USER MOD reduce.3.24.130724 H: found=0, std=0, add=302, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 303 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 : A 95 LYS NZ :NH3+ -115:sc= 0.834 (180deg=-0.456) USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 SER OG : rot 50:sc= 0.963 USER MOD Single : A 98 TYR OH : rot 141:sc= 1.17 USER MOD Single : A 102 ASN : amide:sc= -0.446 X(o=-0.45,f=-0.43) USER MOD Single : A 105 THR OG1 : rot -54:sc= 0.294 USER MOD Single : A 106 LYS NZ :NH3+ -109:sc= 1.23 (180deg=-1.55!) USER MOD Single : A 107 THR OG1 : rot 51:sc= 0.921 USER MOD Single : A 109 THR OG1 : rot 180:sc= -0.0108 USER MOD Single : A 111 GLN : amide:sc= -0.0574 K(o=-0.057,f=-2.6!) USER MOD Single : A 114 THR OG1 : rot 56:sc= 0.295 USER MOD Single : A 119 LYS NZ :NH3+ -174:sc= 0.851 (180deg=0.745) USER MOD Single : A 120 LYS NZ :NH3+ -112:sc= 0.981 (180deg=-0.0501) USER MOD Single : A 122 MET CE :methyl 171:sc=-0.00359 (180deg=-0.153) USER MOD Single : A 125 GLN : amide:sc= 0.973 K(o=0.97,f=-0.73) USER MOD Single : A 127 LYS NZ :NH3+ 158:sc= 1.49 (180deg=1.01) USER MOD Single : A 128 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 68 N ALA A 94 3.019 -1.592 -1.937 1.00 0.00 N ATOM 69 CA ALA A 94 3.565 -0.326 -2.414 1.00 0.00 C ATOM 70 C ALA A 94 2.465 0.736 -2.459 1.00 0.00 C ATOM 71 O ALA A 94 2.126 1.244 -3.527 1.00 0.00 O ATOM 72 CB ALA A 94 4.203 -0.524 -3.794 1.00 0.00 C ATOM 0 HA ALA A 94 4.337 0.019 -1.727 1.00 0.00 H new ATOM 0 HB1 ALA A 94 4.609 0.424 -4.146 1.00 0.00 H new ATOM 0 HB2 ALA A 94 5.005 -1.258 -3.722 1.00 0.00 H new ATOM 0 HB3 ALA A 94 3.448 -0.879 -4.496 1.00 0.00 H new ATOM 78 N LYS A 95 1.911 1.062 -1.286 1.00 0.00 N ATOM 79 CA LYS A 95 0.846 2.048 -1.173 1.00 0.00 C ATOM 80 C LYS A 95 1.298 3.397 -1.745 1.00 0.00 C ATOM 81 O LYS A 95 0.484 4.136 -2.302 1.00 0.00 O ATOM 82 CB LYS A 95 0.447 2.172 0.313 1.00 0.00 C ATOM 83 CG LYS A 95 -0.428 3.416 0.558 1.00 0.00 C ATOM 84 CD LYS A 95 -1.757 3.300 -0.206 1.00 0.00 C ATOM 85 CE LYS A 95 -2.458 4.661 -0.242 1.00 0.00 C ATOM 86 NZ LYS A 95 -1.714 5.620 -1.082 1.00 0.00 N ATOM 0 H LYS A 95 2.191 0.649 -0.396 1.00 0.00 H new ATOM 0 HA LYS A 95 -0.021 1.729 -1.751 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -0.095 1.278 0.622 1.00 0.00 H new ATOM 0 HB3 LYS A 95 1.345 2.230 0.929 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -0.624 3.526 1.625 1.00 0.00 H new ATOM 0 HG3 LYS A 95 0.105 4.311 0.238 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -1.573 2.949 -1.221 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -2.400 2.563 0.275 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -3.470 4.542 -0.629 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -2.549 5.054 0.771 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -1.356 6.396 -0.489 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -0.915 5.135 -1.538 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -2.347 6.006 -1.812 1.00 0.00 H new ATOM 100 N TYR A 96 2.590 3.719 -1.602 1.00 0.00 N ATOM 101 CA TYR A 96 3.133 4.977 -2.089 1.00 0.00 C ATOM 102 C TYR A 96 4.605 4.793 -2.455 1.00 0.00 C ATOM 103 O TYR A 96 5.426 4.486 -1.592 1.00 0.00 O ATOM 104 CB TYR A 96 2.967 6.045 -0.995 1.00 0.00 C ATOM 105 CG TYR A 96 2.591 7.412 -1.527 1.00 0.00 C ATOM 106 CD1 TYR A 96 1.365 7.595 -2.191 1.00 0.00 C ATOM 107 CD2 TYR A 96 3.457 8.505 -1.343 1.00 0.00 C ATOM 108 CE1 TYR A 96 1.006 8.865 -2.669 1.00 0.00 C ATOM 109 CE2 TYR A 96 3.094 9.777 -1.818 1.00 0.00 C ATOM 110 CZ TYR A 96 1.870 9.957 -2.481 1.00 0.00 C ATOM 111 OH TYR A 96 1.519 11.189 -2.943 1.00 0.00 O ATOM 0 H TYR A 96 3.276 3.116 -1.149 1.00 0.00 H new ATOM 0 HA TYR A 96 2.599 5.299 -2.983 1.00 0.00 H new ATOM 0 HB2 TYR A 96 2.202 5.716 -0.292 1.00 0.00 H new ATOM 0 HB3 TYR A 96 3.899 6.127 -0.436 1.00 0.00 H new ATOM 0 HD1 TYR A 96 0.699 6.757 -2.333 1.00 0.00 H new ATOM 0 HD2 TYR A 96 4.401 8.367 -0.837 1.00 0.00 H new ATOM 0 HE1 TYR A 96 0.065 9.003 -3.181 1.00 0.00 H new ATOM 0 HE2 TYR A 96 3.757 10.617 -1.673 1.00 0.00 H new ATOM 0 HH TYR A 96 2.227 11.832 -2.730 1.00 0.00 H new ATOM 121 N SER A 97 4.936 4.975 -3.740 1.00 0.00 N ATOM 122 CA SER A 97 6.306 4.841 -4.209 1.00 0.00 C ATOM 123 C SER A 97 7.145 5.996 -3.663 1.00 0.00 C ATOM 124 O SER A 97 6.600 6.962 -3.124 1.00 0.00 O ATOM 125 CB SER A 97 6.327 4.823 -5.740 1.00 0.00 C ATOM 126 OG SER A 97 7.618 4.480 -6.196 1.00 0.00 O ATOM 0 H SER A 97 4.265 5.216 -4.470 1.00 0.00 H new ATOM 0 HA SER A 97 6.731 3.904 -3.850 1.00 0.00 H new ATOM 0 HB2 SER A 97 5.597 4.106 -6.115 1.00 0.00 H new ATOM 0 HB3 SER A 97 6.042 5.801 -6.128 1.00 0.00 H new ATOM 0 HG SER A 97 7.924 3.671 -5.735 1.00 0.00 H new ATOM 132 N TYR A 98 8.472 5.898 -3.800 1.00 0.00 N ATOM 133 CA TYR A 98 9.377 6.926 -3.312 1.00 0.00 C ATOM 134 C TYR A 98 10.795 6.619 -3.788 1.00 0.00 C ATOM 135 O TYR A 98 11.131 5.462 -4.041 1.00 0.00 O ATOM 136 CB TYR A 98 9.280 6.999 -1.774 1.00 0.00 C ATOM 137 CG TYR A 98 10.597 6.844 -1.034 1.00 0.00 C ATOM 138 CD1 TYR A 98 11.089 5.560 -0.736 1.00 0.00 C ATOM 139 CD2 TYR A 98 11.312 7.983 -0.611 1.00 0.00 C ATOM 140 CE1 TYR A 98 12.284 5.415 -0.014 1.00 0.00 C ATOM 141 CE2 TYR A 98 12.508 7.833 0.106 1.00 0.00 C ATOM 142 CZ TYR A 98 12.994 6.552 0.408 1.00 0.00 C ATOM 143 OH TYR A 98 14.152 6.407 1.113 1.00 0.00 O ATOM 0 H TYR A 98 8.938 5.109 -4.249 1.00 0.00 H new ATOM 0 HA TYR A 98 9.101 7.903 -3.709 1.00 0.00 H new ATOM 0 HB2 TYR A 98 8.838 7.957 -1.499 1.00 0.00 H new ATOM 0 HB3 TYR A 98 8.596 6.222 -1.432 1.00 0.00 H new ATOM 0 HD1 TYR A 98 10.547 4.685 -1.063 1.00 0.00 H new ATOM 0 HD2 TYR A 98 10.939 8.971 -0.839 1.00 0.00 H new ATOM 0 HE1 TYR A 98 12.658 4.429 0.217 1.00 0.00 H new ATOM 0 HE2 TYR A 98 13.057 8.706 0.427 1.00 0.00 H new ATOM 0 HH TYR A 98 14.799 7.083 0.822 1.00 0.00 H new ATOM 153 N VAL A 99 11.621 7.663 -3.918 1.00 0.00 N ATOM 154 CA VAL A 99 12.993 7.513 -4.372 1.00 0.00 C ATOM 155 C VAL A 99 13.871 7.089 -3.198 1.00 0.00 C ATOM 156 O VAL A 99 14.164 7.896 -2.318 1.00 0.00 O ATOM 157 CB VAL A 99 13.481 8.842 -4.975 1.00 0.00 C ATOM 158 CG1 VAL A 99 14.923 8.687 -5.468 1.00 0.00 C ATOM 159 CG2 VAL A 99 12.582 9.234 -6.153 1.00 0.00 C ATOM 0 H VAL A 99 11.353 8.625 -3.711 1.00 0.00 H new ATOM 0 HA VAL A 99 13.051 6.744 -5.142 1.00 0.00 H new ATOM 0 HB VAL A 99 13.440 9.618 -4.211 1.00 0.00 H new ATOM 0 HG11 VAL A 99 15.265 9.630 -5.894 1.00 0.00 H new ATOM 0 HG12 VAL A 99 15.566 8.412 -4.632 1.00 0.00 H new ATOM 0 HG13 VAL A 99 14.966 7.908 -6.229 1.00 0.00 H new ATOM 0 HG21 VAL A 99 12.930 10.175 -6.578 1.00 0.00 H new ATOM 0 HG22 VAL A 99 12.620 8.455 -6.915 1.00 0.00 H new ATOM 0 HG23 VAL A 99 11.556 9.350 -5.805 1.00 0.00 H new ATOM 169 N ASP A 100 14.288 5.818 -3.193 1.00 0.00 N ATOM 170 CA ASP A 100 15.135 5.271 -2.137 1.00 0.00 C ATOM 171 C ASP A 100 16.588 5.696 -2.364 1.00 0.00 C ATOM 172 O ASP A 100 17.468 4.856 -2.551 1.00 0.00 O ATOM 173 CB ASP A 100 14.986 3.738 -2.097 1.00 0.00 C ATOM 174 CG ASP A 100 14.969 3.132 -3.496 1.00 0.00 C ATOM 175 OD1 ASP A 100 15.741 3.625 -4.347 1.00 0.00 O ATOM 176 OD2 ASP A 100 14.179 2.181 -3.695 1.00 0.00 O ATOM 0 H ASP A 100 14.047 5.145 -3.920 1.00 0.00 H new ATOM 0 HA ASP A 100 14.823 5.663 -1.169 1.00 0.00 H new ATOM 0 HB2 ASP A 100 15.808 3.308 -1.525 1.00 0.00 H new ATOM 0 HB3 ASP A 100 14.065 3.476 -1.577 1.00 0.00 H new ATOM 181 N GLU A 101 16.819 7.020 -2.335 1.00 0.00 N ATOM 182 CA GLU A 101 18.131 7.625 -2.524 1.00 0.00 C ATOM 183 C GLU A 101 18.694 7.258 -3.899 1.00 0.00 C ATOM 184 O GLU A 101 18.590 8.046 -4.836 1.00 0.00 O ATOM 185 CB GLU A 101 19.080 7.203 -1.386 1.00 0.00 C ATOM 186 CG GLU A 101 18.645 7.860 -0.065 1.00 0.00 C ATOM 187 CD GLU A 101 17.381 7.211 0.494 1.00 0.00 C ATOM 188 OE1 GLU A 101 17.477 6.032 0.893 1.00 0.00 O ATOM 189 OE2 GLU A 101 16.338 7.908 0.512 1.00 0.00 O ATOM 0 H GLU A 101 16.080 7.704 -2.176 1.00 0.00 H new ATOM 0 HA GLU A 101 18.034 8.710 -2.489 1.00 0.00 H new ATOM 0 HB2 GLU A 101 19.075 6.118 -1.281 1.00 0.00 H new ATOM 0 HB3 GLU A 101 20.102 7.495 -1.627 1.00 0.00 H new ATOM 0 HG2 GLU A 101 19.450 7.779 0.665 1.00 0.00 H new ATOM 0 HG3 GLU A 101 18.468 8.923 -0.227 1.00 0.00 H new ATOM 196 N ASN A 102 19.290 6.068 -4.012 1.00 0.00 N ATOM 197 CA ASN A 102 19.884 5.601 -5.262 1.00 0.00 C ATOM 198 C ASN A 102 19.773 4.078 -5.355 1.00 0.00 C ATOM 199 O ASN A 102 20.663 3.424 -5.897 1.00 0.00 O ATOM 200 CB ASN A 102 21.359 6.034 -5.323 1.00 0.00 C ATOM 201 CG ASN A 102 21.496 7.553 -5.381 1.00 0.00 C ATOM 202 OD1 ASN A 102 21.376 8.149 -6.449 1.00 0.00 O ATOM 203 ND2 ASN A 102 21.750 8.179 -4.231 1.00 0.00 N ATOM 0 H ASN A 102 19.373 5.405 -3.241 1.00 0.00 H new ATOM 0 HA ASN A 102 19.349 6.041 -6.104 1.00 0.00 H new ATOM 0 HB2 ASN A 102 21.887 5.653 -4.449 1.00 0.00 H new ATOM 0 HB3 ASN A 102 21.833 5.592 -6.199 1.00 0.00 H new ATOM 0 HD21 ASN A 102 21.853 9.194 -4.215 1.00 0.00 H new ATOM 0 HD22 ASN A 102 21.842 7.643 -3.368 1.00 0.00 H new ATOM 210 N GLY A 103 18.680 3.510 -4.826 1.00 0.00 N ATOM 211 CA GLY A 103 18.469 2.073 -4.855 1.00 0.00 C ATOM 212 C GLY A 103 17.794 1.667 -6.161 1.00 0.00 C ATOM 213 O GLY A 103 18.463 1.256 -7.108 1.00 0.00 O ATOM 0 H GLY A 103 17.931 4.034 -4.373 1.00 0.00 H new ATOM 0 HA2 GLY A 103 19.423 1.556 -4.754 1.00 0.00 H new ATOM 0 HA3 GLY A 103 17.852 1.771 -4.009 1.00 0.00 H new ATOM 217 N GLU A 104 16.463 1.782 -6.202 1.00 0.00 N ATOM 218 CA GLU A 104 15.680 1.422 -7.376 1.00 0.00 C ATOM 219 C GLU A 104 14.276 2.040 -7.282 1.00 0.00 C ATOM 220 O GLU A 104 13.335 1.531 -7.891 1.00 0.00 O ATOM 221 CB GLU A 104 15.601 -0.111 -7.480 1.00 0.00 C ATOM 222 CG GLU A 104 15.240 -0.711 -6.111 1.00 0.00 C ATOM 223 CD GLU A 104 14.837 -2.176 -6.234 1.00 0.00 C ATOM 224 OE1 GLU A 104 14.277 -2.532 -7.293 1.00 0.00 O ATOM 225 OE2 GLU A 104 15.086 -2.919 -5.264 1.00 0.00 O ATOM 0 H GLU A 104 15.904 2.127 -5.422 1.00 0.00 H new ATOM 0 HA GLU A 104 16.160 1.812 -8.274 1.00 0.00 H new ATOM 0 HB2 GLU A 104 14.853 -0.396 -8.220 1.00 0.00 H new ATOM 0 HB3 GLU A 104 16.556 -0.511 -7.821 1.00 0.00 H new ATOM 0 HG2 GLU A 104 16.092 -0.622 -5.437 1.00 0.00 H new ATOM 0 HG3 GLU A 104 14.422 -0.143 -5.668 1.00 0.00 H new ATOM 232 N THR A 105 14.154 3.142 -6.514 1.00 0.00 N ATOM 233 CA THR A 105 12.893 3.858 -6.300 1.00 0.00 C ATOM 234 C THR A 105 11.705 2.884 -6.208 1.00 0.00 C ATOM 235 O THR A 105 10.761 2.958 -6.992 1.00 0.00 O ATOM 236 CB THR A 105 12.703 4.938 -7.392 1.00 0.00 C ATOM 237 OG1 THR A 105 11.467 5.595 -7.203 1.00 0.00 O ATOM 238 CG2 THR A 105 12.749 4.332 -8.803 1.00 0.00 C ATOM 0 H THR A 105 14.943 3.560 -6.021 1.00 0.00 H new ATOM 0 HA THR A 105 12.935 4.372 -5.340 1.00 0.00 H new ATOM 0 HB THR A 105 13.523 5.650 -7.302 1.00 0.00 H new ATOM 0 HG1 THR A 105 10.746 4.932 -7.173 1.00 0.00 H new ATOM 0 HG21 THR A 105 12.612 5.121 -9.542 1.00 0.00 H new ATOM 0 HG22 THR A 105 13.714 3.850 -8.961 1.00 0.00 H new ATOM 0 HG23 THR A 105 11.954 3.594 -8.908 1.00 0.00 H new ATOM 246 N LYS A 106 11.759 1.970 -5.229 1.00 0.00 N ATOM 247 CA LYS A 106 10.698 0.994 -5.032 1.00 0.00 C ATOM 248 C LYS A 106 9.523 1.642 -4.292 1.00 0.00 C ATOM 249 O LYS A 106 8.599 2.147 -4.929 1.00 0.00 O ATOM 250 CB LYS A 106 11.249 -0.217 -4.262 1.00 0.00 C ATOM 251 CG LYS A 106 11.762 -1.272 -5.250 1.00 0.00 C ATOM 252 CD LYS A 106 10.594 -2.154 -5.714 1.00 0.00 C ATOM 253 CE LYS A 106 11.030 -3.040 -6.886 1.00 0.00 C ATOM 254 NZ LYS A 106 12.130 -3.943 -6.503 1.00 0.00 N ATOM 0 H LYS A 106 12.530 1.893 -4.565 1.00 0.00 H new ATOM 0 HA LYS A 106 10.333 0.646 -5.998 1.00 0.00 H new ATOM 0 HB2 LYS A 106 12.056 0.098 -3.601 1.00 0.00 H new ATOM 0 HB3 LYS A 106 10.469 -0.644 -3.632 1.00 0.00 H new ATOM 0 HG2 LYS A 106 12.227 -0.786 -6.108 1.00 0.00 H new ATOM 0 HG3 LYS A 106 12.529 -1.886 -4.777 1.00 0.00 H new ATOM 0 HD2 LYS A 106 10.248 -2.776 -4.888 1.00 0.00 H new ATOM 0 HD3 LYS A 106 9.754 -1.528 -6.015 1.00 0.00 H new ATOM 0 HE2 LYS A 106 10.181 -3.628 -7.234 1.00 0.00 H new ATOM 0 HE3 LYS A 106 11.347 -2.413 -7.719 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 13.009 -3.634 -6.964 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 12.254 -3.920 -5.471 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 11.904 -4.913 -6.803 1.00 0.00 H new ATOM 268 N THR A 107 9.552 1.622 -2.952 1.00 0.00 N ATOM 269 CA THR A 107 8.468 2.171 -2.147 1.00 0.00 C ATOM 270 C THR A 107 8.892 2.227 -0.677 1.00 0.00 C ATOM 271 O THR A 107 10.014 1.853 -0.340 1.00 0.00 O ATOM 272 CB THR A 107 7.210 1.295 -2.331 1.00 0.00 C ATOM 273 OG1 THR A 107 6.138 1.824 -1.579 1.00 0.00 O ATOM 274 CG2 THR A 107 7.495 -0.140 -1.869 1.00 0.00 C ATOM 0 H THR A 107 10.320 1.229 -2.408 1.00 0.00 H new ATOM 0 HA THR A 107 8.238 3.186 -2.470 1.00 0.00 H new ATOM 0 HB THR A 107 6.942 1.288 -3.388 1.00 0.00 H new ATOM 0 HG1 THR A 107 6.042 2.780 -1.774 1.00 0.00 H new ATOM 0 HG21 THR A 107 6.601 -0.750 -2.003 1.00 0.00 H new ATOM 0 HG22 THR A 107 8.311 -0.557 -2.460 1.00 0.00 H new ATOM 0 HG23 THR A 107 7.776 -0.134 -0.816 1.00 0.00 H new ATOM 282 N TRP A 108 7.983 2.693 0.189 1.00 0.00 N ATOM 283 CA TRP A 108 8.244 2.785 1.615 1.00 0.00 C ATOM 284 C TRP A 108 8.161 1.392 2.240 1.00 0.00 C ATOM 285 O TRP A 108 9.188 0.744 2.433 1.00 0.00 O ATOM 286 CB TRP A 108 7.225 3.739 2.263 1.00 0.00 C ATOM 287 CG TRP A 108 7.359 5.184 1.882 1.00 0.00 C ATOM 288 CD1 TRP A 108 8.470 5.778 1.415 1.00 0.00 C ATOM 289 CD2 TRP A 108 6.353 6.244 1.938 1.00 0.00 C ATOM 290 NE1 TRP A 108 8.251 7.111 1.172 1.00 0.00 N ATOM 291 CE2 TRP A 108 6.952 7.461 1.480 1.00 0.00 C ATOM 292 CE3 TRP A 108 4.994 6.310 2.332 1.00 0.00 C ATOM 293 CZ2 TRP A 108 6.249 8.668 1.420 1.00 0.00 C ATOM 294 CZ3 TRP A 108 4.281 7.528 2.270 1.00 0.00 C ATOM 295 CH2 TRP A 108 4.909 8.702 1.815 1.00 0.00 C ATOM 0 H TRP A 108 7.054 3.013 -0.086 1.00 0.00 H new ATOM 0 HA TRP A 108 9.245 3.181 1.785 1.00 0.00 H new ATOM 0 HB2 TRP A 108 6.222 3.404 2.000 1.00 0.00 H new ATOM 0 HB3 TRP A 108 7.315 3.657 3.346 1.00 0.00 H new ATOM 0 HD1 TRP A 108 9.411 5.273 1.252 1.00 0.00 H new ATOM 0 HE1 TRP A 108 8.954 7.756 0.812 1.00 0.00 H new ATOM 0 HE3 TRP A 108 4.497 5.418 2.684 1.00 0.00 H new ATOM 0 HZ2 TRP A 108 6.737 9.566 1.071 1.00 0.00 H new ATOM 0 HZ3 TRP A 108 3.245 7.558 2.574 1.00 0.00 H new ATOM 0 HH2 TRP A 108 4.356 9.629 1.771 1.00 0.00 H new ATOM 306 N THR A 109 6.926 0.945 2.555 1.00 0.00 N ATOM 307 CA THR A 109 6.675 -0.355 3.184 1.00 0.00 C ATOM 308 C THR A 109 7.726 -0.629 4.275 1.00 0.00 C ATOM 309 O THR A 109 8.116 0.293 4.991 1.00 0.00 O ATOM 310 CB THR A 109 6.642 -1.459 2.105 1.00 0.00 C ATOM 311 OG1 THR A 109 7.904 -1.573 1.485 1.00 0.00 O ATOM 312 CG2 THR A 109 5.586 -1.117 1.048 1.00 0.00 C ATOM 0 H THR A 109 6.078 1.483 2.377 1.00 0.00 H new ATOM 0 HA THR A 109 5.701 -0.348 3.674 1.00 0.00 H new ATOM 0 HB THR A 109 6.391 -2.407 2.581 1.00 0.00 H new ATOM 0 HG1 THR A 109 7.871 -2.277 0.804 1.00 0.00 H new ATOM 0 HG21 THR A 109 5.565 -1.898 0.288 1.00 0.00 H new ATOM 0 HG22 THR A 109 4.607 -1.046 1.522 1.00 0.00 H new ATOM 0 HG23 THR A 109 5.834 -0.164 0.581 1.00 0.00 H new ATOM 320 N GLY A 110 8.177 -1.893 4.400 1.00 0.00 N ATOM 321 CA GLY A 110 9.177 -2.280 5.389 1.00 0.00 C ATOM 322 C GLY A 110 8.878 -1.643 6.745 1.00 0.00 C ATOM 323 O GLY A 110 7.887 -1.984 7.390 1.00 0.00 O ATOM 0 H GLY A 110 7.854 -2.664 3.816 1.00 0.00 H new ATOM 0 HA2 GLY A 110 9.195 -3.365 5.489 1.00 0.00 H new ATOM 0 HA3 GLY A 110 10.167 -1.975 5.050 1.00 0.00 H new ATOM 327 N GLN A 111 9.742 -0.713 7.171 1.00 0.00 N ATOM 328 CA GLN A 111 9.576 -0.010 8.430 1.00 0.00 C ATOM 329 C GLN A 111 10.375 1.291 8.379 1.00 0.00 C ATOM 330 O GLN A 111 11.487 1.316 7.854 1.00 0.00 O ATOM 331 CB GLN A 111 10.053 -0.909 9.582 1.00 0.00 C ATOM 332 CG GLN A 111 9.883 -0.193 10.930 1.00 0.00 C ATOM 333 CD GLN A 111 8.441 0.262 11.139 1.00 0.00 C ATOM 334 OE1 GLN A 111 8.159 1.458 11.132 1.00 0.00 O ATOM 335 NE2 GLN A 111 7.532 -0.693 11.324 1.00 0.00 N ATOM 0 H GLN A 111 10.571 -0.434 6.647 1.00 0.00 H new ATOM 0 HA GLN A 111 8.526 0.231 8.598 1.00 0.00 H new ATOM 0 HB2 GLN A 111 9.485 -1.839 9.584 1.00 0.00 H new ATOM 0 HB3 GLN A 111 11.100 -1.175 9.434 1.00 0.00 H new ATOM 0 HG2 GLN A 111 10.176 -0.862 11.739 1.00 0.00 H new ATOM 0 HG3 GLN A 111 10.548 0.669 10.973 1.00 0.00 H new ATOM 0 HE21 GLN A 111 7.814 -1.673 11.322 1.00 0.00 H new ATOM 0 HE22 GLN A 111 6.553 -0.444 11.468 1.00 0.00 H new ATOM 344 N GLY A 112 9.802 2.370 8.920 1.00 0.00 N ATOM 345 CA GLY A 112 10.455 3.667 8.931 1.00 0.00 C ATOM 346 C GLY A 112 9.637 4.643 9.767 1.00 0.00 C ATOM 347 O GLY A 112 8.435 4.787 9.551 1.00 0.00 O ATOM 0 H GLY A 112 8.880 2.362 9.357 1.00 0.00 H new ATOM 0 HA2 GLY A 112 11.461 3.576 9.341 1.00 0.00 H new ATOM 0 HA3 GLY A 112 10.558 4.042 7.913 1.00 0.00 H new ATOM 351 N ARG A 113 10.290 5.313 10.725 1.00 0.00 N ATOM 352 CA ARG A 113 9.620 6.263 11.606 1.00 0.00 C ATOM 353 C ARG A 113 9.798 7.687 11.073 1.00 0.00 C ATOM 354 O ARG A 113 10.001 8.614 11.854 1.00 0.00 O ATOM 355 CB ARG A 113 10.195 6.136 13.025 1.00 0.00 C ATOM 356 CG ARG A 113 10.184 4.670 13.493 1.00 0.00 C ATOM 357 CD ARG A 113 8.760 4.105 13.447 1.00 0.00 C ATOM 358 NE ARG A 113 8.699 2.792 14.099 1.00 0.00 N ATOM 359 CZ ARG A 113 7.583 2.042 14.136 1.00 0.00 C ATOM 360 NH1 ARG A 113 6.452 2.488 13.571 1.00 0.00 N ATOM 361 NH2 ARG A 113 7.602 0.846 14.739 1.00 0.00 N ATOM 0 H ARG A 113 11.288 5.210 10.906 1.00 0.00 H new ATOM 0 HA ARG A 113 8.553 6.043 11.638 1.00 0.00 H new ATOM 0 HB2 ARG A 113 11.215 6.520 13.044 1.00 0.00 H new ATOM 0 HB3 ARG A 113 9.611 6.746 13.714 1.00 0.00 H new ATOM 0 HG2 ARG A 113 10.839 4.074 12.858 1.00 0.00 H new ATOM 0 HG3 ARG A 113 10.576 4.603 14.508 1.00 0.00 H new ATOM 0 HD2 ARG A 113 8.075 4.794 13.941 1.00 0.00 H new ATOM 0 HD3 ARG A 113 8.432 4.017 12.411 1.00 0.00 H new ATOM 0 HE ARG A 113 9.542 2.431 14.545 1.00 0.00 H new ATOM 0 HH11 ARG A 113 6.436 3.398 13.111 1.00 0.00 H new ATOM 0 HH12 ARG A 113 5.607 1.917 13.601 1.00 0.00 H new ATOM 0 HH21 ARG A 113 8.462 0.505 15.169 1.00 0.00 H new ATOM 0 HH22 ARG A 113 6.757 0.276 14.768 1.00 0.00 H new ATOM 375 N THR A 114 9.715 7.847 9.738 1.00 0.00 N ATOM 376 CA THR A 114 9.855 9.146 9.072 1.00 0.00 C ATOM 377 C THR A 114 10.968 9.982 9.730 1.00 0.00 C ATOM 378 O THR A 114 10.677 10.963 10.416 1.00 0.00 O ATOM 379 CB THR A 114 8.505 9.883 9.114 1.00 0.00 C ATOM 380 OG1 THR A 114 8.084 10.050 10.451 1.00 0.00 O ATOM 381 CG2 THR A 114 7.451 9.072 8.355 1.00 0.00 C ATOM 0 H THR A 114 9.548 7.074 9.094 1.00 0.00 H new ATOM 0 HA THR A 114 10.141 8.990 8.032 1.00 0.00 H new ATOM 0 HB THR A 114 8.625 10.861 8.648 1.00 0.00 H new ATOM 0 HG1 THR A 114 8.779 10.520 10.957 1.00 0.00 H new ATOM 0 HG21 THR A 114 6.496 9.597 8.387 1.00 0.00 H new ATOM 0 HG22 THR A 114 7.764 8.949 7.318 1.00 0.00 H new ATOM 0 HG23 THR A 114 7.342 8.092 8.819 1.00 0.00 H new ATOM 389 N PRO A 115 12.243 9.594 9.527 1.00 0.00 N ATOM 390 CA PRO A 115 13.374 10.281 10.123 1.00 0.00 C ATOM 391 C PRO A 115 13.478 11.721 9.608 1.00 0.00 C ATOM 392 O PRO A 115 13.069 12.658 10.295 1.00 0.00 O ATOM 393 CB PRO A 115 14.609 9.446 9.751 1.00 0.00 C ATOM 394 CG PRO A 115 14.138 8.372 8.762 1.00 0.00 C ATOM 395 CD PRO A 115 12.613 8.456 8.708 1.00 0.00 C ATOM 0 HA PRO A 115 13.273 10.366 11.205 1.00 0.00 H new ATOM 0 HB2 PRO A 115 15.379 10.074 9.302 1.00 0.00 H new ATOM 0 HB3 PRO A 115 15.048 8.989 10.638 1.00 0.00 H new ATOM 0 HG2 PRO A 115 14.569 8.540 7.775 1.00 0.00 H new ATOM 0 HG3 PRO A 115 14.459 7.382 9.085 1.00 0.00 H new ATOM 0 HD2 PRO A 115 12.266 8.585 7.683 1.00 0.00 H new ATOM 0 HD3 PRO A 115 12.159 7.540 9.086 1.00 0.00 H new ATOM 403 N ALA A 116 14.029 11.898 8.402 1.00 0.00 N ATOM 404 CA ALA A 116 14.196 13.219 7.812 1.00 0.00 C ATOM 405 C ALA A 116 14.388 13.102 6.300 1.00 0.00 C ATOM 406 O ALA A 116 15.016 13.962 5.691 1.00 0.00 O ATOM 407 CB ALA A 116 15.399 13.913 8.459 1.00 0.00 C ATOM 0 H ALA A 116 14.367 11.134 7.817 1.00 0.00 H new ATOM 0 HA ALA A 116 13.302 13.815 7.994 1.00 0.00 H new ATOM 0 HB1 ALA A 116 15.528 14.902 8.020 1.00 0.00 H new ATOM 0 HB2 ALA A 116 15.229 14.011 9.531 1.00 0.00 H new ATOM 0 HB3 ALA A 116 16.297 13.320 8.287 1.00 0.00 H new ATOM 413 N VAL A 117 13.838 12.038 5.700 1.00 0.00 N ATOM 414 CA VAL A 117 13.930 11.825 4.265 1.00 0.00 C ATOM 415 C VAL A 117 12.625 12.275 3.622 1.00 0.00 C ATOM 416 O VAL A 117 12.594 13.271 2.901 1.00 0.00 O ATOM 417 CB VAL A 117 14.202 10.339 3.974 1.00 0.00 C ATOM 418 CG1 VAL A 117 14.166 10.091 2.464 1.00 0.00 C ATOM 419 CG2 VAL A 117 15.579 9.947 4.508 1.00 0.00 C ATOM 0 H VAL A 117 13.323 11.312 6.198 1.00 0.00 H new ATOM 0 HA VAL A 117 14.753 12.405 3.849 1.00 0.00 H new ATOM 0 HB VAL A 117 13.435 9.740 4.464 1.00 0.00 H new ATOM 0 HG11 VAL A 117 14.359 9.037 2.264 1.00 0.00 H new ATOM 0 HG12 VAL A 117 13.184 10.360 2.074 1.00 0.00 H new ATOM 0 HG13 VAL A 117 14.929 10.699 1.977 1.00 0.00 H new ATOM 0 HG21 VAL A 117 15.764 8.894 4.298 1.00 0.00 H new ATOM 0 HG22 VAL A 117 16.344 10.554 4.023 1.00 0.00 H new ATOM 0 HG23 VAL A 117 15.613 10.114 5.585 1.00 0.00 H new ATOM 429 N ILE A 118 11.546 11.533 3.887 1.00 0.00 N ATOM 430 CA ILE A 118 10.243 11.841 3.321 1.00 0.00 C ATOM 431 C ILE A 118 9.692 13.122 3.950 1.00 0.00 C ATOM 432 O ILE A 118 9.038 13.907 3.274 1.00 0.00 O ATOM 433 CB ILE A 118 9.281 10.648 3.518 1.00 0.00 C ATOM 434 CG1 ILE A 118 8.984 10.410 5.011 1.00 0.00 C ATOM 435 CG2 ILE A 118 9.909 9.384 2.921 1.00 0.00 C ATOM 436 CD1 ILE A 118 7.639 11.046 5.379 1.00 0.00 C ATOM 0 H ILE A 118 11.556 10.713 4.493 1.00 0.00 H new ATOM 0 HA ILE A 118 10.343 12.010 2.249 1.00 0.00 H new ATOM 0 HB ILE A 118 8.343 10.879 3.013 1.00 0.00 H new ATOM 0 HG12 ILE A 118 8.961 9.341 5.221 1.00 0.00 H new ATOM 0 HG13 ILE A 118 9.779 10.838 5.622 1.00 0.00 H new ATOM 0 HG21 ILE A 118 9.232 8.541 3.059 1.00 0.00 H new ATOM 0 HG22 ILE A 118 10.088 9.535 1.856 1.00 0.00 H new ATOM 0 HG23 ILE A 118 10.854 9.176 3.422 1.00 0.00 H new ATOM 0 HD11 ILE A 118 7.433 10.875 6.436 1.00 0.00 H new ATOM 0 HD12 ILE A 118 7.678 12.118 5.185 1.00 0.00 H new ATOM 0 HD13 ILE A 118 6.848 10.598 4.778 1.00 0.00 H new ATOM 448 N LYS A 119 9.964 13.329 5.243 1.00 0.00 N ATOM 449 CA LYS A 119 9.495 14.505 5.956 1.00 0.00 C ATOM 450 C LYS A 119 10.141 15.756 5.363 1.00 0.00 C ATOM 451 O LYS A 119 9.460 16.741 5.102 1.00 0.00 O ATOM 452 CB LYS A 119 9.826 14.344 7.443 1.00 0.00 C ATOM 453 CG LYS A 119 9.495 15.634 8.205 1.00 0.00 C ATOM 454 CD LYS A 119 9.215 15.323 9.686 1.00 0.00 C ATOM 455 CE LYS A 119 10.315 14.426 10.279 1.00 0.00 C ATOM 456 NZ LYS A 119 11.649 15.036 10.143 1.00 0.00 N ATOM 0 H LYS A 119 10.512 12.686 5.815 1.00 0.00 H new ATOM 0 HA LYS A 119 8.415 14.612 5.853 1.00 0.00 H new ATOM 0 HB2 LYS A 119 9.260 13.511 7.861 1.00 0.00 H new ATOM 0 HB3 LYS A 119 10.882 14.103 7.563 1.00 0.00 H new ATOM 0 HG2 LYS A 119 10.326 16.335 8.124 1.00 0.00 H new ATOM 0 HG3 LYS A 119 8.626 16.116 7.757 1.00 0.00 H new ATOM 0 HD2 LYS A 119 9.155 16.253 10.251 1.00 0.00 H new ATOM 0 HD3 LYS A 119 8.248 14.829 9.781 1.00 0.00 H new ATOM 0 HE2 LYS A 119 10.105 14.241 11.333 1.00 0.00 H new ATOM 0 HE3 LYS A 119 10.305 13.458 9.778 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 12.373 14.361 10.460 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 11.818 15.282 9.147 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 11.698 15.896 10.726 1.00 0.00 H new ATOM 470 N LYS A 120 11.460 15.711 5.147 1.00 0.00 N ATOM 471 CA LYS A 120 12.176 16.833 4.567 1.00 0.00 C ATOM 472 C LYS A 120 11.691 17.065 3.139 1.00 0.00 C ATOM 473 O LYS A 120 11.409 18.196 2.756 1.00 0.00 O ATOM 474 CB LYS A 120 13.681 16.541 4.585 1.00 0.00 C ATOM 475 CG LYS A 120 14.432 17.651 3.840 1.00 0.00 C ATOM 476 CD LYS A 120 15.942 17.421 3.953 1.00 0.00 C ATOM 477 CE LYS A 120 16.661 18.147 2.810 1.00 0.00 C ATOM 478 NZ LYS A 120 16.366 19.591 2.820 1.00 0.00 N ATOM 0 H LYS A 120 12.046 14.906 5.368 1.00 0.00 H new ATOM 0 HA LYS A 120 11.986 17.734 5.150 1.00 0.00 H new ATOM 0 HB2 LYS A 120 14.036 16.475 5.613 1.00 0.00 H new ATOM 0 HB3 LYS A 120 13.880 15.577 4.117 1.00 0.00 H new ATOM 0 HG2 LYS A 120 14.134 17.664 2.792 1.00 0.00 H new ATOM 0 HG3 LYS A 120 14.171 18.623 4.258 1.00 0.00 H new ATOM 0 HD2 LYS A 120 16.305 17.786 4.914 1.00 0.00 H new ATOM 0 HD3 LYS A 120 16.161 16.354 3.914 1.00 0.00 H new ATOM 0 HE2 LYS A 120 17.736 17.993 2.899 1.00 0.00 H new ATOM 0 HE3 LYS A 120 16.355 17.718 1.856 1.00 0.00 H new ATOM 0 HZ1 LYS A 120 15.794 19.834 1.986 1.00 0.00 H new ATOM 0 HZ2 LYS A 120 15.839 19.832 3.684 1.00 0.00 H new ATOM 0 HZ3 LYS A 120 17.257 20.127 2.797 1.00 0.00 H new ATOM 492 N ALA A 121 11.605 15.988 2.353 1.00 0.00 N ATOM 493 CA ALA A 121 11.186 16.071 0.962 1.00 0.00 C ATOM 494 C ALA A 121 9.764 16.632 0.846 1.00 0.00 C ATOM 495 O ALA A 121 9.474 17.364 -0.088 1.00 0.00 O ATOM 496 CB ALA A 121 11.274 14.683 0.333 1.00 0.00 C ATOM 0 H ALA A 121 11.824 15.042 2.666 1.00 0.00 H new ATOM 0 HA ALA A 121 11.848 16.754 0.429 1.00 0.00 H new ATOM 0 HB1 ALA A 121 10.962 14.736 -0.710 1.00 0.00 H new ATOM 0 HB2 ALA A 121 12.302 14.324 0.386 1.00 0.00 H new ATOM 0 HB3 ALA A 121 10.621 13.997 0.873 1.00 0.00 H new ATOM 502 N MET A 122 8.877 16.290 1.789 1.00 0.00 N ATOM 503 CA MET A 122 7.499 16.770 1.756 1.00 0.00 C ATOM 504 C MET A 122 7.471 18.300 1.746 1.00 0.00 C ATOM 505 O MET A 122 6.725 18.898 0.974 1.00 0.00 O ATOM 506 CB MET A 122 6.731 16.229 2.969 1.00 0.00 C ATOM 507 CG MET A 122 6.116 14.868 2.632 1.00 0.00 C ATOM 508 SD MET A 122 5.492 13.960 4.071 1.00 0.00 S ATOM 509 CE MET A 122 4.229 15.128 4.635 1.00 0.00 C ATOM 0 H MET A 122 9.093 15.684 2.580 1.00 0.00 H new ATOM 0 HA MET A 122 7.019 16.411 0.846 1.00 0.00 H new ATOM 0 HB2 MET A 122 7.402 16.133 3.822 1.00 0.00 H new ATOM 0 HB3 MET A 122 5.948 16.930 3.257 1.00 0.00 H new ATOM 0 HG2 MET A 122 5.298 15.016 1.927 1.00 0.00 H new ATOM 0 HG3 MET A 122 6.865 14.258 2.128 1.00 0.00 H new ATOM 0 HE1 MET A 122 3.630 14.665 5.419 1.00 0.00 H new ATOM 0 HE2 MET A 122 4.711 16.024 5.027 1.00 0.00 H new ATOM 0 HE3 MET A 122 3.585 15.399 3.799 1.00 0.00 H new ATOM 519 N ASP A 123 8.279 18.929 2.606 1.00 0.00 N ATOM 520 CA ASP A 123 8.318 20.381 2.706 1.00 0.00 C ATOM 521 C ASP A 123 9.173 20.976 1.587 1.00 0.00 C ATOM 522 O ASP A 123 8.722 21.861 0.863 1.00 0.00 O ATOM 523 CB ASP A 123 8.878 20.780 4.078 1.00 0.00 C ATOM 524 CG ASP A 123 8.009 20.244 5.211 1.00 0.00 C ATOM 525 OD1 ASP A 123 6.787 20.494 5.159 1.00 0.00 O ATOM 526 OD2 ASP A 123 8.588 19.595 6.111 1.00 0.00 O ATOM 0 H ASP A 123 8.915 18.448 3.242 1.00 0.00 H new ATOM 0 HA ASP A 123 7.307 20.773 2.601 1.00 0.00 H new ATOM 0 HB2 ASP A 123 9.893 20.397 4.184 1.00 0.00 H new ATOM 0 HB3 ASP A 123 8.938 21.866 4.146 1.00 0.00 H new ATOM 531 N GLU A 124 10.414 20.492 1.458 1.00 0.00 N ATOM 532 CA GLU A 124 11.352 20.993 0.464 1.00 0.00 C ATOM 533 C GLU A 124 10.776 20.841 -0.945 1.00 0.00 C ATOM 534 O GLU A 124 10.674 21.821 -1.685 1.00 0.00 O ATOM 535 CB GLU A 124 12.675 20.230 0.598 1.00 0.00 C ATOM 536 CG GLU A 124 13.755 20.895 -0.258 1.00 0.00 C ATOM 537 CD GLU A 124 15.001 20.024 -0.326 1.00 0.00 C ATOM 538 OE1 GLU A 124 14.937 19.002 -1.044 1.00 0.00 O ATOM 539 OE2 GLU A 124 15.993 20.394 0.341 1.00 0.00 O ATOM 0 H GLU A 124 10.789 19.744 2.041 1.00 0.00 H new ATOM 0 HA GLU A 124 11.530 22.055 0.634 1.00 0.00 H new ATOM 0 HB2 GLU A 124 12.988 20.210 1.642 1.00 0.00 H new ATOM 0 HB3 GLU A 124 12.540 19.194 0.286 1.00 0.00 H new ATOM 0 HG2 GLU A 124 13.372 21.070 -1.264 1.00 0.00 H new ATOM 0 HG3 GLU A 124 14.009 21.869 0.160 1.00 0.00 H new ATOM 546 N GLN A 125 10.407 19.609 -1.317 1.00 0.00 N ATOM 547 CA GLN A 125 9.868 19.331 -2.637 1.00 0.00 C ATOM 548 C GLN A 125 8.340 19.469 -2.602 1.00 0.00 C ATOM 549 O GLN A 125 7.831 20.584 -2.713 1.00 0.00 O ATOM 550 CB GLN A 125 10.321 17.934 -3.103 1.00 0.00 C ATOM 551 CG GLN A 125 11.854 17.829 -3.062 1.00 0.00 C ATOM 552 CD GLN A 125 12.514 18.895 -3.935 1.00 0.00 C ATOM 553 OE1 GLN A 125 12.000 19.239 -4.996 1.00 0.00 O ATOM 554 NE2 GLN A 125 13.656 19.416 -3.487 1.00 0.00 N ATOM 0 H GLN A 125 10.476 18.790 -0.712 1.00 0.00 H new ATOM 0 HA GLN A 125 10.249 20.051 -3.361 1.00 0.00 H new ATOM 0 HB2 GLN A 125 9.880 17.169 -2.464 1.00 0.00 H new ATOM 0 HB3 GLN A 125 9.964 17.747 -4.116 1.00 0.00 H new ATOM 0 HG2 GLN A 125 12.199 17.935 -2.034 1.00 0.00 H new ATOM 0 HG3 GLN A 125 12.161 16.839 -3.401 1.00 0.00 H new ATOM 0 HE21 GLN A 125 14.047 19.100 -2.599 1.00 0.00 H new ATOM 0 HE22 GLN A 125 14.139 20.131 -4.032 1.00 0.00 H new ATOM 563 N GLY A 126 7.613 18.343 -2.450 1.00 0.00 N ATOM 564 CA GLY A 126 6.150 18.344 -2.415 1.00 0.00 C ATOM 565 C GLY A 126 5.580 19.255 -3.502 1.00 0.00 C ATOM 566 O GLY A 126 4.810 20.168 -3.205 1.00 0.00 O ATOM 0 H GLY A 126 8.028 17.417 -2.349 1.00 0.00 H new ATOM 0 HA2 GLY A 126 5.778 17.329 -2.554 1.00 0.00 H new ATOM 0 HA3 GLY A 126 5.806 18.679 -1.437 1.00 0.00 H new ATOM 570 N LYS A 127 5.969 19.014 -4.758 1.00 0.00 N ATOM 571 CA LYS A 127 5.538 19.839 -5.873 1.00 0.00 C ATOM 572 C LYS A 127 4.174 19.386 -6.396 1.00 0.00 C ATOM 573 O LYS A 127 3.304 20.226 -6.622 1.00 0.00 O ATOM 574 CB LYS A 127 6.594 19.792 -6.988 1.00 0.00 C ATOM 575 CG LYS A 127 7.983 20.179 -6.444 1.00 0.00 C ATOM 576 CD LYS A 127 7.958 21.600 -5.860 1.00 0.00 C ATOM 577 CE LYS A 127 9.361 21.985 -5.375 1.00 0.00 C ATOM 578 NZ LYS A 127 9.308 22.562 -4.017 1.00 0.00 N ATOM 0 H LYS A 127 6.587 18.246 -5.021 1.00 0.00 H new ATOM 0 HA LYS A 127 5.432 20.868 -5.528 1.00 0.00 H new ATOM 0 HB2 LYS A 127 6.633 18.790 -7.416 1.00 0.00 H new ATOM 0 HB3 LYS A 127 6.311 20.472 -7.792 1.00 0.00 H new ATOM 0 HG2 LYS A 127 8.289 19.469 -5.675 1.00 0.00 H new ATOM 0 HG3 LYS A 127 8.722 20.121 -7.243 1.00 0.00 H new ATOM 0 HD2 LYS A 127 7.617 22.308 -6.615 1.00 0.00 H new ATOM 0 HD3 LYS A 127 7.250 21.651 -5.033 1.00 0.00 H new ATOM 0 HE2 LYS A 127 10.005 21.105 -5.376 1.00 0.00 H new ATOM 0 HE3 LYS A 127 9.804 22.705 -6.064 1.00 0.00 H new ATOM 0 HZ1 LYS A 127 10.240 22.471 -3.565 1.00 0.00 H new ATOM 0 HZ2 LYS A 127 9.049 23.567 -4.077 1.00 0.00 H new ATOM 0 HZ3 LYS A 127 8.598 22.054 -3.452 1.00 0.00 H new ATOM 592 N SER A 128 3.974 18.075 -6.602 1.00 0.00 N ATOM 593 CA SER A 128 2.705 17.586 -7.138 1.00 0.00 C ATOM 594 C SER A 128 2.533 16.083 -6.905 1.00 0.00 C ATOM 595 O SER A 128 2.008 15.389 -7.774 1.00 0.00 O ATOM 596 CB SER A 128 2.643 17.911 -8.637 1.00 0.00 C ATOM 597 OG SER A 128 3.773 17.369 -9.287 1.00 0.00 O ATOM 0 H SER A 128 4.664 17.350 -6.408 1.00 0.00 H new ATOM 0 HA SER A 128 1.888 18.084 -6.615 1.00 0.00 H new ATOM 0 HB2 SER A 128 1.731 17.502 -9.071 1.00 0.00 H new ATOM 0 HB3 SER A 128 2.609 18.991 -8.784 1.00 0.00 H new ATOM 0 HG SER A 128 3.731 17.576 -10.244 1.00 0.00 H new ATOM 603 N LEU A 129 2.962 15.585 -5.730 1.00 0.00 N ATOM 604 CA LEU A 129 2.828 14.166 -5.351 1.00 0.00 C ATOM 605 C LEU A 129 3.812 13.281 -6.134 1.00 0.00 C ATOM 606 O LEU A 129 4.339 12.316 -5.574 1.00 0.00 O ATOM 607 CB LEU A 129 1.378 13.672 -5.548 1.00 0.00 C ATOM 608 CG LEU A 129 0.372 14.640 -4.898 1.00 0.00 C ATOM 609 CD1 LEU A 129 -1.047 14.111 -5.117 1.00 0.00 C ATOM 610 CD2 LEU A 129 0.642 14.754 -3.393 1.00 0.00 C ATOM 0 H LEU A 129 3.412 16.157 -5.015 1.00 0.00 H new ATOM 0 HA LEU A 129 3.075 14.087 -4.292 1.00 0.00 H new ATOM 0 HB2 LEU A 129 1.163 13.579 -6.613 1.00 0.00 H new ATOM 0 HB3 LEU A 129 1.266 12.679 -5.113 1.00 0.00 H new ATOM 0 HG LEU A 129 0.479 15.624 -5.353 1.00 0.00 H new ATOM 0 HD11 LEU A 129 -1.764 14.792 -4.659 1.00 0.00 H new ATOM 0 HD12 LEU A 129 -1.247 14.038 -6.186 1.00 0.00 H new ATOM 0 HD13 LEU A 129 -1.142 13.125 -4.662 1.00 0.00 H new ATOM 0 HD21 LEU A 129 -0.076 15.441 -2.946 1.00 0.00 H new ATOM 0 HD22 LEU A 129 0.542 13.772 -2.930 1.00 0.00 H new ATOM 0 HD23 LEU A 129 1.653 15.130 -3.232 1.00 0.00 H new ATOM 622 N ASP A 130 4.059 13.607 -7.416 1.00 0.00 N ATOM 623 CA ASP A 130 4.995 12.865 -8.257 1.00 0.00 C ATOM 624 C ASP A 130 6.345 12.738 -7.549 1.00 0.00 C ATOM 625 O ASP A 130 7.084 11.783 -7.786 1.00 0.00 O ATOM 626 CB ASP A 130 5.147 13.594 -9.594 1.00 0.00 C ATOM 627 CG ASP A 130 6.030 12.804 -10.555 1.00 0.00 C ATOM 628 OD1 ASP A 130 5.478 11.899 -11.220 1.00 0.00 O ATOM 629 OD2 ASP A 130 7.237 13.121 -10.608 1.00 0.00 O ATOM 0 H ASP A 130 3.612 14.392 -7.890 1.00 0.00 H new ATOM 0 HA ASP A 130 4.615 11.860 -8.441 1.00 0.00 H new ATOM 0 HB2 ASP A 130 4.165 13.748 -10.041 1.00 0.00 H new ATOM 0 HB3 ASP A 130 5.579 14.581 -9.426 1.00 0.00 H new ATOM 634 N ASP A 131 6.648 13.709 -6.670 1.00 0.00 N ATOM 635 CA ASP A 131 7.873 13.726 -5.883 1.00 0.00 C ATOM 636 C ASP A 131 8.149 12.337 -5.302 1.00 0.00 C ATOM 637 O ASP A 131 9.294 11.885 -5.286 1.00 0.00 O ATOM 638 CB ASP A 131 7.721 14.752 -4.749 1.00 0.00 C ATOM 639 CG ASP A 131 7.137 16.067 -5.254 1.00 0.00 C ATOM 640 OD1 ASP A 131 5.913 16.086 -5.531 1.00 0.00 O ATOM 641 OD2 ASP A 131 7.916 17.036 -5.350 1.00 0.00 O ATOM 0 H ASP A 131 6.038 14.507 -6.491 1.00 0.00 H new ATOM 0 HA ASP A 131 8.712 14.004 -6.520 1.00 0.00 H new ATOM 0 HB2 ASP A 131 7.077 14.342 -3.971 1.00 0.00 H new ATOM 0 HB3 ASP A 131 8.693 14.937 -4.293 1.00 0.00 H new ATOM 646 N PHE A 132 7.088 11.667 -4.827 1.00 0.00 N ATOM 647 CA PHE A 132 7.192 10.336 -4.249 1.00 0.00 C ATOM 648 C PHE A 132 6.517 9.326 -5.169 1.00 0.00 C ATOM 649 O PHE A 132 7.164 8.405 -5.667 1.00 0.00 O ATOM 650 CB PHE A 132 6.527 10.333 -2.874 1.00 0.00 C ATOM 651 CG PHE A 132 7.077 11.383 -1.939 1.00 0.00 C ATOM 652 CD1 PHE A 132 8.333 11.194 -1.339 1.00 0.00 C ATOM 653 CD2 PHE A 132 6.336 12.547 -1.672 1.00 0.00 C ATOM 654 CE1 PHE A 132 8.848 12.167 -0.471 1.00 0.00 C ATOM 655 CE2 PHE A 132 6.853 13.522 -0.803 1.00 0.00 C ATOM 656 CZ PHE A 132 8.107 13.331 -0.202 1.00 0.00 C ATOM 0 H PHE A 132 6.139 12.040 -4.837 1.00 0.00 H new ATOM 0 HA PHE A 132 8.241 10.060 -4.138 1.00 0.00 H new ATOM 0 HB2 PHE A 132 5.456 10.492 -2.997 1.00 0.00 H new ATOM 0 HB3 PHE A 132 6.654 9.350 -2.420 1.00 0.00 H new ATOM 0 HD1 PHE A 132 8.902 10.300 -1.546 1.00 0.00 H new ATOM 0 HD2 PHE A 132 5.371 12.692 -2.134 1.00 0.00 H new ATOM 0 HE1 PHE A 132 9.814 12.022 -0.009 1.00 0.00 H new ATOM 0 HE2 PHE A 132 6.286 14.418 -0.597 1.00 0.00 H new ATOM 0 HZ PHE A 132 8.503 14.079 0.468 1.00 0.00 H new ATOM 666 N LEU A 133 5.206 9.500 -5.392 1.00 0.00 N ATOM 667 CA LEU A 133 4.440 8.603 -6.236 1.00 0.00 C ATOM 668 C LEU A 133 4.680 8.970 -7.698 1.00 0.00 C ATOM 669 O LEU A 133 3.805 9.525 -8.359 1.00 0.00 O ATOM 670 CB LEU A 133 2.954 8.695 -5.852 1.00 0.00 C ATOM 671 CG LEU A 133 2.102 7.697 -6.666 1.00 0.00 C ATOM 672 CD1 LEU A 133 2.694 6.287 -6.578 1.00 0.00 C ATOM 673 CD2 LEU A 133 0.681 7.676 -6.103 1.00 0.00 C ATOM 0 H LEU A 133 4.661 10.263 -4.991 1.00 0.00 H new ATOM 0 HA LEU A 133 4.756 7.570 -6.094 1.00 0.00 H new ATOM 0 HB2 LEU A 133 2.838 8.492 -4.787 1.00 0.00 H new ATOM 0 HB3 LEU A 133 2.594 9.709 -6.024 1.00 0.00 H new ATOM 0 HG LEU A 133 2.093 8.012 -7.709 1.00 0.00 H new ATOM 0 HD11 LEU A 133 2.080 5.598 -7.158 1.00 0.00 H new ATOM 0 HD12 LEU A 133 3.708 6.293 -6.977 1.00 0.00 H new ATOM 0 HD13 LEU A 133 2.715 5.966 -5.537 1.00 0.00 H new ATOM 0 HD21 LEU A 133 0.074 6.973 -6.674 1.00 0.00 H new ATOM 0 HD22 LEU A 133 0.708 7.367 -5.058 1.00 0.00 H new ATOM 0 HD23 LEU A 133 0.246 8.673 -6.175 1.00 0.00 H new