USER MOD reduce.3.24.130724 H: found=0, std=0, add=493, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 494 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 26 TYR OH : rot 130:sc= 0.552 USER MOD Set 1.2: A 36 THR OG1 : rot 142:sc= 0.579 USER MOD Set 2.1: A 16 ASN : amide:sc= -4.71! C(o=-3.6!,f=-11!) USER MOD Set 2.2: A 18 THR OG1 : rot 110:sc= 1.16 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 TYR OH : rot -112:sc= -2.9! USER MOD Single : A 10 ASN : amide:sc= -0.752 K(o=-0.75,f=-6.3!) USER MOD Single : A 14 LYS NZ :NH3+ -162:sc= 0 (180deg=-0.174) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 35 ASN :FLIP amide:sc= -0.458 F(o=-1,f=-0.46) USER MOD Single : A 38 ASN : amide:sc= -0.667 K(o=-0.67,f=-5.9!) USER MOD Single : A 42 ASN : amide:sc= -6.42! C(o=-6.4!,f=-17!) USER MOD Single : A 48 ASN : amide:sc= 0.844 K(o=0.84,f=-0.75) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 TYR OH : rot 124:sc= -0.0272 USER MOD Single : A 61 LYS NZ :NH3+ 158:sc= -0.0169 (180deg=-0.248) USER MOD Single : A 65 THR OG1 : rot 180:sc=-0.00717 USER MOD ----------------------------------------------------------------- ATOM 43 N LYS A 4 -0.809 11.569 8.163 1.00 0.00 N ATOM 44 CA LYS A 4 -0.353 10.213 8.420 1.00 0.00 C ATOM 45 C LYS A 4 -0.600 9.353 7.179 1.00 0.00 C ATOM 46 O LYS A 4 -1.655 9.447 6.555 1.00 0.00 O ATOM 47 CB LYS A 4 -1.003 9.660 9.690 1.00 0.00 C ATOM 48 CG LYS A 4 -2.509 9.473 9.498 1.00 0.00 C ATOM 49 CD LYS A 4 -3.265 10.770 9.791 1.00 0.00 C ATOM 50 CE LYS A 4 -4.227 10.591 10.968 1.00 0.00 C ATOM 51 NZ LYS A 4 -4.596 11.906 11.540 1.00 0.00 N ATOM 0 HA LYS A 4 0.721 10.202 8.608 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -0.545 8.706 9.952 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -0.820 10.340 10.522 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -2.712 9.153 8.476 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -2.868 8.682 10.157 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -2.555 11.566 10.015 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -3.821 11.079 8.906 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -5.124 10.067 10.636 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -3.762 9.972 11.735 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -5.249 11.767 12.337 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -3.739 12.392 11.875 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -5.059 12.484 10.810 1.00 0.00 H new ATOM 65 N LEU A 5 0.391 8.534 6.859 1.00 0.00 N ATOM 66 CA LEU A 5 0.295 7.658 5.704 1.00 0.00 C ATOM 67 C LEU A 5 1.538 6.769 5.639 1.00 0.00 C ATOM 68 O LEU A 5 2.597 7.136 6.148 1.00 0.00 O ATOM 69 CB LEU A 5 0.055 8.472 4.432 1.00 0.00 C ATOM 70 CG LEU A 5 1.130 9.502 4.082 1.00 0.00 C ATOM 71 CD1 LEU A 5 0.860 10.135 2.715 1.00 0.00 C ATOM 72 CD2 LEU A 5 1.262 10.556 5.184 1.00 0.00 C ATOM 0 H LEU A 5 1.265 8.459 7.380 1.00 0.00 H new ATOM 0 HA LEU A 5 -0.566 6.997 5.799 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -0.044 7.781 3.595 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -0.899 8.991 4.531 1.00 0.00 H new ATOM 0 HG LEU A 5 2.087 8.985 4.015 1.00 0.00 H new ATOM 0 HD11 LEU A 5 1.639 10.863 2.491 1.00 0.00 H new ATOM 0 HD12 LEU A 5 0.857 9.359 1.949 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -0.109 10.634 2.730 1.00 0.00 H new ATOM 0 HD21 LEU A 5 2.033 11.275 4.909 1.00 0.00 H new ATOM 0 HD22 LEU A 5 0.311 11.073 5.308 1.00 0.00 H new ATOM 0 HD23 LEU A 5 1.536 10.071 6.121 1.00 0.00 H new ATOM 84 N TYR A 6 1.371 5.616 5.008 1.00 0.00 N ATOM 85 CA TYR A 6 2.466 4.672 4.869 1.00 0.00 C ATOM 86 C TYR A 6 2.320 3.846 3.589 1.00 0.00 C ATOM 87 O TYR A 6 1.290 3.211 3.371 1.00 0.00 O ATOM 88 CB TYR A 6 2.374 3.737 6.078 1.00 0.00 C ATOM 89 CG TYR A 6 3.614 2.868 6.288 1.00 0.00 C ATOM 90 CD1 TYR A 6 4.005 1.974 5.312 1.00 0.00 C ATOM 91 CD2 TYR A 6 4.343 2.977 7.456 1.00 0.00 C ATOM 92 CE1 TYR A 6 5.173 1.156 5.510 1.00 0.00 C ATOM 93 CE2 TYR A 6 5.510 2.157 7.654 1.00 0.00 C ATOM 94 CZ TYR A 6 5.868 1.288 6.672 1.00 0.00 C ATOM 95 OH TYR A 6 6.971 0.515 6.860 1.00 0.00 O ATOM 0 H TYR A 6 0.492 5.314 4.587 1.00 0.00 H new ATOM 0 HA TYR A 6 3.420 5.197 4.818 1.00 0.00 H new ATOM 0 HB2 TYR A 6 2.206 4.334 6.974 1.00 0.00 H new ATOM 0 HB3 TYR A 6 1.505 3.090 5.958 1.00 0.00 H new ATOM 0 HD1 TYR A 6 3.434 1.888 4.399 1.00 0.00 H new ATOM 0 HD2 TYR A 6 4.038 3.677 8.220 1.00 0.00 H new ATOM 0 HE1 TYR A 6 5.490 0.454 4.753 1.00 0.00 H new ATOM 0 HE2 TYR A 6 6.088 2.231 8.563 1.00 0.00 H new ATOM 0 HH TYR A 6 6.799 -0.132 7.576 1.00 0.00 H new ATOM 105 N GLY A 7 3.367 3.882 2.778 1.00 0.00 N ATOM 106 CA GLY A 7 3.368 3.146 1.525 1.00 0.00 C ATOM 107 C GLY A 7 2.288 3.673 0.578 1.00 0.00 C ATOM 108 O GLY A 7 1.373 2.941 0.205 1.00 0.00 O ATOM 0 H GLY A 7 4.220 4.409 2.964 1.00 0.00 H new ATOM 0 HA2 GLY A 7 4.346 3.231 1.050 1.00 0.00 H new ATOM 0 HA3 GLY A 7 3.199 2.087 1.721 1.00 0.00 H new ATOM 112 N ASP A 8 2.431 4.940 0.216 1.00 0.00 N ATOM 113 CA ASP A 8 1.481 5.573 -0.681 1.00 0.00 C ATOM 114 C ASP A 8 1.953 5.398 -2.126 1.00 0.00 C ATOM 115 O ASP A 8 3.152 5.316 -2.385 1.00 0.00 O ATOM 116 CB ASP A 8 1.372 7.074 -0.399 1.00 0.00 C ATOM 117 CG ASP A 8 -0.045 7.645 -0.474 1.00 0.00 C ATOM 118 OD1 ASP A 8 -0.889 6.986 -1.121 1.00 0.00 O ATOM 119 OD2 ASP A 8 -0.253 8.728 0.115 1.00 0.00 O ATOM 0 H ASP A 8 3.191 5.545 0.528 1.00 0.00 H new ATOM 0 HA ASP A 8 0.509 5.104 -0.526 1.00 0.00 H new ATOM 0 HB2 ASP A 8 1.775 7.272 0.594 1.00 0.00 H new ATOM 0 HB3 ASP A 8 2.001 7.609 -1.111 1.00 0.00 H new ATOM 124 N VAL A 9 0.985 5.345 -3.029 1.00 0.00 N ATOM 125 CA VAL A 9 1.287 5.182 -4.441 1.00 0.00 C ATOM 126 C VAL A 9 1.229 6.545 -5.133 1.00 0.00 C ATOM 127 O VAL A 9 2.198 6.967 -5.762 1.00 0.00 O ATOM 128 CB VAL A 9 0.338 4.155 -5.063 1.00 0.00 C ATOM 129 CG1 VAL A 9 0.550 4.057 -6.575 1.00 0.00 C ATOM 130 CG2 VAL A 9 0.499 2.786 -4.397 1.00 0.00 C ATOM 0 H VAL A 9 -0.009 5.412 -2.810 1.00 0.00 H new ATOM 0 HA VAL A 9 2.297 4.794 -4.573 1.00 0.00 H new ATOM 0 HB VAL A 9 -0.683 4.495 -4.889 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -0.137 3.320 -6.992 1.00 0.00 H new ATOM 0 HG12 VAL A 9 0.362 5.028 -7.033 1.00 0.00 H new ATOM 0 HG13 VAL A 9 1.576 3.752 -6.780 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -0.187 2.075 -4.857 1.00 0.00 H new ATOM 0 HG22 VAL A 9 1.524 2.437 -4.525 1.00 0.00 H new ATOM 0 HG23 VAL A 9 0.275 2.870 -3.334 1.00 0.00 H new ATOM 140 N ASN A 10 0.083 7.196 -4.993 1.00 0.00 N ATOM 141 CA ASN A 10 -0.114 8.502 -5.597 1.00 0.00 C ATOM 142 C ASN A 10 -0.117 9.571 -4.500 1.00 0.00 C ATOM 143 O ASN A 10 -0.701 10.639 -4.671 1.00 0.00 O ATOM 144 CB ASN A 10 -1.455 8.574 -6.329 1.00 0.00 C ATOM 145 CG ASN A 10 -2.520 7.747 -5.606 1.00 0.00 C ATOM 146 OD1 ASN A 10 -2.474 7.544 -4.404 1.00 0.00 O ATOM 147 ND2 ASN A 10 -3.479 7.284 -6.404 1.00 0.00 N ATOM 0 H ASN A 10 -0.718 6.843 -4.470 1.00 0.00 H new ATOM 0 HA ASN A 10 0.695 8.670 -6.308 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -1.780 9.612 -6.398 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -1.336 8.209 -7.349 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -4.237 6.721 -6.017 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -3.456 7.492 -7.402 1.00 0.00 H new ATOM 154 N ASP A 11 0.543 9.244 -3.399 1.00 0.00 N ATOM 155 CA ASP A 11 0.624 10.162 -2.275 1.00 0.00 C ATOM 156 C ASP A 11 -0.776 10.687 -1.949 1.00 0.00 C ATOM 157 O ASP A 11 -0.948 11.871 -1.669 1.00 0.00 O ATOM 158 CB ASP A 11 1.514 11.362 -2.607 1.00 0.00 C ATOM 159 CG ASP A 11 0.927 12.338 -3.628 1.00 0.00 C ATOM 160 OD1 ASP A 11 1.174 12.115 -4.834 1.00 0.00 O ATOM 161 OD2 ASP A 11 0.246 13.285 -3.182 1.00 0.00 O ATOM 0 H ASP A 11 1.027 8.357 -3.261 1.00 0.00 H new ATOM 0 HA ASP A 11 1.048 9.622 -1.428 1.00 0.00 H new ATOM 0 HB2 ASP A 11 1.724 11.906 -1.686 1.00 0.00 H new ATOM 0 HB3 ASP A 11 2.468 10.994 -2.985 1.00 0.00 H new ATOM 166 N ASP A 12 -1.739 9.778 -1.997 1.00 0.00 N ATOM 167 CA ASP A 12 -3.118 10.136 -1.710 1.00 0.00 C ATOM 168 C ASP A 12 -3.437 9.789 -0.255 1.00 0.00 C ATOM 169 O ASP A 12 -3.934 10.630 0.493 1.00 0.00 O ATOM 170 CB ASP A 12 -4.086 9.358 -2.605 1.00 0.00 C ATOM 171 CG ASP A 12 -5.508 9.224 -2.056 1.00 0.00 C ATOM 172 OD1 ASP A 12 -6.285 10.183 -2.253 1.00 0.00 O ATOM 173 OD2 ASP A 12 -5.786 8.166 -1.453 1.00 0.00 O ATOM 0 H ASP A 12 -1.592 8.796 -2.230 1.00 0.00 H new ATOM 0 HA ASP A 12 -3.235 11.204 -1.894 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -4.133 9.849 -3.577 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -3.681 8.360 -2.771 1.00 0.00 H new ATOM 178 N GLY A 13 -3.141 8.548 0.104 1.00 0.00 N ATOM 179 CA GLY A 13 -3.391 8.080 1.457 1.00 0.00 C ATOM 180 C GLY A 13 -2.512 6.873 1.790 1.00 0.00 C ATOM 181 O GLY A 13 -1.874 6.836 2.842 1.00 0.00 O ATOM 0 H GLY A 13 -2.730 7.852 -0.519 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -3.195 8.884 2.166 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -4.442 7.810 1.564 1.00 0.00 H new ATOM 185 N LYS A 14 -2.505 5.916 0.875 1.00 0.00 N ATOM 186 CA LYS A 14 -1.714 4.710 1.059 1.00 0.00 C ATOM 187 C LYS A 14 -1.911 3.789 -0.147 1.00 0.00 C ATOM 188 O LYS A 14 -2.804 4.009 -0.962 1.00 0.00 O ATOM 189 CB LYS A 14 -2.046 4.050 2.398 1.00 0.00 C ATOM 190 CG LYS A 14 -3.560 3.947 2.597 1.00 0.00 C ATOM 191 CD LYS A 14 -3.961 4.399 4.003 1.00 0.00 C ATOM 192 CE LYS A 14 -5.431 4.820 4.046 1.00 0.00 C ATOM 193 NZ LYS A 14 -5.590 6.201 3.537 1.00 0.00 N ATOM 0 H LYS A 14 -3.034 5.950 0.004 1.00 0.00 H new ATOM 0 HA LYS A 14 -0.653 4.953 1.106 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -1.602 3.055 2.438 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -1.607 4.628 3.211 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -4.070 4.561 1.855 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -3.882 2.918 2.436 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -3.790 3.589 4.712 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -3.331 5.232 4.314 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -6.030 4.134 3.447 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -5.803 4.758 5.069 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -6.507 6.581 3.846 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -4.824 6.798 3.909 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -5.550 6.195 2.498 1.00 0.00 H new ATOM 207 N VAL A 15 -1.060 2.775 -0.220 1.00 0.00 N ATOM 208 CA VAL A 15 -1.129 1.819 -1.313 1.00 0.00 C ATOM 209 C VAL A 15 -2.150 0.733 -0.970 1.00 0.00 C ATOM 210 O VAL A 15 -1.917 -0.087 -0.084 1.00 0.00 O ATOM 211 CB VAL A 15 0.264 1.258 -1.605 1.00 0.00 C ATOM 212 CG1 VAL A 15 0.798 0.465 -0.410 1.00 0.00 C ATOM 213 CG2 VAL A 15 0.255 0.400 -2.872 1.00 0.00 C ATOM 0 H VAL A 15 -0.320 2.595 0.459 1.00 0.00 H new ATOM 0 HA VAL A 15 -1.467 2.307 -2.227 1.00 0.00 H new ATOM 0 HB VAL A 15 0.935 2.100 -1.775 1.00 0.00 H new ATOM 0 HG11 VAL A 15 1.789 0.077 -0.644 1.00 0.00 H new ATOM 0 HG12 VAL A 15 0.860 1.117 0.461 1.00 0.00 H new ATOM 0 HG13 VAL A 15 0.125 -0.365 -0.194 1.00 0.00 H new ATOM 0 HG21 VAL A 15 1.257 0.014 -3.057 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -0.437 -0.432 -2.743 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -0.062 1.007 -3.720 1.00 0.00 H new ATOM 223 N ASN A 16 -3.262 0.763 -1.691 1.00 0.00 N ATOM 224 CA ASN A 16 -4.322 -0.208 -1.475 1.00 0.00 C ATOM 225 C ASN A 16 -5.056 -0.458 -2.794 1.00 0.00 C ATOM 226 O ASN A 16 -4.649 0.045 -3.840 1.00 0.00 O ATOM 227 CB ASN A 16 -5.340 0.305 -0.455 1.00 0.00 C ATOM 228 CG ASN A 16 -5.899 1.666 -0.876 1.00 0.00 C ATOM 229 OD1 ASN A 16 -7.078 1.825 -1.142 1.00 0.00 O ATOM 230 ND2 ASN A 16 -4.988 2.634 -0.920 1.00 0.00 N ATOM 0 H ASN A 16 -3.452 1.445 -2.426 1.00 0.00 H new ATOM 0 HA ASN A 16 -3.868 -1.125 -1.100 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -6.155 -0.412 -0.357 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -4.869 0.388 0.524 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -5.261 3.579 -1.189 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -4.017 2.431 -0.684 1.00 0.00 H new ATOM 237 N SER A 17 -6.127 -1.233 -2.700 1.00 0.00 N ATOM 238 CA SER A 17 -6.922 -1.554 -3.873 1.00 0.00 C ATOM 239 C SER A 17 -7.237 -0.279 -4.657 1.00 0.00 C ATOM 240 O SER A 17 -7.499 -0.333 -5.858 1.00 0.00 O ATOM 241 CB SER A 17 -8.218 -2.268 -3.481 1.00 0.00 C ATOM 242 OG SER A 17 -9.140 -2.332 -4.564 1.00 0.00 O ATOM 0 H SER A 17 -6.462 -1.648 -1.830 1.00 0.00 H new ATOM 0 HA SER A 17 -6.343 -2.228 -4.504 1.00 0.00 H new ATOM 0 HB2 SER A 17 -7.987 -3.278 -3.141 1.00 0.00 H new ATOM 0 HB3 SER A 17 -8.680 -1.747 -2.642 1.00 0.00 H new ATOM 0 HG SER A 17 -9.953 -2.796 -4.274 1.00 0.00 H new ATOM 248 N THR A 18 -7.199 0.840 -3.948 1.00 0.00 N ATOM 249 CA THR A 18 -7.476 2.126 -4.563 1.00 0.00 C ATOM 250 C THR A 18 -6.345 2.516 -5.517 1.00 0.00 C ATOM 251 O THR A 18 -6.596 3.014 -6.613 1.00 0.00 O ATOM 252 CB THR A 18 -7.707 3.145 -3.446 1.00 0.00 C ATOM 253 OG1 THR A 18 -8.838 2.638 -2.743 1.00 0.00 O ATOM 254 CG2 THR A 18 -8.175 4.501 -3.977 1.00 0.00 C ATOM 0 H THR A 18 -6.980 0.882 -2.953 1.00 0.00 H new ATOM 0 HA THR A 18 -8.376 2.085 -5.176 1.00 0.00 H new ATOM 0 HB THR A 18 -6.786 3.277 -2.879 1.00 0.00 H new ATOM 0 HG1 THR A 18 -8.558 2.320 -1.859 1.00 0.00 H new ATOM 0 HG21 THR A 18 -8.324 5.187 -3.143 1.00 0.00 H new ATOM 0 HG22 THR A 18 -7.421 4.908 -4.651 1.00 0.00 H new ATOM 0 HG23 THR A 18 -9.114 4.376 -4.516 1.00 0.00 H new ATOM 262 N ASP A 19 -5.123 2.275 -5.063 1.00 0.00 N ATOM 263 CA ASP A 19 -3.952 2.595 -5.863 1.00 0.00 C ATOM 264 C ASP A 19 -3.549 1.369 -6.683 1.00 0.00 C ATOM 265 O ASP A 19 -2.386 1.221 -7.055 1.00 0.00 O ATOM 266 CB ASP A 19 -2.767 2.980 -4.974 1.00 0.00 C ATOM 267 CG ASP A 19 -2.945 4.281 -4.188 1.00 0.00 C ATOM 268 OD1 ASP A 19 -3.857 5.049 -4.561 1.00 0.00 O ATOM 269 OD2 ASP A 19 -2.163 4.476 -3.233 1.00 0.00 O ATOM 0 H ASP A 19 -4.919 1.863 -4.153 1.00 0.00 H new ATOM 0 HA ASP A 19 -4.205 3.434 -6.511 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -2.582 2.169 -4.269 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -1.878 3.069 -5.598 1.00 0.00 H new ATOM 274 N ALA A 20 -4.532 0.519 -6.940 1.00 0.00 N ATOM 275 CA ALA A 20 -4.295 -0.691 -7.709 1.00 0.00 C ATOM 276 C ALA A 20 -3.832 -0.311 -9.117 1.00 0.00 C ATOM 277 O ALA A 20 -2.959 -0.966 -9.685 1.00 0.00 O ATOM 278 CB ALA A 20 -5.564 -1.545 -7.722 1.00 0.00 C ATOM 0 H ALA A 20 -5.495 0.644 -6.629 1.00 0.00 H new ATOM 0 HA ALA A 20 -3.506 -1.289 -7.252 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -5.386 -2.453 -8.299 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -5.834 -1.812 -6.700 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -6.378 -0.980 -8.176 1.00 0.00 H new ATOM 284 N VAL A 21 -4.439 0.743 -9.642 1.00 0.00 N ATOM 285 CA VAL A 21 -4.101 1.217 -10.973 1.00 0.00 C ATOM 286 C VAL A 21 -2.585 1.142 -11.165 1.00 0.00 C ATOM 287 O VAL A 21 -2.103 0.445 -12.057 1.00 0.00 O ATOM 288 CB VAL A 21 -4.662 2.624 -11.185 1.00 0.00 C ATOM 289 CG1 VAL A 21 -4.152 3.225 -12.496 1.00 0.00 C ATOM 290 CG2 VAL A 21 -6.191 2.617 -11.143 1.00 0.00 C ATOM 0 H VAL A 21 -5.164 1.283 -9.169 1.00 0.00 H new ATOM 0 HA VAL A 21 -4.557 0.582 -11.733 1.00 0.00 H new ATOM 0 HB VAL A 21 -4.308 3.253 -10.368 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -4.566 4.225 -12.623 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -3.064 3.283 -12.471 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -4.463 2.596 -13.330 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -6.564 3.630 -11.296 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -6.574 1.966 -11.929 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -6.527 2.250 -10.173 1.00 0.00 H new ATOM 300 N ALA A 22 -1.876 1.870 -10.316 1.00 0.00 N ATOM 301 CA ALA A 22 -0.424 1.895 -10.381 1.00 0.00 C ATOM 302 C ALA A 22 0.124 0.531 -9.958 1.00 0.00 C ATOM 303 O ALA A 22 1.180 0.110 -10.429 1.00 0.00 O ATOM 304 CB ALA A 22 0.106 3.034 -9.508 1.00 0.00 C ATOM 0 H ALA A 22 -2.280 2.448 -9.579 1.00 0.00 H new ATOM 0 HA ALA A 22 -0.088 2.083 -11.401 1.00 0.00 H new ATOM 0 HB1 ALA A 22 1.195 3.053 -9.556 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -0.290 3.983 -9.869 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -0.209 2.878 -8.476 1.00 0.00 H new ATOM 310 N LEU A 23 -0.617 -0.121 -9.075 1.00 0.00 N ATOM 311 CA LEU A 23 -0.218 -1.429 -8.583 1.00 0.00 C ATOM 312 C LEU A 23 -0.070 -2.390 -9.764 1.00 0.00 C ATOM 313 O LEU A 23 1.010 -2.929 -10.001 1.00 0.00 O ATOM 314 CB LEU A 23 -1.193 -1.919 -7.510 1.00 0.00 C ATOM 315 CG LEU A 23 -0.638 -2.943 -6.518 1.00 0.00 C ATOM 316 CD1 LEU A 23 -0.213 -2.266 -5.212 1.00 0.00 C ATOM 317 CD2 LEU A 23 -1.641 -4.073 -6.277 1.00 0.00 C ATOM 0 H LEU A 23 -1.492 0.232 -8.687 1.00 0.00 H new ATOM 0 HA LEU A 23 0.755 -1.371 -8.094 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -1.549 -1.055 -6.949 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -2.059 -2.356 -8.007 1.00 0.00 H new ATOM 0 HG LEU A 23 0.254 -3.392 -6.954 1.00 0.00 H new ATOM 0 HD11 LEU A 23 0.178 -3.016 -4.524 1.00 0.00 H new ATOM 0 HD12 LEU A 23 0.560 -1.526 -5.420 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -1.074 -1.773 -4.761 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -1.221 -4.787 -5.568 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -2.565 -3.659 -5.872 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -1.853 -4.579 -7.219 1.00 0.00 H new ATOM 329 N LYS A 24 -1.173 -2.577 -10.476 1.00 0.00 N ATOM 330 CA LYS A 24 -1.180 -3.464 -11.626 1.00 0.00 C ATOM 331 C LYS A 24 0.049 -3.179 -12.492 1.00 0.00 C ATOM 332 O LYS A 24 0.750 -4.102 -12.903 1.00 0.00 O ATOM 333 CB LYS A 24 -2.504 -3.349 -12.383 1.00 0.00 C ATOM 334 CG LYS A 24 -2.627 -4.445 -13.444 1.00 0.00 C ATOM 335 CD LYS A 24 -3.041 -3.856 -14.795 1.00 0.00 C ATOM 336 CE LYS A 24 -2.826 -4.867 -15.923 1.00 0.00 C ATOM 337 NZ LYS A 24 -3.916 -4.773 -16.918 1.00 0.00 N ATOM 0 H LYS A 24 -2.068 -2.129 -10.278 1.00 0.00 H new ATOM 0 HA LYS A 24 -1.111 -4.503 -11.305 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -3.335 -3.422 -11.682 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -2.572 -2.370 -12.857 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -1.675 -4.965 -13.547 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -3.362 -5.184 -13.125 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -4.090 -3.561 -14.761 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -2.463 -2.954 -14.995 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -1.867 -4.682 -16.407 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -2.787 -5.876 -15.512 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -3.754 -5.466 -17.676 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -4.826 -4.972 -16.456 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -3.935 -3.815 -17.323 1.00 0.00 H new ATOM 351 N ARG A 25 0.272 -1.897 -12.744 1.00 0.00 N ATOM 352 CA ARG A 25 1.405 -1.479 -13.552 1.00 0.00 C ATOM 353 C ARG A 25 2.717 -1.871 -12.872 1.00 0.00 C ATOM 354 O ARG A 25 3.701 -2.178 -13.543 1.00 0.00 O ATOM 355 CB ARG A 25 1.389 0.034 -13.781 1.00 0.00 C ATOM 356 CG ARG A 25 0.572 0.392 -15.024 1.00 0.00 C ATOM 357 CD ARG A 25 -0.469 1.468 -14.705 1.00 0.00 C ATOM 358 NE ARG A 25 -1.466 1.546 -15.796 1.00 0.00 N ATOM 359 CZ ARG A 25 -1.225 2.091 -16.996 1.00 0.00 C ATOM 360 NH1 ARG A 25 -0.019 2.609 -17.268 1.00 0.00 N ATOM 361 NH2 ARG A 25 -2.191 2.119 -17.925 1.00 0.00 N ATOM 0 H ARG A 25 -0.313 -1.134 -12.403 1.00 0.00 H new ATOM 0 HA ARG A 25 1.328 -1.982 -14.516 1.00 0.00 H new ATOM 0 HB2 ARG A 25 0.968 0.533 -12.908 1.00 0.00 H new ATOM 0 HB3 ARG A 25 2.410 0.399 -13.895 1.00 0.00 H new ATOM 0 HG2 ARG A 25 1.237 0.747 -15.811 1.00 0.00 H new ATOM 0 HG3 ARG A 25 0.074 -0.499 -15.405 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -0.966 1.237 -13.763 1.00 0.00 H new ATOM 0 HD3 ARG A 25 0.021 2.434 -14.579 1.00 0.00 H new ATOM 0 HE ARG A 25 -2.395 1.161 -15.624 1.00 0.00 H new ATOM 0 HH11 ARG A 25 0.716 2.588 -16.561 1.00 0.00 H new ATOM 0 HH12 ARG A 25 0.164 3.024 -18.182 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -3.109 1.726 -17.718 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -2.008 2.534 -18.839 1.00 0.00 H new ATOM 375 N TYR A 26 2.689 -1.850 -11.547 1.00 0.00 N ATOM 376 CA TYR A 26 3.865 -2.199 -10.769 1.00 0.00 C ATOM 377 C TYR A 26 4.124 -3.707 -10.813 1.00 0.00 C ATOM 378 O TYR A 26 5.258 -4.139 -11.016 1.00 0.00 O ATOM 379 CB TYR A 26 3.554 -1.791 -9.328 1.00 0.00 C ATOM 380 CG TYR A 26 4.795 -1.557 -8.464 1.00 0.00 C ATOM 381 CD1 TYR A 26 5.630 -2.611 -8.158 1.00 0.00 C ATOM 382 CD2 TYR A 26 5.080 -0.291 -7.993 1.00 0.00 C ATOM 383 CE1 TYR A 26 6.799 -2.391 -7.345 1.00 0.00 C ATOM 384 CE2 TYR A 26 6.248 -0.071 -7.182 1.00 0.00 C ATOM 385 CZ TYR A 26 7.050 -1.131 -6.897 1.00 0.00 C ATOM 386 OH TYR A 26 8.154 -0.924 -6.130 1.00 0.00 O ATOM 0 H TYR A 26 1.871 -1.597 -10.993 1.00 0.00 H new ATOM 0 HA TYR A 26 4.749 -1.698 -11.165 1.00 0.00 H new ATOM 0 HB2 TYR A 26 2.956 -0.880 -9.341 1.00 0.00 H new ATOM 0 HB3 TYR A 26 2.943 -2.567 -8.866 1.00 0.00 H new ATOM 0 HD1 TYR A 26 5.408 -3.601 -8.528 1.00 0.00 H new ATOM 0 HD2 TYR A 26 4.426 0.534 -8.233 1.00 0.00 H new ATOM 0 HE1 TYR A 26 7.461 -3.208 -7.097 1.00 0.00 H new ATOM 0 HE2 TYR A 26 6.482 0.915 -6.808 1.00 0.00 H new ATOM 0 HH TYR A 26 8.663 -0.167 -6.488 1.00 0.00 H new ATOM 396 N VAL A 27 3.054 -4.464 -10.622 1.00 0.00 N ATOM 397 CA VAL A 27 3.151 -5.914 -10.639 1.00 0.00 C ATOM 398 C VAL A 27 3.683 -6.370 -11.999 1.00 0.00 C ATOM 399 O VAL A 27 4.584 -7.205 -12.070 1.00 0.00 O ATOM 400 CB VAL A 27 1.797 -6.534 -10.287 1.00 0.00 C ATOM 401 CG1 VAL A 27 1.922 -8.045 -10.086 1.00 0.00 C ATOM 402 CG2 VAL A 27 1.191 -5.864 -9.053 1.00 0.00 C ATOM 0 H VAL A 27 2.116 -4.101 -10.455 1.00 0.00 H new ATOM 0 HA VAL A 27 3.857 -6.258 -9.883 1.00 0.00 H new ATOM 0 HB VAL A 27 1.122 -6.363 -11.125 1.00 0.00 H new ATOM 0 HG11 VAL A 27 0.946 -8.461 -9.837 1.00 0.00 H new ATOM 0 HG12 VAL A 27 2.289 -8.505 -11.004 1.00 0.00 H new ATOM 0 HG13 VAL A 27 2.621 -8.247 -9.274 1.00 0.00 H new ATOM 0 HG21 VAL A 27 0.229 -6.324 -8.825 1.00 0.00 H new ATOM 0 HG22 VAL A 27 1.863 -5.989 -8.204 1.00 0.00 H new ATOM 0 HG23 VAL A 27 1.048 -4.801 -9.249 1.00 0.00 H new ATOM 412 N LEU A 28 3.101 -5.803 -13.046 1.00 0.00 N ATOM 413 CA LEU A 28 3.505 -6.141 -14.400 1.00 0.00 C ATOM 414 C LEU A 28 4.988 -5.811 -14.583 1.00 0.00 C ATOM 415 O LEU A 28 5.741 -6.609 -15.139 1.00 0.00 O ATOM 416 CB LEU A 28 2.591 -5.456 -15.419 1.00 0.00 C ATOM 417 CG LEU A 28 1.663 -6.376 -16.213 1.00 0.00 C ATOM 418 CD1 LEU A 28 0.374 -6.656 -15.439 1.00 0.00 C ATOM 419 CD2 LEU A 28 1.383 -5.804 -17.605 1.00 0.00 C ATOM 0 H LEU A 28 2.353 -5.112 -12.984 1.00 0.00 H new ATOM 0 HA LEU A 28 3.393 -7.211 -14.575 1.00 0.00 H new ATOM 0 HB2 LEU A 28 1.980 -4.722 -14.893 1.00 0.00 H new ATOM 0 HB3 LEU A 28 3.214 -4.906 -16.124 1.00 0.00 H new ATOM 0 HG LEU A 28 2.168 -7.332 -16.353 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -0.268 -7.313 -16.026 1.00 0.00 H new ATOM 0 HD12 LEU A 28 0.616 -7.138 -14.492 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -0.146 -5.718 -15.247 1.00 0.00 H new ATOM 0 HD21 LEU A 28 0.721 -6.478 -18.149 1.00 0.00 H new ATOM 0 HD22 LEU A 28 0.908 -4.828 -17.508 1.00 0.00 H new ATOM 0 HD23 LEU A 28 2.321 -5.699 -18.151 1.00 0.00 H new ATOM 431 N ARG A 29 5.361 -4.633 -14.106 1.00 0.00 N ATOM 432 CA ARG A 29 6.741 -4.187 -14.210 1.00 0.00 C ATOM 433 C ARG A 29 6.937 -2.884 -13.432 1.00 0.00 C ATOM 434 O ARG A 29 5.989 -2.350 -12.857 1.00 0.00 O ATOM 435 CB ARG A 29 7.140 -3.967 -15.669 1.00 0.00 C ATOM 436 CG ARG A 29 6.138 -3.054 -16.381 1.00 0.00 C ATOM 437 CD ARG A 29 6.389 -1.586 -16.031 1.00 0.00 C ATOM 438 NE ARG A 29 6.590 -0.798 -17.266 1.00 0.00 N ATOM 439 CZ ARG A 29 7.764 -0.685 -17.902 1.00 0.00 C ATOM 440 NH1 ARG A 29 8.849 -1.307 -17.422 1.00 0.00 N ATOM 441 NH2 ARG A 29 7.853 0.053 -19.018 1.00 0.00 N ATOM 0 H ARG A 29 4.733 -3.974 -13.647 1.00 0.00 H new ATOM 0 HA ARG A 29 7.375 -4.966 -13.786 1.00 0.00 H new ATOM 0 HB2 ARG A 29 8.136 -3.526 -15.715 1.00 0.00 H new ATOM 0 HB3 ARG A 29 7.193 -4.926 -16.184 1.00 0.00 H new ATOM 0 HG2 ARG A 29 6.216 -3.193 -17.459 1.00 0.00 H new ATOM 0 HG3 ARG A 29 5.123 -3.331 -16.097 1.00 0.00 H new ATOM 0 HD2 ARG A 29 5.544 -1.188 -15.470 1.00 0.00 H new ATOM 0 HD3 ARG A 29 7.266 -1.502 -15.389 1.00 0.00 H new ATOM 0 HE ARG A 29 5.785 -0.310 -17.658 1.00 0.00 H new ATOM 0 HH11 ARG A 29 8.782 -1.867 -16.572 1.00 0.00 H new ATOM 0 HH12 ARG A 29 9.742 -1.221 -17.906 1.00 0.00 H new ATOM 0 HH21 ARG A 29 7.027 0.528 -19.382 1.00 0.00 H new ATOM 0 HH22 ARG A 29 8.746 0.139 -19.502 1.00 0.00 H new ATOM 455 N SER A 30 8.174 -2.408 -13.440 1.00 0.00 N ATOM 456 CA SER A 30 8.506 -1.178 -12.743 1.00 0.00 C ATOM 457 C SER A 30 8.731 -0.049 -13.752 1.00 0.00 C ATOM 458 O SER A 30 9.825 0.093 -14.296 1.00 0.00 O ATOM 459 CB SER A 30 9.747 -1.359 -11.865 1.00 0.00 C ATOM 460 OG SER A 30 9.456 -1.167 -10.484 1.00 0.00 O ATOM 0 H SER A 30 8.958 -2.852 -13.918 1.00 0.00 H new ATOM 0 HA SER A 30 7.670 -0.917 -12.094 1.00 0.00 H new ATOM 0 HB2 SER A 30 10.154 -2.359 -12.014 1.00 0.00 H new ATOM 0 HB3 SER A 30 10.517 -0.652 -12.175 1.00 0.00 H new ATOM 0 HG SER A 30 10.273 -1.293 -9.957 1.00 0.00 H new ATOM 466 N GLY A 31 7.678 0.724 -13.970 1.00 0.00 N ATOM 467 CA GLY A 31 7.746 1.836 -14.904 1.00 0.00 C ATOM 468 C GLY A 31 7.103 3.091 -14.310 1.00 0.00 C ATOM 469 O GLY A 31 7.702 4.166 -14.323 1.00 0.00 O ATOM 0 H GLY A 31 6.773 0.603 -13.516 1.00 0.00 H new ATOM 0 HA2 GLY A 31 8.786 2.041 -15.156 1.00 0.00 H new ATOM 0 HA3 GLY A 31 7.240 1.568 -15.832 1.00 0.00 H new ATOM 473 N ILE A 32 5.892 2.913 -13.802 1.00 0.00 N ATOM 474 CA ILE A 32 5.161 4.017 -13.205 1.00 0.00 C ATOM 475 C ILE A 32 5.966 4.580 -12.032 1.00 0.00 C ATOM 476 O ILE A 32 6.815 3.891 -11.469 1.00 0.00 O ATOM 477 CB ILE A 32 3.745 3.580 -12.826 1.00 0.00 C ATOM 478 CG1 ILE A 32 3.774 2.321 -11.957 1.00 0.00 C ATOM 479 CG2 ILE A 32 2.876 3.397 -14.072 1.00 0.00 C ATOM 480 CD1 ILE A 32 2.921 2.504 -10.700 1.00 0.00 C ATOM 0 H ILE A 32 5.399 2.020 -13.792 1.00 0.00 H new ATOM 0 HA ILE A 32 5.037 4.826 -13.925 1.00 0.00 H new ATOM 0 HB ILE A 32 3.291 4.372 -12.230 1.00 0.00 H new ATOM 0 HG12 ILE A 32 3.406 1.470 -12.530 1.00 0.00 H new ATOM 0 HG13 ILE A 32 4.802 2.094 -11.674 1.00 0.00 H new ATOM 0 HG21 ILE A 32 1.874 3.086 -13.775 1.00 0.00 H new ATOM 0 HG22 ILE A 32 2.817 4.340 -14.616 1.00 0.00 H new ATOM 0 HG23 ILE A 32 3.317 2.635 -14.714 1.00 0.00 H new ATOM 0 HD11 ILE A 32 2.958 1.595 -10.099 1.00 0.00 H new ATOM 0 HD12 ILE A 32 3.307 3.340 -10.117 1.00 0.00 H new ATOM 0 HD13 ILE A 32 1.889 2.707 -10.987 1.00 0.00 H new ATOM 492 N SER A 33 5.669 5.828 -11.697 1.00 0.00 N ATOM 493 CA SER A 33 6.355 6.492 -10.601 1.00 0.00 C ATOM 494 C SER A 33 5.472 6.485 -9.351 1.00 0.00 C ATOM 495 O SER A 33 4.359 7.008 -9.371 1.00 0.00 O ATOM 496 CB SER A 33 6.733 7.926 -10.976 1.00 0.00 C ATOM 497 OG SER A 33 8.003 7.992 -11.619 1.00 0.00 O ATOM 0 H SER A 33 4.963 6.396 -12.165 1.00 0.00 H new ATOM 0 HA SER A 33 7.275 5.946 -10.392 1.00 0.00 H new ATOM 0 HB2 SER A 33 5.971 8.341 -11.635 1.00 0.00 H new ATOM 0 HB3 SER A 33 6.749 8.544 -10.078 1.00 0.00 H new ATOM 0 HG SER A 33 8.208 8.924 -11.844 1.00 0.00 H new ATOM 503 N ILE A 34 6.001 5.885 -8.295 1.00 0.00 N ATOM 504 CA ILE A 34 5.275 5.803 -7.039 1.00 0.00 C ATOM 505 C ILE A 34 6.251 5.998 -5.878 1.00 0.00 C ATOM 506 O ILE A 34 7.451 6.164 -6.091 1.00 0.00 O ATOM 507 CB ILE A 34 4.482 4.497 -6.963 1.00 0.00 C ATOM 508 CG1 ILE A 34 5.410 3.305 -6.726 1.00 0.00 C ATOM 509 CG2 ILE A 34 3.615 4.309 -8.210 1.00 0.00 C ATOM 510 CD1 ILE A 34 4.741 2.256 -5.834 1.00 0.00 C ATOM 0 H ILE A 34 6.924 5.451 -8.283 1.00 0.00 H new ATOM 0 HA ILE A 34 4.536 6.602 -6.973 1.00 0.00 H new ATOM 0 HB ILE A 34 3.809 4.556 -6.108 1.00 0.00 H new ATOM 0 HG12 ILE A 34 5.681 2.855 -7.681 1.00 0.00 H new ATOM 0 HG13 ILE A 34 6.335 3.647 -6.261 1.00 0.00 H new ATOM 0 HG21 ILE A 34 3.062 3.373 -8.131 1.00 0.00 H new ATOM 0 HG22 ILE A 34 2.914 5.139 -8.294 1.00 0.00 H new ATOM 0 HG23 ILE A 34 4.251 4.280 -9.095 1.00 0.00 H new ATOM 0 HD11 ILE A 34 5.423 1.419 -5.682 1.00 0.00 H new ATOM 0 HD12 ILE A 34 4.493 2.702 -4.871 1.00 0.00 H new ATOM 0 HD13 ILE A 34 3.830 1.899 -6.313 1.00 0.00 H new ATOM 522 N ASN A 35 5.700 5.971 -4.672 1.00 0.00 N ATOM 523 CA ASN A 35 6.506 6.143 -3.476 1.00 0.00 C ATOM 524 C ASN A 35 6.812 4.772 -2.871 1.00 0.00 C ATOM 525 O ASN A 35 6.372 4.466 -1.764 1.00 0.00 O ATOM 526 CB ASN A 35 5.763 6.970 -2.425 1.00 0.00 C ATOM 527 CG ASN A 35 4.883 8.033 -3.085 1.00 0.00 C ATOM 528 OD1 ASN A 35 3.704 7.579 -3.498 1.00 0.00 O flip ATOM 529 ND2 ASN A 35 5.251 9.190 -3.210 1.00 0.00 N flip ATOM 0 H ASN A 35 4.704 5.832 -4.499 1.00 0.00 H new ATOM 0 HA ASN A 35 7.423 6.660 -3.759 1.00 0.00 H new ATOM 0 HB2 ASN A 35 5.147 6.314 -1.810 1.00 0.00 H new ATOM 0 HB3 ASN A 35 6.481 7.449 -1.760 1.00 0.00 H new ATOM 0 HD21 ASN A 35 6.170 9.472 -2.870 1.00 0.00 H new ATOM 0 HD22 ASN A 35 4.639 9.875 -3.654 1.00 0.00 H new ATOM 536 N THR A 36 7.563 3.982 -3.625 1.00 0.00 N ATOM 537 CA THR A 36 7.933 2.650 -3.176 1.00 0.00 C ATOM 538 C THR A 36 8.870 2.735 -1.969 1.00 0.00 C ATOM 539 O THR A 36 9.136 1.728 -1.315 1.00 0.00 O ATOM 540 CB THR A 36 8.539 1.903 -4.365 1.00 0.00 C ATOM 541 OG1 THR A 36 8.940 0.649 -3.819 1.00 0.00 O ATOM 542 CG2 THR A 36 9.845 2.534 -4.849 1.00 0.00 C ATOM 0 H THR A 36 7.925 4.239 -4.543 1.00 0.00 H new ATOM 0 HA THR A 36 7.062 2.092 -2.832 1.00 0.00 H new ATOM 0 HB THR A 36 7.821 1.882 -5.185 1.00 0.00 H new ATOM 0 HG1 THR A 36 8.769 -0.062 -4.472 1.00 0.00 H new ATOM 0 HG21 THR A 36 10.233 1.965 -5.694 1.00 0.00 H new ATOM 0 HG22 THR A 36 9.659 3.563 -5.159 1.00 0.00 H new ATOM 0 HG23 THR A 36 10.575 2.525 -4.040 1.00 0.00 H new ATOM 550 N ASP A 37 9.343 3.945 -1.712 1.00 0.00 N ATOM 551 CA ASP A 37 10.244 4.174 -0.596 1.00 0.00 C ATOM 552 C ASP A 37 9.787 3.340 0.603 1.00 0.00 C ATOM 553 O ASP A 37 10.422 2.345 0.950 1.00 0.00 O ATOM 554 CB ASP A 37 10.241 5.646 -0.177 1.00 0.00 C ATOM 555 CG ASP A 37 11.462 6.449 -0.626 1.00 0.00 C ATOM 556 OD1 ASP A 37 12.266 5.878 -1.395 1.00 0.00 O ATOM 557 OD2 ASP A 37 11.564 7.617 -0.191 1.00 0.00 O ATOM 0 H ASP A 37 9.119 4.777 -2.257 1.00 0.00 H new ATOM 0 HA ASP A 37 11.248 3.891 -0.911 1.00 0.00 H new ATOM 0 HB2 ASP A 37 9.345 6.120 -0.578 1.00 0.00 H new ATOM 0 HB3 ASP A 37 10.170 5.699 0.909 1.00 0.00 H new ATOM 562 N ASN A 38 8.689 3.777 1.203 1.00 0.00 N ATOM 563 CA ASN A 38 8.140 3.084 2.356 1.00 0.00 C ATOM 564 C ASN A 38 6.819 2.418 1.963 1.00 0.00 C ATOM 565 O ASN A 38 5.789 2.657 2.589 1.00 0.00 O ATOM 566 CB ASN A 38 7.856 4.058 3.501 1.00 0.00 C ATOM 567 CG ASN A 38 7.440 5.429 2.964 1.00 0.00 C ATOM 568 OD1 ASN A 38 8.178 6.098 2.259 1.00 0.00 O ATOM 569 ND2 ASN A 38 6.221 5.808 3.336 1.00 0.00 N ATOM 0 H ASN A 38 8.165 4.602 0.912 1.00 0.00 H new ATOM 0 HA ASN A 38 8.871 2.345 2.685 1.00 0.00 H new ATOM 0 HB2 ASN A 38 7.066 3.657 4.136 1.00 0.00 H new ATOM 0 HB3 ASN A 38 8.744 4.162 4.124 1.00 0.00 H new ATOM 0 HD21 ASN A 38 5.851 6.708 3.030 1.00 0.00 H new ATOM 0 HD22 ASN A 38 5.656 5.199 3.928 1.00 0.00 H new ATOM 576 N ALA A 39 6.894 1.595 0.928 1.00 0.00 N ATOM 577 CA ALA A 39 5.718 0.893 0.443 1.00 0.00 C ATOM 578 C ALA A 39 5.842 -0.595 0.779 1.00 0.00 C ATOM 579 O ALA A 39 5.156 -1.093 1.670 1.00 0.00 O ATOM 580 CB ALA A 39 5.556 1.140 -1.058 1.00 0.00 C ATOM 0 H ALA A 39 7.751 1.398 0.411 1.00 0.00 H new ATOM 0 HA ALA A 39 4.820 1.268 0.933 1.00 0.00 H new ATOM 0 HB1 ALA A 39 4.673 0.613 -1.420 1.00 0.00 H new ATOM 0 HB2 ALA A 39 5.441 2.208 -1.241 1.00 0.00 H new ATOM 0 HB3 ALA A 39 6.438 0.775 -1.584 1.00 0.00 H new ATOM 586 N ASP A 40 6.722 -1.261 0.047 1.00 0.00 N ATOM 587 CA ASP A 40 6.946 -2.682 0.256 1.00 0.00 C ATOM 588 C ASP A 40 7.289 -2.929 1.726 1.00 0.00 C ATOM 589 O ASP A 40 8.049 -2.170 2.326 1.00 0.00 O ATOM 590 CB ASP A 40 8.114 -3.187 -0.594 1.00 0.00 C ATOM 591 CG ASP A 40 8.220 -4.709 -0.709 1.00 0.00 C ATOM 592 OD1 ASP A 40 7.263 -5.380 -0.265 1.00 0.00 O ATOM 593 OD2 ASP A 40 9.256 -5.167 -1.238 1.00 0.00 O ATOM 0 H ASP A 40 7.289 -0.844 -0.691 1.00 0.00 H new ATOM 0 HA ASP A 40 6.037 -3.212 -0.029 1.00 0.00 H new ATOM 0 HB2 ASP A 40 8.022 -2.768 -1.596 1.00 0.00 H new ATOM 0 HB3 ASP A 40 9.043 -2.804 -0.172 1.00 0.00 H new ATOM 598 N LEU A 41 6.713 -3.994 2.264 1.00 0.00 N ATOM 599 CA LEU A 41 6.950 -4.351 3.653 1.00 0.00 C ATOM 600 C LEU A 41 7.224 -5.853 3.750 1.00 0.00 C ATOM 601 O LEU A 41 8.165 -6.273 4.422 1.00 0.00 O ATOM 602 CB LEU A 41 5.789 -3.879 4.532 1.00 0.00 C ATOM 603 CG LEU A 41 5.492 -2.379 4.503 1.00 0.00 C ATOM 604 CD1 LEU A 41 3.985 -2.118 4.551 1.00 0.00 C ATOM 605 CD2 LEU A 41 6.236 -1.651 5.623 1.00 0.00 C ATOM 0 H LEU A 41 6.083 -4.621 1.764 1.00 0.00 H new ATOM 0 HA LEU A 41 7.835 -3.841 4.032 1.00 0.00 H new ATOM 0 HB2 LEU A 41 4.889 -4.413 4.228 1.00 0.00 H new ATOM 0 HB3 LEU A 41 5.999 -4.168 5.562 1.00 0.00 H new ATOM 0 HG LEU A 41 5.859 -1.976 3.559 1.00 0.00 H new ATOM 0 HD11 LEU A 41 3.801 -1.044 4.529 1.00 0.00 H new ATOM 0 HD12 LEU A 41 3.507 -2.586 3.690 1.00 0.00 H new ATOM 0 HD13 LEU A 41 3.572 -2.538 5.468 1.00 0.00 H new ATOM 0 HD21 LEU A 41 6.007 -0.586 5.580 1.00 0.00 H new ATOM 0 HD22 LEU A 41 5.923 -2.050 6.588 1.00 0.00 H new ATOM 0 HD23 LEU A 41 7.309 -1.797 5.501 1.00 0.00 H new ATOM 617 N ASN A 42 6.385 -6.620 3.069 1.00 0.00 N ATOM 618 CA ASN A 42 6.527 -8.066 3.070 1.00 0.00 C ATOM 619 C ASN A 42 7.594 -8.472 2.051 1.00 0.00 C ATOM 620 O ASN A 42 7.813 -9.658 1.815 1.00 0.00 O ATOM 621 CB ASN A 42 5.215 -8.748 2.675 1.00 0.00 C ATOM 622 CG ASN A 42 4.775 -8.321 1.274 1.00 0.00 C ATOM 623 OD1 ASN A 42 5.389 -7.486 0.629 1.00 0.00 O ATOM 624 ND2 ASN A 42 3.681 -8.939 0.837 1.00 0.00 N ATOM 0 H ASN A 42 5.605 -6.268 2.513 1.00 0.00 H new ATOM 0 HA ASN A 42 6.808 -8.376 4.077 1.00 0.00 H new ATOM 0 HB2 ASN A 42 5.340 -9.830 2.707 1.00 0.00 H new ATOM 0 HB3 ASN A 42 4.438 -8.495 3.397 1.00 0.00 H new ATOM 0 HD21 ASN A 42 3.309 -8.724 -0.088 1.00 0.00 H new ATOM 0 HD22 ASN A 42 3.215 -9.628 1.427 1.00 0.00 H new ATOM 631 N GLU A 43 8.232 -7.462 1.477 1.00 0.00 N ATOM 632 CA GLU A 43 9.271 -7.698 0.489 1.00 0.00 C ATOM 633 C GLU A 43 8.672 -8.317 -0.775 1.00 0.00 C ATOM 634 O GLU A 43 9.296 -9.165 -1.411 1.00 0.00 O ATOM 635 CB GLU A 43 10.379 -8.584 1.062 1.00 0.00 C ATOM 636 CG GLU A 43 11.132 -7.866 2.184 1.00 0.00 C ATOM 637 CD GLU A 43 12.253 -8.744 2.741 1.00 0.00 C ATOM 638 OE1 GLU A 43 11.937 -9.582 3.613 1.00 0.00 O ATOM 639 OE2 GLU A 43 13.402 -8.558 2.283 1.00 0.00 O ATOM 0 H GLU A 43 8.049 -6.479 1.677 1.00 0.00 H new ATOM 0 HA GLU A 43 9.717 -6.740 0.223 1.00 0.00 H new ATOM 0 HB2 GLU A 43 9.948 -9.510 1.443 1.00 0.00 H new ATOM 0 HB3 GLU A 43 11.076 -8.859 0.270 1.00 0.00 H new ATOM 0 HG2 GLU A 43 11.550 -6.932 1.807 1.00 0.00 H new ATOM 0 HG3 GLU A 43 10.438 -7.605 2.983 1.00 0.00 H new ATOM 646 N ASP A 44 7.468 -7.869 -1.101 1.00 0.00 N ATOM 647 CA ASP A 44 6.778 -8.368 -2.279 1.00 0.00 C ATOM 648 C ASP A 44 6.637 -7.238 -3.300 1.00 0.00 C ATOM 649 O ASP A 44 6.649 -7.480 -4.505 1.00 0.00 O ATOM 650 CB ASP A 44 5.374 -8.863 -1.924 1.00 0.00 C ATOM 651 CG ASP A 44 4.252 -7.849 -2.160 1.00 0.00 C ATOM 652 OD1 ASP A 44 4.072 -7.465 -3.336 1.00 0.00 O ATOM 653 OD2 ASP A 44 3.601 -7.481 -1.158 1.00 0.00 O ATOM 0 H ASP A 44 6.953 -7.166 -0.570 1.00 0.00 H new ATOM 0 HA ASP A 44 7.360 -9.194 -2.687 1.00 0.00 H new ATOM 0 HB2 ASP A 44 5.162 -9.759 -2.508 1.00 0.00 H new ATOM 0 HB3 ASP A 44 5.363 -9.157 -0.874 1.00 0.00 H new ATOM 658 N GLY A 45 6.507 -6.026 -2.779 1.00 0.00 N ATOM 659 CA GLY A 45 6.365 -4.858 -3.631 1.00 0.00 C ATOM 660 C GLY A 45 5.409 -3.838 -3.008 1.00 0.00 C ATOM 661 O GLY A 45 5.829 -2.756 -2.601 1.00 0.00 O ATOM 0 H GLY A 45 6.497 -5.828 -1.778 1.00 0.00 H new ATOM 0 HA2 GLY A 45 7.340 -4.398 -3.789 1.00 0.00 H new ATOM 0 HA3 GLY A 45 5.993 -5.160 -4.610 1.00 0.00 H new ATOM 665 N ARG A 46 4.141 -4.221 -2.953 1.00 0.00 N ATOM 666 CA ARG A 46 3.122 -3.353 -2.387 1.00 0.00 C ATOM 667 C ARG A 46 2.031 -4.187 -1.714 1.00 0.00 C ATOM 668 O ARG A 46 2.001 -4.305 -0.490 1.00 0.00 O ATOM 669 CB ARG A 46 2.488 -2.471 -3.465 1.00 0.00 C ATOM 670 CG ARG A 46 3.364 -1.253 -3.762 1.00 0.00 C ATOM 671 CD ARG A 46 3.727 -1.187 -5.247 1.00 0.00 C ATOM 672 NE ARG A 46 4.413 -2.432 -5.657 1.00 0.00 N ATOM 673 CZ ARG A 46 3.812 -3.450 -6.288 1.00 0.00 C ATOM 674 NH1 ARG A 46 2.508 -3.376 -6.585 1.00 0.00 N ATOM 675 NH2 ARG A 46 4.515 -4.541 -6.620 1.00 0.00 N ATOM 0 H ARG A 46 3.797 -5.120 -3.291 1.00 0.00 H new ATOM 0 HA ARG A 46 3.604 -2.713 -1.648 1.00 0.00 H new ATOM 0 HB2 ARG A 46 2.345 -3.051 -4.377 1.00 0.00 H new ATOM 0 HB3 ARG A 46 1.502 -2.143 -3.138 1.00 0.00 H new ATOM 0 HG2 ARG A 46 2.838 -0.343 -3.472 1.00 0.00 H new ATOM 0 HG3 ARG A 46 4.274 -1.300 -3.163 1.00 0.00 H new ATOM 0 HD2 ARG A 46 2.826 -1.045 -5.844 1.00 0.00 H new ATOM 0 HD3 ARG A 46 4.372 -0.328 -5.434 1.00 0.00 H new ATOM 0 HE ARG A 46 5.407 -2.521 -5.446 1.00 0.00 H new ATOM 0 HH11 ARG A 46 1.973 -2.545 -6.331 1.00 0.00 H new ATOM 0 HH12 ARG A 46 2.050 -4.150 -7.065 1.00 0.00 H new ATOM 0 HH21 ARG A 46 5.508 -4.597 -6.392 1.00 0.00 H new ATOM 0 HH22 ARG A 46 4.058 -5.316 -7.100 1.00 0.00 H new ATOM 689 N VAL A 47 1.159 -4.745 -2.543 1.00 0.00 N ATOM 690 CA VAL A 47 0.069 -5.563 -2.042 1.00 0.00 C ATOM 691 C VAL A 47 -0.133 -6.761 -2.973 1.00 0.00 C ATOM 692 O VAL A 47 -1.076 -6.785 -3.764 1.00 0.00 O ATOM 693 CB VAL A 47 -1.192 -4.714 -1.879 1.00 0.00 C ATOM 694 CG1 VAL A 47 -1.159 -3.931 -0.565 1.00 0.00 C ATOM 695 CG2 VAL A 47 -1.380 -3.775 -3.073 1.00 0.00 C ATOM 0 H VAL A 47 1.186 -4.646 -3.558 1.00 0.00 H new ATOM 0 HA VAL A 47 0.309 -5.955 -1.054 1.00 0.00 H new ATOM 0 HB VAL A 47 -2.048 -5.388 -1.846 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -2.067 -3.335 -0.474 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -1.096 -4.627 0.272 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -0.291 -3.272 -0.556 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -2.284 -3.183 -2.931 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -0.520 -3.110 -3.152 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -1.470 -4.362 -3.987 1.00 0.00 H new ATOM 705 N ASN A 48 0.767 -7.725 -2.850 1.00 0.00 N ATOM 706 CA ASN A 48 0.699 -8.922 -3.671 1.00 0.00 C ATOM 707 C ASN A 48 -0.631 -9.633 -3.419 1.00 0.00 C ATOM 708 O ASN A 48 -1.317 -10.028 -4.362 1.00 0.00 O ATOM 709 CB ASN A 48 1.828 -9.894 -3.322 1.00 0.00 C ATOM 710 CG ASN A 48 2.654 -10.243 -4.562 1.00 0.00 C ATOM 711 OD1 ASN A 48 2.602 -11.345 -5.083 1.00 0.00 O ATOM 712 ND2 ASN A 48 3.416 -9.246 -5.004 1.00 0.00 N ATOM 0 H ASN A 48 1.548 -7.702 -2.194 1.00 0.00 H new ATOM 0 HA ASN A 48 0.792 -8.621 -4.714 1.00 0.00 H new ATOM 0 HB2 ASN A 48 2.473 -9.450 -2.564 1.00 0.00 H new ATOM 0 HB3 ASN A 48 1.409 -10.804 -2.892 1.00 0.00 H new ATOM 0 HD21 ASN A 48 4.004 -9.380 -5.827 1.00 0.00 H new ATOM 0 HD22 ASN A 48 3.412 -8.348 -4.520 1.00 0.00 H new ATOM 719 N SER A 49 -0.958 -9.775 -2.143 1.00 0.00 N ATOM 720 CA SER A 49 -2.195 -10.432 -1.756 1.00 0.00 C ATOM 721 C SER A 49 -2.271 -10.549 -0.232 1.00 0.00 C ATOM 722 O SER A 49 -3.349 -10.445 0.349 1.00 0.00 O ATOM 723 CB SER A 49 -2.310 -11.814 -2.401 1.00 0.00 C ATOM 724 OG SER A 49 -3.620 -12.061 -2.905 1.00 0.00 O ATOM 0 H SER A 49 -0.388 -9.446 -1.364 1.00 0.00 H new ATOM 0 HA SER A 49 -3.029 -9.826 -2.109 1.00 0.00 H new ATOM 0 HB2 SER A 49 -1.588 -11.896 -3.213 1.00 0.00 H new ATOM 0 HB3 SER A 49 -2.054 -12.579 -1.668 1.00 0.00 H new ATOM 0 HG SER A 49 -3.652 -12.953 -3.310 1.00 0.00 H new ATOM 730 N THR A 50 -1.110 -10.765 0.371 1.00 0.00 N ATOM 731 CA THR A 50 -1.031 -10.898 1.815 1.00 0.00 C ATOM 732 C THR A 50 -0.884 -9.523 2.470 1.00 0.00 C ATOM 733 O THR A 50 -1.452 -9.272 3.531 1.00 0.00 O ATOM 734 CB THR A 50 0.120 -11.852 2.140 1.00 0.00 C ATOM 735 OG1 THR A 50 -0.311 -13.106 1.619 1.00 0.00 O ATOM 736 CG2 THR A 50 0.267 -12.103 3.643 1.00 0.00 C ATOM 0 H THR A 50 -0.217 -10.851 -0.115 1.00 0.00 H new ATOM 0 HA THR A 50 -1.948 -11.322 2.224 1.00 0.00 H new ATOM 0 HB THR A 50 1.051 -11.443 1.748 1.00 0.00 H new ATOM 0 HG1 THR A 50 0.378 -13.783 1.785 1.00 0.00 H new ATOM 0 HG21 THR A 50 1.098 -12.786 3.818 1.00 0.00 H new ATOM 0 HG22 THR A 50 0.460 -11.159 4.152 1.00 0.00 H new ATOM 0 HG23 THR A 50 -0.652 -12.543 4.030 1.00 0.00 H new ATOM 744 N ASP A 51 -0.117 -8.667 1.810 1.00 0.00 N ATOM 745 CA ASP A 51 0.112 -7.324 2.314 1.00 0.00 C ATOM 746 C ASP A 51 -1.205 -6.546 2.298 1.00 0.00 C ATOM 747 O ASP A 51 -1.582 -5.936 3.297 1.00 0.00 O ATOM 748 CB ASP A 51 1.117 -6.572 1.440 1.00 0.00 C ATOM 749 CG ASP A 51 2.345 -6.036 2.178 1.00 0.00 C ATOM 750 OD1 ASP A 51 3.120 -6.881 2.677 1.00 0.00 O ATOM 751 OD2 ASP A 51 2.481 -4.795 2.230 1.00 0.00 O ATOM 0 H ASP A 51 0.354 -8.878 0.930 1.00 0.00 H new ATOM 0 HA ASP A 51 0.506 -7.407 3.327 1.00 0.00 H new ATOM 0 HB2 ASP A 51 1.452 -7.237 0.644 1.00 0.00 H new ATOM 0 HB3 ASP A 51 0.606 -5.736 0.962 1.00 0.00 H new ATOM 756 N LEU A 52 -1.868 -6.593 1.152 1.00 0.00 N ATOM 757 CA LEU A 52 -3.135 -5.899 0.992 1.00 0.00 C ATOM 758 C LEU A 52 -4.022 -6.179 2.209 1.00 0.00 C ATOM 759 O LEU A 52 -4.575 -5.256 2.803 1.00 0.00 O ATOM 760 CB LEU A 52 -3.787 -6.272 -0.341 1.00 0.00 C ATOM 761 CG LEU A 52 -5.188 -6.879 -0.257 1.00 0.00 C ATOM 762 CD1 LEU A 52 -6.215 -5.830 0.173 1.00 0.00 C ATOM 763 CD2 LEU A 52 -5.574 -7.551 -1.576 1.00 0.00 C ATOM 0 H LEU A 52 -1.552 -7.101 0.326 1.00 0.00 H new ATOM 0 HA LEU A 52 -2.976 -4.821 0.952 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -3.837 -5.377 -0.961 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -3.137 -6.980 -0.855 1.00 0.00 H new ATOM 0 HG LEU A 52 -5.179 -7.654 0.509 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -7.203 -6.288 0.225 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -5.945 -5.437 1.153 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -6.230 -5.017 -0.552 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -6.575 -7.975 -1.489 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -5.561 -6.813 -2.378 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -4.862 -8.345 -1.802 1.00 0.00 H new ATOM 775 N GLY A 53 -4.129 -7.458 2.541 1.00 0.00 N ATOM 776 CA GLY A 53 -4.938 -7.870 3.675 1.00 0.00 C ATOM 777 C GLY A 53 -4.543 -7.103 4.938 1.00 0.00 C ATOM 778 O GLY A 53 -5.350 -6.950 5.854 1.00 0.00 O ATOM 0 H GLY A 53 -3.669 -8.221 2.045 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -5.992 -7.698 3.456 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -4.817 -8.940 3.843 1.00 0.00 H new ATOM 782 N ILE A 54 -3.301 -6.641 4.948 1.00 0.00 N ATOM 783 CA ILE A 54 -2.789 -5.894 6.084 1.00 0.00 C ATOM 784 C ILE A 54 -3.055 -4.403 5.870 1.00 0.00 C ATOM 785 O ILE A 54 -3.475 -3.704 6.792 1.00 0.00 O ATOM 786 CB ILE A 54 -1.315 -6.228 6.325 1.00 0.00 C ATOM 787 CG1 ILE A 54 -1.116 -6.876 7.697 1.00 0.00 C ATOM 788 CG2 ILE A 54 -0.436 -4.989 6.144 1.00 0.00 C ATOM 789 CD1 ILE A 54 -1.773 -6.041 8.798 1.00 0.00 C ATOM 0 H ILE A 54 -2.634 -6.770 4.187 1.00 0.00 H new ATOM 0 HA ILE A 54 -3.310 -6.183 6.996 1.00 0.00 H new ATOM 0 HB ILE A 54 -1.003 -6.957 5.577 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -1.541 -7.880 7.694 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -0.051 -6.982 7.902 1.00 0.00 H new ATOM 0 HG21 ILE A 54 0.607 -5.254 6.321 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -0.547 -4.610 5.128 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -0.741 -4.220 6.854 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -1.617 -6.524 9.763 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -1.329 -5.046 8.814 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -2.842 -5.958 8.603 1.00 0.00 H new ATOM 801 N LEU A 55 -2.799 -3.958 4.648 1.00 0.00 N ATOM 802 CA LEU A 55 -3.005 -2.563 4.301 1.00 0.00 C ATOM 803 C LEU A 55 -4.495 -2.231 4.404 1.00 0.00 C ATOM 804 O LEU A 55 -4.879 -1.291 5.099 1.00 0.00 O ATOM 805 CB LEU A 55 -2.399 -2.257 2.929 1.00 0.00 C ATOM 806 CG LEU A 55 -0.877 -2.113 2.885 1.00 0.00 C ATOM 807 CD1 LEU A 55 -0.227 -3.361 2.285 1.00 0.00 C ATOM 808 CD2 LEU A 55 -0.468 -0.840 2.142 1.00 0.00 C ATOM 0 H LEU A 55 -2.451 -4.540 3.886 1.00 0.00 H new ATOM 0 HA LEU A 55 -2.484 -1.914 5.005 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -2.689 -3.051 2.241 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -2.842 -1.334 2.556 1.00 0.00 H new ATOM 0 HG LEU A 55 -0.512 -2.019 3.908 1.00 0.00 H new ATOM 0 HD11 LEU A 55 0.855 -3.234 2.265 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -0.479 -4.230 2.893 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -0.594 -3.510 1.269 1.00 0.00 H new ATOM 0 HD21 LEU A 55 0.619 -0.762 2.125 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -0.845 -0.878 1.120 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -0.886 0.029 2.651 1.00 0.00 H new ATOM 820 N LYS A 56 -5.295 -3.021 3.703 1.00 0.00 N ATOM 821 CA LYS A 56 -6.734 -2.823 3.706 1.00 0.00 C ATOM 822 C LYS A 56 -7.265 -3.005 5.129 1.00 0.00 C ATOM 823 O LYS A 56 -8.446 -2.776 5.389 1.00 0.00 O ATOM 824 CB LYS A 56 -7.404 -3.737 2.678 1.00 0.00 C ATOM 825 CG LYS A 56 -7.634 -5.135 3.256 1.00 0.00 C ATOM 826 CD LYS A 56 -8.493 -5.982 2.315 1.00 0.00 C ATOM 827 CE LYS A 56 -9.933 -6.080 2.825 1.00 0.00 C ATOM 828 NZ LYS A 56 -10.301 -7.492 3.069 1.00 0.00 N ATOM 0 H LYS A 56 -4.973 -3.800 3.129 1.00 0.00 H new ATOM 0 HA LYS A 56 -6.979 -1.806 3.400 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -8.356 -3.306 2.369 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -6.781 -3.806 1.786 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -6.675 -5.627 3.421 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -8.122 -5.055 4.227 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -8.486 -5.544 1.317 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -8.066 -6.981 2.227 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -10.039 -5.506 3.746 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -10.614 -5.641 2.096 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -11.281 -7.541 3.415 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -10.219 -8.030 2.183 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -9.662 -7.899 3.781 1.00 0.00 H new ATOM 842 N ARG A 57 -6.369 -3.414 6.014 1.00 0.00 N ATOM 843 CA ARG A 57 -6.733 -3.630 7.404 1.00 0.00 C ATOM 844 C ARG A 57 -6.518 -2.349 8.214 1.00 0.00 C ATOM 845 O ARG A 57 -7.400 -1.927 8.961 1.00 0.00 O ATOM 846 CB ARG A 57 -5.906 -4.760 8.022 1.00 0.00 C ATOM 847 CG ARG A 57 -6.801 -5.929 8.439 1.00 0.00 C ATOM 848 CD ARG A 57 -6.181 -6.706 9.601 1.00 0.00 C ATOM 849 NE ARG A 57 -7.241 -7.377 10.384 1.00 0.00 N ATOM 850 CZ ARG A 57 -7.939 -8.437 9.952 1.00 0.00 C ATOM 851 NH1 ARG A 57 -7.691 -8.952 8.739 1.00 0.00 N ATOM 852 NH2 ARG A 57 -8.884 -8.981 10.731 1.00 0.00 N ATOM 0 H ARG A 57 -5.391 -3.602 5.796 1.00 0.00 H new ATOM 0 HA ARG A 57 -7.786 -3.910 7.431 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -5.162 -5.105 7.304 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -5.363 -4.386 8.890 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -7.783 -5.555 8.730 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -6.953 -6.596 7.591 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -5.476 -7.445 9.220 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -5.617 -6.029 10.242 1.00 0.00 H new ATOM 0 HE ARG A 57 -7.455 -7.010 11.311 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -6.972 -8.537 8.146 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -8.221 -9.758 8.409 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -9.073 -8.589 11.653 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -9.415 -9.787 10.402 1.00 0.00 H new ATOM 866 N TYR A 58 -5.343 -1.765 8.037 1.00 0.00 N ATOM 867 CA TYR A 58 -5.001 -0.541 8.742 1.00 0.00 C ATOM 868 C TYR A 58 -5.409 0.691 7.930 1.00 0.00 C ATOM 869 O TYR A 58 -5.679 1.749 8.496 1.00 0.00 O ATOM 870 CB TYR A 58 -3.479 -0.554 8.896 1.00 0.00 C ATOM 871 CG TYR A 58 -2.732 0.149 7.760 1.00 0.00 C ATOM 872 CD1 TYR A 58 -2.856 1.513 7.592 1.00 0.00 C ATOM 873 CD2 TYR A 58 -1.934 -0.582 6.903 1.00 0.00 C ATOM 874 CE1 TYR A 58 -2.154 2.175 6.524 1.00 0.00 C ATOM 875 CE2 TYR A 58 -1.231 0.080 5.834 1.00 0.00 C ATOM 876 CZ TYR A 58 -1.376 1.425 5.698 1.00 0.00 C ATOM 877 OH TYR A 58 -0.712 2.050 4.688 1.00 0.00 O ATOM 0 H TYR A 58 -4.615 -2.117 7.415 1.00 0.00 H new ATOM 0 HA TYR A 58 -5.518 -0.493 9.701 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -3.216 -0.077 9.840 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -3.139 -1.588 8.955 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -3.481 2.084 8.263 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -1.837 -1.650 7.034 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -2.243 3.242 6.382 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -0.603 -0.479 5.156 1.00 0.00 H new ATOM 0 HH TYR A 58 0.247 1.860 4.760 1.00 0.00 H new ATOM 887 N ILE A 59 -5.441 0.510 6.618 1.00 0.00 N ATOM 888 CA ILE A 59 -5.812 1.594 5.724 1.00 0.00 C ATOM 889 C ILE A 59 -7.333 1.753 5.725 1.00 0.00 C ATOM 890 O ILE A 59 -7.872 2.614 5.031 1.00 0.00 O ATOM 891 CB ILE A 59 -5.219 1.366 4.332 1.00 0.00 C ATOM 892 CG1 ILE A 59 -6.093 0.414 3.512 1.00 0.00 C ATOM 893 CG2 ILE A 59 -3.772 0.877 4.425 1.00 0.00 C ATOM 894 CD1 ILE A 59 -6.696 1.129 2.300 1.00 0.00 C ATOM 0 H ILE A 59 -5.216 -0.370 6.153 1.00 0.00 H new ATOM 0 HA ILE A 59 -5.393 2.537 6.074 1.00 0.00 H new ATOM 0 HB ILE A 59 -5.203 2.322 3.808 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -5.497 -0.436 3.178 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -6.891 0.017 4.139 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -3.375 0.723 3.422 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -3.169 1.622 4.944 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -3.740 -0.063 4.976 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -7.312 0.430 1.735 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -7.311 1.963 2.638 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -5.895 1.504 1.663 1.00 0.00 H new ATOM 906 N LEU A 60 -7.983 0.911 6.514 1.00 0.00 N ATOM 907 CA LEU A 60 -9.433 0.947 6.616 1.00 0.00 C ATOM 908 C LEU A 60 -9.854 2.202 7.384 1.00 0.00 C ATOM 909 O LEU A 60 -10.669 2.985 6.901 1.00 0.00 O ATOM 910 CB LEU A 60 -9.960 -0.353 7.225 1.00 0.00 C ATOM 911 CG LEU A 60 -11.118 -1.022 6.481 1.00 0.00 C ATOM 912 CD1 LEU A 60 -11.102 -2.537 6.691 1.00 0.00 C ATOM 913 CD2 LEU A 60 -12.457 -0.400 6.879 1.00 0.00 C ATOM 0 H LEU A 60 -7.533 0.199 7.089 1.00 0.00 H new ATOM 0 HA LEU A 60 -9.884 1.012 5.626 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -9.135 -1.063 7.286 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -10.281 -0.149 8.247 1.00 0.00 H new ATOM 0 HG LEU A 60 -10.987 -0.845 5.413 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -11.935 -2.988 6.152 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -10.164 -2.946 6.317 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -11.196 -2.758 7.754 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -13.263 -0.893 6.336 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -12.612 -0.525 7.951 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -12.452 0.662 6.634 1.00 0.00 H new ATOM 925 N LYS A 61 -9.279 2.352 8.569 1.00 0.00 N ATOM 926 CA LYS A 61 -9.585 3.498 9.409 1.00 0.00 C ATOM 927 C LYS A 61 -8.723 3.443 10.671 1.00 0.00 C ATOM 928 O LYS A 61 -8.345 4.480 11.214 1.00 0.00 O ATOM 929 CB LYS A 61 -11.087 3.568 9.693 1.00 0.00 C ATOM 930 CG LYS A 61 -11.497 2.531 10.739 1.00 0.00 C ATOM 931 CD LYS A 61 -11.618 1.140 10.115 1.00 0.00 C ATOM 932 CE LYS A 61 -12.734 0.334 10.784 1.00 0.00 C ATOM 933 NZ LYS A 61 -14.060 0.867 10.397 1.00 0.00 N ATOM 0 H LYS A 61 -8.603 1.699 8.967 1.00 0.00 H new ATOM 0 HA LYS A 61 -9.338 4.426 8.893 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -11.348 4.566 10.044 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -11.643 3.399 8.771 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -10.761 2.510 11.543 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -12.449 2.817 11.186 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -11.821 1.233 9.048 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -10.671 0.609 10.215 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -12.658 -0.714 10.494 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -12.621 0.374 11.867 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -14.783 0.131 10.531 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -14.290 1.690 10.990 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -14.040 1.155 9.398 1.00 0.00 H new ATOM 947 N GLU A 62 -8.437 2.224 11.102 1.00 0.00 N ATOM 948 CA GLU A 62 -7.627 2.020 12.292 1.00 0.00 C ATOM 949 C GLU A 62 -6.170 2.397 12.011 1.00 0.00 C ATOM 950 O GLU A 62 -5.302 2.210 12.863 1.00 0.00 O ATOM 951 CB GLU A 62 -7.733 0.577 12.788 1.00 0.00 C ATOM 952 CG GLU A 62 -8.387 0.520 14.170 1.00 0.00 C ATOM 953 CD GLU A 62 -8.017 -0.773 14.899 1.00 0.00 C ATOM 954 OE1 GLU A 62 -8.642 -1.806 14.574 1.00 0.00 O ATOM 955 OE2 GLU A 62 -7.118 -0.700 15.764 1.00 0.00 O ATOM 0 H GLU A 62 -8.752 1.366 10.649 1.00 0.00 H new ATOM 0 HA GLU A 62 -8.006 2.669 13.082 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -8.316 -0.013 12.081 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -6.740 0.130 12.833 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -8.070 1.379 14.762 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -9.470 0.586 14.067 1.00 0.00 H new ATOM 962 N ILE A 63 -5.947 2.921 10.815 1.00 0.00 N ATOM 963 CA ILE A 63 -4.612 3.326 10.412 1.00 0.00 C ATOM 964 C ILE A 63 -3.853 3.853 11.633 1.00 0.00 C ATOM 965 O ILE A 63 -4.373 4.680 12.381 1.00 0.00 O ATOM 966 CB ILE A 63 -4.679 4.321 9.253 1.00 0.00 C ATOM 967 CG1 ILE A 63 -3.302 4.919 8.962 1.00 0.00 C ATOM 968 CG2 ILE A 63 -5.729 5.402 9.519 1.00 0.00 C ATOM 969 CD1 ILE A 63 -3.075 6.197 9.774 1.00 0.00 C ATOM 0 H ILE A 63 -6.669 3.074 10.112 1.00 0.00 H new ATOM 0 HA ILE A 63 -4.053 2.470 10.033 1.00 0.00 H new ATOM 0 HB ILE A 63 -4.990 3.782 8.358 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -2.527 4.190 9.201 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -3.215 5.140 7.898 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -5.757 6.097 8.680 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -6.708 4.937 9.638 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -5.472 5.943 10.430 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -2.088 6.601 9.548 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -3.837 6.933 9.515 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -3.138 5.968 10.838 1.00 0.00 H new ATOM 981 N ASP A 64 -2.638 3.353 11.795 1.00 0.00 N ATOM 982 CA ASP A 64 -1.803 3.763 12.911 1.00 0.00 C ATOM 983 C ASP A 64 -0.730 2.701 13.159 1.00 0.00 C ATOM 984 O ASP A 64 -0.631 2.158 14.258 1.00 0.00 O ATOM 985 CB ASP A 64 -2.627 3.909 14.192 1.00 0.00 C ATOM 986 CG ASP A 64 -3.083 5.335 14.509 1.00 0.00 C ATOM 987 OD1 ASP A 64 -2.231 6.242 14.394 1.00 0.00 O ATOM 988 OD2 ASP A 64 -4.274 5.485 14.859 1.00 0.00 O ATOM 0 H ASP A 64 -2.211 2.667 11.172 1.00 0.00 H new ATOM 0 HA ASP A 64 -1.354 4.724 12.659 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -3.507 3.271 14.114 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -2.037 3.538 15.030 1.00 0.00 H new ATOM 993 N THR A 65 0.047 2.437 12.118 1.00 0.00 N ATOM 994 CA THR A 65 1.109 1.449 12.207 1.00 0.00 C ATOM 995 C THR A 65 0.523 0.036 12.217 1.00 0.00 C ATOM 996 O THR A 65 0.442 -0.600 13.267 1.00 0.00 O ATOM 997 CB THR A 65 1.946 1.768 13.448 1.00 0.00 C ATOM 998 OG1 THR A 65 2.259 3.151 13.310 1.00 0.00 O ATOM 999 CG2 THR A 65 3.310 1.073 13.428 1.00 0.00 C ATOM 0 H THR A 65 -0.038 2.891 11.208 1.00 0.00 H new ATOM 0 HA THR A 65 1.762 1.490 11.336 1.00 0.00 H new ATOM 0 HB THR A 65 1.399 1.469 14.342 1.00 0.00 H new ATOM 0 HG1 THR A 65 2.799 3.442 14.074 1.00 0.00 H new ATOM 0 HG21 THR A 65 3.864 1.332 14.330 1.00 0.00 H new ATOM 0 HG22 THR A 65 3.168 -0.007 13.388 1.00 0.00 H new ATOM 0 HG23 THR A 65 3.871 1.398 12.552 1.00 0.00 H new ATOM 1007 N LEU A 66 0.129 -0.415 11.035 1.00 0.00 N ATOM 1008 CA LEU A 66 -0.447 -1.741 10.893 1.00 0.00 C ATOM 1009 C LEU A 66 0.326 -2.725 11.776 1.00 0.00 C ATOM 1010 O LEU A 66 1.458 -2.452 12.170 1.00 0.00 O ATOM 1011 CB LEU A 66 -0.499 -2.148 9.420 1.00 0.00 C ATOM 1012 CG LEU A 66 0.818 -2.045 8.647 1.00 0.00 C ATOM 1013 CD1 LEU A 66 0.960 -0.673 7.986 1.00 0.00 C ATOM 1014 CD2 LEU A 66 2.009 -2.373 9.550 1.00 0.00 C ATOM 0 H LEU A 66 0.198 0.115 10.166 1.00 0.00 H new ATOM 0 HA LEU A 66 -1.481 -1.746 11.238 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -0.852 -3.177 9.361 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -1.241 -1.527 8.918 1.00 0.00 H new ATOM 0 HG LEU A 66 0.805 -2.786 7.848 1.00 0.00 H new ATOM 0 HD11 LEU A 66 1.904 -0.627 7.443 1.00 0.00 H new ATOM 0 HD12 LEU A 66 0.134 -0.516 7.292 1.00 0.00 H new ATOM 0 HD13 LEU A 66 0.943 0.103 8.751 1.00 0.00 H new ATOM 0 HD21 LEU A 66 2.933 -2.293 8.977 1.00 0.00 H new ATOM 0 HD22 LEU A 66 2.037 -1.672 10.384 1.00 0.00 H new ATOM 0 HD23 LEU A 66 1.907 -3.388 9.933 1.00 0.00 H new