.871 USER MOD Single : X 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 78 THR OG1 : rot 180:sc= -0.0103 USER MOD Single : X 81 SER OG : rot -53:sc= 0.447 USER MOD Single : X 82 TYR OH : rot -67:sc= 0.806 USER MOD Single : X 84 ASN : amide:sc= -0.0254 X(o=-0.025,f=-0.24) USER MOD Single : X 87 LYS NZ :NH3+ -154:sc= 0.00667 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 78 N SER X 6 68.747 -0.819 -9.659 1.00 1.00 N ATOM 79 CA SER X 6 68.948 0.568 -9.251 1.00 1.00 C ATOM 80 C SER X 6 70.348 1.041 -9.631 1.00 1.00 C ATOM 81 O SER X 6 71.225 0.235 -9.940 1.00 1.00 O ATOM 82 CB SER X 6 68.760 0.699 -7.741 1.00 1.00 C ATOM 83 OG SER X 6 69.778 -0.037 -7.076 1.00 1.00 O ATOM 0 HA SER X 6 68.214 1.188 -9.765 1.00 1.00 H new ATOM 0 HB2 SER X 6 68.802 1.748 -7.447 1.00 1.00 H new ATOM 0 HB3 SER X 6 67.777 0.326 -7.451 1.00 1.00 H new ATOM 0 HG SER X 6 69.661 0.046 -6.107 1.00 1.00 H new ATOM 89 N GLN X 7 70.547 2.354 -9.611 1.00 1.00 N ATOM 90 CA GLN X 7 71.842 2.926 -9.958 1.00 1.00 C ATOM 91 C GLN X 7 72.904 2.510 -8.944 1.00 1.00 C ATOM 92 O GLN X 7 74.081 2.376 -9.283 1.00 1.00 O ATOM 93 CB GLN X 7 71.744 4.454 -10.005 1.00 1.00 C ATOM 94 CG GLN X 7 73.094 5.042 -10.422 1.00 1.00 C ATOM 95 CD GLN X 7 72.964 6.545 -10.641 1.00 1.00 C ATOM 96 OE1 GLN X 7 71.862 7.050 -10.857 1.00 1.00 O ATOM 97 NE2 GLN X 7 74.031 7.296 -10.595 1.00 1.00 N ATOM 0 H GLN X 7 69.833 3.038 -9.360 1.00 1.00 H new ATOM 0 HA GLN X 7 72.131 2.551 -10.940 1.00 1.00 H new ATOM 0 HB2 GLN X 7 70.970 4.757 -10.710 1.00 1.00 H new ATOM 0 HB3 GLN X 7 71.454 4.840 -9.028 1.00 1.00 H new ATOM 0 HG2 GLN X 7 73.840 4.842 -9.653 1.00 1.00 H new ATOM 0 HG3 GLN X 7 73.442 4.562 -11.337 1.00 1.00 H new ATOM 0 HE21 GLN X 7 74.943 6.876 -10.416 1.00 1.00 H new ATOM 0 HE22 GLN X 7 73.953 8.303 -10.738 1.00 1.00 H new ATOM 106 N HIS X 8 72.484 2.313 -7.698 1.00 1.00 N ATOM 107 CA HIS X 8 73.410 1.919 -6.643 1.00 1.00 C ATOM 108 C HIS X 8 73.956 0.518 -6.908 1.00 1.00 C ATOM 109 O HIS X 8 75.148 0.257 -6.732 1.00 1.00 O ATOM 110 CB HIS X 8 72.704 1.952 -5.286 1.00 1.00 C ATOM 111 CG HIS X 8 73.724 1.829 -4.191 1.00 1.00 C ATOM 112 ND1 HIS X 8 74.968 2.436 -4.269 1.00 1.00 N ATOM 113 CD2 HIS X 8 73.701 1.177 -2.982 1.00 1.00 C ATOM 114 CE1 HIS X 8 75.636 2.140 -3.139 1.00 1.00 C ATOM 115 NE2 HIS X 8 74.909 1.375 -2.320 1.00 1.00 N ATOM 0 H HIS X 8 71.515 2.419 -7.396 1.00 1.00 H new ATOM 0 HA HIS X 8 74.242 2.623 -6.631 1.00 1.00 H new ATOM 0 HB2 HIS X 8 72.146 2.882 -5.176 1.00 1.00 H new ATOM 0 HB3 HIS X 8 71.982 1.138 -5.219 1.00 1.00 H new ATOM 0 HD1 HIS X 8 75.314 3.004 -5.042 1.00 1.00 H new ATOM 0 HD2 HIS X 8 72.871 0.599 -2.603 1.00 1.00 H new ATOM 0 HE1 HIS X 8 76.638 2.480 -2.921 1.00 1.00 H new ATOM 123 N GLU X 9 73.074 -0.379 -7.339 1.00 1.00 N ATOM 124 CA GLU X 9 73.475 -1.750 -7.632 1.00 1.00 C ATOM 125 C GLU X 9 74.453 -1.784 -8.800 1.00 1.00 C ATOM 126 O GLU X 9 75.413 -2.554 -8.793 1.00 1.00 O ATOM 127 CB GLU X 9 72.247 -2.594 -7.969 1.00 1.00 C ATOM 128 CG GLU X 9 71.426 -2.841 -6.701 1.00 1.00 C ATOM 129 CD GLU X 9 70.172 -3.640 -7.039 1.00 1.00 C ATOM 130 OE1 GLU X 9 69.999 -3.972 -8.199 1.00 1.00 O ATOM 131 OE2 GLU X 9 69.405 -3.910 -6.129 1.00 1.00 O ATOM 0 H GLU X 9 72.085 -0.183 -7.492 1.00 1.00 H new ATOM 0 HA GLU X 9 73.966 -2.160 -6.749 1.00 1.00 H new ATOM 0 HB2 GLU X 9 71.637 -2.084 -8.715 1.00 1.00 H new ATOM 0 HB3 GLU X 9 72.556 -3.544 -8.405 1.00 1.00 H new ATOM 0 HG2 GLU X 9 72.026 -3.382 -5.969 1.00 1.00 H new ATOM 0 HG3 GLU X 9 71.150 -1.890 -6.246 1.00 1.00 H new ATOM 138 N ARG X 10 74.204 -0.946 -9.802 1.00 1.00 N ATOM 139 CA ARG X 10 75.069 -0.891 -10.968 1.00 1.00 C ATOM 140 C ARG X 10 76.463 -0.403 -10.580 1.00 1.00 C ATOM 141 O ARG X 10 77.464 -0.878 -11.112 1.00 1.00 O ATOM 142 CB ARG X 10 74.475 0.056 -12.011 1.00 1.00 C ATOM 143 CG ARG X 10 73.159 -0.520 -12.529 1.00 1.00 C ATOM 144 CD ARG X 10 72.529 0.456 -13.526 1.00 1.00 C ATOM 145 NE ARG X 10 73.383 0.603 -14.699 1.00 1.00 N ATOM 146 CZ ARG X 10 73.121 1.512 -15.632 1.00 1.00 C ATOM 147 NH1 ARG X 10 72.085 2.295 -15.508 1.00 1.00 N ATOM 148 NH2 ARG X 10 73.900 1.621 -16.673 1.00 1.00 N ATOM 0 H ARG X 10 73.414 -0.301 -9.827 1.00 1.00 H new ATOM 0 HA ARG X 10 75.148 -1.895 -11.385 1.00 1.00 H new ATOM 0 HB2 ARG X 10 74.306 1.039 -11.571 1.00 1.00 H new ATOM 0 HB3 ARG X 10 75.175 0.191 -12.836 1.00 1.00 H new ATOM 0 HG2 ARG X 10 73.335 -1.483 -13.009 1.00 1.00 H new ATOM 0 HG3 ARG X 10 72.476 -0.698 -11.698 1.00 1.00 H new ATOM 0 HD2 ARG X 10 71.546 0.095 -13.827 1.00 1.00 H new ATOM 0 HD3 ARG X 10 72.381 1.426 -13.052 1.00 1.00 H new ATOM 0 HE ARG X 10 74.196 -0.003 -14.805 1.00 1.00 H new ATOM 0 HH11 ARG X 10 71.476 2.210 -14.694 1.00 1.00 H new ATOM 0 HH12 ARG X 10 71.884 2.993 -16.225 1.00 1.00 H new ATOM 0 HH21 ARG X 10 74.710 1.008 -16.770 1.00 1.00 H new ATOM 0 HH22 ARG X 10 73.699 2.319 -17.389 1.00 1.00 H new ATOM 162 N TYR X 11 76.521 0.553 -9.657 1.00 1.00 N ATOM 163 CA TYR X 11 77.802 1.101 -9.223 1.00 1.00 C ATOM 164 C TYR X 11 78.689 -0.003 -8.653 1.00 1.00 C ATOM 165 O TYR X 11 79.852 -0.140 -9.035 1.00 1.00 O ATOM 166 CB TYR X 11 77.568 2.172 -8.156 1.00 1.00 C ATOM 167 CG TYR X 11 78.895 2.698 -7.670 1.00 1.00 C ATOM 168 CD1 TYR X 11 79.623 3.591 -8.466 1.00 1.00 C ATOM 169 CD2 TYR X 11 79.399 2.296 -6.428 1.00 1.00 C ATOM 170 CE1 TYR X 11 80.856 4.082 -8.019 1.00 1.00 C ATOM 171 CE2 TYR X 11 80.632 2.786 -5.980 1.00 1.00 C ATOM 172 CZ TYR X 11 81.361 3.679 -6.776 1.00 1.00 C ATOM 173 OH TYR X 11 82.575 4.162 -6.335 1.00 1.00 O ATOM 0 H TYR X 11 75.705 0.961 -9.200 1.00 1.00 H new ATOM 0 HA TYR X 11 78.302 1.545 -10.084 1.00 1.00 H new ATOM 0 HB2 TYR X 11 76.971 2.986 -8.568 1.00 1.00 H new ATOM 0 HB3 TYR X 11 77.004 1.753 -7.323 1.00 1.00 H new ATOM 0 HD1 TYR X 11 79.234 3.901 -9.424 1.00 1.00 H new ATOM 0 HD2 TYR X 11 78.837 1.607 -5.815 1.00 1.00 H new ATOM 0 HE1 TYR X 11 81.417 4.771 -8.632 1.00 1.00 H new ATOM 0 HE2 TYR X 11 81.021 2.476 -5.021 1.00 1.00 H new ATOM 0 HH TYR X 11 82.777 3.784 -5.454 1.00 1.00 H new ATOM 183 N VAL X 12 78.130 -0.794 -7.748 1.00 1.00 N ATOM 184 CA VAL X 12 78.877 -1.893 -7.146 1.00 1.00 C ATOM 185 C VAL X 12 79.250 -2.935 -8.194 1.00 1.00 C ATOM 186 O VAL X 12 80.390 -3.397 -8.242 1.00 1.00 O ATOM 187 CB VAL X 12 78.048 -2.549 -6.039 1.00 1.00 C ATOM 188 CG1 VAL X 12 78.526 -3.984 -5.813 1.00 1.00 C ATOM 189 CG2 VAL X 12 78.231 -1.759 -4.745 1.00 1.00 C ATOM 0 H VAL X 12 77.170 -0.698 -7.416 1.00 1.00 H new ATOM 0 HA VAL X 12 79.794 -1.486 -6.719 1.00 1.00 H new ATOM 0 HB VAL X 12 76.998 -2.557 -6.332 1.00 1.00 H new ATOM 0 HG11 VAL X 12 77.932 -4.445 -5.024 1.00 1.00 H new ATOM 0 HG12 VAL X 12 78.411 -4.555 -6.734 1.00 1.00 H new ATOM 0 HG13 VAL X 12 79.576 -3.976 -5.519 1.00 1.00 H new ATOM 0 HG21 VAL X 12 77.643 -2.220 -3.951 1.00 1.00 H new ATOM 0 HG22 VAL X 12 79.284 -1.760 -4.464 1.00 1.00 H new ATOM 0 HG23 VAL X 12 77.896 -0.733 -4.895 1.00 1.00 H new ATOM 199 N GLU X 13 78.281 -3.305 -9.031 1.00 1.00 N ATOM 200 CA GLU X 13 78.516 -4.289 -10.062 1.00 1.00 C ATOM 201 C GLU X 13 79.756 -3.922 -10.866 1.00 1.00 C ATOM 202 O GLU X 13 80.554 -4.787 -11.221 1.00 1.00 O ATOM 203 CB GLU X 13 77.299 -4.351 -10.986 1.00 1.00 C ATOM 204 CG GLU X 13 77.493 -5.470 -11.996 1.00 1.00 C ATOM 205 CD GLU X 13 76.284 -5.562 -12.921 1.00 1.00 C ATOM 206 OE1 GLU X 13 75.450 -4.673 -12.863 1.00 1.00 O ATOM 207 OE2 GLU X 13 76.206 -6.521 -13.671 1.00 1.00 O ATOM 0 H GLU X 13 77.331 -2.933 -9.007 1.00 1.00 H new ATOM 0 HA GLU X 13 78.675 -5.263 -9.600 1.00 1.00 H new ATOM 0 HB2 GLU X 13 76.394 -4.524 -10.404 1.00 1.00 H new ATOM 0 HB3 GLU X 13 77.170 -3.399 -11.501 1.00 1.00 H new ATOM 0 HG2 GLU X 13 78.395 -5.289 -12.581 1.00 1.00 H new ATOM 0 HG3 GLU X 13 77.635 -6.418 -11.477 1.00 1.00 H new ATOM 214 N GLN X 14 79.911 -2.638 -11.152 1.00 1.00 N ATOM 215 CA GLN X 14 81.068 -2.178 -11.917 1.00 1.00 C ATOM 216 C GLN X 14 82.354 -2.417 -11.141 1.00 1.00 C ATOM 217 O GLN X 14 83.353 -2.870 -11.701 1.00 1.00 O ATOM 218 CB GLN X 14 80.932 -0.688 -12.238 1.00 1.00 C ATOM 219 CG GLN X 14 79.839 -0.482 -13.289 1.00 1.00 C ATOM 220 CD GLN X 14 79.628 1.008 -13.544 1.00 1.00 C ATOM 221 OE1 GLN X 14 80.354 1.839 -12.999 1.00 1.00 O ATOM 222 NE2 GLN X 14 78.675 1.395 -14.346 1.00 1.00 N ATOM 0 H GLN X 14 79.262 -1.902 -10.872 1.00 1.00 H new ATOM 0 HA GLN X 14 81.108 -2.745 -12.847 1.00 1.00 H new ATOM 0 HB2 GLN X 14 80.688 -0.132 -11.333 1.00 1.00 H new ATOM 0 HB3 GLN X 14 81.881 -0.298 -12.606 1.00 1.00 H new ATOM 0 HG2 GLN X 14 80.118 -0.981 -14.217 1.00 1.00 H new ATOM 0 HG3 GLN X 14 78.908 -0.936 -12.950 1.00 1.00 H new ATOM 0 HE21 GLN X 14 78.075 0.704 -14.796 1.00 1.00 H new ATOM 0 HE22 GLN X 14 78.530 2.389 -14.523 1.00 1.00 H new ATOM 231 N LEU X 15 82.321 -2.116 -9.849 1.00 1.00 N ATOM 232 CA LEU X 15 83.490 -2.306 -9.007 1.00 1.00 C ATOM 233 C LEU X 15 83.853 -3.774 -8.949 1.00 1.00 C ATOM 234 O LEU X 15 85.016 -4.138 -9.032 1.00 1.00 O ATOM 235 CB LEU X 15 83.213 -1.805 -7.588 1.00 1.00 C ATOM 236 CG LEU X 15 83.002 -0.285 -7.619 1.00 1.00 C ATOM 237 CD1 LEU X 15 82.591 0.200 -6.231 1.00 1.00 C ATOM 238 CD2 LEU X 15 84.299 0.422 -8.037 1.00 1.00 C ATOM 0 H LEU X 15 81.504 -1.742 -9.367 1.00 1.00 H new ATOM 0 HA LEU X 15 84.316 -1.739 -9.435 1.00 1.00 H new ATOM 0 HB2 LEU X 15 82.330 -2.298 -7.182 1.00 1.00 H new ATOM 0 HB3 LEU X 15 84.047 -2.055 -6.932 1.00 1.00 H new ATOM 0 HG LEU X 15 82.219 -0.052 -8.341 1.00 1.00 H new ATOM 0 HD11 LEU X 15 82.441 1.279 -6.252 1.00 1.00 H new ATOM 0 HD12 LEU X 15 81.663 -0.289 -5.934 1.00 1.00 H new ATOM 0 HD13 LEU X 15 83.375 -0.043 -5.514 1.00 1.00 H new ATOM 0 HD21 LEU X 15 84.136 1.500 -8.055 1.00 1.00 H new ATOM 0 HD22 LEU X 15 85.088 0.186 -7.323 1.00 1.00 H new ATOM 0 HD23 LEU X 15 84.595 0.083 -9.030 1.00 1.00 H new ATOM 250 N LYS X 16 82.853 -4.623 -8.807 1.00 1.00 N ATOM 251 CA LYS X 16 83.110 -6.053 -8.735 1.00 1.00 C ATOM 252 C LYS X 16 83.873 -6.544 -9.957 1.00 1.00 C ATOM 253 O LYS X 16 84.845 -7.269 -9.830 1.00 1.00 O ATOM 254 CB LYS X 16 81.794 -6.814 -8.657 1.00 1.00 C ATOM 255 CG LYS X 16 81.550 -7.291 -7.232 1.00 1.00 C ATOM 256 CD LYS X 16 80.170 -7.941 -7.154 1.00 1.00 C ATOM 257 CE LYS X 16 79.937 -8.451 -5.732 1.00 1.00 C ATOM 258 NZ LYS X 16 79.807 -7.302 -4.791 1.00 1.00 N ATOM 0 H LYS X 16 81.871 -4.356 -8.740 1.00 1.00 H new ATOM 0 HA LYS X 16 83.711 -6.232 -7.843 1.00 1.00 H new ATOM 0 HB2 LYS X 16 80.974 -6.172 -8.980 1.00 1.00 H new ATOM 0 HB3 LYS X 16 81.817 -7.667 -9.335 1.00 1.00 H new ATOM 0 HG2 LYS X 16 82.319 -8.005 -6.937 1.00 1.00 H new ATOM 0 HG3 LYS X 16 81.611 -6.452 -6.539 1.00 1.00 H new ATOM 0 HD2 LYS X 16 79.399 -7.220 -7.426 1.00 1.00 H new ATOM 0 HD3 LYS X 16 80.102 -8.765 -7.865 1.00 1.00 H new ATOM 0 HE2 LYS X 16 79.035 -9.062 -5.700 1.00 1.00 H new ATOM 0 HE3 LYS X 16 80.765 -9.090 -5.426 1.00 1.00 H new ATOM 0 HZ1 LYS X 16 79.168 -7.562 -4.012 1.00 1.00 H new ATOM 0 HZ2 LYS X 16 80.743 -7.061 -4.406 1.00 1.00 H new ATOM 0 HZ3 LYS X 16 79.419 -6.481 -5.297 1.00 1.00 H new ATOM 272 N GLN X 17 83.436 -6.160 -11.143 1.00 1.00 N ATOM 273 CA GLN X 17 84.110 -6.613 -12.355 1.00 1.00 C ATOM 274 C GLN X 17 85.584 -6.200 -12.364 1.00 1.00 C ATOM 275 O GLN X 17 86.469 -7.005 -12.676 1.00 1.00 O ATOM 276 CB GLN X 17 83.408 -6.014 -13.565 1.00 1.00 C ATOM 277 CG GLN X 17 81.970 -6.531 -13.619 1.00 1.00 C ATOM 278 CD GLN X 17 81.955 -8.013 -13.980 1.00 1.00 C ATOM 279 OE1 GLN X 17 82.516 -8.411 -15.001 1.00 1.00 O ATOM 280 NE2 GLN X 17 81.343 -8.858 -13.197 1.00 1.00 N ATOM 0 H GLN X 17 82.634 -5.548 -11.296 1.00 1.00 H new ATOM 0 HA GLN X 17 84.066 -7.702 -12.388 1.00 1.00 H new ATOM 0 HB2 GLN X 17 83.414 -4.926 -13.502 1.00 1.00 H new ATOM 0 HB3 GLN X 17 83.938 -6.283 -14.478 1.00 1.00 H new ATOM 0 HG2 GLN X 17 81.485 -6.379 -12.655 1.00 1.00 H new ATOM 0 HG3 GLN X 17 81.400 -5.964 -14.355 1.00 1.00 H new ATOM 0 HE21 GLN X 17 80.879 -8.526 -12.352 1.00 1.00 H new ATOM 0 HE22 GLN X 17 81.329 -9.851 -13.430 1.00 1.00 H new ATOM 289 N ALA X 18 85.845 -4.940 -12.039 1.00 1.00 N ATOM 290 CA ALA X 18 87.212 -4.433 -12.038 1.00 1.00 C ATOM 291 C ALA X 18 88.037 -5.016 -10.890 1.00 1.00 C ATOM 292 O ALA X 18 89.129 -5.542 -11.109 1.00 1.00 O ATOM 293 CB ALA X 18 87.183 -2.912 -11.919 1.00 1.00 C ATOM 0 H ALA X 18 85.136 -4.256 -11.775 1.00 1.00 H new ATOM 0 HA ALA X 18 87.683 -4.735 -12.973 1.00 1.00 H new ATOM 0 HB1 ALA X 18 88.203 -2.528 -11.918 1.00 1.00 H new ATOM 0 HB2 ALA X 18 86.638 -2.491 -12.764 1.00 1.00 H new ATOM 0 HB3 ALA X 18 86.688 -2.629 -10.990 1.00 1.00 H new ATOM 299 N LEU X 19 87.523 -4.906 -9.670 1.00 1.00 N ATOM 300 CA LEU X 19 88.225 -5.421 -8.502 1.00 1.00 C ATOM 301 C LEU X 19 88.370 -6.940 -8.567 1.00 1.00 C ATOM 302 O LEU X 19 89.417 -7.489 -8.235 1.00 1.00 O ATOM 303 CB LEU X 19 87.466 -5.020 -7.232 1.00 1.00 C ATOM 304 CG LEU X 19 87.857 -3.602 -6.817 1.00 1.00 C ATOM 305 CD1 LEU X 19 87.748 -2.642 -8.001 1.00 1.00 C ATOM 306 CD2 LEU X 19 86.923 -3.133 -5.706 1.00 1.00 C ATOM 0 H LEU X 19 86.626 -4.466 -9.465 1.00 1.00 H new ATOM 0 HA LEU X 19 89.226 -4.990 -8.484 1.00 1.00 H new ATOM 0 HB2 LEU X 19 86.392 -5.073 -7.408 1.00 1.00 H new ATOM 0 HB3 LEU X 19 87.692 -5.719 -6.427 1.00 1.00 H new ATOM 0 HG LEU X 19 88.889 -3.611 -6.468 1.00 1.00 H new ATOM 0 HD11 LEU X 19 88.031 -1.639 -7.683 1.00 1.00 H new ATOM 0 HD12 LEU X 19 88.414 -2.971 -8.799 1.00 1.00 H new ATOM 0 HD13 LEU X 19 86.721 -2.631 -8.367 1.00 1.00 H new ATOM 0 HD21 LEU X 19 87.196 -2.122 -5.404 1.00 1.00 H new ATOM 0 HD22 LEU X 19 85.895 -3.139 -6.068 1.00 1.00 H new ATOM 0 HD23 LEU X 19 87.010 -3.803 -4.850 1.00 1.00 H new ATOM 318 N LYS X 20 87.323 -7.619 -8.993 1.00 1.00 N ATOM 319 CA LYS X 20 87.364 -9.072 -9.075 1.00 1.00 C ATOM 320 C LYS X 20 88.527 -9.534 -9.934 1.00 1.00 C ATOM 321 O LYS X 20 89.205 -10.504 -9.594 1.00 1.00 O ATOM 322 CB LYS X 20 86.051 -9.604 -9.656 1.00 1.00 C ATOM 323 CG LYS X 20 86.083 -11.128 -9.735 1.00 1.00 C ATOM 324 CD LYS X 20 84.744 -11.633 -10.267 1.00 1.00 C ATOM 325 CE LYS X 20 84.774 -13.159 -10.325 1.00 1.00 C ATOM 326 NZ LYS X 20 83.460 -13.664 -10.813 1.00 1.00 N ATOM 0 H LYS X 20 86.442 -7.197 -9.285 1.00 1.00 H new ATOM 0 HA LYS X 20 87.499 -9.464 -8.067 1.00 1.00 H new ATOM 0 HB2 LYS X 20 85.215 -9.283 -9.035 1.00 1.00 H new ATOM 0 HB3 LYS X 20 85.889 -9.185 -10.649 1.00 1.00 H new ATOM 0 HG2 LYS X 20 86.893 -11.453 -10.388 1.00 1.00 H new ATOM 0 HG3 LYS X 20 86.279 -11.551 -8.750 1.00 1.00 H new ATOM 0 HD2 LYS X 20 83.932 -11.297 -9.622 1.00 1.00 H new ATOM 0 HD3 LYS X 20 84.554 -11.222 -11.259 1.00 1.00 H new ATOM 0 HE2 LYS X 20 85.573 -13.493 -10.988 1.00 1.00 H new ATOM 0 HE3 LYS X 20 84.988 -13.567 -9.337 1.00 1.00 H new ATOM 0 HZ1 LYS X 20 83.480 -14.703 -10.853 1.00 1.00 H new ATOM 0 HZ2 LYS X 20 82.707 -13.357 -10.164 1.00 1.00 H new ATOM 0 HZ3 LYS X 20 83.274 -13.285 -11.763 1.00 1.00 H new ATOM 340 N THR X 21 88.757 -8.848 -11.040 1.00 1.00 N ATOM 341 CA THR X 21 89.848 -9.216 -11.926 1.00 1.00 C ATOM 342 C THR X 21 91.192 -9.067 -11.212 1.00 1.00 C ATOM 343 O THR X 21 92.217 -9.551 -11.698 1.00 1.00 O ATOM 344 CB THR X 21 89.824 -8.336 -13.170 1.00 1.00 C ATOM 345 OG1 THR X 21 89.992 -6.978 -12.785 1.00 1.00 O ATOM 346 CG2 THR X 21 88.486 -8.502 -13.891 1.00 1.00 C ATOM 0 H THR X 21 88.210 -8.042 -11.344 1.00 1.00 H new ATOM 0 HA THR X 21 89.722 -10.258 -12.219 1.00 1.00 H new ATOM 0 HB THR X 21 90.632 -8.629 -13.841 1.00 1.00 H new ATOM 0 HG1 THR X 21 89.225 -6.694 -12.245 1.00 1.00 H new ATOM 0 HG21 THR X 21 88.471 -7.872 -14.780 1.00 1.00 H new ATOM 0 HG22 THR X 21 88.357 -9.544 -14.183 1.00 1.00 H new ATOM 0 HG23 THR X 21 87.675 -8.208 -13.225 1.00 1.00 H new ATOM 354 N ARG X 22 91.186 -8.385 -10.070 1.00 1.00 N ATOM 355 CA ARG X 22 92.410 -8.181 -9.310 1.00 1.00 C ATOM 356 C ARG X 22 92.537 -9.207 -8.185 1.00 1.00 C ATOM 357 O ARG X 22 93.558 -9.260 -7.501 1.00 1.00 O ATOM 358 CB ARG X 22 92.418 -6.773 -8.720 1.00 1.00 C ATOM 359 CG ARG X 22 92.306 -5.767 -9.860 1.00 1.00 C ATOM 360 CD ARG X 22 92.368 -4.351 -9.295 1.00 1.00 C ATOM 361 NE ARG X 22 92.344 -3.367 -10.375 1.00 1.00 N ATOM 362 CZ ARG X 22 91.200 -2.931 -10.893 1.00 1.00 C ATOM 363 NH1 ARG X 22 90.064 -3.382 -10.436 1.00 1.00 N ATOM 364 NH2 ARG X 22 91.214 -2.053 -11.859 1.00 1.00 N ATOM 0 H ARG X 22 90.353 -7.968 -9.655 1.00 1.00 H new ATOM 0 HA ARG X 22 93.257 -8.305 -9.985 1.00 1.00 H new ATOM 0 HB2 ARG X 22 91.588 -6.650 -8.024 1.00 1.00 H new ATOM 0 HB3 ARG X 22 93.335 -6.605 -8.156 1.00 1.00 H new ATOM 0 HG2 ARG X 22 93.114 -5.920 -10.576 1.00 1.00 H new ATOM 0 HG3 ARG X 22 91.370 -5.915 -10.399 1.00 1.00 H new ATOM 0 HD2 ARG X 22 91.525 -4.184 -8.624 1.00 1.00 H new ATOM 0 HD3 ARG X 22 93.275 -4.229 -8.704 1.00 1.00 H new ATOM 0 HE ARG X 22 93.226 -3.006 -10.740 1.00 1.00 H new ATOM 0 HH11 ARG X 22 90.054 -4.069 -9.682 1.00 1.00 H new ATOM 0 HH12 ARG X 22 89.186 -3.048 -10.833 1.00 1.00 H new ATOM 0 HH21 ARG X 22 92.103 -1.702 -12.216 1.00 1.00 H new ATOM 0 HH22 ARG X 22 90.336 -1.718 -12.257 1.00 1.00 H new ATOM 378 N GLY X 23 91.502 -10.026 -8.004 1.00 1.00 N ATOM 379 CA GLY X 23 91.519 -11.042 -6.954 1.00 1.00 C ATOM 380 C GLY X 23 90.539 -10.713 -5.835 1.00 1.00 C ATOM 381 O GLY X 23 90.700 -11.174 -4.707 1.00 1.00 O ATOM 0 H GLY X 23 90.650 -10.007 -8.564 1.00 1.00 H new ATOM 0 HA2 GLY X 23 91.269 -12.012 -7.383 1.00 1.00 H new ATOM 0 HA3 GLY X 23 92.525 -11.124 -6.544 1.00 1.00 H new ATOM 385 N VAL X 24 89.524 -9.916 -6.148 1.00 1.00 N ATOM 386 CA VAL X 24 88.532 -9.551 -5.149 1.00 1.00 C ATOM 387 C VAL X 24 87.268 -10.399 -5.297 1.00 1.00 C ATOM 388 O VAL X 24 86.434 -10.147 -6.164 1.00 1.00 O ATOM 389 CB VAL X 24 88.175 -8.080 -5.311 1.00 1.00 C ATOM 390 CG1 VAL X 24 87.142 -7.680 -4.263 1.00 1.00 C ATOM 391 CG2 VAL X 24 89.433 -7.223 -5.130 1.00 1.00 C ATOM 0 H VAL X 24 89.369 -9.516 -7.073 1.00 1.00 H new ATOM 0 HA VAL X 24 88.953 -9.730 -4.160 1.00 1.00 H new ATOM 0 HB VAL X 24 87.762 -7.922 -6.307 1.00 1.00 H new ATOM 0 HG11 VAL X 24 86.890 -6.626 -4.384 1.00 1.00 H new ATOM 0 HG12 VAL X 24 86.244 -8.284 -4.388 1.00 1.00 H new ATOM 0 HG13 VAL X 24 87.553 -7.843 -3.267 1.00 1.00 H new ATOM 0 HG21 VAL X 24 89.176 -6.170 -5.246 1.00 1.00 H new ATOM 0 HG22 VAL X 24 89.846 -7.388 -4.135 1.00 1.00 H new ATOM 0 HG23 VAL X 24 90.173 -7.501 -5.880 1.00 1.00 H new ATOM 401 N LYS X 25 87.131 -11.399 -4.438 1.00 1.00 N ATOM 402 CA LYS X 25 85.964 -12.275 -4.485 1.00 1.00 C ATOM 403 C LYS X 25 84.971 -11.910 -3.388 1.00 1.00 C ATOM 404 O LYS X 25 85.128 -12.311 -2.237 1.00 1.00 O ATOM 405 CB LYS X 25 86.400 -13.728 -4.311 1.00 1.00 C ATOM 406 CG LYS X 25 87.183 -14.179 -5.546 1.00 1.00 C ATOM 407 CD LYS X 25 87.633 -15.631 -5.363 1.00 1.00 C ATOM 408 CE LYS X 25 88.431 -16.078 -6.590 1.00 1.00 C ATOM 409 NZ LYS X 25 87.591 -15.917 -7.810 1.00 1.00 N ATOM 0 H LYS X 25 87.805 -11.625 -3.706 1.00 1.00 H new ATOM 0 HA LYS X 25 85.479 -12.150 -5.453 1.00 1.00 H new ATOM 0 HB2 LYS X 25 87.018 -13.829 -3.419 1.00 1.00 H new ATOM 0 HB3 LYS X 25 85.528 -14.366 -4.168 1.00 1.00 H new ATOM 0 HG2 LYS X 25 86.561 -14.089 -6.437 1.00 1.00 H new ATOM 0 HG3 LYS X 25 88.049 -13.535 -5.696 1.00 1.00 H new ATOM 0 HD2 LYS X 25 88.245 -15.723 -4.465 1.00 1.00 H new ATOM 0 HD3 LYS X 25 86.766 -16.277 -5.225 1.00 1.00 H new ATOM 0 HE2 LYS X 25 89.342 -15.486 -6.681 1.00 1.00 H new ATOM 0 HE3 LYS X 25 88.737 -17.118 -6.480 1.00 1.00 H new ATOM 0 HZ1 LYS X 25 87.754 -16.719 -8.452 1.00 1.00 H new ATOM 0 HZ2 LYS X 25 86.587 -15.889 -7.539 1.00 1.00 H new ATOM 0 HZ3 LYS X 25 87.845 -15.031 -8.292 1.00 1.00 H new ATOM 423 N VAL X 26 83.948 -11.148 -3.757 1.00 1.00 N ATOM 424 CA VAL X 26 82.928 -10.727 -2.799 1.00 1.00 C ATOM 425 C VAL X 26 81.533 -10.900 -3.387 1.00 1.00 C ATOM 426 O VAL X 26 81.383 -11.085 -4.592 1.00 1.00 O ATOM 427 CB VAL X 26 83.138 -9.258 -2.422 1.00 1.00 C ATOM 428 CG1 VAL X 26 84.470 -9.093 -1.690 1.00 1.00 C ATOM 429 CG2 VAL X 26 83.149 -8.396 -3.690 1.00 1.00 C ATOM 0 H VAL X 26 83.801 -10.809 -4.708 1.00 1.00 H new ATOM 0 HA VAL X 26 83.018 -11.351 -1.910 1.00 1.00 H new ATOM 0 HB VAL X 26 82.325 -8.940 -1.770 1.00 1.00 H new ATOM 0 HG11 VAL X 26 84.612 -8.045 -1.425 1.00 1.00 H new ATOM 0 HG12 VAL X 26 84.465 -9.699 -0.784 1.00 1.00 H new ATOM 0 HG13 VAL X 26 85.284 -9.417 -2.338 1.00 1.00 H new ATOM 0 HG21 VAL X 26 83.299 -7.351 -3.418 1.00 1.00 H new ATOM 0 HG22 VAL X 26 83.959 -8.721 -4.344 1.00 1.00 H new ATOM 0 HG23 VAL X 26 82.197 -8.503 -4.211 1.00 1.00 H new ATOM 439 N LYS X 27 80.515 -10.852 -2.526 1.00 1.00 N ATOM 440 CA LYS X 27 79.142 -11.006 -2.977 1.00 1.00 C ATOM 441 C LYS X 27 78.502 -9.633 -3.190 1.00 1.00 C ATOM 442 O LYS X 27 78.945 -8.638 -2.618 1.00 1.00 O ATOM 443 CB LYS X 27 78.348 -11.777 -1.926 1.00 1.00 C ATOM 444 CG LYS X 27 79.108 -13.049 -1.545 1.00 1.00 C ATOM 445 CD LYS X 27 78.395 -13.728 -0.384 1.00 1.00 C ATOM 446 CE LYS X 27 79.223 -14.925 0.081 1.00 1.00 C ATOM 447 NZ LYS X 27 78.450 -15.710 1.089 1.00 1.00 N ATOM 0 H LYS X 27 80.620 -10.709 -1.522 1.00 1.00 H new ATOM 0 HA LYS X 27 79.135 -11.553 -3.920 1.00 1.00 H new ATOM 0 HB2 LYS X 27 78.192 -11.156 -1.044 1.00 1.00 H new ATOM 0 HB3 LYS X 27 77.362 -12.032 -2.314 1.00 1.00 H new ATOM 0 HG2 LYS X 27 79.163 -13.724 -2.399 1.00 1.00 H new ATOM 0 HG3 LYS X 27 80.133 -12.805 -1.266 1.00 1.00 H new ATOM 0 HD2 LYS X 27 78.258 -13.024 0.437 1.00 1.00 H new ATOM 0 HD3 LYS X 27 77.402 -14.055 -0.692 1.00 1.00 H new ATOM 0 HE2 LYS X 27 79.476 -15.557 -0.770 1.00 1.00 H new ATOM 0 HE3 LYS X 27 80.163 -14.583 0.515 1.00 1.00 H new ATOM 0 HZ1 LYS X 27 79.016 -16.524 1.404 1.00 1.00 H new ATOM 0 HZ2 LYS X 27 78.230 -15.105 1.906 1.00 1.00 H new ATOM 0 HZ3 LYS X 27 77.565 -16.049 0.661 1.00 1.00 H new ATOM 461 N TYR X 28 77.458 -9.589 -4.010 1.00 1.00 N ATOM 462 CA TYR X 28 76.765 -8.332 -4.286 1.00 1.00 C ATOM 463 C TYR X 28 76.218 -7.725 -3.007 1.00 1.00 C ATOM 464 O TYR X 28 76.311 -6.520 -2.791 1.00 1.00 O ATOM 465 CB TYR X 28 75.620 -8.576 -5.264 1.00 1.00 C ATOM 466 CG TYR X 28 76.161 -8.609 -6.670 1.00 1.00 C ATOM 467 CD1 TYR X 28 76.816 -9.751 -7.144 1.00 1.00 C ATOM 468 CD2 TYR X 28 76.004 -7.495 -7.505 1.00 1.00 C ATOM 469 CE1 TYR X 28 77.315 -9.781 -8.453 1.00 1.00 C ATOM 470 CE2 TYR X 28 76.503 -7.524 -8.812 1.00 1.00 C ATOM 471 CZ TYR X 28 77.158 -8.667 -9.286 1.00 1.00 C ATOM 472 OH TYR X 28 77.649 -8.696 -10.577 1.00 1.00 O ATOM 0 H TYR X 28 77.074 -10.401 -4.493 1.00 1.00 H new ATOM 0 HA TYR X 28 77.480 -7.636 -4.724 1.00 1.00 H new ATOM 0 HB2 TYR X 28 75.123 -9.518 -5.032 1.00 1.00 H new ATOM 0 HB3 TYR X 28 74.872 -7.789 -5.169 1.00 1.00 H new ATOM 0 HD1 TYR X 28 76.937 -10.610 -6.501 1.00 1.00 H new ATOM 0 HD2 TYR X 28 75.498 -6.614 -7.140 1.00 1.00 H new ATOM 0 HE1 TYR X 28 77.820 -10.663 -8.819 1.00 1.00 H new ATOM 0 HE2 TYR X 28 76.383 -6.665 -9.455 1.00 1.00 H new ATOM 0 HH TYR X 28 76.912 -8.566 -11.210 1.00 1.00 H new ATOM 482 N ALA X 29 75.653 -8.569 -2.159 1.00 1.00 N ATOM 483 CA ALA X 29 75.099 -8.107 -0.899 1.00 1.00 C ATOM 484 C ALA X 29 76.189 -7.529 -0.008 1.00 1.00 C ATOM 485 O ALA X 29 75.946 -6.596 0.744 1.00 1.00 O ATOM 486 CB ALA X 29 74.418 -9.263 -0.170 1.00 1.00 C ATOM 0 H ALA X 29 75.567 -9.573 -2.320 1.00 1.00 H new ATOM 0 HA ALA X 29 74.369 -7.328 -1.118 1.00 1.00 H new ATOM 0 HB1 ALA X 29 74.006 -8.906 0.774 1.00 1.00 H new ATOM 0 HB2 ALA X 29 73.614 -9.661 -0.790 1.00 1.00 H new ATOM 0 HB3 ALA X 29 75.147 -10.049 0.027 1.00 1.00 H new ATOM 492 N ASP X 30 77.387 -8.100 -0.077 1.00 1.00 N ATOM 493 CA ASP X 30 78.483 -7.624 0.766 1.00 1.00 C ATOM 494 C ASP X 30 78.803 -6.156 0.491 1.00 1.00 C ATOM 495 O ASP X 30 78.815 -5.330 1.406 1.00 1.00 O ATOM 496 CB ASP X 30 79.729 -8.468 0.492 1.00 1.00 C ATOM 497 CG ASP X 30 80.883 -8.000 1.373 1.00 1.00 C ATOM 498 OD1 ASP X 30 80.638 -7.204 2.265 1.00 1.00 O ATOM 499 OD2 ASP X 30 81.994 -8.450 1.146 1.00 1.00 O ATOM 0 H ASP X 30 77.624 -8.877 -0.694 1.00 1.00 H new ATOM 0 HA ASP X 30 78.177 -7.717 1.808 1.00 1.00 H new ATOM 0 HB2 ASP X 30 79.516 -9.519 0.687 1.00 1.00 H new ATOM 0 HB3 ASP X 30 80.008 -8.388 -0.559 1.00 1.00 H new ATOM 504 N LEU X 31 79.061 -5.835 -0.766 1.00 1.00 N ATOM 505 CA LEU X 31 79.372 -4.464 -1.143 1.00 1.00 C ATOM 506 C LEU X 31 78.127 -3.594 -1.144 1.00 1.00 C ATOM 507 O LEU X 31 78.172 -2.441 -0.726 1.00 1.00 O ATOM 508 CB LEU X 31 80.020 -4.428 -2.531 1.00 1.00 C ATOM 509 CG LEU X 31 81.515 -4.757 -2.434 1.00 1.00 C ATOM 510 CD1 LEU X 31 82.115 -4.892 -3.833 1.00 1.00 C ATOM 511 CD2 LEU X 31 82.249 -3.647 -1.672 1.00 1.00 C ATOM 0 H LEU X 31 79.062 -6.500 -1.539 1.00 1.00 H new ATOM 0 HA LEU X 31 80.069 -4.069 -0.404 1.00 1.00 H new ATOM 0 HB2 LEU X 31 79.526 -5.144 -3.188 1.00 1.00 H new ATOM 0 HB3 LEU X 31 79.887 -3.442 -2.976 1.00 1.00 H new ATOM 0 HG LEU X 31 81.630 -5.700 -1.900 1.00 1.00 H new ATOM 0 HD11 LEU X 31 83.177 -5.126 -3.753 1.00 1.00 H new ATOM 0 HD12 LEU X 31 81.607 -5.692 -4.371 1.00 1.00 H new ATOM 0 HD13 LEU X 31 81.990 -3.954 -4.375 1.00 1.00 H new ATOM 0 HD21 LEU X 31 83.310 -3.890 -1.608 1.00 1.00 H new ATOM 0 HD22 LEU X 31 82.124 -2.701 -2.198 1.00 1.00 H new ATOM 0 HD23 LEU X 31 81.836 -3.561 -0.667 1.00 1.00 H new ATOM 523 N LEU X 32 77.026 -4.139 -1.639 1.00 1.00 N ATOM 524 CA LEU X 32 75.791 -3.380 -1.718 1.00 1.00 C ATOM 525 C LEU X 32 75.329 -2.958 -0.324 1.00 1.00 C ATOM 526 O LEU X 32 74.961 -1.801 -0.100 1.00 1.00 O ATOM 527 CB LEU X 32 74.712 -4.242 -2.390 1.00 1.00 C ATOM 528 CG LEU X 32 73.442 -3.411 -2.610 1.00 1.00 C ATOM 529 CD1 LEU X 32 73.724 -2.300 -3.625 1.00 1.00 C ATOM 530 CD2 LEU X 32 72.324 -4.311 -3.138 1.00 1.00 C ATOM 0 H LEU X 32 76.964 -5.095 -1.989 1.00 1.00 H new ATOM 0 HA LEU X 32 75.963 -2.480 -2.308 1.00 1.00 H new ATOM 0 HB2 LEU X 32 75.079 -4.621 -3.344 1.00 1.00 H new ATOM 0 HB3 LEU X 32 74.487 -5.108 -1.768 1.00 1.00 H new ATOM 0 HG LEU X 32 73.134 -2.968 -1.663 1.00 1.00 H new ATOM 0 HD11 LEU X 32 72.820 -1.711 -3.780 1.00 1.00 H new ATOM 0 HD12 LEU X 32 74.517 -1.655 -3.247 1.00 1.00 H new ATOM 0 HD13 LEU X 32 74.035 -2.742 -4.571 1.00 1.00 H new ATOM 0 HD21 LEU X 32 71.423 -3.718 -3.294 1.00 1.00 H new ATOM 0 HD22 LEU X 32 72.632 -4.758 -4.083 1.00 1.00 H new ATOM 0 HD23 LEU X 32 72.119 -5.100 -2.414 1.00 1.00 H new ATOM 542 N LYS X 33 75.356 -3.896 0.612 1.00 1.00 N ATOM 543 CA LYS X 33 74.946 -3.603 1.975 1.00 1.00 C ATOM 544 C LYS X 33 75.990 -2.742 2.667 1.00 1.00 C ATOM 545 O LYS X 33 75.652 -1.836 3.434 1.00 1.00 O ATOM 546 CB LYS X 33 74.740 -4.900 2.756 1.00 1.00 C ATOM 547 CG LYS X 33 73.571 -5.678 2.139 1.00 1.00 C ATOM 548 CD LYS X 33 73.434 -7.032 2.831 1.00 1.00 C ATOM 549 CE LYS X 33 72.330 -7.840 2.151 1.00 1.00 C ATOM 550 NZ LYS X 33 71.006 -7.223 2.440 1.00 1.00 N ATOM 0 H LYS X 33 75.655 -4.858 0.453 1.00 1.00 H new ATOM 0 HA LYS X 33 74.004 -3.056 1.943 1.00 1.00 H new ATOM 0 HB2 LYS X 33 75.648 -5.503 2.730 1.00 1.00 H new ATOM 0 HB3 LYS X 33 74.534 -4.679 3.803 1.00 1.00 H new ATOM 0 HG2 LYS X 33 72.647 -5.109 2.244 1.00 1.00 H new ATOM 0 HG3 LYS X 33 73.738 -5.819 1.071 1.00 1.00 H new ATOM 0 HD2 LYS X 33 74.378 -7.574 2.784 1.00 1.00 H new ATOM 0 HD3 LYS X 33 73.200 -6.891 3.886 1.00 1.00 H new ATOM 0 HE2 LYS X 33 72.500 -7.872 1.075 1.00 1.00 H new ATOM 0 HE3 LYS X 33 72.348 -8.870 2.507 1.00 1.00 H new ATOM 0 HZ1 LYS X 33 70.249 -7.876 2.154 1.00 1.00 H new ATOM 0 HZ2 LYS X 33 70.929 -7.028 3.459 1.00 1.00 H new ATOM 0 HZ3 LYS X 33 70.914 -6.333 1.909 1.00 1.00 H new ATOM 564 N PHE X 34 77.263 -3.044 2.417 1.00 1.00 N ATOM 565 CA PHE X 34 78.326 -2.302 3.050 1.00 1.00 C ATOM 566 C PHE X 34 78.253 -0.825 2.677 1.00 1.00 C ATOM 567 O PHE X 34 78.399 0.056 3.532 1.00 1.00 O ATOM 568 CB PHE X 34 79.698 -2.880 2.662 1.00 1.00 C ATOM 569 CG PHE X 34 80.820 -1.993 3.201 1.00 1.00 C ATOM 570 CD1 PHE X 34 80.660 -1.292 4.402 1.00 1.00 C ATOM 571 CD2 PHE X 34 82.012 -1.877 2.476 1.00 1.00 C ATOM 572 CE1 PHE X 34 81.692 -0.475 4.878 1.00 1.00 C ATOM 573 CE2 PHE X 34 83.044 -1.060 2.952 1.00 1.00 C ATOM 574 CZ PHE X 34 82.884 -0.359 4.154 1.00 1.00 C ATOM 0 H PHE X 34 77.570 -3.787 1.789 1.00 1.00 H new ATOM 0 HA PHE X 34 78.202 -2.392 4.129 1.00 1.00 H new ATOM 0 HB2 PHE X 34 79.800 -3.890 3.060 1.00 1.00 H new ATOM 0 HB3 PHE X 34 79.775 -2.956 1.577 1.00 1.00 H new ATOM 0 HD1 PHE X 34 79.740 -1.382 4.961 1.00 1.00 H new ATOM 0 HD2 PHE X 34 82.135 -2.418 1.549 1.00 1.00 H new ATOM 0 HE1 PHE X 34 81.568 0.066 5.804 1.00 1.00 H new ATOM 0 HE2 PHE X 34 83.963 -0.970 2.393 1.00 1.00 H new ATOM 0 HZ PHE X 34 83.680 0.271 4.522 1.00 1.00 H new ATOM 584 N PHE X 35 78.026 -0.563 1.398 1.00 1.00 N ATOM 585 CA PHE X 35 77.934 0.806 0.920 1.00 1.00 C ATOM 586 C PHE X 35 76.743 1.505 1.555 1.00 1.00 C ATOM 587 O PHE X 35 76.789 2.699 1.841 1.00 1.00 O ATOM 588 CB PHE X 35 77.791 0.829 -0.606 1.00 1.00 C ATOM 589 CG PHE X 35 79.032 1.422 -1.238 1.00 1.00 C ATOM 590 CD1 PHE X 35 79.444 2.711 -0.878 1.00 1.00 C ATOM 591 CD2 PHE X 35 79.769 0.689 -2.176 1.00 1.00 C ATOM 592 CE1 PHE X 35 80.592 3.266 -1.455 1.00 1.00 C ATOM 593 CE2 PHE X 35 80.917 1.245 -2.753 1.00 1.00 C ATOM 594 CZ PHE X 35 81.328 2.533 -2.394 1.00 1.00 C ATOM 0 H PHE X 35 77.903 -1.275 0.678 1.00 1.00 H new ATOM 0 HA PHE X 35 78.848 1.331 1.199 1.00 1.00 H new ATOM 0 HB2 PHE X 35 77.632 -0.183 -0.979 1.00 1.00 H new ATOM 0 HB3 PHE X 35 76.915 1.414 -0.888 1.00 1.00 H new ATOM 0 HD1 PHE X 35 78.876 3.277 -0.155 1.00 1.00 H new ATOM 0 HD2 PHE X 35 79.452 -0.305 -2.454 1.00 1.00 H new ATOM 0 HE1 PHE X 35 80.910 4.260 -1.176 1.00 1.00 H new ATOM 0 HE2 PHE X 35 81.486 0.679 -3.476 1.00 1.00 H new ATOM 0 HZ PHE X 35 82.213 2.962 -2.841 1.00 1.00 H new ATOM 604 N ASP X 36 75.683 0.742 1.794 1.00 1.00 N ATOM 605 CA ASP X 36 74.487 1.300 2.405 1.00 1.00 C ATOM 606 C ASP X 36 74.779 1.709 3.845 1.00 1.00 C ATOM 607 O ASP X 36 74.203 2.667 4.355 1.00 1.00 O ATOM 608 CB ASP X 36 73.344 0.279 2.378 1.00 1.00 C ATOM 609 CG ASP X 36 72.612 0.341 1.034 1.00 1.00 C ATOM 610 OD1 ASP X 36 72.972 1.183 0.228 1.00 1.00 O ATOM 611 OD2 ASP X 36 71.706 -0.453 0.834 1.00 1.00 O ATOM 0 H ASP X 36 75.628 -0.253 1.576 1.00 1.00 H new ATOM 0 HA ASP X 36 74.185 2.179 1.835 1.00 1.00 H new ATOM 0 HB2 ASP X 36 73.739 -0.724 2.540 1.00 1.00 H new ATOM 0 HB3 ASP X 36 72.646 0.482 3.190 1.00 1.00 H new ATOM 616 N PHE X 37 75.671 0.972 4.501 1.00 1.00 N ATOM 617 CA PHE X 37 76.008 1.269 5.893 1.00 1.00 C ATOM 618 C PHE X 37 76.668 2.649 6.024 1.00 1.00 C ATOM 619 O PHE X 37 76.218 3.514 6.799 1.00 1.00 O ATOM 620 CB PHE X 37 76.981 0.191 6.406 1.00 1.00 C ATOM 621 CG PHE X 37 77.115 0.291 7.907 1.00 1.00 C ATOM 622 CD1 PHE X 37 77.879 1.319 8.473 1.00 1.00 C ATOM 623 CD2 PHE X 37 76.466 -0.635 8.733 1.00 1.00 C ATOM 624 CE1 PHE X 37 77.992 1.422 9.865 1.00 1.00 C ATOM 625 CE2 PHE X 37 76.579 -0.531 10.124 1.00 1.00 C ATOM 626 CZ PHE X 37 77.343 0.496 10.690 1.00 1.00 C ATOM 0 H PHE X 37 76.168 0.176 4.100 1.00 1.00 H new ATOM 0 HA PHE X 37 75.091 1.274 6.482 1.00 1.00 H new ATOM 0 HB2 PHE X 37 76.619 -0.799 6.130 1.00 1.00 H new ATOM 0 HB3 PHE X 37 77.957 0.316 5.936 1.00 1.00 H new ATOM 0 HD1 PHE X 37 78.381 2.032 7.836 1.00 1.00 H new ATOM 0 HD2 PHE X 37 75.878 -1.429 8.297 1.00 1.00 H new ATOM 0 HE1 PHE X 37 78.580 2.216 10.302 1.00 1.00 H new ATOM 0 HE2 PHE X 37 76.076 -1.244 10.761 1.00 1.00 H new ATOM 0 HZ PHE X 37 77.432 0.574 11.764 1.00 1.00 H new ATOM 636 N VAL X 38 77.729 2.860 5.251 1.00 1.00 N ATOM 637 CA VAL X 38 78.443 4.135 5.293 1.00 1.00 C ATOM 638 C VAL X 38 77.608 5.225 4.642 1.00 1.00 C ATOM 639 O VAL X 38 77.645 6.373 5.058 1.00 1.00 O ATOM 640 CB VAL X 38 79.793 4.031 4.583 1.00 1.00 C ATOM 641 CG1 VAL X 38 79.565 3.879 3.081 1.00 1.00 C ATOM 642 CG2 VAL X 38 80.629 5.298 4.856 1.00 1.00 C ATOM 0 H VAL X 38 78.110 2.177 4.597 1.00 1.00 H new ATOM 0 HA VAL X 38 78.619 4.388 6.339 1.00 1.00 H new ATOM 0 HB VAL X 38 80.332 3.162 4.960 1.00 1.00 H new ATOM 0 HG11 VAL X 38 80.526 3.805 2.573 1.00 1.00 H new ATOM 0 HG12 VAL X 38 78.983 2.977 2.891 1.00 1.00 H new ATOM 0 HG13 VAL X 38 79.022 4.747 2.706 1.00 1.00 H new ATOM 0 HG21 VAL X 38 81.589 5.217 4.347 1.00 1.00 H new ATOM 0 HG22 VAL X 38 80.095 6.173 4.486 1.00 1.00 H new ATOM 0 HG23 VAL X 38 80.794 5.401 5.928 1.00 1.00 H new ATOM 652 N LYS X 39 76.858 4.855 3.618 1.00 1.00 N ATOM 653 CA LYS X 39 76.010 5.820 2.919 1.00 1.00 C ATOM 654 C LYS X 39 74.908 6.337 3.839 1.00 1.00 C ATOM 655 O LYS X 39 74.515 7.504 3.760 1.00 1.00 O ATOM 656 CB LYS X 39 75.390 5.179 1.682 1.00 1.00 C ATOM 657 CG LYS X 39 76.455 5.002 0.595 1.00 1.00 C ATOM 658 CD LYS X 39 76.513 6.259 -0.279 1.00 1.00 C ATOM 659 CE LYS X 39 77.567 6.075 -1.372 1.00 1.00 C ATOM 660 NZ LYS X 39 77.619 7.300 -2.218 1.00 1.00 N ATOM 0 H LYS X 39 76.815 3.904 3.251 1.00 1.00 H new ATOM 0 HA LYS X 39 76.633 6.661 2.613 1.00 1.00 H new ATOM 0 HB2 LYS X 39 74.958 4.212 1.941 1.00 1.00 H new ATOM 0 HB3 LYS X 39 74.577 5.801 1.308 1.00 1.00 H new ATOM 0 HG2 LYS X 39 77.428 4.819 1.051 1.00 1.00 H new ATOM 0 HG3 LYS X 39 76.222 4.131 -0.018 1.00 1.00 H new ATOM 0 HD2 LYS X 39 75.538 6.447 -0.728 1.00 1.00 H new ATOM 0 HD3 LYS X 39 76.756 7.128 0.332 1.00 1.00 H new ATOM 0 HE2 LYS X 39 78.543 5.887 -0.924 1.00 1.00 H new ATOM 0 HE3 LYS X 39 77.325 5.206 -1.984 1.00 1.00 H new ATOM 0 HZ1 LYS X 39 78.335 7.178 -2.962 1.00 1.00 H new ATOM 0 HZ2 LYS X 39 76.689 7.460 -2.655 1.00 1.00 H new ATOM 0 HZ3 LYS X 39 77.869 8.119 -1.628 1.00 1.00 H new ATOM 674 N ASP X 40 74.407 5.462 4.705 1.00 1.00 N ATOM 675 CA ASP X 40 73.349 5.841 5.630 1.00 1.00 C ATOM 676 C ASP X 40 73.820 6.958 6.549 1.00 1.00 C ATOM 677 O ASP X 40 73.129 7.963 6.720 1.00 1.00 O ATOM 678 CB ASP X 40 72.937 4.634 6.480 1.00 1.00 C ATOM 679 CG ASP X 40 72.138 3.646 5.637 1.00 1.00 C ATOM 680 OD1 ASP X 40 71.796 3.993 4.518 1.00 1.00 O ATOM 681 OD2 ASP X 40 71.885 2.554 6.118 1.00 1.00 O ATOM 0 H ASP X 40 74.715 4.493 4.784 1.00 1.00 H new ATOM 0 HA ASP X 40 72.496 6.190 5.048 1.00 1.00 H new ATOM 0 HB2 ASP X 40 73.823 4.145 6.884 1.00 1.00 H new ATOM 0 HB3 ASP X 40 72.340 4.965 7.330 1.00 1.00 H new ATOM 836 N ILE X 51 94.463 7.439 0.504 1.00 1.00 N ATOM 837 CA ILE X 51 93.394 6.757 -0.213 1.00 1.00 C ATOM 838 C ILE X 51 92.042 7.211 0.319 1.00 1.00 C ATOM 839 O ILE X 51 91.793 7.156 1.515 1.00 1.00 O ATOM 840 CB ILE X 51 93.539 5.242 -0.028 1.00 1.00 C ATOM 841 CG1 ILE X 51 94.705 4.721 -0.868 1.00 1.00 C ATOM 842 CG2 ILE X 51 92.252 4.548 -0.476 1.00 1.00 C ATOM 843 CD1 ILE X 51 95.478 3.658 -0.087 1.00 1.00 C ATOM 0 HA ILE X 51 93.460 7.001 -1.273 1.00 1.00 H new ATOM 0 HB ILE X 51 93.728 5.031 1.024 1.00 1.00 H new ATOM 0 HG12 ILE X 51 94.332 4.299 -1.801 1.00 1.00 H new ATOM 0 HG13 ILE X 51 95.369 5.544 -1.133 1.00 1.00 H new ATOM 0 HG21 ILE X 51 92.355 3.471 -0.345 1.00 1.00 H new ATOM 0 HG22 ILE X 51 91.416 4.909 0.124 1.00 1.00 H new ATOM 0 HG23 ILE X 51 92.066 4.769 -1.527 1.00 1.00 H new ATOM 0 HD11 ILE X 51 96.307 3.292 -0.693 1.00 1.00 H new ATOM 0 HD12 ILE X 51 95.866 4.093 0.834 1.00 1.00 H new ATOM 0 HD13 ILE X 51 94.813 2.829 0.156 1.00 1.00 H new ATOM 855 N ASP X 52 91.181 7.673 -0.580 1.00 1.00 N ATOM 856 CA ASP X 52 89.857 8.156 -0.185 1.00 1.00 C ATOM 857 C ASP X 52 89.017 7.036 0.417 1.00 1.00 C ATOM 858 O ASP X 52 88.235 7.260 1.341 1.00 1.00 O ATOM 859 CB ASP X 52 89.142 8.743 -1.397 1.00 1.00 C ATOM 860 CG ASP X 52 87.960 9.590 -0.942 1.00 1.00 C ATOM 861 OD1 ASP X 52 87.381 9.265 0.082 1.00 1.00 O ATOM 862 OD2 ASP X 52 87.650 10.551 -1.625 1.00 1.00 O ATOM 0 H ASP X 52 91.371 7.725 -1.581 1.00 1.00 H new ATOM 0 HA ASP X 52 89.988 8.927 0.574 1.00 1.00 H new ATOM 0 HB2 ASP X 52 89.834 9.352 -1.979 1.00 1.00 H new ATOM 0 HB3 ASP X 52 88.796 7.941 -2.050 1.00 1.00 H new ATOM 867 N ILE X 53 89.188 5.834 -0.108 1.00 1.00 N ATOM 868 CA ILE X 53 88.457 4.682 0.390 1.00 1.00 C ATOM 869 C ILE X 53 88.919 4.307 1.792 1.00 1.00 C ATOM 870 O ILE X 53 88.231 3.595 2.507 1.00 1.00 O ATOM 871 CB ILE X 53 88.652 3.495 -0.557 1.00 1.00 C ATOM 872 CG1 ILE X 53 87.771 3.687 -1.780 1.00 1.00 C ATOM 873 CG2 ILE X 53 88.245 2.206 0.128 1.00 1.00 C ATOM 874 CD1 ILE X 53 88.218 2.758 -2.900 1.00 1.00 C ATOM 0 H ILE X 53 89.826 5.631 -0.878 1.00 1.00 H new ATOM 0 HA ILE X 53 87.399 4.941 0.436 1.00 1.00 H new ATOM 0 HB ILE X 53 89.702 3.440 -0.843 1.00 1.00 H new ATOM 0 HG12 ILE X 53 86.731 3.485 -1.523 1.00 1.00 H new ATOM 0 HG13 ILE X 53 87.822 4.723 -2.115 1.00 1.00 H new ATOM 0 HG21 ILE X 53 88.388 1.370 -0.556 1.00 1.00 H new ATOM 0 HG22 ILE X 53 88.858 2.057 1.017 1.00 1.00 H new ATOM 0 HG23 ILE X 53 87.195 2.263 0.416 1.00 1.00 H new ATOM 0 HD11 ILE X 53 87.579 2.905 -3.771 1.00 1.00 H new ATOM 0 HD12 ILE X 53 89.251 2.980 -3.166 1.00 1.00 H new ATOM 0 HD13 ILE X 53 88.144 1.723 -2.566 1.00 1.00 H new ATOM 886 N LYS X 54 90.097 4.777 2.178 1.00 1.00 N ATOM 887 CA LYS X 54 90.643 4.440 3.488 1.00 1.00 C ATOM 888 C LYS X 54 89.631 4.707 4.588 1.00 1.00 C ATOM 889 O LYS X 54 89.414 3.864 5.459 1.00 1.00 O ATOM 890 CB LYS X 54 91.897 5.272 3.751 1.00 1.00 C ATOM 891 CG LYS X 54 92.762 4.600 4.814 1.00 1.00 C ATOM 892 CD LYS X 54 94.081 5.368 4.957 1.00 1.00 C ATOM 893 CE LYS X 54 94.953 4.678 6.005 1.00 1.00 C ATOM 894 NZ LYS X 54 96.245 5.405 6.141 1.00 1.00 N ATOM 0 H LYS X 54 90.688 5.386 1.612 1.00 1.00 H new ATOM 0 HA LYS X 54 90.889 3.378 3.490 1.00 1.00 H new ATOM 0 HB2 LYS X 54 92.466 5.387 2.828 1.00 1.00 H new ATOM 0 HB3 LYS X 54 91.616 6.273 4.079 1.00 1.00 H new ATOM 0 HG2 LYS X 54 92.235 4.580 5.768 1.00 1.00 H new ATOM 0 HG3 LYS X 54 92.959 3.565 4.537 1.00 1.00 H new ATOM 0 HD2 LYS X 54 94.601 5.403 4.000 1.00 1.00 H new ATOM 0 HD3 LYS X 54 93.885 6.399 5.251 1.00 1.00 H new ATOM 0 HE2 LYS X 54 94.435 4.654 6.964 1.00 1.00 H new ATOM 0 HE3 LYS X 54 95.136 3.643 5.716 1.00 1.00 H new ATOM 0 HZ1 LYS X 54 96.836 4.933 6.855 1.00 1.00 H new ATOM 0 HZ2 LYS X 54 96.741 5.406 5.227 1.00 1.00 H new ATOM 0 HZ3 LYS X 54 96.062 6.385 6.436 1.00 1.00 H new ATOM 908 N ARG X 55 89.010 5.872 4.547 1.00 1.00 N ATOM 909 CA ARG X 55 88.017 6.221 5.544 1.00 1.00 C ATOM 910 C ARG X 55 86.812 5.295 5.458 1.00 1.00 C ATOM 911 O ARG X 55 86.222 4.944 6.479 1.00 1.00 O ATOM 912 CB ARG X 55 87.560 7.667 5.361 1.00 1.00 C ATOM 913 CG ARG X 55 88.652 8.611 5.861 1.00 1.00 C ATOM 914 CD ARG X 55 88.192 10.061 5.692 1.00 1.00 C ATOM 915 NE ARG X 55 89.177 10.976 6.259 1.00 1.00 N ATOM 916 CZ ARG X 55 89.139 11.307 7.546 1.00 1.00 C ATOM 917 NH1 ARG X 55 88.206 10.819 8.318 1.00 1.00 N ATOM 918 NH2 ARG X 55 90.032 12.122 8.037 1.00 1.00 N ATOM 0 H ARG X 55 89.175 6.587 3.839 1.00 1.00 H new ATOM 0 HA ARG X 55 88.478 6.110 6.525 1.00 1.00 H new ATOM 0 HB2 ARG X 55 87.348 7.863 4.310 1.00 1.00 H new ATOM 0 HB3 ARG X 55 86.635 7.840 5.911 1.00 1.00 H new ATOM 0 HG2 ARG X 55 88.871 8.408 6.909 1.00 1.00 H new ATOM 0 HG3 ARG X 55 89.574 8.444 5.305 1.00 1.00 H new ATOM 0 HD2 ARG X 55 88.047 10.282 4.635 1.00 1.00 H new ATOM 0 HD3 ARG X 55 87.229 10.203 6.183 1.00 1.00 H new ATOM 0 HE ARG X 55 89.904 11.367 5.660 1.00 1.00 H new ATOM 0 HH11 ARG X 55 87.506 10.184 7.934 1.00 1.00 H new ATOM 0 HH12 ARG X 55 88.177 11.073 9.305 1.00 1.00 H new ATOM 0 HH21 ARG X 55 90.759 12.505 7.433 1.00 1.00 H new ATOM 0 HH22 ARG X 55 90.003 12.376 9.024 1.00 1.00 H new ATOM 932 N TRP X 56 86.427 4.918 4.240 1.00 1.00 N ATOM 933 CA TRP X 56 85.274 4.063 4.074 1.00 1.00 C ATOM 934 C TRP X 56 85.490 2.705 4.746 1.00 1.00 C ATOM 935 O TRP X 56 84.617 2.197 5.451 1.00 1.00 O ATOM 936 CB TRP X 56 84.998 3.864 2.578 1.00 1.00 C ATOM 937 CG TRP X 56 83.865 2.898 2.380 1.00 1.00 C ATOM 938 CD1 TRP X 56 82.875 2.675 3.274 1.00 1.00 C ATOM 939 CD2 TRP X 56 83.589 2.034 1.239 1.00 1.00 C ATOM 940 NE1 TRP X 56 82.010 1.730 2.756 1.00 1.00 N ATOM 941 CE2 TRP X 56 82.407 1.303 1.504 1.00 1.00 C ATOM 942 CE3 TRP X 56 84.243 1.815 0.013 1.00 1.00 C ATOM 943 CZ2 TRP X 56 81.892 0.387 0.586 1.00 1.00 C ATOM 944 CZ3 TRP X 56 83.728 0.895 -0.913 1.00 1.00 C ATOM 945 CH2 TRP X 56 82.554 0.182 -0.627 1.00 1.00 C ATOM 0 H TRP X 56 86.892 5.190 3.374 1.00 1.00 H new ATOM 0 HA TRP X 56 84.418 4.543 4.549 1.00 1.00 H new ATOM 0 HB2 TRP X 56 84.754 4.821 2.116 1.00 1.00 H new ATOM 0 HB3 TRP X 56 85.894 3.490 2.083 1.00 1.00 H new ATOM 0 HD1 TRP X 56 82.777 3.157 4.236 1.00 1.00 H new ATOM 0 HE1 TRP X 56 81.179 1.389 3.240 1.00 1.00 H new ATOM 0 HE3 TRP X 56 85.147 2.359 -0.217 1.00 1.00 H new ATOM 0 HZ2 TRP X 56 80.988 -0.160 0.812 1.00 1.00 H new ATOM 0 HZ3 TRP X 56 84.238 0.735 -1.851 1.00 1.00 H new ATOM 0 HH2 TRP X 56 82.162 -0.525 -1.344 1.00 1.00 H new ATOM 956 N ARG X 57 86.656 2.118 4.504 1.00 1.00 N ATOM 957 CA ARG X 57 86.987 0.811 5.067 1.00 1.00 C ATOM 958 C ARG X 57 87.200 0.918 6.564 1.00 1.00 C ATOM 959 O ARG X 57 86.801 0.041 7.317 1.00 1.00 O ATOM 960 CB ARG X 57 88.255 0.258 4.413 1.00 1.00 C ATOM 961 CG ARG X 57 88.162 0.423 2.894 1.00 1.00 C ATOM 962 CD ARG X 57 87.104 -0.491 2.307 1.00 1.00 C ATOM 963 NE ARG X 57 87.157 -0.488 0.853 1.00 1.00 N ATOM 964 CZ ARG X 57 86.296 -1.200 0.133 1.00 1.00 C ATOM 965 NH1 ARG X 57 85.386 -1.920 0.729 1.00 1.00 N ATOM 966 NH2 ARG X 57 86.361 -1.178 -1.170 1.00 1.00 N ATOM 0 H ARG X 57 87.389 2.524 3.922 1.00 1.00 H new ATOM 0 HA ARG X 57 86.155 0.135 4.871 1.00 1.00 H new ATOM 0 HB2 ARG X 57 89.131 0.783 4.793 1.00 1.00 H new ATOM 0 HB3 ARG X 57 88.379 -0.795 4.668 1.00 1.00 H new ATOM 0 HG2 ARG X 57 87.926 1.459 2.652 1.00 1.00 H new ATOM 0 HG3 ARG X 57 89.129 0.202 2.442 1.00 1.00 H new ATOM 0 HD2 ARG X 57 87.250 -1.506 2.677 1.00 1.00 H new ATOM 0 HD3 ARG X 57 86.117 -0.170 2.639 1.00 1.00 H new ATOM 0 HE ARG X 57 87.867 0.070 0.378 1.00 1.00 H new ATOM 0 HH11 ARG X 57 85.335 -1.937 1.748 1.00 1.00 H new ATOM 0 HH12 ARG X 57 84.725 -2.466 0.176 1.00 1.00 H new ATOM 0 HH21 ARG X 57 87.072 -0.615 -1.636 1.00 1.00 H new ATOM 0 HH22 ARG X 57 85.700 -1.724 -1.723 1.00 1.00 H new ATOM 980 N ARG X 58 87.826 2.000 6.986 1.00 1.00 N ATOM 981 CA ARG X 58 88.083 2.215 8.412 1.00 1.00 C ATOM 982 C ARG X 58 86.786 2.151 9.210 1.00 1.00 C ATOM 983 O ARG X 58 86.730 1.525 10.269 1.00 1.00 O ATOM 984 CB ARG X 58 88.758 3.573 8.639 1.00 1.00 C ATOM 985 CG ARG X 58 90.267 3.449 8.419 1.00 1.00 C ATOM 986 CD ARG X 58 90.926 4.816 8.617 1.00 1.00 C ATOM 987 NE ARG X 58 92.379 4.690 8.542 1.00 1.00 N ATOM 988 CZ ARG X 58 93.111 4.478 9.631 1.00 1.00 C ATOM 989 NH1 ARG X 58 92.533 4.382 10.797 1.00 1.00 N ATOM 990 NH2 ARG X 58 94.408 4.364 9.534 1.00 1.00 N ATOM 0 H ARG X 58 88.166 2.742 6.375 1.00 1.00 H new ATOM 0 HA ARG X 58 88.749 1.423 8.755 1.00 1.00 H new ATOM 0 HB2 ARG X 58 88.342 4.314 7.956 1.00 1.00 H new ATOM 0 HB3 ARG X 58 88.557 3.924 9.651 1.00 1.00 H new ATOM 0 HG2 ARG X 58 90.689 2.726 9.117 1.00 1.00 H new ATOM 0 HG3 ARG X 58 90.469 3.078 7.414 1.00 1.00 H new ATOM 0 HD2 ARG X 58 90.574 5.511 7.855 1.00 1.00 H new ATOM 0 HD3 ARG X 58 90.639 5.230 9.584 1.00 1.00 H new ATOM 0 HE ARG X 58 92.841 4.766 7.636 1.00 1.00 H new ATOM 0 HH11 ARG X 58 91.520 4.470 10.873 1.00 1.00 H new ATOM 0 HH12 ARG X 58 93.095 4.219 11.633 1.00 1.00 H new ATOM 0 HH21 ARG X 58 94.860 4.438 8.622 1.00 1.00 H new ATOM 0 HH22 ARG X 58 94.970 4.201 10.370 1.00 1.00 H new ATOM 1004 N VAL X 59 85.746 2.781 8.692 1.00 1.00 N ATOM 1005 CA VAL X 59 84.447 2.775 9.357 1.00 1.00 C ATOM 1006 C VAL X 59 83.894 1.363 9.400 1.00 1.00 C ATOM 1007 O VAL X 59 83.350 0.930 10.415 1.00 1.00 O ATOM 1008 CB VAL X 59 83.480 3.697 8.609 1.00 1.00 C ATOM 1009 CG1 VAL X 59 82.109 3.661 9.280 1.00 1.00 C ATOM 1010 CG2 VAL X 59 84.018 5.127 8.637 1.00 1.00 C ATOM 0 H VAL X 59 85.771 3.303 7.816 1.00 1.00 H new ATOM 0 HA VAL X 59 84.565 3.137 10.378 1.00 1.00 H new ATOM 0 HB VAL X 59 83.387 3.359 7.577 1.00 1.00 H new ATOM 0 HG11 VAL X 59 81.424 4.319 8.744 1.00 1.00 H new ATOM 0 HG12 VAL X 59 81.722 2.642 9.262 1.00 1.00 H new ATOM 0 HG13 VAL X 59 82.201 3.997 10.313 1.00 1.00 H new ATOM 0 HG21 VAL X 59 83.331 5.785 8.105 1.00 1.00 H new ATOM 0 HG22 VAL X 59 84.112 5.460 9.671 1.00 1.00 H new ATOM 0 HG23 VAL X 59 84.995 5.158 8.156 1.00 1.00 H new ATOM 1020 N GLY X 60 84.037 0.647 8.293 1.00 1.00 N ATOM 1021 CA GLY X 60 83.548 -0.719 8.224 1.00 1.00 C ATOM 1022 C GLY X 60 84.344 -1.633 9.149 1.00 1.00 C ATOM 1023 O GLY X 60 83.785 -2.369 9.931 1.00 1.00 O ATOM 0 H GLY X 60 84.483 0.986 7.441 1.00 1.00 H new ATOM 0 HA2 GLY X 60 82.494 -0.746 8.500 1.00 1.00 H new ATOM 0 HA3 GLY X 60 83.619 -1.083 7.199 1.00 1.00 H new ATOM 1027 N ASP X 61 85.656 -1.567 9.073 1.00 1.00 N ATOM 1028 CA ASP X 61 86.491 -2.410 9.920 1.00 1.00 C ATOM 1029 C ASP X 61 86.071 -2.287 11.381 1.00 1.00 C ATOM 1030 O ASP X 61 86.014 -3.281 12.112 1.00 1.00 O ATOM 1031 CB ASP X 61 87.952 -1.991 9.771 1.00 1.00 C ATOM 1032 CG ASP X 61 88.465 -2.376 8.387 1.00 1.00 C ATOM 1033 OD1 ASP X 61 87.794 -3.148 7.722 1.00 1.00 O ATOM 1034 OD2 ASP X 61 89.519 -1.891 8.012 1.00 1.00 O ATOM 0 H ASP X 61 86.168 -0.949 8.444 1.00 1.00 H new ATOM 0 HA ASP X 61 86.370 -3.448 9.609 1.00 1.00 H new ATOM 0 HB2 ASP X 61 88.047 -0.915 9.917 1.00 1.00 H new ATOM 0 HB3 ASP X 61 88.557 -2.472 10.539 1.00 1.00 H new ATOM 1039 N CYS X 62 85.775 -1.067 11.804 1.00 1.00 N ATOM 1040 CA CYS X 62 85.365 -0.838 13.190 1.00 1.00 C ATOM 1041 C CYS X 62 83.952 -1.375 13.434 1.00 1.00 C ATOM 1042 O CYS X 62 83.718 -2.200 14.330 1.00 1.00 O ATOM 1043 CB CYS X 62 85.406 0.661 13.497 1.00 1.00 C ATOM 1044 SG CYS X 62 83.836 1.179 14.237 1.00 1.00 S ATOM 0 H CYS X 62 85.809 -0.230 11.222 1.00 1.00 H new ATOM 0 HA CYS X 62 86.055 -1.367 13.848 1.00 1.00 H new ATOM 0 HB2 CYS X 62 86.229 0.880 14.177 1.00 1.00 H new ATOM 0 HB3 CYS X 62 85.591 1.224 12.582 1.00 1.00 H new ATOM 0 HG CYS X 62 83.878 2.452 14.497 1.00 1.00 H new ATOM 1050 N PHE X 63 83.006 -0.896 12.639 1.00 1.00 N ATOM 1051 CA PHE X 63 81.630 -1.324 12.789 1.00 1.00 C ATOM 1052 C PHE X 63 81.486 -2.817 12.536 1.00 1.00 C ATOM 1053 O PHE X 63 80.864 -3.517 13.313 1.00 1.00 O ATOM 1054 CB PHE X 63 80.721 -0.555 11.833 1.00 1.00 C ATOM 1055 CG PHE X 63 80.122 0.633 12.554 1.00 1.00 C ATOM 1056 CD1 PHE X 63 79.247 0.433 13.629 1.00 1.00 C ATOM 1057 CD2 PHE X 63 80.437 1.933 12.142 1.00 1.00 C ATOM 1058 CE1 PHE X 63 78.689 1.532 14.292 1.00 1.00 C ATOM 1059 CE2 PHE X 63 79.879 3.033 12.805 1.00 1.00 C ATOM 1060 CZ PHE X 63 79.005 2.832 13.880 1.00 1.00 C ATOM 0 H PHE X 63 83.166 -0.219 11.893 1.00 1.00 H new ATOM 0 HA PHE X 63 81.332 -1.115 13.816 1.00 1.00 H new ATOM 0 HB2 PHE X 63 81.289 -0.219 10.965 1.00 1.00 H new ATOM 0 HB3 PHE X 63 79.929 -1.207 11.463 1.00 1.00 H new ATOM 0 HD1 PHE X 63 79.003 -0.570 13.947 1.00 1.00 H new ATOM 0 HD2 PHE X 63 81.111 2.088 11.312 1.00 1.00 H new ATOM 0 HE1 PHE X 63 78.015 1.377 15.121 1.00 1.00 H new ATOM 0 HE2 PHE X 63 80.123 4.036 12.487 1.00 1.00 H new ATOM 0 HZ PHE X 63 78.574 3.680 14.392 1.00 1.00 H new ATOM 1070 N GLN X 64 82.079 -3.287 11.451 1.00 1.00 N ATOM 1071 CA GLN X 64 82.020 -4.698 11.085 1.00 1.00 C ATOM 1072 C GLN X 64 82.456 -5.574 12.248 1.00 1.00 C ATOM 1073 O GLN X 64 81.900 -6.649 12.461 1.00 1.00 O ATOM 1074 CB GLN X 64 82.942 -4.966 9.890 1.00 1.00 C ATOM 1075 CG GLN X 64 82.430 -4.221 8.641 1.00 1.00 C ATOM 1076 CD GLN X 64 83.570 -3.964 7.663 1.00 1.00 C ATOM 1077 OE1 GLN X 64 84.717 -4.321 7.935 1.00 1.00 O ATOM 1078 NE2 GLN X 64 83.324 -3.352 6.538 1.00 1.00 N ATOM 0 H GLN X 64 82.612 -2.709 10.801 1.00 1.00 H new ATOM 0 HA GLN X 64 80.990 -4.938 10.823 1.00 1.00 H new ATOM 0 HB2 GLN X 64 83.956 -4.642 10.125 1.00 1.00 H new ATOM 0 HB3 GLN X 64 82.987 -6.037 9.690 1.00 1.00 H new ATOM 0 HG2 GLN X 64 81.652 -4.809 8.154 1.00 1.00 H new ATOM 0 HG3 GLN X 64 81.977 -3.275 8.936 1.00 1.00 H new ATOM 0 HE21 GLN X 64 82.373 -3.057 6.315 1.00 1.00 H new ATOM 0 HE22 GLN X 64 84.082 -3.168 5.881 1.00 1.00 H new ATOM 1087 N ASP X 65 83.451 -5.118 12.999 1.00 1.00 N ATOM 1088 CA ASP X 65 83.936 -5.893 14.135 1.00 1.00 C ATOM 1089 C ASP X 65 82.815 -6.086 15.151 1.00 1.00 C ATOM 1090 O ASP X 65 82.587 -7.195 15.635 1.00 1.00 O ATOM 1091 CB ASP X 65 85.104 -5.169 14.799 1.00 1.00 C ATOM 1092 CG ASP X 65 86.334 -5.233 13.900 1.00 1.00 C ATOM 1093 OD1 ASP X 65 86.303 -5.983 12.938 1.00 1.00 O ATOM 1094 OD2 ASP X 65 87.288 -4.529 14.185 1.00 1.00 O ATOM 0 H ASP X 65 83.931 -4.231 12.847 1.00 1.00 H new ATOM 0 HA ASP X 65 84.271 -6.867 13.778 1.00 1.00 H new ATOM 0 HB2 ASP X 65 84.837 -4.130 14.991 1.00 1.00 H new ATOM 0 HB3 ASP X 65 85.324 -5.625 15.764 1.00 1.00 H new ATOM 1099 N TYR X 66 82.114 -5.004 15.463 1.00 1.00 N ATOM 1100 CA TYR X 66 81.007 -5.077 16.417 1.00 1.00 C ATOM 1101 C TYR X 66 79.765 -5.706 15.784 1.00 1.00 C ATOM 1102 O TYR X 66 79.067 -6.495 16.414 1.00 1.00 O ATOM 1103 CB TYR X 66 80.676 -3.682 16.939 1.00 1.00 C ATOM 1104 CG TYR X 66 79.209 -3.608 17.283 1.00 1.00 C ATOM 1105 CD1 TYR X 66 78.693 -4.359 18.345 1.00 1.00 C ATOM 1106 CD2 TYR X 66 78.362 -2.785 16.531 1.00 1.00 C ATOM 1107 CE1 TYR X 66 77.330 -4.286 18.657 1.00 1.00 C ATOM 1108 CE2 TYR X 66 77.000 -2.712 16.842 1.00 1.00 C ATOM 1109 CZ TYR X 66 76.483 -3.463 17.905 1.00 1.00 C ATOM 1110 OH TYR X 66 75.139 -3.391 18.213 1.00 1.00 O ATOM 0 H TYR X 66 82.286 -4.075 15.077 1.00 1.00 H new ATOM 0 HA TYR X 66 81.319 -5.711 17.247 1.00 1.00 H new ATOM 0 HB2 TYR X 66 81.279 -3.459 17.820 1.00 1.00 H new ATOM 0 HB3 TYR X 66 80.922 -2.933 16.187 1.00 1.00 H new ATOM 0 HD1 TYR X 66 79.346 -4.995 18.924 1.00 1.00 H new ATOM 0 HD2 TYR X 66 78.760 -2.206 15.711 1.00 1.00 H new ATOM 0 HE1 TYR X 66 76.932 -4.864 19.478 1.00 1.00 H new ATOM 0 HE2 TYR X 66 76.347 -2.076 16.262 1.00 1.00 H new ATOM 0 HH TYR X 66 74.694 -2.774 17.595 1.00 1.00 H new ATOM 1120 N TYR X 67 79.490 -5.338 14.541 1.00 1.00 N ATOM 1121 CA TYR X 67 78.324 -5.855 13.831 1.00 1.00 C ATOM 1122 C TYR X 67 78.427 -7.363 13.648 1.00 1.00 C ATOM 1123 O TYR X 67 77.488 -8.094 13.955 1.00 1.00 O ATOM 1124 CB TYR X 67 78.225 -5.178 12.447 1.00 1.00 C ATOM 1125 CG TYR X 67 76.969 -4.336 12.360 1.00 1.00 C ATOM 1126 CD1 TYR X 67 76.668 -3.430 13.383 1.00 1.00 C ATOM 1127 CD2 TYR X 67 76.103 -4.472 11.269 1.00 1.00 C ATOM 1128 CE1 TYR X 67 75.501 -2.659 13.315 1.00 1.00 C ATOM 1129 CE2 TYR X 67 74.935 -3.703 11.201 1.00 1.00 C ATOM 1130 CZ TYR X 67 74.634 -2.797 12.225 1.00 1.00 C ATOM 1131 OH TYR X 67 73.485 -2.039 12.159 1.00 1.00 O ATOM 0 H TYR X 67 80.057 -4.684 14.001 1.00 1.00 H new ATOM 0 HA TYR X 67 77.433 -5.635 14.420 1.00 1.00 H new ATOM 0 HB2 TYR X 67 79.102 -4.553 12.277 1.00 1.00 H new ATOM 0 HB3 TYR X 67 78.217 -5.936 11.664 1.00 1.00 H new ATOM 0 HD1 TYR X 67 77.336 -3.325 14.225 1.00 1.00 H new ATOM 0 HD2 TYR X 67 76.336 -5.171 10.479 1.00 1.00 H new ATOM 0 HE1 TYR X 67 75.270 -1.958 14.103 1.00 1.00 H new ATOM 0 HE2 TYR X 67 74.267 -3.809 10.359 1.00 1.00 H new ATOM 0 HH TYR X 67 72.996 -2.256 11.338 1.00 1.00 H new ATOM 1141 N ASN X 68 79.569 -7.824 13.155 1.00 1.00 N ATOM 1142 CA ASN X 68 79.771 -9.244 12.939 1.00 1.00 C ATOM 1143 C ASN X 68 79.853 -9.985 14.270 1.00 1.00 C ATOM 1144 O ASN X 68 79.258 -11.050 14.434 1.00 1.00 O ATOM 1145 CB ASN X 68 81.063 -9.463 12.157 1.00 1.00 C ATOM 1146 CG ASN X 68 80.944 -8.853 10.764 1.00 1.00 C ATOM 1147 OD1 ASN X 68 81.950 -8.478 10.163 1.00 1.00 O ATOM 1148 ND2 ASN X 68 79.767 -8.725 10.215 1.00 1.00 N ATOM 0 H ASN X 68 80.363 -7.237 12.900 1.00 1.00 H new ATOM 0 HA ASN X 68 78.925 -9.633 12.373 1.00 1.00 H new ATOM 0 HB2 ASN X 68 81.900 -9.012 12.690 1.00 1.00 H new ATOM 0 HB3 ASN X 68 81.273 -10.530 12.078 1.00 1.00 H new ATOM 0 HD21 ASN X 68 79.680 -8.313 9.286 1.00 1.00 H new ATOM 0 HD22 ASN X 68 78.934 -9.037 10.715 1.00 1.00 H new ATOM 1155 N THR X 69 80.602 -9.422 15.214 1.00 1.00 N ATOM 1156 CA THR X 69 80.763 -10.051 16.520 1.00 1.00 C ATOM 1157 C THR X 69 79.428 -10.142 17.253 1.00 1.00 C ATOM 1158 O THR X 69 79.051 -11.204 17.747 1.00 1.00 O ATOM 1159 CB THR X 69 81.749 -9.240 17.367 1.00 1.00 C ATOM 1160 OG1 THR X 69 83.023 -9.242 16.739 1.00 1.00 O ATOM 1161 CG2 THR X 69 81.860 -9.860 18.758 1.00 1.00 C ATOM 0 H THR X 69 81.102 -8.540 15.101 1.00 1.00 H new ATOM 0 HA THR X 69 81.146 -11.060 16.366 1.00 1.00 H new ATOM 0 HB THR X 69 81.392 -8.214 17.459 1.00 1.00 H new ATOM 0 HG1 THR X 69 83.197 -8.360 16.350 1.00 1.00 H new ATOM 0 HG21 THR X 69 82.562 -9.282 19.359 1.00 1.00 H new ATOM 0 HG22 THR X 69 80.881 -9.855 19.238 1.00 1.00 H new ATOM 0 HG23 THR X 69 82.216 -10.886 18.671 1.00 1.00 H new ATOM 1169 N PHE X 70 78.722 -9.022 17.321 1.00 1.00 N ATOM 1170 CA PHE X 70 77.436 -8.983 17.996 1.00 1.00 C ATOM 1171 C PHE X 70 76.439 -9.906 17.299 1.00 1.00 C ATOM 1172 O PHE X 70 75.689 -10.628 17.955 1.00 1.00 O ATOM 1173 CB PHE X 70 76.896 -7.548 18.023 1.00 1.00 C ATOM 1174 CG PHE X 70 75.719 -7.459 18.974 1.00 1.00 C ATOM 1175 CD1 PHE X 70 75.922 -7.671 20.343 1.00 1.00 C ATOM 1176 CD2 PHE X 70 74.437 -7.168 18.494 1.00 1.00 C ATOM 1177 CE1 PHE X 70 74.843 -7.592 21.232 1.00 1.00 C ATOM 1178 CE2 PHE X 70 73.358 -7.088 19.383 1.00 1.00 C ATOM 1179 CZ PHE X 70 73.561 -7.300 20.751 1.00 1.00 C ATOM 0 H PHE X 70 79.018 -8.133 16.918 1.00 1.00 H new ATOM 0 HA PHE X 70 77.572 -9.328 19.021 1.00 1.00 H new ATOM 0 HB2 PHE X 70 77.681 -6.860 18.337 1.00 1.00 H new ATOM 0 HB3 PHE X 70 76.589 -7.246 17.021 1.00 1.00 H new ATOM 0 HD1 PHE X 70 76.911 -7.896 20.714 1.00 1.00 H new ATOM 0 HD2 PHE X 70 74.280 -7.005 17.438 1.00 1.00 H new ATOM 0 HE1 PHE X 70 75.000 -7.756 22.288 1.00 1.00 H new ATOM 0 HE2 PHE X 70 72.369 -6.863 19.013 1.00 1.00 H new ATOM 0 HZ PHE X 70 72.728 -7.238 21.436 1.00 1.00 H new ATOM 1189 N GLY X 71 76.433 -9.875 15.966 1.00 1.00 N ATOM 1190 CA GLY X 71 75.520 -10.710 15.199 1.00 1.00 C ATOM 1191 C GLY X 71 75.317 -10.144 13.793 1.00 1.00 C ATOM 1192 O GLY X 71 75.709 -10.761 12.806 1.00 1.00 O ATOM 0 H GLY X 71 77.046 -9.285 15.403 1.00 1.00 H new ATOM 0 HA2 GLY X 71 75.915 -11.724 15.134 1.00 1.00 H new ATOM 0 HA3 GLY X 71 74.560 -10.774 15.712 1.00 1.00 H new ATOM 1196 N PRO X 72 74.721 -8.986 13.696 1.00 1.00 N ATOM 1197 CA PRO X 72 74.463 -8.318 12.398 1.00 1.00 C ATOM 1198 C PRO X 72 75.624 -8.487 11.420 1.00 1.00 C ATOM 1199 O PRO X 72 76.648 -7.809 11.525 1.00 1.00 O ATOM 1200 CB PRO X 72 74.293 -6.855 12.790 1.00 1.00 C ATOM 1201 CG PRO X 72 73.816 -6.850 14.201 1.00 1.00 C ATOM 1202 CD PRO X 72 74.233 -8.182 14.822 1.00 1.00 C ATOM 0 HA PRO X 72 73.599 -8.736 11.881 1.00 1.00 H new ATOM 0 HB2 PRO X 72 75.236 -6.316 12.697 1.00 1.00 H new ATOM 0 HB3 PRO X 72 73.576 -6.359 12.136 1.00 1.00 H new ATOM 0 HG2 PRO X 72 74.251 -6.016 14.751 1.00 1.00 H new ATOM 0 HG3 PRO X 72 72.734 -6.729 14.241 1.00 1.00 H new ATOM 0 HD2 PRO X 72 75.010 -8.042 15.574 1.00 1.00 H new ATOM 0 HD3 PRO X 72 73.393 -8.667 15.319 1.00 1.00 H new ATOM 1210 N GLU X 73 75.449 -9.398 10.477 1.00 1.00 N ATOM 1211 CA GLU X 73 76.468 -9.668 9.472 1.00 1.00 C ATOM 1212 C GLU X 73 76.267 -8.795 8.237 1.00 1.00 C ATOM 1213 O GLU X 73 76.961 -8.963 7.234 1.00 1.00 O ATOM 1214 CB GLU X 73 76.441 -11.141 9.080 1.00 1.00 C ATOM 1215 CG GLU X 73 75.147 -11.447 8.319 1.00 1.00 C ATOM 1216 CD GLU X 73 74.985 -12.953 8.149 1.00 1.00 C ATOM 1217 OE1 GLU X 73 75.246 -13.668 9.101 1.00 1.00 O ATOM 1218 OE2 GLU X 73 74.594 -13.368 7.070 1.00 1.00 O ATOM 0 H GLU X 73 74.607 -9.966 10.385 1.00 1.00 H new ATOM 0 HA GLU X 73 77.440 -9.429 9.903 1.00 1.00 H new ATOM 0 HB2 GLU X 73 77.305 -11.378 8.459 1.00 1.00 H new ATOM 0 HB3 GLU X 73 76.507 -11.766 9.971 1.00 1.00 H new ATOM 0 HG2 GLU X 73 74.293 -11.040 8.860 1.00 1.00 H new ATOM 0 HG3 GLU X 73 75.166 -10.963 7.343 1.00 1.00 H new ATOM 1225 N LYS X 74 75.302 -7.879 8.308 1.00 1.00 N ATOM 1226 CA LYS X 74 75.007 -7.002 7.191 1.00 1.00 C ATOM 1227 C LYS X 74 76.287 -6.549 6.516 1.00 1.00 C ATOM 1228 O LYS X 74 76.356 -6.483 5.288 1.00 1.00 O ATOM 1229 CB LYS X 74 74.217 -5.785 7.684 1.00 1.00 C ATOM 1230 CG LYS X 74 73.986 -4.806 6.527 1.00 1.00 C ATOM 1231 CD LYS X 74 73.180 -3.610 7.016 1.00 1.00 C ATOM 1232 CE LYS X 74 73.007 -2.621 5.863 1.00 1.00 C ATOM 1233 NZ LYS X 74 72.217 -1.450 6.333 1.00 1.00 N ATOM 0 H LYS X 74 74.715 -7.730 9.129 1.00 1.00 H new ATOM 0 HA LYS X 74 74.409 -7.551 6.464 1.00 1.00 H new ATOM 0 HB2 LYS X 74 73.260 -6.105 8.097 1.00 1.00 H new ATOM 0 HB3 LYS X 74 74.761 -5.289 8.488 1.00 1.00 H new ATOM 0 HG2 LYS X 74 74.942 -4.472 6.125 1.00 1.00 H new ATOM 0 HG3 LYS X 74 73.457 -5.306 5.716 1.00 1.00 H new ATOM 0 HD2 LYS X 74 72.206 -3.936 7.381 1.00 1.00 H new ATOM 0 HD3 LYS X 74 73.689 -3.129 7.851 1.00 1.00 H new ATOM 0 HE2 LYS X 74 73.981 -2.295 5.500 1.00 1.00 H new ATOM 0 HE3 LYS X 74 72.501 -3.104 5.027 1.00 1.00 H new ATOM 0 HZ1 LYS X 74 72.098 -0.775 5.551 1.00 1.00 H new ATOM 0 HZ2 LYS X 74 71.283 -1.770 6.660 1.00 1.00 H new ATOM 0 HZ3 LYS X 74 72.718 -0.986 7.117 1.00 1.00 H new ATOM 1247 N VAL X 75 77.295 -6.233 7.318 1.00 1.00 N ATOM 1248 CA VAL X 75 78.563 -5.789 6.787 1.00 1.00 C ATOM 1249 C VAL X 75 79.685 -6.722 7.245 1.00 1.00 C ATOM 1250 O VAL X 75 80.288 -6.518 8.293 1.00 1.00 O ATOM 1251 CB VAL X 75 78.834 -4.366 7.255 1.00 1.00 C ATOM 1252 CG1 VAL X 75 77.790 -3.415 6.662 1.00 1.00 C ATOM 1253 CG2 VAL X 75 78.769 -4.294 8.774 1.00 1.00 C ATOM 0 H VAL X 75 77.253 -6.278 8.336 1.00 1.00 H new ATOM 0 HA VAL X 75 78.525 -5.808 5.698 1.00 1.00 H new ATOM 0 HB VAL X 75 79.829 -4.072 6.921 1.00 1.00 H new ATOM 0 HG11 VAL X 75 77.990 -2.398 7.001 1.00 1.00 H new ATOM 0 HG12 VAL X 75 77.841 -3.451 5.574 1.00 1.00 H new ATOM 0 HG13 VAL X 75 76.795 -3.717 6.989 1.00 1.00 H new ATOM 0 HG21 VAL X 75 78.964 -3.272 9.098 1.00 1.00 H new ATOM 0 HG22 VAL X 75 77.778 -4.599 9.111 1.00 1.00 H new ATOM 0 HG23 VAL X 75 79.518 -4.960 9.202 1.00 1.00 H new ATOM 1263 N PRO X 76 79.976 -7.739 6.483 1.00 1.00 N ATOM 1264 CA PRO X 76 81.066 -8.701 6.816 1.00 1.00 C ATOM 1265 C PRO X 76 82.424 -8.007 6.930 1.00 1.00 C ATOM 1266 O PRO X 76 82.728 -7.083 6.176 1.00 1.00 O ATOM 1267 CB PRO X 76 81.057 -9.677 5.633 1.00 1.00 C ATOM 1268 CG PRO X 76 79.697 -9.549 5.031 1.00 1.00 C ATOM 1269 CD PRO X 76 79.279 -8.113 5.249 1.00 1.00 C ATOM 0 HA PRO X 76 80.908 -9.185 7.780 1.00 1.00 H new ATOM 0 HB2 PRO X 76 81.833 -9.426 4.910 1.00 1.00 H new ATOM 0 HB3 PRO X 76 81.247 -10.698 5.963 1.00 1.00 H new ATOM 0 HG2 PRO X 76 79.716 -9.793 3.969 1.00 1.00 H new ATOM 0 HG3 PRO X 76 78.995 -10.236 5.503 1.00 1.00 H new ATOM 0 HD2 PRO X 76 79.573 -7.478 4.413 1.00 1.00 H new ATOM 0 HD3 PRO X 76 78.198 -8.021 5.355 1.00 1.00 H new ATOM 1277 N VAL X 77 83.232 -8.463 7.881 1.00 1.00 N ATOM 1278 CA VAL X 77 84.559 -7.892 8.094 1.00 1.00 C ATOM 1279 C VAL X 77 85.510 -8.293 6.974 1.00 1.00 C ATOM 1280 O VAL X 77 86.518 -7.628 6.735 1.00 1.00 O ATOM 1281 CB VAL X 77 85.121 -8.351 9.438 1.00 1.00 C ATOM 1282 CG1 VAL X 77 85.271 -9.873 9.431 1.00 1.00 C ATOM 1283 CG2 VAL X 77 86.489 -7.705 9.665 1.00 1.00 C ATOM 0 H VAL X 77 82.993 -9.225 8.516 1.00 1.00 H new ATOM 0 HA VAL X 77 84.464 -6.806 8.095 1.00 1.00 H new ATOM 0 HB VAL X 77 84.442 -8.055 10.238 1.00 1.00 H new ATOM 0 HG11 VAL X 77 85.672 -10.203 10.389 1.00 1.00 H new ATOM 0 HG12 VAL X 77 84.297 -10.334 9.267 1.00 1.00 H new ATOM 0 HG13 VAL X 77 85.951 -10.168 8.632 1.00 1.00 H new ATOM 0 HG21 VAL X 77 86.891 -8.032 10.624 1.00 1.00 H new ATOM 0 HG22 VAL X 77 87.169 -8.002 8.866 1.00 1.00 H new ATOM 0 HG23 VAL X 77 86.383 -6.620 9.667 1.00 1.00 H new ATOM 1293 N THR X 78 85.190 -9.388 6.296 1.00 1.00 N ATOM 1294 CA THR X 78 86.030 -9.875 5.205 1.00 1.00 C ATOM 1295 C THR X 78 86.417 -8.732 4.263 1.00 1.00 C ATOM 1296 O THR X 78 87.314 -8.874 3.423 1.00 1.00 O ATOM 1297 CB THR X 78 85.283 -10.956 4.420 1.00 1.00 C ATOM 1298 OG1 THR X 78 84.212 -10.363 3.698 1.00 1.00 O ATOM 1299 CG2 THR X 78 84.729 -12.005 5.385 1.00 1.00 C ATOM 0 H THR X 78 84.361 -9.954 6.479 1.00 1.00 H new ATOM 0 HA THR X 78 86.940 -10.295 5.633 1.00 1.00 H new ATOM 0 HB THR X 78 85.971 -11.435 3.723 1.00 1.00 H new ATOM 0 HG1 THR X 78 83.735 -11.055 3.194 1.00 1.00 H new ATOM 0 HG21 THR X 78 84.198 -12.773 4.822 1.00 1.00 H new ATOM 0 HG22 THR X 78 85.551 -12.462 5.936 1.00 1.00 H new ATOM 0 HG23 THR X 78 84.043 -11.529 6.085 1.00 1.00 H new ATOM 1307 N ALA X 79 85.740 -7.600 4.412 1.00 1.00 N ATOM 1308 CA ALA X 79 86.020 -6.436 3.586 1.00 1.00 C ATOM 1309 C ALA X 79 87.481 -6.023 3.725 1.00 1.00 C ATOM 1310 O ALA X 79 88.041 -5.384 2.836 1.00 1.00 O ATOM 1311 CB ALA X 79 85.114 -5.278 3.994 1.00 1.00 C ATOM 0 H ALA X 79 84.995 -7.465 5.096 1.00 1.00 H new ATOM 0 HA ALA X 79 85.827 -6.694 2.545 1.00 1.00 H new ATOM 0 HB1 ALA X 79 85.330 -4.410 3.371 1.00 1.00 H new ATOM 0 HB2 ALA X 79 84.071 -5.568 3.863 1.00 1.00 H new ATOM 0 HB3 ALA X 79 85.293 -5.027 5.040 1.00 1.00 H new ATOM 1317 N PHE X 80 88.091 -6.382 4.851 1.00 1.00 N ATOM 1318 CA PHE X 80 89.489 -6.035 5.088 1.00 1.00 C ATOM 1319 C PHE X 80 90.405 -6.685 4.049 1.00 1.00 C ATOM 1320 O PHE X 80 91.253 -6.022 3.451 1.00 1.00 O ATOM 1321 CB PHE X 80 89.905 -6.496 6.488 1.00 1.00 C ATOM 1322 CG PHE X 80 91.270 -5.944 6.814 1.00 1.00 C ATOM 1323 CD1 PHE X 80 92.417 -6.534 6.270 1.00 1.00 C ATOM 1324 CD2 PHE X 80 91.388 -4.838 7.665 1.00 1.00 C ATOM 1325 CE1 PHE X 80 93.682 -6.017 6.576 1.00 1.00 C ATOM 1326 CE2 PHE X 80 92.653 -4.322 7.972 1.00 1.00 C ATOM 1327 CZ PHE X 80 93.800 -4.912 7.427 1.00 1.00 C ATOM 0 H PHE X 80 87.647 -6.906 5.605 1.00 1.00 H new ATOM 0 HA PHE X 80 89.587 -4.953 5.006 1.00 1.00 H new ATOM 0 HB2 PHE X 80 89.178 -6.156 7.225 1.00 1.00 H new ATOM 0 HB3 PHE X 80 89.921 -7.585 6.534 1.00 1.00 H new ATOM 0 HD1 PHE X 80 92.326 -7.388 5.615 1.00 1.00 H new ATOM 0 HD2 PHE X 80 90.503 -4.383 8.085 1.00 1.00 H new ATOM 0 HE1 PHE X 80 94.567 -6.471 6.155 1.00 1.00 H new ATOM 0 HE2 PHE X 80 92.744 -3.469 8.629 1.00 1.00 H new ATOM 0 HZ PHE X 80 94.776 -4.514 7.663 1.00 1.00 H new ATOM 1337 N SER X 81 90.234 -7.985 3.841 1.00 1.00 N ATOM 1338 CA SER X 81 91.064 -8.709 2.876 1.00 1.00 C ATOM 1339 C SER X 81 90.854 -8.161 1.454 1.00 1.00 C ATOM 1340 O SER X 81 91.811 -7.807 0.732 1.00 1.00 O ATOM 1341 CB SER X 81 90.701 -10.202 2.918 1.00 1.00 C ATOM 1342 OG SER X 81 89.298 -10.355 2.729 1.00 1.00 O ATOM 0 H SER X 81 89.538 -8.557 4.319 1.00 1.00 H new ATOM 0 HA SER X 81 92.113 -8.574 3.142 1.00 1.00 H new ATOM 0 HB2 SER X 81 91.244 -10.741 2.142 1.00 1.00 H new ATOM 0 HB3 SER X 81 90.999 -10.633 3.874 1.00 1.00 H new ATOM 0 HG SER X 81 88.818 -9.796 3.375 1.00 1.00 H new ATOM 1348 N TYR X 82 89.596 -8.083 1.051 1.00 1.00 N ATOM 1349 CA TYR X 82 89.278 -7.588 -0.278 1.00 1.00 C ATOM 1350 C TYR X 82 89.795 -6.159 -0.443 1.00 1.00 C ATOM 1351 O TYR X 82 90.201 -5.737 -1.537 1.00 1.00 O ATOM 1352 CB TYR X 82 87.759 -7.644 -0.500 1.00 1.00 C ATOM 1353 CG TYR X 82 87.265 -9.071 -0.330 1.00 1.00 C ATOM 1354 CD1 TYR X 82 87.734 -10.082 -1.177 1.00 1.00 C ATOM 1355 CD2 TYR X 82 86.339 -9.375 0.675 1.00 1.00 C ATOM 1356 CE1 TYR X 82 87.277 -11.396 -1.020 1.00 1.00 C ATOM 1357 CE2 TYR X 82 85.882 -10.688 0.833 1.00 1.00 C ATOM 1358 CZ TYR X 82 86.350 -11.699 -0.014 1.00 1.00 C ATOM 1359 OH TYR X 82 85.900 -12.994 0.142 1.00 1.00 O ATOM 0 H TYR X 82 88.790 -8.352 1.615 1.00 1.00 H new ATOM 0 HA TYR X 82 89.765 -8.217 -1.024 1.00 1.00 H new ATOM 0 HB2 TYR X 82 87.254 -6.988 0.209 1.00 1.00 H new ATOM 0 HB3 TYR X 82 87.515 -7.282 -1.499 1.00 1.00 H new ATOM 0 HD1 TYR X 82 88.449 -9.848 -1.952 1.00 1.00 H new ATOM 0 HD2 TYR X 82 85.977 -8.595 1.329 1.00 1.00 H new ATOM 0 HE1 TYR X 82 87.639 -12.176 -1.674 1.00 1.00 H new ATOM 0 HE2 TYR X 82 85.168 -10.921 1.609 1.00 1.00 H new ATOM 0 HH TYR X 82 85.362 -13.249 -0.636 1.00 1.00 H new ATOM 1369 N TRP X 83 89.786 -5.415 0.651 1.00 1.00 N ATOM 1370 CA TRP X 83 90.250 -4.046 0.614 1.00 1.00 C ATOM 1371 C TRP X 83 91.742 -3.997 0.287 1.00 1.00 C ATOM 1372 O TRP X 83 92.218 -3.061 -0.353 1.00 1.00 O ATOM 1373 CB TRP X 83 89.986 -3.351 1.953 1.00 1.00 C ATOM 1374 CG TRP X 83 90.588 -1.982 1.936 1.00 1.00 C ATOM 1375 CD1 TRP X 83 90.592 -1.145 0.873 1.00 1.00 C ATOM 1376 CD2 TRP X 83 91.269 -1.276 3.015 1.00 1.00 C ATOM 1377 NE1 TRP X 83 91.231 0.028 1.230 1.00 1.00 N ATOM 1378 CE2 TRP X 83 91.666 -0.003 2.540 1.00 1.00 C ATOM 1379 CE3 TRP X 83 91.577 -1.612 4.345 1.00 1.00 C ATOM 1380 CZ2 TRP X 83 92.344 0.903 3.355 1.00 1.00 C ATOM 1381 CZ3 TRP X 83 92.260 -0.703 5.169 1.00 1.00 C ATOM 1382 CH2 TRP X 83 92.643 0.552 4.675 1.00 1.00 C ATOM 0 H TRP X 83 89.465 -5.735 1.565 1.00 1.00 H new ATOM 0 HA TRP X 83 89.700 -3.521 -0.167 1.00 1.00 H new ATOM 0 HB2 TRP X 83 88.913 -3.285 2.135 1.00 1.00 H new ATOM 0 HB3 TRP X 83 90.412 -3.936 2.768 1.00 1.00 H new ATOM 0 HD1 TRP X 83 90.166 -1.358 -0.096 1.00 1.00 H new ATOM 0 HE1 TRP X 83 91.365 0.820 0.602 1.00 1.00 H new ATOM 0 HE3 TRP X 83 91.286 -2.576 4.736 1.00 1.00 H new ATOM 0 HZ2 TRP X 83 92.636 1.869 2.969 1.00 1.00 H new ATOM 0 HZ3 TRP X 83 92.492 -0.972 6.189 1.00 1.00 H new ATOM 0 HH2 TRP X 83 93.168 1.247 5.313 1.00 1.00 H new ATOM 1393 N ASN X 84 92.476 -5.010 0.739 1.00 1.00 N ATOM 1394 CA ASN X 84 93.913 -5.060 0.495 1.00 1.00 C ATOM 1395 C ASN X 84 94.170 -5.024 -1.008 1.00 1.00 C ATOM 1396 O ASN X 84 95.087 -4.349 -1.493 1.00 1.00 O ATOM 1397 CB ASN X 84 94.495 -6.349 1.074 1.00 1.00 C ATOM 1398 CG ASN X 84 95.933 -6.122 1.528 1.00 1.00 C ATOM 1399 OD1 ASN X 84 96.199 -5.216 2.318 1.00 1.00 O ATOM 1400 ND2 ASN X 84 96.882 -6.889 1.067 1.00 1.00 N ATOM 0 H ASN X 84 92.105 -5.798 1.270 1.00 1.00 H new ATOM 0 HA ASN X 84 94.388 -4.204 0.974 1.00 1.00 H new ATOM 0 HB2 ASN X 84 93.889 -6.684 1.916 1.00 1.00 H new ATOM 0 HB3 ASN X 84 94.463 -7.139 0.324 1.00 1.00 H new ATOM 0 HD21 ASN X 84 97.847 -6.739 1.361 1.00 1.00 H new ATOM 0 HD22 ASN X 84 96.659 -7.639 0.413 1.00 1.00 H new ATOM 1407 N LEU X 85 93.343 -5.743 -1.754 1.00 1.00 N ATOM 1408 CA LEU X 85 93.496 -5.760 -3.204 1.00 1.00 C ATOM 1409 C LEU X 85 93.298 -4.356 -3.762 1.00 1.00 C ATOM 1410 O LEU X 85 94.009 -3.938 -4.678 1.00 1.00 O ATOM 1411 CB LEU X 85 92.493 -6.725 -3.835 1.00 1.00 C ATOM 1412 CG LEU X 85 93.045 -8.153 -3.812 1.00 1.00 C ATOM 1413 CD1 LEU X 85 94.241 -8.285 -4.766 1.00 1.00 C ATOM 1414 CD2 LEU X 85 93.491 -8.495 -2.392 1.00 1.00 C ATOM 0 H LEU X 85 92.576 -6.310 -1.392 1.00 1.00 H new ATOM 0 HA LEU X 85 94.502 -6.101 -3.447 1.00 1.00 H new ATOM 0 HB2 LEU X 85 91.548 -6.684 -3.293 1.00 1.00 H new ATOM 0 HB3 LEU X 85 92.285 -6.424 -4.862 1.00 1.00 H new ATOM 0 HG LEU X 85 92.262 -8.839 -4.135 1.00 1.00 H new ATOM 0 HD11 LEU X 85 94.619 -9.307 -4.736 1.00 1.00 H new ATOM 0 HD12 LEU X 85 93.925 -8.045 -5.781 1.00 1.00 H new ATOM 0 HD13 LEU X 85 95.029 -7.597 -4.459 1.00 1.00 H new ATOM 0 HD21 LEU X 85 93.885 -9.511 -2.369 1.00 1.00 H new ATOM 0 HD22 LEU X 85 94.267 -7.798 -2.076 1.00 1.00 H new ATOM 0 HD23 LEU X 85 92.640 -8.421 -1.715 1.00 1.00 H new ATOM 1426 N ILE X 86 92.336 -3.624 -3.209 1.00 1.00 N ATOM 1427 CA ILE X 86 92.087 -2.263 -3.668 1.00 1.00 C ATOM 1428 C ILE X 86 93.289 -1.365 -3.382 1.00 1.00 C ATOM 1429 O ILE X 86 93.689 -0.563 -4.223 1.00 1.00 O ATOM 1430 CB ILE X 86 90.862 -1.720 -2.974 1.00 1.00 C ATOM 1431 CG1 ILE X 86 89.616 -2.465 -3.460 1.00 1.00 C ATOM 1432 CG2 ILE X 86 90.716 -0.234 -3.265 1.00 1.00 C ATOM 1433 CD1 ILE X 86 88.430 -2.117 -2.563 1.00 1.00 C ATOM 0 H ILE X 86 91.726 -3.943 -2.456 1.00 1.00 H new ATOM 0 HA ILE X 86 91.923 -2.279 -4.746 1.00 1.00 H new ATOM 0 HB ILE X 86 90.971 -1.865 -1.899 1.00 1.00 H new ATOM 0 HG12 ILE X 86 89.397 -2.193 -4.492 1.00 1.00 H new ATOM 0 HG13 ILE X 86 89.794 -3.540 -3.445 1.00 1.00 H new ATOM 0 HG21 ILE X 86 89.829 0.150 -2.760 1.00 1.00 H new ATOM 0 HG22 ILE X 86 91.597 0.296 -2.904 1.00 1.00 H new ATOM 0 HG23 ILE X 86 90.616 -0.082 -4.340 1.00 1.00 H new ATOM 0 HD11 ILE X 86 87.543 -2.648 -2.910 1.00 1.00 H new ATOM 0 HD12 ILE X 86 88.651 -2.411 -1.537 1.00 1.00 H new ATOM 0 HD13 ILE X 86 88.248 -1.043 -2.601 1.00 1.00 H new ATOM 1445 N LYS X 87 93.876 -1.501 -2.189 1.00 1.00 N ATOM 1446 CA LYS X 87 95.030 -0.681 -1.834 1.00 1.00 C ATOM 1447 C LYS X 87 96.054 -0.681 -2.956 1.00 1.00 C ATOM 1448 O LYS X 87 96.564 0.369 -3.350 1.00 1.00 O ATOM 1449 CB LYS X 87 95.687 -1.237 -0.572 1.00 1.00 C ATOM 1450 CG LYS X 87 94.868 -0.856 0.650 1.00 1.00 C ATOM 1451 CD LYS X 87 95.597 -1.328 1.917 1.00 1.00 C ATOM 1452 CE LYS X 87 94.863 -0.802 3.147 1.00 1.00 C ATOM 1453 NZ LYS X 87 95.583 -1.212 4.383 1.00 1.00 N ATOM 0 H LYS X 87 93.577 -2.158 -1.468 1.00 1.00 H new ATOM 0 HA LYS X 87 94.685 0.339 -1.663 1.00 1.00 H new ATOM 0 HB2 LYS X 87 95.768 -2.322 -0.642 1.00 1.00 H new ATOM 0 HB3 LYS X 87 96.700 -0.847 -0.477 1.00 1.00 H new ATOM 0 HG2 LYS X 87 94.722 0.224 0.682 1.00 1.00 H new ATOM 0 HG3 LYS X 87 93.879 -1.310 0.595 1.00 1.00 H new ATOM 0 HD2 LYS X 87 95.638 -2.417 1.942 1.00 1.00 H new ATOM 0 HD3 LYS X 87 96.626 -0.970 1.913 1.00 1.00 H new ATOM 0 HE2 LYS X 87 94.792 0.285 3.101 1.00 1.00 H new ATOM 0 HE3 LYS X 87 93.844 -1.188 3.165 1.00 1.00 H new ATOM 0 HZ1 LYS X 87 94.912 -1.257 5.177 1.00 1.00 H new ATOM 0 HZ2 LYS X 87 96.014 -2.148 4.240 1.00 1.00 H new ATOM 0 HZ3 LYS X 87 96.327 -0.518 4.598 1.00 1.00 H new ATOM 1467 N GLU X 88 96.345 -1.859 -3.474 1.00 1.00 N ATOM 1468 CA GLU X 88 97.306 -1.978 -4.572 1.00 1.00 C ATOM 1469 C GLU X 88 96.770 -1.322 -5.838 1.00 1.00 C ATOM 1470 O GLU X 88 97.530 -0.771 -6.634 1.00 1.00 O ATOM 1471 CB GLU X 88 97.621 -3.448 -4.852 1.00 1.00 C ATOM 1472 CG GLU X 88 98.631 -3.953 -3.831 1.00 1.00 C ATOM 1473 CD GLU X 88 98.908 -5.435 -4.066 1.00 1.00 C ATOM 1474 OE1 GLU X 88 98.352 -5.979 -5.006 1.00 1.00 O ATOM 1475 OE2 GLU X 88 99.672 -6.004 -3.304 1.00 1.00 O ATOM 0 H GLU X 88 95.940 -2.742 -3.162 1.00 1.00 H new ATOM 0 HA GLU X 88 98.220 -1.466 -4.271 1.00 1.00 H new ATOM 0 HB2 GLU X 88 96.709 -4.043 -4.802 1.00 1.00 H new ATOM 0 HB3 GLU X 88 98.020 -3.560 -5.860 1.00 1.00 H new ATOM 0 HG2 GLU X 88 99.557 -3.384 -3.910 1.00 1.00 H new ATOM 0 HG3 GLU X 88 98.248 -3.801 -2.822 1.00 1.00 H new ATOM 1482 N LEU X 89 95.461 -1.393 -6.040 1.00 1.00 N ATOM 1483 CA LEU X 89 94.876 -0.805 -7.239 1.00 1.00 C ATOM 1484 C LEU X 89 95.013 0.715 -7.251 1.00 1.00 C ATOM 1485 O LEU X 89 95.459 1.299 -8.240 1.00 1.00 O ATOM 1486 CB LEU X 89 93.389 -1.182 -7.309 1.00 1.00 C ATOM 1487 CG LEU X 89 92.691 -0.418 -8.445 1.00 1.00 C ATOM 1488 CD1 LEU X 89 93.401 -0.696 -9.766 1.00 1.00 C ATOM 1489 CD2 LEU X 89 91.230 -0.869 -8.542 1.00 1.00 C ATOM 0 H LEU X 89 94.798 -1.840 -5.407 1.00 1.00 H new ATOM 0 HA LEU X 89 95.413 -1.195 -8.104 1.00 1.00 H new ATOM 0 HB2 LEU X 89 93.287 -2.255 -7.469 1.00 1.00 H new ATOM 0 HB3 LEU X 89 92.905 -0.954 -6.359 1.00 1.00 H new ATOM 0 HG LEU X 89 92.728 0.651 -8.236 1.00 1.00 H new ATOM 0 HD11 LEU X 89 92.903 -0.152 -10.568 1.00 1.00 H new ATOM 0 HD12 LEU X 89 94.439 -0.370 -9.697 1.00 1.00 H new ATOM 0 HD13 LEU X 89 93.370 -1.765 -9.978 1.00 1.00 H new ATOM 0 HD21 LEU X 89 90.735 -0.327 -9.348 1.00 1.00 H new ATOM 0 HD22 LEU X 89 91.192 -1.939 -8.747 1.00 1.00 H new ATOM 0 HD23 LEU X 89 90.722 -0.662 -7.600 1.00 1.00 H new ATOM 1501 N ILE X 90 94.611 1.347 -6.162 1.00 1.00 N ATOM 1502 CA ILE X 90 94.669 2.795 -6.068 1.00 1.00 C ATOM 1503 C ILE X 90 96.114 3.263 -5.945 1.00 1.00 C ATOM 1504 O ILE X 90 96.519 4.241 -6.574 1.00 1.00 O ATOM 1505 CB ILE X 90 93.868 3.270 -4.855 1.00 1.00 C ATOM 1506 CG1 ILE X 90 92.460 2.690 -4.918 1.00 1.00 C ATOM 1507 CG2 ILE X 90 93.756 4.798 -4.886 1.00 1.00 C ATOM 1508 CD1 ILE X 90 91.795 2.813 -3.556 1.00 1.00 C ATOM 0 H ILE X 90 94.242 0.882 -5.333 1.00 1.00 H new ATOM 0 HA ILE X 90 94.238 3.220 -6.975 1.00 1.00 H new ATOM 0 HB ILE X 90 94.372 2.944 -3.945 1.00 1.00 H new ATOM 0 HG12 ILE X 90 91.872 3.217 -5.670 1.00 1.00 H new ATOM 0 HG13 ILE X 90 92.500 1.644 -5.221 1.00 1.00 H new ATOM 0 HG21 ILE X 90 93.185 5.139 -4.022 1.00 1.00 H new ATOM 0 HG22 ILE X 90 94.753 5.237 -4.858 1.00 1.00 H new ATOM 0 HG23 ILE X 90 93.249 5.107 -5.800 1.00 1.00 H new ATOM 0 HD11 ILE X 90 90.788 2.398 -3.604 1.00 1.00 H new ATOM 0 HD12 ILE X 90 92.379 2.266 -2.815 1.00 1.00 H new ATOM 0 HD13 ILE X 90 91.741 3.864 -3.271 1.00 1.00 H new ATOM 1520 N ASP X 91 96.880 2.559 -5.121 1.00 1.00 N ATOM 1521 CA ASP X 91 98.278 2.914 -4.906 1.00 1.00 C ATOM 1522 C ASP X 91 99.047 2.884 -6.223 1.00 1.00 C ATOM 1523 O ASP X 91 99.754 3.834 -6.559 1.00 1.00 O ATOM 1524 CB ASP X 91 98.921 1.928 -3.923 1.00 1.00 C ATOM 1525 CG ASP X 91 98.382 2.164 -2.518 1.00 1.00 C ATOM 1526 OD1 ASP X 91 97.823 3.224 -2.287 1.00 1.00 O ATOM 1527 OD2 ASP X 91 98.534 1.280 -1.691 1.00 1.00 O ATOM 0 H ASP X 91 96.561 1.746 -4.595 1.00 1.00 H new ATOM 0 HA ASP X 91 98.317 3.923 -4.494 1.00 1.00 H new ATOM 0 HB2 ASP X 91 98.712 0.904 -4.234 1.00 1.00 H new ATOM 0 HB3 ASP X 91 100.004 2.049 -3.931 1.00 1.00 H new