USER MOD reduce.3.24.130724 H: found=0, std=0, add=468, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 466 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 36 THR OG1 : rot 180:sc= -0.218 USER MOD Set 1.2: A 37 GLN : amide:sc=-0.00544 X(o=-0.22,f=-0.22) USER MOD Set 2.1: A 11 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 GLY N :NH3+ -111:sc= 0.138 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc=-0.00834 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 TYR OH : rot 180:sc= -0.126 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot 23:sc= 0.274 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0.062 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot -8:sc= 0.947 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot -104:sc= 1.03 USER MOD Single : A 57 ASN : amide:sc= -0.0609 K(o=-0.061,f=-0.99) USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 LYS NZ :NH3+ -156:sc= -0.0307 (180deg=-0.304) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -0.998 -8.885 -15.121 1.00 0.00 N ATOM 2 CA GLY A 1 0.441 -9.000 -15.287 1.00 0.00 C ATOM 3 C GLY A 1 1.071 -7.634 -15.569 1.00 0.00 C ATOM 4 O GLY A 1 0.366 -6.633 -15.681 1.00 0.00 O ATOM 0 H1 GLY A 1 -1.249 -9.071 -14.129 1.00 0.00 H new ATOM 0 H2 GLY A 1 -1.302 -7.925 -15.381 1.00 0.00 H new ATOM 0 H3 GLY A 1 -1.475 -9.577 -15.734 1.00 0.00 H new ATOM 0 HA2 GLY A 1 0.881 -9.429 -14.387 1.00 0.00 H new ATOM 0 HA3 GLY A 1 0.663 -9.683 -16.107 1.00 0.00 H new ATOM 8 N SER A 2 2.392 -7.638 -15.674 1.00 0.00 N ATOM 9 CA SER A 2 3.125 -6.412 -15.940 1.00 0.00 C ATOM 10 C SER A 2 3.826 -6.505 -17.297 1.00 0.00 C ATOM 11 O SER A 2 3.877 -7.575 -17.901 1.00 0.00 O ATOM 12 CB SER A 2 4.143 -6.128 -14.834 1.00 0.00 C ATOM 13 OG SER A 2 4.640 -4.793 -14.895 1.00 0.00 O ATOM 0 H SER A 2 2.973 -8.471 -15.580 1.00 0.00 H new ATOM 0 HA SER A 2 2.414 -5.586 -15.962 1.00 0.00 H new ATOM 0 HB2 SER A 2 3.679 -6.298 -13.862 1.00 0.00 H new ATOM 0 HB3 SER A 2 4.974 -6.828 -14.918 1.00 0.00 H new ATOM 0 HG SER A 2 5.286 -4.651 -14.172 1.00 0.00 H new ATOM 19 N SER A 3 4.349 -5.369 -17.736 1.00 0.00 N ATOM 20 CA SER A 3 5.044 -5.310 -19.010 1.00 0.00 C ATOM 21 C SER A 3 6.537 -5.066 -18.780 1.00 0.00 C ATOM 22 O SER A 3 7.373 -5.861 -19.208 1.00 0.00 O ATOM 23 CB SER A 3 4.460 -4.216 -19.906 1.00 0.00 C ATOM 24 OG SER A 3 4.052 -4.725 -21.173 1.00 0.00 O ATOM 0 H SER A 3 4.305 -4.483 -17.232 1.00 0.00 H new ATOM 0 HA SER A 3 4.912 -6.266 -19.517 1.00 0.00 H new ATOM 0 HB2 SER A 3 3.606 -3.757 -19.408 1.00 0.00 H new ATOM 0 HB3 SER A 3 5.203 -3.432 -20.052 1.00 0.00 H new ATOM 0 HG SER A 3 3.683 -3.996 -21.715 1.00 0.00 H new ATOM 30 N GLY A 4 6.827 -3.964 -18.105 1.00 0.00 N ATOM 31 CA GLY A 4 8.205 -3.605 -17.813 1.00 0.00 C ATOM 32 C GLY A 4 8.279 -2.261 -17.086 1.00 0.00 C ATOM 33 O GLY A 4 8.290 -1.208 -17.722 1.00 0.00 O ATOM 0 H GLY A 4 6.131 -3.307 -17.751 1.00 0.00 H new ATOM 0 HA2 GLY A 4 8.664 -4.380 -17.200 1.00 0.00 H new ATOM 0 HA3 GLY A 4 8.775 -3.553 -18.740 1.00 0.00 H new ATOM 37 N SER A 5 8.329 -2.340 -15.765 1.00 0.00 N ATOM 38 CA SER A 5 8.402 -1.143 -14.945 1.00 0.00 C ATOM 39 C SER A 5 9.034 -1.473 -13.591 1.00 0.00 C ATOM 40 O SER A 5 8.738 -2.510 -13.000 1.00 0.00 O ATOM 41 CB SER A 5 7.017 -0.525 -14.747 1.00 0.00 C ATOM 42 OG SER A 5 7.082 0.725 -14.065 1.00 0.00 O ATOM 0 H SER A 5 8.320 -3.215 -15.241 1.00 0.00 H new ATOM 0 HA SER A 5 9.025 -0.413 -15.462 1.00 0.00 H new ATOM 0 HB2 SER A 5 6.541 -0.384 -15.717 1.00 0.00 H new ATOM 0 HB3 SER A 5 6.390 -1.214 -14.181 1.00 0.00 H new ATOM 0 HG SER A 5 6.178 1.088 -13.960 1.00 0.00 H new ATOM 48 N SER A 6 9.894 -0.571 -13.140 1.00 0.00 N ATOM 49 CA SER A 6 10.570 -0.754 -11.867 1.00 0.00 C ATOM 50 C SER A 6 10.608 0.569 -11.100 1.00 0.00 C ATOM 51 O SER A 6 11.098 1.574 -11.612 1.00 0.00 O ATOM 52 CB SER A 6 11.989 -1.291 -12.069 1.00 0.00 C ATOM 53 OG SER A 6 12.351 -2.233 -11.064 1.00 0.00 O ATOM 0 H SER A 6 10.138 0.288 -13.633 1.00 0.00 H new ATOM 0 HA SER A 6 10.012 -1.488 -11.286 1.00 0.00 H new ATOM 0 HB2 SER A 6 12.063 -1.761 -13.050 1.00 0.00 H new ATOM 0 HB3 SER A 6 12.696 -0.461 -12.059 1.00 0.00 H new ATOM 0 HG SER A 6 13.262 -2.553 -11.229 1.00 0.00 H new ATOM 59 N GLY A 7 10.083 0.527 -9.884 1.00 0.00 N ATOM 60 CA GLY A 7 10.051 1.710 -9.041 1.00 0.00 C ATOM 61 C GLY A 7 8.779 1.743 -8.191 1.00 0.00 C ATOM 62 O GLY A 7 8.006 2.697 -8.260 1.00 0.00 O ATOM 0 H GLY A 7 9.676 -0.308 -9.462 1.00 0.00 H new ATOM 0 HA2 GLY A 7 10.927 1.722 -8.392 1.00 0.00 H new ATOM 0 HA3 GLY A 7 10.101 2.605 -9.662 1.00 0.00 H new ATOM 66 N GLY A 8 8.601 0.688 -7.409 1.00 0.00 N ATOM 67 CA GLY A 8 7.436 0.585 -6.546 1.00 0.00 C ATOM 68 C GLY A 8 7.719 -0.325 -5.349 1.00 0.00 C ATOM 69 O GLY A 8 8.541 -1.236 -5.438 1.00 0.00 O ATOM 0 H GLY A 8 9.243 -0.102 -7.355 1.00 0.00 H new ATOM 0 HA2 GLY A 8 7.151 1.576 -6.194 1.00 0.00 H new ATOM 0 HA3 GLY A 8 6.592 0.193 -7.114 1.00 0.00 H new ATOM 73 N GLU A 9 7.024 -0.046 -4.257 1.00 0.00 N ATOM 74 CA GLU A 9 7.190 -0.827 -3.043 1.00 0.00 C ATOM 75 C GLU A 9 5.862 -1.472 -2.640 1.00 0.00 C ATOM 76 O GLU A 9 4.873 -0.776 -2.418 1.00 0.00 O ATOM 77 CB GLU A 9 7.748 0.034 -1.908 1.00 0.00 C ATOM 78 CG GLU A 9 9.223 0.365 -2.145 1.00 0.00 C ATOM 79 CD GLU A 9 9.372 1.622 -3.004 1.00 0.00 C ATOM 80 OE1 GLU A 9 8.794 2.656 -2.603 1.00 0.00 O ATOM 81 OE2 GLU A 9 10.061 1.522 -4.043 1.00 0.00 O ATOM 0 H GLU A 9 6.344 0.711 -4.187 1.00 0.00 H new ATOM 0 HA GLU A 9 7.911 -1.620 -3.241 1.00 0.00 H new ATOM 0 HB2 GLU A 9 7.173 0.956 -1.830 1.00 0.00 H new ATOM 0 HB3 GLU A 9 7.637 -0.492 -0.960 1.00 0.00 H new ATOM 0 HG2 GLU A 9 9.724 0.512 -1.188 1.00 0.00 H new ATOM 0 HG3 GLU A 9 9.714 -0.475 -2.636 1.00 0.00 H new ATOM 88 N GLU A 10 5.884 -2.794 -2.559 1.00 0.00 N ATOM 89 CA GLU A 10 4.694 -3.540 -2.186 1.00 0.00 C ATOM 90 C GLU A 10 4.463 -3.452 -0.677 1.00 0.00 C ATOM 91 O GLU A 10 5.342 -3.799 0.111 1.00 0.00 O ATOM 92 CB GLU A 10 4.795 -4.997 -2.642 1.00 0.00 C ATOM 93 CG GLU A 10 4.625 -5.110 -4.158 1.00 0.00 C ATOM 94 CD GLU A 10 3.828 -6.363 -4.528 1.00 0.00 C ATOM 95 OE1 GLU A 10 4.354 -7.467 -4.269 1.00 0.00 O ATOM 96 OE2 GLU A 10 2.711 -6.188 -5.062 1.00 0.00 O ATOM 0 H GLU A 10 6.707 -3.368 -2.745 1.00 0.00 H new ATOM 0 HA GLU A 10 3.837 -3.095 -2.691 1.00 0.00 H new ATOM 0 HB2 GLU A 10 5.762 -5.407 -2.349 1.00 0.00 H new ATOM 0 HB3 GLU A 10 4.031 -5.592 -2.141 1.00 0.00 H new ATOM 0 HG2 GLU A 10 4.115 -4.225 -4.537 1.00 0.00 H new ATOM 0 HG3 GLU A 10 5.604 -5.143 -4.636 1.00 0.00 H new ATOM 103 N TYR A 11 3.275 -2.987 -0.318 1.00 0.00 N ATOM 104 CA TYR A 11 2.918 -2.850 1.084 1.00 0.00 C ATOM 105 C TYR A 11 1.581 -3.534 1.379 1.00 0.00 C ATOM 106 O TYR A 11 0.682 -3.536 0.539 1.00 0.00 O ATOM 107 CB TYR A 11 2.774 -1.348 1.337 1.00 0.00 C ATOM 108 CG TYR A 11 4.041 -0.685 1.884 1.00 0.00 C ATOM 109 CD1 TYR A 11 4.253 -0.620 3.246 1.00 0.00 C ATOM 110 CD2 TYR A 11 4.971 -0.153 1.014 1.00 0.00 C ATOM 111 CE1 TYR A 11 5.445 0.004 3.760 1.00 0.00 C ATOM 112 CE2 TYR A 11 6.163 0.471 1.528 1.00 0.00 C ATOM 113 CZ TYR A 11 6.341 0.518 2.876 1.00 0.00 C ATOM 114 OH TYR A 11 7.466 1.107 3.361 1.00 0.00 O ATOM 0 H TYR A 11 2.548 -2.701 -0.973 1.00 0.00 H new ATOM 0 HA TYR A 11 3.674 -3.311 1.719 1.00 0.00 H new ATOM 0 HB2 TYR A 11 2.493 -0.858 0.405 1.00 0.00 H new ATOM 0 HB3 TYR A 11 1.958 -1.185 2.041 1.00 0.00 H new ATOM 0 HD1 TYR A 11 3.525 -1.037 3.926 1.00 0.00 H new ATOM 0 HD2 TYR A 11 4.805 -0.205 -0.052 1.00 0.00 H new ATOM 0 HE1 TYR A 11 5.623 0.062 4.824 1.00 0.00 H new ATOM 0 HE2 TYR A 11 6.899 0.892 0.859 1.00 0.00 H new ATOM 0 HH TYR A 11 8.015 1.428 2.615 1.00 0.00 H new ATOM 124 N ILE A 12 1.493 -4.100 2.574 1.00 0.00 N ATOM 125 CA ILE A 12 0.282 -4.786 2.990 1.00 0.00 C ATOM 126 C ILE A 12 -0.470 -3.917 3.999 1.00 0.00 C ATOM 127 O ILE A 12 0.126 -3.393 4.939 1.00 0.00 O ATOM 128 CB ILE A 12 0.612 -6.187 3.509 1.00 0.00 C ATOM 129 CG1 ILE A 12 1.489 -6.949 2.514 1.00 0.00 C ATOM 130 CG2 ILE A 12 -0.664 -6.957 3.856 1.00 0.00 C ATOM 131 CD1 ILE A 12 0.633 -7.689 1.484 1.00 0.00 C ATOM 0 H ILE A 12 2.241 -4.097 3.267 1.00 0.00 H new ATOM 0 HA ILE A 12 -0.383 -4.935 2.140 1.00 0.00 H new ATOM 0 HB ILE A 12 1.187 -6.084 4.429 1.00 0.00 H new ATOM 0 HG12 ILE A 12 2.157 -6.254 2.005 1.00 0.00 H new ATOM 0 HG13 ILE A 12 2.118 -7.661 3.049 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -0.402 -7.949 4.222 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -1.215 -6.419 4.628 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -1.285 -7.052 2.966 1.00 0.00 H new ATOM 0 HD11 ILE A 12 1.281 -8.223 0.788 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -0.016 -8.401 1.994 1.00 0.00 H new ATOM 0 HD13 ILE A 12 0.024 -6.972 0.935 1.00 0.00 H new ATOM 143 N ALA A 13 -1.769 -3.791 3.771 1.00 0.00 N ATOM 144 CA ALA A 13 -2.610 -2.994 4.649 1.00 0.00 C ATOM 145 C ALA A 13 -2.826 -3.748 5.962 1.00 0.00 C ATOM 146 O ALA A 13 -3.567 -4.729 6.004 1.00 0.00 O ATOM 147 CB ALA A 13 -3.926 -2.669 3.939 1.00 0.00 C ATOM 0 H ALA A 13 -2.260 -4.227 2.991 1.00 0.00 H new ATOM 0 HA ALA A 13 -2.127 -2.047 4.888 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -4.557 -2.071 4.597 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -3.719 -2.108 3.028 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -4.441 -3.596 3.686 1.00 0.00 H new ATOM 153 N LEU A 14 -2.167 -3.261 7.003 1.00 0.00 N ATOM 154 CA LEU A 14 -2.278 -3.876 8.314 1.00 0.00 C ATOM 155 C LEU A 14 -3.740 -3.845 8.765 1.00 0.00 C ATOM 156 O LEU A 14 -4.240 -4.818 9.329 1.00 0.00 O ATOM 157 CB LEU A 14 -1.316 -3.212 9.301 1.00 0.00 C ATOM 158 CG LEU A 14 0.175 -3.412 9.023 1.00 0.00 C ATOM 159 CD1 LEU A 14 1.016 -2.373 9.767 1.00 0.00 C ATOM 160 CD2 LEU A 14 0.607 -4.842 9.352 1.00 0.00 C ATOM 0 H LEU A 14 -1.554 -2.447 6.965 1.00 0.00 H new ATOM 0 HA LEU A 14 -1.980 -4.923 8.270 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -1.522 -2.142 9.314 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -1.533 -3.591 10.300 1.00 0.00 H new ATOM 0 HG LEU A 14 0.347 -3.261 7.957 1.00 0.00 H new ATOM 0 HD11 LEU A 14 2.072 -2.538 9.552 1.00 0.00 H new ATOM 0 HD12 LEU A 14 0.731 -1.373 9.440 1.00 0.00 H new ATOM 0 HD13 LEU A 14 0.845 -2.467 10.839 1.00 0.00 H new ATOM 0 HD21 LEU A 14 1.671 -4.957 9.145 1.00 0.00 H new ATOM 0 HD22 LEU A 14 0.418 -5.046 10.406 1.00 0.00 H new ATOM 0 HD23 LEU A 14 0.040 -5.543 8.739 1.00 0.00 H new ATOM 172 N TYR A 15 -4.384 -2.718 8.500 1.00 0.00 N ATOM 173 CA TYR A 15 -5.778 -2.548 8.871 1.00 0.00 C ATOM 174 C TYR A 15 -6.591 -1.982 7.705 1.00 0.00 C ATOM 175 O TYR A 15 -6.043 -1.314 6.829 1.00 0.00 O ATOM 176 CB TYR A 15 -5.788 -1.540 10.022 1.00 0.00 C ATOM 177 CG TYR A 15 -4.629 -1.707 11.006 1.00 0.00 C ATOM 178 CD1 TYR A 15 -3.441 -1.038 10.793 1.00 0.00 C ATOM 179 CD2 TYR A 15 -4.771 -2.528 12.106 1.00 0.00 C ATOM 180 CE1 TYR A 15 -2.350 -1.195 11.720 1.00 0.00 C ATOM 181 CE2 TYR A 15 -3.680 -2.685 13.033 1.00 0.00 C ATOM 182 CZ TYR A 15 -2.523 -2.011 12.794 1.00 0.00 C ATOM 183 OH TYR A 15 -1.493 -2.160 13.669 1.00 0.00 O ATOM 0 H TYR A 15 -3.966 -1.914 8.033 1.00 0.00 H new ATOM 0 HA TYR A 15 -6.221 -3.504 9.149 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -5.758 -0.532 9.609 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -6.728 -1.634 10.565 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -3.329 -0.397 9.931 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -5.700 -3.053 12.272 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -1.415 -0.676 11.566 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -3.778 -3.324 13.898 1.00 0.00 H new ATOM 0 HH TYR A 15 -1.760 -2.771 14.387 1.00 0.00 H new ATOM 193 N PRO A 16 -7.918 -2.276 7.733 1.00 0.00 N ATOM 194 CA PRO A 16 -8.812 -1.804 6.689 1.00 0.00 C ATOM 195 C PRO A 16 -9.104 -0.311 6.852 1.00 0.00 C ATOM 196 O PRO A 16 -9.851 0.085 7.746 1.00 0.00 O ATOM 197 CB PRO A 16 -10.055 -2.669 6.814 1.00 0.00 C ATOM 198 CG PRO A 16 -10.003 -3.275 8.207 1.00 0.00 C ATOM 199 CD PRO A 16 -8.601 -3.064 8.755 1.00 0.00 C ATOM 0 HA PRO A 16 -8.380 -1.894 5.693 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -10.959 -2.075 6.680 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -10.068 -3.446 6.050 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -10.741 -2.804 8.856 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -10.243 -4.338 8.170 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -8.624 -2.539 9.710 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -8.095 -4.014 8.926 1.00 0.00 H new ATOM 207 N TYR A 17 -8.500 0.477 5.974 1.00 0.00 N ATOM 208 CA TYR A 17 -8.687 1.918 6.010 1.00 0.00 C ATOM 209 C TYR A 17 -9.735 2.360 4.987 1.00 0.00 C ATOM 210 O TYR A 17 -9.538 2.204 3.783 1.00 0.00 O ATOM 211 CB TYR A 17 -7.335 2.527 5.632 1.00 0.00 C ATOM 212 CG TYR A 17 -7.342 4.055 5.553 1.00 0.00 C ATOM 213 CD1 TYR A 17 -7.326 4.806 6.711 1.00 0.00 C ATOM 214 CD2 TYR A 17 -7.363 4.682 4.324 1.00 0.00 C ATOM 215 CE1 TYR A 17 -7.332 6.244 6.637 1.00 0.00 C ATOM 216 CE2 TYR A 17 -7.369 6.120 4.250 1.00 0.00 C ATOM 217 CZ TYR A 17 -7.354 6.830 5.410 1.00 0.00 C ATOM 218 OH TYR A 17 -7.360 8.189 5.339 1.00 0.00 O ATOM 0 H TYR A 17 -7.881 0.145 5.234 1.00 0.00 H new ATOM 0 HA TYR A 17 -9.029 2.237 6.995 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -6.590 2.214 6.364 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -7.023 2.125 4.668 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -7.309 4.315 7.673 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -7.375 4.094 3.418 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -7.319 6.843 7.535 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -7.385 6.624 3.295 1.00 0.00 H new ATOM 0 HH TYR A 17 -7.375 8.467 4.400 1.00 0.00 H new ATOM 228 N SER A 18 -10.827 2.904 5.504 1.00 0.00 N ATOM 229 CA SER A 18 -11.907 3.370 4.651 1.00 0.00 C ATOM 230 C SER A 18 -12.029 4.892 4.746 1.00 0.00 C ATOM 231 O SER A 18 -11.847 5.467 5.818 1.00 0.00 O ATOM 232 CB SER A 18 -13.233 2.707 5.029 1.00 0.00 C ATOM 233 OG SER A 18 -13.445 2.702 6.439 1.00 0.00 O ATOM 0 H SER A 18 -10.987 3.032 6.503 1.00 0.00 H new ATOM 0 HA SER A 18 -11.674 3.094 3.623 1.00 0.00 H new ATOM 0 HB2 SER A 18 -14.053 3.233 4.541 1.00 0.00 H new ATOM 0 HB3 SER A 18 -13.245 1.683 4.657 1.00 0.00 H new ATOM 0 HG SER A 18 -14.302 2.272 6.639 1.00 0.00 H new ATOM 239 N SER A 19 -12.336 5.501 3.610 1.00 0.00 N ATOM 240 CA SER A 19 -12.485 6.945 3.551 1.00 0.00 C ATOM 241 C SER A 19 -13.203 7.345 2.261 1.00 0.00 C ATOM 242 O SER A 19 -12.747 7.022 1.166 1.00 0.00 O ATOM 243 CB SER A 19 -11.126 7.642 3.640 1.00 0.00 C ATOM 244 OG SER A 19 -11.161 8.773 4.506 1.00 0.00 O ATOM 0 H SER A 19 -12.486 5.020 2.723 1.00 0.00 H new ATOM 0 HA SER A 19 -13.083 7.263 4.405 1.00 0.00 H new ATOM 0 HB2 SER A 19 -10.379 6.934 3.998 1.00 0.00 H new ATOM 0 HB3 SER A 19 -10.815 7.958 2.644 1.00 0.00 H new ATOM 0 HG SER A 19 -10.274 9.189 4.537 1.00 0.00 H new ATOM 250 N VAL A 20 -14.316 8.044 2.434 1.00 0.00 N ATOM 251 CA VAL A 20 -15.102 8.492 1.297 1.00 0.00 C ATOM 252 C VAL A 20 -14.466 9.752 0.707 1.00 0.00 C ATOM 253 O VAL A 20 -15.130 10.778 0.565 1.00 0.00 O ATOM 254 CB VAL A 20 -16.559 8.698 1.717 1.00 0.00 C ATOM 255 CG1 VAL A 20 -17.186 7.382 2.182 1.00 0.00 C ATOM 256 CG2 VAL A 20 -16.671 9.772 2.801 1.00 0.00 C ATOM 0 H VAL A 20 -14.692 8.311 3.344 1.00 0.00 H new ATOM 0 HA VAL A 20 -15.107 7.734 0.514 1.00 0.00 H new ATOM 0 HB VAL A 20 -17.114 9.044 0.845 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -18.221 7.556 2.475 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -17.156 6.657 1.369 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -16.628 6.994 3.034 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -17.717 9.898 3.081 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -16.095 9.468 3.675 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -16.281 10.716 2.420 1.00 0.00 H new ATOM 266 N GLU A 21 -13.187 9.634 0.381 1.00 0.00 N ATOM 267 CA GLU A 21 -12.455 10.752 -0.190 1.00 0.00 C ATOM 268 C GLU A 21 -12.005 10.420 -1.614 1.00 0.00 C ATOM 269 O GLU A 21 -11.359 9.398 -1.843 1.00 0.00 O ATOM 270 CB GLU A 21 -11.259 11.129 0.688 1.00 0.00 C ATOM 271 CG GLU A 21 -11.658 12.166 1.740 1.00 0.00 C ATOM 272 CD GLU A 21 -10.744 13.391 1.676 1.00 0.00 C ATOM 273 OE1 GLU A 21 -9.660 13.324 2.295 1.00 0.00 O ATOM 274 OE2 GLU A 21 -11.150 14.367 1.009 1.00 0.00 O ATOM 0 H GLU A 21 -12.639 8.782 0.501 1.00 0.00 H new ATOM 0 HA GLU A 21 -13.121 11.614 -0.232 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -10.869 10.238 1.180 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -10.457 11.527 0.066 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -12.692 12.471 1.581 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -11.606 11.720 2.733 1.00 0.00 H new ATOM 281 N PRO A 22 -12.376 11.325 -2.559 1.00 0.00 N ATOM 282 CA PRO A 22 -12.018 11.138 -3.955 1.00 0.00 C ATOM 283 C PRO A 22 -10.538 11.448 -4.188 1.00 0.00 C ATOM 284 O PRO A 22 -10.195 12.223 -5.080 1.00 0.00 O ATOM 285 CB PRO A 22 -12.947 12.062 -4.726 1.00 0.00 C ATOM 286 CG PRO A 22 -13.467 13.070 -3.714 1.00 0.00 C ATOM 287 CD PRO A 22 -13.141 12.546 -2.325 1.00 0.00 C ATOM 0 HA PRO A 22 -12.139 10.106 -4.286 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -12.417 12.561 -5.537 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -13.767 11.503 -5.177 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -13.004 14.044 -3.873 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -14.542 13.206 -3.828 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -12.563 13.272 -1.754 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -14.048 12.342 -1.756 1.00 0.00 H new ATOM 295 N GLY A 23 -9.700 10.827 -3.371 1.00 0.00 N ATOM 296 CA GLY A 23 -8.265 11.027 -3.477 1.00 0.00 C ATOM 297 C GLY A 23 -7.504 9.973 -2.669 1.00 0.00 C ATOM 298 O GLY A 23 -6.472 9.472 -3.113 1.00 0.00 O ATOM 0 H GLY A 23 -9.988 10.185 -2.633 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -7.963 10.976 -4.523 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -8.005 12.023 -3.118 1.00 0.00 H new ATOM 302 N ASP A 24 -8.043 9.669 -1.498 1.00 0.00 N ATOM 303 CA ASP A 24 -7.427 8.684 -0.624 1.00 0.00 C ATOM 304 C ASP A 24 -7.729 7.280 -1.153 1.00 0.00 C ATOM 305 O ASP A 24 -8.861 6.987 -1.535 1.00 0.00 O ATOM 306 CB ASP A 24 -7.985 8.784 0.797 1.00 0.00 C ATOM 307 CG ASP A 24 -7.425 9.938 1.632 1.00 0.00 C ATOM 308 OD1 ASP A 24 -6.329 9.748 2.200 1.00 0.00 O ATOM 309 OD2 ASP A 24 -8.107 10.985 1.682 1.00 0.00 O ATOM 0 H ASP A 24 -8.899 10.087 -1.134 1.00 0.00 H new ATOM 0 HA ASP A 24 -6.354 8.874 -0.604 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -9.068 8.890 0.739 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -7.783 7.848 1.317 1.00 0.00 H new ATOM 314 N LEU A 25 -6.696 6.450 -1.157 1.00 0.00 N ATOM 315 CA LEU A 25 -6.837 5.084 -1.632 1.00 0.00 C ATOM 316 C LEU A 25 -7.485 4.232 -0.539 1.00 0.00 C ATOM 317 O LEU A 25 -6.923 4.072 0.543 1.00 0.00 O ATOM 318 CB LEU A 25 -5.489 4.544 -2.115 1.00 0.00 C ATOM 319 CG LEU A 25 -5.529 3.204 -2.853 1.00 0.00 C ATOM 320 CD1 LEU A 25 -6.006 3.387 -4.295 1.00 0.00 C ATOM 321 CD2 LEU A 25 -4.173 2.499 -2.783 1.00 0.00 C ATOM 0 H LEU A 25 -5.759 6.697 -0.839 1.00 0.00 H new ATOM 0 HA LEU A 25 -7.498 5.048 -2.498 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -5.038 5.286 -2.774 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -4.831 4.442 -1.252 1.00 0.00 H new ATOM 0 HG LEU A 25 -6.253 2.560 -2.353 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -6.025 2.420 -4.797 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -7.008 3.816 -4.295 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -5.325 4.056 -4.821 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -4.229 1.549 -3.315 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -3.411 3.129 -3.243 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -3.911 2.316 -1.741 1.00 0.00 H new ATOM 333 N THR A 26 -8.659 3.708 -0.860 1.00 0.00 N ATOM 334 CA THR A 26 -9.389 2.877 0.082 1.00 0.00 C ATOM 335 C THR A 26 -9.042 1.402 -0.128 1.00 0.00 C ATOM 336 O THR A 26 -9.089 0.903 -1.251 1.00 0.00 O ATOM 337 CB THR A 26 -10.881 3.179 -0.080 1.00 0.00 C ATOM 338 OG1 THR A 26 -11.145 2.901 -1.452 1.00 0.00 O ATOM 339 CG2 THR A 26 -11.196 4.669 0.066 1.00 0.00 C ATOM 0 H THR A 26 -9.122 3.843 -1.759 1.00 0.00 H new ATOM 0 HA THR A 26 -9.106 3.102 1.110 1.00 0.00 H new ATOM 0 HB THR A 26 -11.448 2.614 0.660 1.00 0.00 H new ATOM 0 HG1 THR A 26 -10.472 2.277 -1.795 1.00 0.00 H new ATOM 0 HG21 THR A 26 -12.267 4.828 -0.058 1.00 0.00 H new ATOM 0 HG22 THR A 26 -10.890 5.010 1.055 1.00 0.00 H new ATOM 0 HG23 THR A 26 -10.655 5.231 -0.695 1.00 0.00 H new ATOM 347 N PHE A 27 -8.701 0.746 0.971 1.00 0.00 N ATOM 348 CA PHE A 27 -8.345 -0.662 0.922 1.00 0.00 C ATOM 349 C PHE A 27 -8.636 -1.348 2.259 1.00 0.00 C ATOM 350 O PHE A 27 -8.842 -0.681 3.271 1.00 0.00 O ATOM 351 CB PHE A 27 -6.843 -0.735 0.641 1.00 0.00 C ATOM 352 CG PHE A 27 -5.993 0.134 1.571 1.00 0.00 C ATOM 353 CD1 PHE A 27 -5.777 -0.255 2.856 1.00 0.00 C ATOM 354 CD2 PHE A 27 -5.455 1.296 1.112 1.00 0.00 C ATOM 355 CE1 PHE A 27 -4.988 0.552 3.718 1.00 0.00 C ATOM 356 CE2 PHE A 27 -4.666 2.102 1.974 1.00 0.00 C ATOM 357 CZ PHE A 27 -4.450 1.714 3.259 1.00 0.00 C ATOM 0 H PHE A 27 -8.664 1.163 1.901 1.00 0.00 H new ATOM 0 HA PHE A 27 -8.928 -1.166 0.151 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -6.517 -1.771 0.730 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -6.661 -0.431 -0.390 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -6.205 -1.177 3.221 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -5.628 1.605 0.092 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -4.815 0.243 4.738 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -4.237 3.024 1.609 1.00 0.00 H new ATOM 0 HZ PHE A 27 -3.851 2.328 3.915 1.00 0.00 H new ATOM 367 N THR A 28 -8.643 -2.673 2.218 1.00 0.00 N ATOM 368 CA THR A 28 -8.905 -3.456 3.414 1.00 0.00 C ATOM 369 C THR A 28 -7.623 -4.139 3.896 1.00 0.00 C ATOM 370 O THR A 28 -6.600 -4.099 3.213 1.00 0.00 O ATOM 371 CB THR A 28 -10.034 -4.439 3.097 1.00 0.00 C ATOM 372 OG1 THR A 28 -9.757 -4.868 1.767 1.00 0.00 O ATOM 373 CG2 THR A 28 -11.396 -3.751 2.990 1.00 0.00 C ATOM 0 H THR A 28 -8.472 -3.223 1.376 1.00 0.00 H new ATOM 0 HA THR A 28 -9.228 -2.821 4.239 1.00 0.00 H new ATOM 0 HB THR A 28 -10.075 -5.207 3.870 1.00 0.00 H new ATOM 0 HG1 THR A 28 -10.440 -5.510 1.481 1.00 0.00 H new ATOM 0 HG21 THR A 28 -12.162 -4.493 2.764 1.00 0.00 H new ATOM 0 HG22 THR A 28 -11.632 -3.262 3.935 1.00 0.00 H new ATOM 0 HG23 THR A 28 -11.366 -3.007 2.194 1.00 0.00 H new ATOM 381 N GLU A 29 -7.720 -4.748 5.068 1.00 0.00 N ATOM 382 CA GLU A 29 -6.581 -5.438 5.649 1.00 0.00 C ATOM 383 C GLU A 29 -6.277 -6.716 4.865 1.00 0.00 C ATOM 384 O GLU A 29 -7.157 -7.554 4.672 1.00 0.00 O ATOM 385 CB GLU A 29 -6.823 -5.747 7.128 1.00 0.00 C ATOM 386 CG GLU A 29 -5.867 -6.833 7.625 1.00 0.00 C ATOM 387 CD GLU A 29 -6.602 -8.160 7.826 1.00 0.00 C ATOM 388 OE1 GLU A 29 -7.596 -8.374 7.098 1.00 0.00 O ATOM 389 OE2 GLU A 29 -6.153 -8.931 8.702 1.00 0.00 O ATOM 0 H GLU A 29 -8.570 -4.778 5.631 1.00 0.00 H new ATOM 0 HA GLU A 29 -5.713 -4.781 5.586 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -6.689 -4.841 7.719 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -7.854 -6.071 7.271 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -5.058 -6.966 6.907 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -5.411 -6.520 8.564 1.00 0.00 H new ATOM 396 N GLY A 30 -5.030 -6.824 4.433 1.00 0.00 N ATOM 397 CA GLY A 30 -4.599 -7.986 3.673 1.00 0.00 C ATOM 398 C GLY A 30 -4.321 -7.615 2.215 1.00 0.00 C ATOM 399 O GLY A 30 -3.554 -8.294 1.533 1.00 0.00 O ATOM 0 H GLY A 30 -4.304 -6.126 4.594 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -3.699 -8.406 4.123 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -5.367 -8.758 3.715 1.00 0.00 H new ATOM 403 N GLU A 31 -4.959 -6.539 1.779 1.00 0.00 N ATOM 404 CA GLU A 31 -4.790 -6.069 0.415 1.00 0.00 C ATOM 405 C GLU A 31 -3.323 -5.725 0.150 1.00 0.00 C ATOM 406 O GLU A 31 -2.573 -5.431 1.079 1.00 0.00 O ATOM 407 CB GLU A 31 -5.695 -4.869 0.131 1.00 0.00 C ATOM 408 CG GLU A 31 -7.074 -5.323 -0.350 1.00 0.00 C ATOM 409 CD GLU A 31 -7.099 -5.483 -1.871 1.00 0.00 C ATOM 410 OE1 GLU A 31 -7.123 -4.434 -2.551 1.00 0.00 O ATOM 411 OE2 GLU A 31 -7.093 -6.650 -2.319 1.00 0.00 O ATOM 0 H GLU A 31 -5.594 -5.979 2.347 1.00 0.00 H new ATOM 0 HA GLU A 31 -5.083 -6.871 -0.263 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -5.801 -4.267 1.034 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -5.234 -4.232 -0.624 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -7.335 -6.270 0.123 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -7.827 -4.596 -0.045 1.00 0.00 H new ATOM 418 N GLU A 32 -2.957 -5.773 -1.123 1.00 0.00 N ATOM 419 CA GLU A 32 -1.593 -5.470 -1.522 1.00 0.00 C ATOM 420 C GLU A 32 -1.528 -4.092 -2.185 1.00 0.00 C ATOM 421 O GLU A 32 -1.910 -3.939 -3.344 1.00 0.00 O ATOM 422 CB GLU A 32 -1.040 -6.552 -2.451 1.00 0.00 C ATOM 423 CG GLU A 32 0.119 -7.301 -1.791 1.00 0.00 C ATOM 424 CD GLU A 32 0.708 -8.347 -2.740 1.00 0.00 C ATOM 425 OE1 GLU A 32 1.519 -7.940 -3.600 1.00 0.00 O ATOM 426 OE2 GLU A 32 0.334 -9.529 -2.585 1.00 0.00 O ATOM 0 H GLU A 32 -3.582 -6.017 -1.891 1.00 0.00 H new ATOM 0 HA GLU A 32 -0.969 -5.452 -0.628 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -1.832 -7.255 -2.709 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -0.701 -6.098 -3.382 1.00 0.00 H new ATOM 0 HG2 GLU A 32 0.894 -6.593 -1.498 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -0.229 -7.787 -0.880 1.00 0.00 H new ATOM 433 N ILE A 33 -1.042 -3.126 -1.421 1.00 0.00 N ATOM 434 CA ILE A 33 -0.922 -1.766 -1.920 1.00 0.00 C ATOM 435 C ILE A 33 0.485 -1.557 -2.483 1.00 0.00 C ATOM 436 O ILE A 33 1.474 -1.721 -1.769 1.00 0.00 O ATOM 437 CB ILE A 33 -1.305 -0.760 -0.832 1.00 0.00 C ATOM 438 CG1 ILE A 33 -2.757 -0.955 -0.392 1.00 0.00 C ATOM 439 CG2 ILE A 33 -1.032 0.673 -1.291 1.00 0.00 C ATOM 440 CD1 ILE A 33 -2.885 -0.872 1.130 1.00 0.00 C ATOM 0 H ILE A 33 -0.726 -3.257 -0.460 1.00 0.00 H new ATOM 0 HA ILE A 33 -1.622 -1.597 -2.738 1.00 0.00 H new ATOM 0 HB ILE A 33 -0.678 -0.944 0.040 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -3.386 -0.195 -0.855 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -3.119 -1.923 -0.739 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -1.313 1.368 -0.500 1.00 0.00 H new ATOM 0 HG22 ILE A 33 0.029 0.787 -1.515 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -1.617 0.886 -2.186 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -3.927 -1.014 1.416 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -2.274 -1.649 1.589 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -2.545 0.106 1.471 1.00 0.00 H new ATOM 452 N LEU A 34 0.531 -1.197 -3.757 1.00 0.00 N ATOM 453 CA LEU A 34 1.801 -0.963 -4.424 1.00 0.00 C ATOM 454 C LEU A 34 2.153 0.523 -4.334 1.00 0.00 C ATOM 455 O LEU A 34 1.607 1.340 -5.074 1.00 0.00 O ATOM 456 CB LEU A 34 1.760 -1.500 -5.856 1.00 0.00 C ATOM 457 CG LEU A 34 2.923 -1.086 -6.760 1.00 0.00 C ATOM 458 CD1 LEU A 34 4.256 -1.591 -6.205 1.00 0.00 C ATOM 459 CD2 LEU A 34 2.689 -1.549 -8.200 1.00 0.00 C ATOM 0 H LEU A 34 -0.291 -1.061 -4.346 1.00 0.00 H new ATOM 0 HA LEU A 34 2.601 -1.511 -3.925 1.00 0.00 H new ATOM 0 HB2 LEU A 34 1.728 -2.589 -5.814 1.00 0.00 H new ATOM 0 HB3 LEU A 34 0.830 -1.171 -6.320 1.00 0.00 H new ATOM 0 HG LEU A 34 2.973 0.003 -6.775 1.00 0.00 H new ATOM 0 HD11 LEU A 34 5.066 -1.283 -6.867 1.00 0.00 H new ATOM 0 HD12 LEU A 34 4.419 -1.172 -5.212 1.00 0.00 H new ATOM 0 HD13 LEU A 34 4.234 -2.679 -6.140 1.00 0.00 H new ATOM 0 HD21 LEU A 34 3.530 -1.242 -8.822 1.00 0.00 H new ATOM 0 HD22 LEU A 34 2.598 -2.635 -8.223 1.00 0.00 H new ATOM 0 HD23 LEU A 34 1.772 -1.100 -8.582 1.00 0.00 H new ATOM 471 N VAL A 35 3.063 0.829 -3.421 1.00 0.00 N ATOM 472 CA VAL A 35 3.494 2.202 -3.224 1.00 0.00 C ATOM 473 C VAL A 35 4.517 2.570 -4.302 1.00 0.00 C ATOM 474 O VAL A 35 5.336 1.740 -4.694 1.00 0.00 O ATOM 475 CB VAL A 35 4.031 2.384 -1.803 1.00 0.00 C ATOM 476 CG1 VAL A 35 4.428 3.840 -1.549 1.00 0.00 C ATOM 477 CG2 VAL A 35 3.014 1.904 -0.767 1.00 0.00 C ATOM 0 H VAL A 35 3.514 0.149 -2.809 1.00 0.00 H new ATOM 0 HA VAL A 35 2.651 2.885 -3.328 1.00 0.00 H new ATOM 0 HB VAL A 35 4.926 1.771 -1.702 1.00 0.00 H new ATOM 0 HG11 VAL A 35 4.806 3.942 -0.532 1.00 0.00 H new ATOM 0 HG12 VAL A 35 5.204 4.134 -2.256 1.00 0.00 H new ATOM 0 HG13 VAL A 35 3.557 4.482 -1.678 1.00 0.00 H new ATOM 0 HG21 VAL A 35 3.421 2.045 0.234 1.00 0.00 H new ATOM 0 HG22 VAL A 35 2.093 2.478 -0.868 1.00 0.00 H new ATOM 0 HG23 VAL A 35 2.802 0.847 -0.928 1.00 0.00 H new ATOM 487 N THR A 36 4.436 3.814 -4.750 1.00 0.00 N ATOM 488 CA THR A 36 5.344 4.301 -5.774 1.00 0.00 C ATOM 489 C THR A 36 5.898 5.674 -5.386 1.00 0.00 C ATOM 490 O THR A 36 7.096 5.922 -5.512 1.00 0.00 O ATOM 491 CB THR A 36 4.595 4.303 -7.108 1.00 0.00 C ATOM 492 OG1 THR A 36 3.575 5.284 -6.932 1.00 0.00 O ATOM 493 CG2 THR A 36 3.824 3.004 -7.349 1.00 0.00 C ATOM 0 H THR A 36 3.755 4.499 -4.422 1.00 0.00 H new ATOM 0 HA THR A 36 6.213 3.651 -5.874 1.00 0.00 H new ATOM 0 HB THR A 36 5.303 4.461 -7.921 1.00 0.00 H new ATOM 0 HG1 THR A 36 3.042 5.352 -7.751 1.00 0.00 H new ATOM 0 HG21 THR A 36 3.311 3.058 -8.309 1.00 0.00 H new ATOM 0 HG22 THR A 36 4.519 2.164 -7.356 1.00 0.00 H new ATOM 0 HG23 THR A 36 3.092 2.862 -6.554 1.00 0.00 H new ATOM 501 N GLN A 37 4.999 6.530 -4.922 1.00 0.00 N ATOM 502 CA GLN A 37 5.382 7.871 -4.515 1.00 0.00 C ATOM 503 C GLN A 37 5.137 8.061 -3.017 1.00 0.00 C ATOM 504 O GLN A 37 4.033 7.821 -2.529 1.00 0.00 O ATOM 505 CB GLN A 37 4.635 8.927 -5.332 1.00 0.00 C ATOM 506 CG GLN A 37 5.497 9.435 -6.489 1.00 0.00 C ATOM 507 CD GLN A 37 4.744 9.338 -7.817 1.00 0.00 C ATOM 508 OE1 GLN A 37 4.533 8.268 -8.364 1.00 0.00 O ATOM 509 NE2 GLN A 37 4.352 10.512 -8.304 1.00 0.00 N ATOM 0 H GLN A 37 4.006 6.320 -4.819 1.00 0.00 H new ATOM 0 HA GLN A 37 6.447 7.998 -4.708 1.00 0.00 H new ATOM 0 HB2 GLN A 37 3.710 8.503 -5.722 1.00 0.00 H new ATOM 0 HB3 GLN A 37 4.357 9.761 -4.688 1.00 0.00 H new ATOM 0 HG2 GLN A 37 5.786 10.470 -6.305 1.00 0.00 H new ATOM 0 HG3 GLN A 37 6.417 8.853 -6.545 1.00 0.00 H new ATOM 0 HE21 GLN A 37 4.561 11.371 -7.795 1.00 0.00 H new ATOM 0 HE22 GLN A 37 3.842 10.553 -9.186 1.00 0.00 H new ATOM 518 N LYS A 38 6.184 8.492 -2.328 1.00 0.00 N ATOM 519 CA LYS A 38 6.095 8.718 -0.895 1.00 0.00 C ATOM 520 C LYS A 38 6.191 10.218 -0.613 1.00 0.00 C ATOM 521 O LYS A 38 7.278 10.793 -0.649 1.00 0.00 O ATOM 522 CB LYS A 38 7.145 7.885 -0.156 1.00 0.00 C ATOM 523 CG LYS A 38 6.904 6.389 -0.365 1.00 0.00 C ATOM 524 CD LYS A 38 7.486 5.573 0.791 1.00 0.00 C ATOM 525 CE LYS A 38 7.482 4.078 0.463 1.00 0.00 C ATOM 526 NZ LYS A 38 8.838 3.508 0.631 1.00 0.00 N ATOM 0 H LYS A 38 7.098 8.691 -2.735 1.00 0.00 H new ATOM 0 HA LYS A 38 5.130 8.383 -0.515 1.00 0.00 H new ATOM 0 HB2 LYS A 38 8.141 8.150 -0.512 1.00 0.00 H new ATOM 0 HB3 LYS A 38 7.115 8.117 0.909 1.00 0.00 H new ATOM 0 HG2 LYS A 38 5.834 6.197 -0.448 1.00 0.00 H new ATOM 0 HG3 LYS A 38 7.358 6.072 -1.304 1.00 0.00 H new ATOM 0 HD2 LYS A 38 8.505 5.901 0.996 1.00 0.00 H new ATOM 0 HD3 LYS A 38 6.905 5.752 1.696 1.00 0.00 H new ATOM 0 HE2 LYS A 38 6.779 3.558 1.114 1.00 0.00 H new ATOM 0 HE3 LYS A 38 7.141 3.925 -0.561 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 8.818 2.493 0.405 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 9.500 3.993 -0.008 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 9.150 3.637 1.615 1.00 0.00 H new ATOM 540 N ASP A 39 5.038 10.811 -0.338 1.00 0.00 N ATOM 541 CA ASP A 39 4.978 12.234 -0.050 1.00 0.00 C ATOM 542 C ASP A 39 4.924 12.441 1.465 1.00 0.00 C ATOM 543 O ASP A 39 3.885 12.224 2.088 1.00 0.00 O ATOM 544 CB ASP A 39 3.725 12.867 -0.659 1.00 0.00 C ATOM 545 CG ASP A 39 3.920 14.277 -1.219 1.00 0.00 C ATOM 546 OD1 ASP A 39 4.231 15.173 -0.405 1.00 0.00 O ATOM 547 OD2 ASP A 39 3.755 14.426 -2.449 1.00 0.00 O ATOM 0 H ASP A 39 4.138 10.332 -0.309 1.00 0.00 H new ATOM 0 HA ASP A 39 5.863 12.703 -0.479 1.00 0.00 H new ATOM 0 HB2 ASP A 39 3.362 12.222 -1.459 1.00 0.00 H new ATOM 0 HB3 ASP A 39 2.946 12.899 0.102 1.00 0.00 H new ATOM 552 N GLY A 40 6.055 12.857 2.014 1.00 0.00 N ATOM 553 CA GLY A 40 6.149 13.096 3.445 1.00 0.00 C ATOM 554 C GLY A 40 5.701 11.866 4.237 1.00 0.00 C ATOM 555 O GLY A 40 6.371 10.835 4.220 1.00 0.00 O ATOM 0 H GLY A 40 6.915 13.035 1.494 1.00 0.00 H new ATOM 0 HA2 GLY A 40 7.176 13.348 3.708 1.00 0.00 H new ATOM 0 HA3 GLY A 40 5.531 13.952 3.716 1.00 0.00 H new ATOM 559 N GLU A 41 4.571 12.016 4.911 1.00 0.00 N ATOM 560 CA GLU A 41 4.025 10.930 5.707 1.00 0.00 C ATOM 561 C GLU A 41 2.969 10.163 4.908 1.00 0.00 C ATOM 562 O GLU A 41 2.839 8.949 5.050 1.00 0.00 O ATOM 563 CB GLU A 41 3.444 11.453 7.023 1.00 0.00 C ATOM 564 CG GLU A 41 4.440 12.368 7.737 1.00 0.00 C ATOM 565 CD GLU A 41 4.805 11.813 9.115 1.00 0.00 C ATOM 566 OE1 GLU A 41 3.883 11.730 9.955 1.00 0.00 O ATOM 567 OE2 GLU A 41 5.997 11.484 9.297 1.00 0.00 O ATOM 0 H GLU A 41 4.018 12.873 4.923 1.00 0.00 H new ATOM 0 HA GLU A 41 4.835 10.243 5.952 1.00 0.00 H new ATOM 0 HB2 GLU A 41 2.521 11.998 6.826 1.00 0.00 H new ATOM 0 HB3 GLU A 41 3.187 10.614 7.670 1.00 0.00 H new ATOM 0 HG2 GLU A 41 5.341 12.472 7.133 1.00 0.00 H new ATOM 0 HG3 GLU A 41 4.011 13.364 7.844 1.00 0.00 H new ATOM 574 N TRP A 42 2.242 10.905 4.085 1.00 0.00 N ATOM 575 CA TRP A 42 1.202 10.310 3.263 1.00 0.00 C ATOM 576 C TRP A 42 1.839 9.861 1.947 1.00 0.00 C ATOM 577 O TRP A 42 2.235 10.691 1.129 1.00 0.00 O ATOM 578 CB TRP A 42 0.039 11.283 3.063 1.00 0.00 C ATOM 579 CG TRP A 42 -0.868 11.430 4.287 1.00 0.00 C ATOM 580 CD1 TRP A 42 -0.658 12.170 5.384 1.00 0.00 C ATOM 581 CD2 TRP A 42 -2.143 10.788 4.494 1.00 0.00 C ATOM 582 NE1 TRP A 42 -1.701 12.052 6.280 1.00 0.00 N ATOM 583 CE2 TRP A 42 -2.633 11.185 5.722 1.00 0.00 C ATOM 584 CE3 TRP A 42 -2.860 9.901 3.671 1.00 0.00 C ATOM 585 CZ2 TRP A 42 -3.858 10.745 6.237 1.00 0.00 C ATOM 586 CZ3 TRP A 42 -4.082 9.471 4.200 1.00 0.00 C ATOM 587 CH2 TRP A 42 -4.589 9.861 5.435 1.00 0.00 C ATOM 0 H TRP A 42 2.353 11.912 3.970 1.00 0.00 H new ATOM 0 HA TRP A 42 0.771 9.439 3.756 1.00 0.00 H new ATOM 0 HB2 TRP A 42 0.439 12.262 2.801 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -0.561 10.947 2.217 1.00 0.00 H new ATOM 0 HD1 TRP A 42 0.217 12.782 5.547 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -1.774 12.516 7.185 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -2.496 9.577 2.707 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 -4.220 11.070 7.201 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 -4.673 8.788 3.608 1.00 0.00 H new ATOM 0 HH2 TRP A 42 -5.542 9.483 5.774 1.00 0.00 H new ATOM 598 N TRP A 43 1.919 8.549 1.782 1.00 0.00 N ATOM 599 CA TRP A 43 2.502 7.979 0.579 1.00 0.00 C ATOM 600 C TRP A 43 1.362 7.646 -0.386 1.00 0.00 C ATOM 601 O TRP A 43 0.199 7.601 0.013 1.00 0.00 O ATOM 602 CB TRP A 43 3.376 6.769 0.913 1.00 0.00 C ATOM 603 CG TRP A 43 4.387 7.022 2.033 1.00 0.00 C ATOM 604 CD1 TRP A 43 4.995 8.173 2.351 1.00 0.00 C ATOM 605 CD2 TRP A 43 4.888 6.050 2.975 1.00 0.00 C ATOM 606 NE1 TRP A 43 5.847 8.015 3.425 1.00 0.00 N ATOM 607 CE2 TRP A 43 5.780 6.682 3.817 1.00 0.00 C ATOM 608 CE3 TRP A 43 4.596 4.681 3.111 1.00 0.00 C ATOM 609 CZ2 TRP A 43 6.453 6.026 4.854 1.00 0.00 C ATOM 610 CZ3 TRP A 43 5.277 4.039 4.153 1.00 0.00 C ATOM 611 CH2 TRP A 43 6.178 4.662 5.009 1.00 0.00 C ATOM 0 H TRP A 43 1.590 7.864 2.462 1.00 0.00 H new ATOM 0 HA TRP A 43 3.169 8.694 0.097 1.00 0.00 H new ATOM 0 HB2 TRP A 43 2.733 5.937 1.199 1.00 0.00 H new ATOM 0 HB3 TRP A 43 3.913 6.463 0.015 1.00 0.00 H new ATOM 0 HD1 TRP A 43 4.838 9.107 1.832 1.00 0.00 H new ATOM 0 HE1 TRP A 43 6.420 8.742 3.853 1.00 0.00 H new ATOM 0 HE3 TRP A 43 3.902 4.166 2.464 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 7.147 6.544 5.500 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 5.089 2.986 4.302 1.00 0.00 H new ATOM 0 HH2 TRP A 43 6.664 4.096 5.790 1.00 0.00 H new ATOM 622 N THR A 44 1.735 7.421 -1.637 1.00 0.00 N ATOM 623 CA THR A 44 0.759 7.093 -2.661 1.00 0.00 C ATOM 624 C THR A 44 0.816 5.601 -2.995 1.00 0.00 C ATOM 625 O THR A 44 1.828 5.111 -3.496 1.00 0.00 O ATOM 626 CB THR A 44 1.019 7.996 -3.869 1.00 0.00 C ATOM 627 OG1 THR A 44 0.490 9.260 -3.477 1.00 0.00 O ATOM 628 CG2 THR A 44 0.180 7.602 -5.086 1.00 0.00 C ATOM 0 H THR A 44 2.700 7.459 -1.964 1.00 0.00 H new ATOM 0 HA THR A 44 -0.257 7.277 -2.312 1.00 0.00 H new ATOM 0 HB THR A 44 2.077 7.958 -4.130 1.00 0.00 H new ATOM 0 HG1 THR A 44 0.618 9.907 -4.202 1.00 0.00 H new ATOM 0 HG21 THR A 44 0.403 8.274 -5.915 1.00 0.00 H new ATOM 0 HG22 THR A 44 0.417 6.578 -5.375 1.00 0.00 H new ATOM 0 HG23 THR A 44 -0.879 7.672 -4.836 1.00 0.00 H new ATOM 636 N GLY A 45 -0.282 4.919 -2.703 1.00 0.00 N ATOM 637 CA GLY A 45 -0.369 3.492 -2.966 1.00 0.00 C ATOM 638 C GLY A 45 -1.217 3.215 -4.209 1.00 0.00 C ATOM 639 O GLY A 45 -1.952 4.086 -4.671 1.00 0.00 O ATOM 0 H GLY A 45 -1.119 5.328 -2.287 1.00 0.00 H new ATOM 0 HA2 GLY A 45 0.632 3.082 -3.105 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -0.804 2.985 -2.104 1.00 0.00 H new ATOM 643 N SER A 46 -1.086 1.997 -4.715 1.00 0.00 N ATOM 644 CA SER A 46 -1.830 1.594 -5.896 1.00 0.00 C ATOM 645 C SER A 46 -2.354 0.167 -5.722 1.00 0.00 C ATOM 646 O SER A 46 -1.726 -0.651 -5.052 1.00 0.00 O ATOM 647 CB SER A 46 -0.965 1.692 -7.153 1.00 0.00 C ATOM 648 OG SER A 46 -1.747 1.909 -8.325 1.00 0.00 O ATOM 0 H SER A 46 -0.476 1.277 -4.329 1.00 0.00 H new ATOM 0 HA SER A 46 -2.674 2.273 -6.016 1.00 0.00 H new ATOM 0 HB2 SER A 46 -0.250 2.507 -7.038 1.00 0.00 H new ATOM 0 HB3 SER A 46 -0.387 0.775 -7.268 1.00 0.00 H new ATOM 0 HG SER A 46 -2.698 1.819 -8.105 1.00 0.00 H new ATOM 654 N ILE A 47 -3.499 -0.089 -6.337 1.00 0.00 N ATOM 655 CA ILE A 47 -4.114 -1.403 -6.259 1.00 0.00 C ATOM 656 C ILE A 47 -4.662 -1.788 -7.634 1.00 0.00 C ATOM 657 O ILE A 47 -5.633 -1.198 -8.107 1.00 0.00 O ATOM 658 CB ILE A 47 -5.164 -1.438 -5.146 1.00 0.00 C ATOM 659 CG1 ILE A 47 -4.535 -1.120 -3.788 1.00 0.00 C ATOM 660 CG2 ILE A 47 -5.907 -2.775 -5.136 1.00 0.00 C ATOM 661 CD1 ILE A 47 -5.611 -0.906 -2.722 1.00 0.00 C ATOM 0 H ILE A 47 -4.017 0.592 -6.892 1.00 0.00 H new ATOM 0 HA ILE A 47 -3.372 -2.155 -5.990 1.00 0.00 H new ATOM 0 HB ILE A 47 -5.902 -0.661 -5.347 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -3.878 -1.936 -3.488 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -3.916 -0.226 -3.870 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -6.647 -2.774 -4.336 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -6.408 -2.920 -6.093 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -5.196 -3.585 -4.972 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -5.137 -0.682 -1.766 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -6.252 -0.074 -3.014 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -6.212 -1.810 -2.625 1.00 0.00 H new ATOM 673 N GLY A 48 -4.017 -2.774 -8.238 1.00 0.00 N ATOM 674 CA GLY A 48 -4.428 -3.245 -9.550 1.00 0.00 C ATOM 675 C GLY A 48 -4.297 -2.136 -10.596 1.00 0.00 C ATOM 676 O GLY A 48 -3.354 -2.131 -11.386 1.00 0.00 O ATOM 0 H GLY A 48 -3.212 -3.260 -7.843 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -3.817 -4.099 -9.842 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -5.461 -3.591 -9.509 1.00 0.00 H new ATOM 680 N ASP A 49 -5.256 -1.223 -10.567 1.00 0.00 N ATOM 681 CA ASP A 49 -5.260 -0.111 -11.503 1.00 0.00 C ATOM 682 C ASP A 49 -5.843 1.126 -10.816 1.00 0.00 C ATOM 683 O ASP A 49 -6.312 2.047 -11.483 1.00 0.00 O ATOM 684 CB ASP A 49 -6.125 -0.423 -12.726 1.00 0.00 C ATOM 685 CG ASP A 49 -5.349 -0.641 -14.027 1.00 0.00 C ATOM 686 OD1 ASP A 49 -4.298 -1.313 -13.955 1.00 0.00 O ATOM 687 OD2 ASP A 49 -5.826 -0.131 -15.064 1.00 0.00 O ATOM 0 H ASP A 49 -6.036 -1.230 -9.910 1.00 0.00 H new ATOM 0 HA ASP A 49 -4.233 0.064 -11.823 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -6.714 -1.316 -12.518 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -6.829 0.396 -12.873 1.00 0.00 H new ATOM 692 N ARG A 50 -5.793 1.107 -9.492 1.00 0.00 N ATOM 693 CA ARG A 50 -6.310 2.216 -8.708 1.00 0.00 C ATOM 694 C ARG A 50 -5.164 3.116 -8.242 1.00 0.00 C ATOM 695 O ARG A 50 -4.007 2.699 -8.232 1.00 0.00 O ATOM 696 CB ARG A 50 -7.084 1.713 -7.488 1.00 0.00 C ATOM 697 CG ARG A 50 -8.592 1.751 -7.741 1.00 0.00 C ATOM 698 CD ARG A 50 -9.347 0.947 -6.681 1.00 0.00 C ATOM 699 NE ARG A 50 -9.645 -0.410 -7.191 1.00 0.00 N ATOM 700 CZ ARG A 50 -10.540 -1.241 -6.639 1.00 0.00 C ATOM 701 NH1 ARG A 50 -11.230 -0.858 -5.556 1.00 0.00 N ATOM 702 NH2 ARG A 50 -10.744 -2.454 -7.170 1.00 0.00 N ATOM 0 H ARG A 50 -5.403 0.341 -8.943 1.00 0.00 H new ATOM 0 HA ARG A 50 -6.987 2.786 -9.344 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -6.777 0.694 -7.253 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -6.842 2.327 -6.621 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -8.939 2.784 -7.734 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -8.808 1.348 -8.730 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -8.751 0.879 -5.771 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -10.274 1.457 -6.418 1.00 0.00 H new ATOM 0 HE ARG A 50 -9.137 -0.733 -8.014 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -11.074 0.066 -5.152 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -11.911 -1.490 -5.136 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -10.218 -2.745 -7.994 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -11.425 -3.087 -6.750 1.00 0.00 H new ATOM 716 N SER A 51 -5.526 4.334 -7.865 1.00 0.00 N ATOM 717 CA SER A 51 -4.542 5.296 -7.399 1.00 0.00 C ATOM 718 C SER A 51 -5.160 6.200 -6.331 1.00 0.00 C ATOM 719 O SER A 51 -6.298 6.647 -6.473 1.00 0.00 O ATOM 720 CB SER A 51 -4.001 6.136 -8.557 1.00 0.00 C ATOM 721 OG SER A 51 -4.755 5.948 -9.751 1.00 0.00 O ATOM 0 H SER A 51 -6.487 4.676 -7.873 1.00 0.00 H new ATOM 0 HA SER A 51 -3.707 4.747 -6.963 1.00 0.00 H new ATOM 0 HB2 SER A 51 -4.019 7.190 -8.279 1.00 0.00 H new ATOM 0 HB3 SER A 51 -2.960 5.872 -8.741 1.00 0.00 H new ATOM 0 HG SER A 51 -4.379 6.503 -10.466 1.00 0.00 H new ATOM 727 N GLY A 52 -4.384 6.444 -5.285 1.00 0.00 N ATOM 728 CA GLY A 52 -4.841 7.287 -4.194 1.00 0.00 C ATOM 729 C GLY A 52 -3.768 7.412 -3.111 1.00 0.00 C ATOM 730 O GLY A 52 -2.688 6.836 -3.233 1.00 0.00 O ATOM 0 H GLY A 52 -3.441 6.072 -5.170 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -5.094 8.276 -4.576 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -5.751 6.869 -3.763 1.00 0.00 H new ATOM 734 N ILE A 53 -4.102 8.169 -2.076 1.00 0.00 N ATOM 735 CA ILE A 53 -3.180 8.377 -0.972 1.00 0.00 C ATOM 736 C ILE A 53 -3.633 7.544 0.229 1.00 0.00 C ATOM 737 O ILE A 53 -4.795 7.151 0.313 1.00 0.00 O ATOM 738 CB ILE A 53 -3.038 9.869 -0.667 1.00 0.00 C ATOM 739 CG1 ILE A 53 -4.305 10.417 -0.008 1.00 0.00 C ATOM 740 CG2 ILE A 53 -2.662 10.653 -1.926 1.00 0.00 C ATOM 741 CD1 ILE A 53 -3.964 11.492 1.027 1.00 0.00 C ATOM 0 H ILE A 53 -4.998 8.646 -1.979 1.00 0.00 H new ATOM 0 HA ILE A 53 -2.181 8.033 -1.240 1.00 0.00 H new ATOM 0 HB ILE A 53 -2.224 9.995 0.046 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -4.963 10.836 -0.769 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -4.850 9.604 0.472 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -2.567 11.711 -1.681 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -1.713 10.284 -2.314 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -3.438 10.523 -2.681 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -4.882 11.865 1.480 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -3.326 11.064 1.800 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -3.441 12.314 0.539 1.00 0.00 H new ATOM 753 N PHE A 54 -2.691 7.300 1.128 1.00 0.00 N ATOM 754 CA PHE A 54 -2.978 6.521 2.320 1.00 0.00 C ATOM 755 C PHE A 54 -1.989 6.849 3.441 1.00 0.00 C ATOM 756 O PHE A 54 -0.917 7.396 3.187 1.00 0.00 O ATOM 757 CB PHE A 54 -2.829 5.047 1.939 1.00 0.00 C ATOM 758 CG PHE A 54 -1.386 4.618 1.669 1.00 0.00 C ATOM 759 CD1 PHE A 54 -0.541 4.381 2.708 1.00 0.00 C ATOM 760 CD2 PHE A 54 -0.947 4.473 0.389 1.00 0.00 C ATOM 761 CE1 PHE A 54 0.799 3.982 2.457 1.00 0.00 C ATOM 762 CE2 PHE A 54 0.392 4.074 0.138 1.00 0.00 C ATOM 763 CZ PHE A 54 1.237 3.837 1.177 1.00 0.00 C ATOM 0 H PHE A 54 -1.728 7.628 1.055 1.00 0.00 H new ATOM 0 HA PHE A 54 -3.982 6.748 2.680 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -3.236 4.432 2.741 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -3.428 4.849 1.050 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -0.889 4.496 3.724 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -1.618 4.662 -0.436 1.00 0.00 H new ATOM 0 HE1 PHE A 54 1.470 3.794 3.282 1.00 0.00 H new ATOM 0 HE2 PHE A 54 0.740 3.959 -0.878 1.00 0.00 H new ATOM 0 HZ PHE A 54 2.256 3.534 0.986 1.00 0.00 H new ATOM 773 N PRO A 55 -2.395 6.491 4.689 1.00 0.00 N ATOM 774 CA PRO A 55 -1.556 6.741 5.849 1.00 0.00 C ATOM 775 C PRO A 55 -0.391 5.751 5.906 1.00 0.00 C ATOM 776 O PRO A 55 -0.601 4.539 5.921 1.00 0.00 O ATOM 777 CB PRO A 55 -2.491 6.627 7.042 1.00 0.00 C ATOM 778 CG PRO A 55 -3.709 5.864 6.546 1.00 0.00 C ATOM 779 CD PRO A 55 -3.658 5.841 5.027 1.00 0.00 C ATOM 0 HA PRO A 55 -1.083 7.723 5.823 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -2.010 6.101 7.866 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -2.772 7.612 7.413 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -3.711 4.849 6.943 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -4.626 6.343 6.890 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -3.693 4.821 4.645 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -4.505 6.373 4.594 1.00 0.00 H new ATOM 787 N SER A 56 0.813 6.304 5.936 1.00 0.00 N ATOM 788 CA SER A 56 2.012 5.486 5.992 1.00 0.00 C ATOM 789 C SER A 56 2.156 4.861 7.381 1.00 0.00 C ATOM 790 O SER A 56 3.159 5.075 8.061 1.00 0.00 O ATOM 791 CB SER A 56 3.256 6.307 5.647 1.00 0.00 C ATOM 792 OG SER A 56 3.541 7.286 6.642 1.00 0.00 O ATOM 0 H SER A 56 0.983 7.310 5.923 1.00 0.00 H new ATOM 0 HA SER A 56 1.918 4.691 5.252 1.00 0.00 H new ATOM 0 HB2 SER A 56 4.112 5.641 5.538 1.00 0.00 H new ATOM 0 HB3 SER A 56 3.111 6.799 4.685 1.00 0.00 H new ATOM 0 HG SER A 56 3.271 8.170 6.317 1.00 0.00 H new ATOM 798 N ASN A 57 1.138 4.103 7.762 1.00 0.00 N ATOM 799 CA ASN A 57 1.139 3.446 9.059 1.00 0.00 C ATOM 800 C ASN A 57 0.286 2.178 8.984 1.00 0.00 C ATOM 801 O ASN A 57 0.676 1.132 9.500 1.00 0.00 O ATOM 802 CB ASN A 57 0.543 4.354 10.136 1.00 0.00 C ATOM 803 CG ASN A 57 0.422 3.615 11.470 1.00 0.00 C ATOM 804 OD1 ASN A 57 1.151 2.681 11.761 1.00 0.00 O ATOM 805 ND2 ASN A 57 -0.537 4.084 12.263 1.00 0.00 N ATOM 0 H ASN A 57 0.307 3.929 7.196 1.00 0.00 H new ATOM 0 HA ASN A 57 2.171 3.210 9.317 1.00 0.00 H new ATOM 0 HB2 ASN A 57 1.170 5.237 10.261 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -0.440 4.703 9.819 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -0.697 3.658 13.176 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -1.112 4.869 11.958 1.00 0.00 H new ATOM 812 N TYR A 58 -0.862 2.313 8.336 1.00 0.00 N ATOM 813 CA TYR A 58 -1.774 1.192 8.187 1.00 0.00 C ATOM 814 C TYR A 58 -1.278 0.222 7.112 1.00 0.00 C ATOM 815 O TYR A 58 -1.969 -0.737 6.770 1.00 0.00 O ATOM 816 CB TYR A 58 -3.109 1.790 7.741 1.00 0.00 C ATOM 817 CG TYR A 58 -3.901 2.454 8.869 1.00 0.00 C ATOM 818 CD1 TYR A 58 -3.325 3.460 9.617 1.00 0.00 C ATOM 819 CD2 TYR A 58 -5.192 2.048 9.138 1.00 0.00 C ATOM 820 CE1 TYR A 58 -4.070 4.086 10.679 1.00 0.00 C ATOM 821 CE2 TYR A 58 -5.938 2.673 10.199 1.00 0.00 C ATOM 822 CZ TYR A 58 -5.340 3.661 10.918 1.00 0.00 C ATOM 823 OH TYR A 58 -6.044 4.252 11.920 1.00 0.00 O ATOM 0 H TYR A 58 -1.181 3.182 7.908 1.00 0.00 H new ATOM 0 HA TYR A 58 -1.857 0.637 9.122 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -2.922 2.527 6.959 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -3.718 1.002 7.298 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -2.315 3.778 9.406 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -5.643 1.261 8.552 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -3.631 4.875 11.272 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -6.949 2.364 10.419 1.00 0.00 H new ATOM 0 HH TYR A 58 -6.935 3.849 11.975 1.00 0.00 H new ATOM 833 N VAL A 59 -0.086 0.505 6.609 1.00 0.00 N ATOM 834 CA VAL A 59 0.510 -0.330 5.580 1.00 0.00 C ATOM 835 C VAL A 59 1.873 -0.831 6.062 1.00 0.00 C ATOM 836 O VAL A 59 2.624 -0.089 6.692 1.00 0.00 O ATOM 837 CB VAL A 59 0.589 0.441 4.261 1.00 0.00 C ATOM 838 CG1 VAL A 59 -0.802 0.877 3.797 1.00 0.00 C ATOM 839 CG2 VAL A 59 1.527 1.643 4.384 1.00 0.00 C ATOM 0 H VAL A 59 0.484 1.301 6.895 1.00 0.00 H new ATOM 0 HA VAL A 59 -0.111 -1.206 5.392 1.00 0.00 H new ATOM 0 HB VAL A 59 1.000 -0.229 3.506 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -0.718 1.423 2.857 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -1.429 -0.003 3.651 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -1.252 1.522 4.552 1.00 0.00 H new ATOM 0 HG21 VAL A 59 1.565 2.174 3.433 1.00 0.00 H new ATOM 0 HG22 VAL A 59 1.158 2.314 5.159 1.00 0.00 H new ATOM 0 HG23 VAL A 59 2.527 1.299 4.648 1.00 0.00 H new ATOM 849 N LYS A 60 2.151 -2.088 5.747 1.00 0.00 N ATOM 850 CA LYS A 60 3.410 -2.697 6.140 1.00 0.00 C ATOM 851 C LYS A 60 4.180 -3.119 4.887 1.00 0.00 C ATOM 852 O LYS A 60 3.592 -3.291 3.821 1.00 0.00 O ATOM 853 CB LYS A 60 3.167 -3.841 7.126 1.00 0.00 C ATOM 854 CG LYS A 60 2.586 -5.064 6.415 1.00 0.00 C ATOM 855 CD LYS A 60 2.748 -6.323 7.269 1.00 0.00 C ATOM 856 CE LYS A 60 3.567 -7.385 6.532 1.00 0.00 C ATOM 857 NZ LYS A 60 4.485 -8.073 7.467 1.00 0.00 N ATOM 0 H LYS A 60 1.526 -2.701 5.224 1.00 0.00 H new ATOM 0 HA LYS A 60 4.033 -1.976 6.670 1.00 0.00 H new ATOM 0 HB2 LYS A 60 4.104 -4.111 7.614 1.00 0.00 H new ATOM 0 HB3 LYS A 60 2.483 -3.512 7.909 1.00 0.00 H new ATOM 0 HG2 LYS A 60 1.530 -4.898 6.202 1.00 0.00 H new ATOM 0 HG3 LYS A 60 3.086 -5.204 5.457 1.00 0.00 H new ATOM 0 HD2 LYS A 60 3.238 -6.068 8.209 1.00 0.00 H new ATOM 0 HD3 LYS A 60 1.766 -6.725 7.520 1.00 0.00 H new ATOM 0 HE2 LYS A 60 2.899 -8.111 6.069 1.00 0.00 H new ATOM 0 HE3 LYS A 60 4.138 -6.920 5.729 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 5.033 -8.790 6.951 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 5.134 -7.379 7.890 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 3.934 -8.534 8.219 1.00 0.00 H new ATOM 871 N PRO A 61 5.520 -3.278 5.062 1.00 0.00 N ATOM 872 CA PRO A 61 6.377 -3.676 3.958 1.00 0.00 C ATOM 873 C PRO A 61 6.207 -5.163 3.641 1.00 0.00 C ATOM 874 O PRO A 61 6.474 -6.016 4.487 1.00 0.00 O ATOM 875 CB PRO A 61 7.785 -3.321 4.406 1.00 0.00 C ATOM 876 CG PRO A 61 7.717 -3.169 5.917 1.00 0.00 C ATOM 877 CD PRO A 61 6.251 -3.083 6.310 1.00 0.00 C ATOM 0 HA PRO A 61 6.129 -3.166 3.027 1.00 0.00 H new ATOM 0 HB2 PRO A 61 8.493 -4.100 4.124 1.00 0.00 H new ATOM 0 HB3 PRO A 61 8.123 -2.398 3.936 1.00 0.00 H new ATOM 0 HG2 PRO A 61 8.195 -4.017 6.408 1.00 0.00 H new ATOM 0 HG3 PRO A 61 8.251 -2.274 6.235 1.00 0.00 H new ATOM 0 HD2 PRO A 61 5.992 -3.847 7.044 1.00 0.00 H new ATOM 0 HD3 PRO A 61 6.017 -2.118 6.759 1.00 0.00 H new ATOM 885 N LYS A 62 5.763 -5.429 2.421 1.00 0.00 N ATOM 886 CA LYS A 62 5.555 -6.798 1.982 1.00 0.00 C ATOM 887 C LYS A 62 6.876 -7.564 2.070 1.00 0.00 C ATOM 888 O LYS A 62 7.729 -7.441 1.193 1.00 0.00 O ATOM 889 CB LYS A 62 4.921 -6.824 0.590 1.00 0.00 C ATOM 890 CG LYS A 62 5.216 -8.145 -0.123 1.00 0.00 C ATOM 891 CD LYS A 62 3.986 -8.644 -0.883 1.00 0.00 C ATOM 892 CE LYS A 62 3.244 -9.716 -0.082 1.00 0.00 C ATOM 893 NZ LYS A 62 4.039 -10.963 -0.024 1.00 0.00 N ATOM 0 H LYS A 62 5.542 -4.719 1.723 1.00 0.00 H new ATOM 0 HA LYS A 62 4.848 -7.305 2.639 1.00 0.00 H new ATOM 0 HB2 LYS A 62 3.843 -6.685 0.675 1.00 0.00 H new ATOM 0 HB3 LYS A 62 5.303 -5.993 -0.003 1.00 0.00 H new ATOM 0 HG2 LYS A 62 6.046 -8.011 -0.816 1.00 0.00 H new ATOM 0 HG3 LYS A 62 5.527 -8.894 0.605 1.00 0.00 H new ATOM 0 HD2 LYS A 62 3.316 -7.808 -1.087 1.00 0.00 H new ATOM 0 HD3 LYS A 62 4.290 -9.051 -1.847 1.00 0.00 H new ATOM 0 HE2 LYS A 62 3.050 -9.354 0.928 1.00 0.00 H new ATOM 0 HE3 LYS A 62 2.276 -9.916 -0.541 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 3.406 -11.771 0.143 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 4.541 -11.097 -0.925 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 4.730 -10.899 0.751 1.00 0.00 H new ATOM 907 N ASP A 63 7.004 -8.339 3.138 1.00 0.00 N ATOM 908 CA ASP A 63 8.207 -9.125 3.352 1.00 0.00 C ATOM 909 C ASP A 63 8.111 -10.425 2.550 1.00 0.00 C ATOM 910 O ASP A 63 7.268 -11.274 2.836 1.00 0.00 O ATOM 911 CB ASP A 63 8.370 -9.491 4.828 1.00 0.00 C ATOM 912 CG ASP A 63 9.774 -9.949 5.230 1.00 0.00 C ATOM 913 OD1 ASP A 63 10.313 -10.821 4.514 1.00 0.00 O ATOM 914 OD2 ASP A 63 10.276 -9.416 6.243 1.00 0.00 O ATOM 0 H ASP A 63 6.294 -8.439 3.864 1.00 0.00 H new ATOM 0 HA ASP A 63 9.061 -8.528 3.032 1.00 0.00 H new ATOM 0 HB2 ASP A 63 8.099 -8.626 5.433 1.00 0.00 H new ATOM 0 HB3 ASP A 63 7.662 -10.284 5.070 1.00 0.00 H new ATOM 919 N SER A 64 8.987 -10.540 1.563 1.00 0.00 N ATOM 920 CA SER A 64 9.011 -11.722 0.718 1.00 0.00 C ATOM 921 C SER A 64 10.383 -12.395 0.799 1.00 0.00 C ATOM 922 O SER A 64 10.487 -13.555 1.194 1.00 0.00 O ATOM 923 CB SER A 64 8.678 -11.369 -0.733 1.00 0.00 C ATOM 924 OG SER A 64 8.480 -12.531 -1.533 1.00 0.00 O ATOM 0 H SER A 64 9.685 -9.834 1.329 1.00 0.00 H new ATOM 0 HA SER A 64 8.251 -12.415 1.078 1.00 0.00 H new ATOM 0 HB2 SER A 64 7.779 -10.753 -0.759 1.00 0.00 H new ATOM 0 HB3 SER A 64 9.486 -10.771 -1.155 1.00 0.00 H new ATOM 0 HG SER A 64 8.268 -12.263 -2.452 1.00 0.00 H new ATOM 930 N GLY A 65 11.402 -11.637 0.418 1.00 0.00 N ATOM 931 CA GLY A 65 12.762 -12.146 0.443 1.00 0.00 C ATOM 932 C GLY A 65 13.286 -12.379 -0.976 1.00 0.00 C ATOM 933 O GLY A 65 13.154 -13.475 -1.518 1.00 0.00 O ATOM 0 H GLY A 65 11.312 -10.675 0.091 1.00 0.00 H new ATOM 0 HA2 GLY A 65 13.409 -11.439 0.962 1.00 0.00 H new ATOM 0 HA3 GLY A 65 12.795 -13.080 1.005 1.00 0.00 H new ATOM 937 N PRO A 66 13.887 -11.302 -1.551 1.00 0.00 N ATOM 938 CA PRO A 66 14.431 -11.379 -2.896 1.00 0.00 C ATOM 939 C PRO A 66 15.745 -12.163 -2.911 1.00 0.00 C ATOM 940 O PRO A 66 16.399 -12.307 -1.880 1.00 0.00 O ATOM 941 CB PRO A 66 14.597 -9.934 -3.336 1.00 0.00 C ATOM 942 CG PRO A 66 14.579 -9.105 -2.061 1.00 0.00 C ATOM 943 CD PRO A 66 14.062 -9.989 -0.938 1.00 0.00 C ATOM 0 HA PRO A 66 13.780 -11.919 -3.584 1.00 0.00 H new ATOM 0 HB2 PRO A 66 15.532 -9.796 -3.878 1.00 0.00 H new ATOM 0 HB3 PRO A 66 13.792 -9.635 -4.007 1.00 0.00 H new ATOM 0 HG2 PRO A 66 15.579 -8.739 -1.829 1.00 0.00 H new ATOM 0 HG3 PRO A 66 13.940 -8.230 -2.183 1.00 0.00 H new ATOM 0 HD2 PRO A 66 14.769 -10.030 -0.109 1.00 0.00 H new ATOM 0 HD3 PRO A 66 13.122 -9.611 -0.537 1.00 0.00 H new ATOM 951 N SER A 67 16.092 -12.650 -4.094 1.00 0.00 N ATOM 952 CA SER A 67 17.316 -13.416 -4.258 1.00 0.00 C ATOM 953 C SER A 67 18.303 -12.644 -5.135 1.00 0.00 C ATOM 954 O SER A 67 17.900 -11.805 -5.939 1.00 0.00 O ATOM 955 CB SER A 67 17.028 -14.791 -4.865 1.00 0.00 C ATOM 956 OG SER A 67 17.609 -15.844 -4.102 1.00 0.00 O ATOM 0 H SER A 67 15.547 -12.529 -4.948 1.00 0.00 H new ATOM 0 HA SER A 67 17.758 -13.569 -3.274 1.00 0.00 H new ATOM 0 HB2 SER A 67 15.950 -14.941 -4.928 1.00 0.00 H new ATOM 0 HB3 SER A 67 17.414 -14.826 -5.884 1.00 0.00 H new ATOM 0 HG SER A 67 17.401 -16.705 -4.521 1.00 0.00 H new ATOM 962 N SER A 68 19.578 -12.955 -4.951 1.00 0.00 N ATOM 963 CA SER A 68 20.626 -12.301 -5.716 1.00 0.00 C ATOM 964 C SER A 68 20.592 -12.782 -7.168 1.00 0.00 C ATOM 965 O SER A 68 20.694 -13.979 -7.431 1.00 0.00 O ATOM 966 CB SER A 68 22.002 -12.564 -5.101 1.00 0.00 C ATOM 967 OG SER A 68 22.513 -11.418 -4.426 1.00 0.00 O ATOM 0 H SER A 68 19.909 -13.651 -4.283 1.00 0.00 H new ATOM 0 HA SER A 68 20.447 -11.226 -5.692 1.00 0.00 H new ATOM 0 HB2 SER A 68 21.933 -13.396 -4.401 1.00 0.00 H new ATOM 0 HB3 SER A 68 22.698 -12.864 -5.885 1.00 0.00 H new ATOM 0 HG SER A 68 23.392 -11.627 -4.046 1.00 0.00 H new ATOM 973 N GLY A 69 20.449 -11.824 -8.072 1.00 0.00 N ATOM 974 CA GLY A 69 20.401 -12.135 -9.490 1.00 0.00 C ATOM 975 C GLY A 69 21.426 -11.308 -10.268 1.00 0.00 C ATOM 976 O GLY A 69 21.067 -10.578 -11.191 1.00 0.00 O ATOM 0 H GLY A 69 20.365 -10.832 -7.850 1.00 0.00 H new ATOM 0 HA2 GLY A 69 20.596 -13.197 -9.640 1.00 0.00 H new ATOM 0 HA3 GLY A 69 19.401 -11.937 -9.876 1.00 0.00 H new TER 980 GLY A 69