USER MOD reduce.3.24.130724 H: found=0, std=0, add=468, rem=0, adj=23 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 17 TYR OH : rot 119:sc= -0.583 USER MOD Set 1.2: A 19 SER OG : rot 124:sc= 0.381 USER MOD Single : A 1 GLY N :NH3+ -113:sc= 0.0688 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 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 11 TYR OH : rot -86:sc=0.000566 USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot 26:sc= 0.386 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0.00647 USER MOD Single : A 36 THR OG1 : rot 180:sc= -0.15 USER MOD Single : A 37 GLN : amide:sc= -0.62 X(o=-0.62,f=-0.55) USER MOD Single : A 38 LYS NZ :NH3+ -149:sc= 0 (180deg=-0.291) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 74:sc= 1.2 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot -101:sc= 1.1 USER MOD Single : A 57 ASN : amide:sc=-0.00151 X(o=-0.0015,f=0) 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+ 144:sc= -1.47 (180deg=-4.55!) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 32:sc= 0.362 USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 14.422 -11.723 -15.448 1.00 0.00 N ATOM 2 CA GLY A 1 15.351 -10.842 -14.763 1.00 0.00 C ATOM 3 C GLY A 1 14.747 -9.449 -14.572 1.00 0.00 C ATOM 4 O GLY A 1 13.821 -9.067 -15.287 1.00 0.00 O ATOM 0 H1 GLY A 1 14.114 -12.475 -14.799 1.00 0.00 H new ATOM 0 H2 GLY A 1 13.595 -11.177 -15.763 1.00 0.00 H new ATOM 0 H3 GLY A 1 14.891 -12.148 -16.273 1.00 0.00 H new ATOM 0 HA2 GLY A 1 15.611 -11.266 -13.793 1.00 0.00 H new ATOM 0 HA3 GLY A 1 16.275 -10.766 -15.336 1.00 0.00 H new ATOM 8 N SER A 2 15.295 -8.728 -13.605 1.00 0.00 N ATOM 9 CA SER A 2 14.822 -7.386 -13.312 1.00 0.00 C ATOM 10 C SER A 2 16.000 -6.410 -13.287 1.00 0.00 C ATOM 11 O SER A 2 17.031 -6.691 -12.679 1.00 0.00 O ATOM 12 CB SER A 2 14.072 -7.346 -11.979 1.00 0.00 C ATOM 13 OG SER A 2 12.699 -7.700 -12.129 1.00 0.00 O ATOM 0 H SER A 2 16.062 -9.048 -13.014 1.00 0.00 H new ATOM 0 HA SER A 2 14.128 -7.088 -14.098 1.00 0.00 H new ATOM 0 HB2 SER A 2 14.548 -8.028 -11.275 1.00 0.00 H new ATOM 0 HB3 SER A 2 14.144 -6.346 -11.552 1.00 0.00 H new ATOM 0 HG SER A 2 12.255 -7.664 -11.256 1.00 0.00 H new ATOM 19 N SER A 3 15.806 -5.283 -13.956 1.00 0.00 N ATOM 20 CA SER A 3 16.840 -4.263 -14.019 1.00 0.00 C ATOM 21 C SER A 3 16.201 -2.877 -14.129 1.00 0.00 C ATOM 22 O SER A 3 15.454 -2.606 -15.067 1.00 0.00 O ATOM 23 CB SER A 3 17.784 -4.507 -15.198 1.00 0.00 C ATOM 24 OG SER A 3 19.136 -4.660 -14.776 1.00 0.00 O ATOM 0 H SER A 3 14.949 -5.053 -14.459 1.00 0.00 H new ATOM 0 HA SER A 3 17.427 -4.314 -13.102 1.00 0.00 H new ATOM 0 HB2 SER A 3 17.469 -5.401 -15.736 1.00 0.00 H new ATOM 0 HB3 SER A 3 17.714 -3.673 -15.897 1.00 0.00 H new ATOM 0 HG SER A 3 19.707 -4.816 -15.557 1.00 0.00 H new ATOM 30 N GLY A 4 16.519 -2.036 -13.155 1.00 0.00 N ATOM 31 CA GLY A 4 15.985 -0.684 -13.131 1.00 0.00 C ATOM 32 C GLY A 4 16.303 0.006 -11.803 1.00 0.00 C ATOM 33 O GLY A 4 17.085 -0.506 -11.004 1.00 0.00 O ATOM 0 H GLY A 4 17.139 -2.264 -12.378 1.00 0.00 H new ATOM 0 HA2 GLY A 4 16.406 -0.108 -13.955 1.00 0.00 H new ATOM 0 HA3 GLY A 4 14.906 -0.712 -13.281 1.00 0.00 H new ATOM 37 N SER A 5 15.679 1.159 -11.608 1.00 0.00 N ATOM 38 CA SER A 5 15.885 1.925 -10.391 1.00 0.00 C ATOM 39 C SER A 5 14.668 2.811 -10.117 1.00 0.00 C ATOM 40 O SER A 5 14.099 3.392 -11.040 1.00 0.00 O ATOM 41 CB SER A 5 17.152 2.778 -10.485 1.00 0.00 C ATOM 42 OG SER A 5 18.194 2.281 -9.649 1.00 0.00 O ATOM 0 H SER A 5 15.031 1.581 -12.273 1.00 0.00 H new ATOM 0 HA SER A 5 16.010 1.226 -9.564 1.00 0.00 H new ATOM 0 HB2 SER A 5 17.497 2.802 -11.519 1.00 0.00 H new ATOM 0 HB3 SER A 5 16.919 3.805 -10.203 1.00 0.00 H new ATOM 0 HG SER A 5 18.986 2.852 -9.739 1.00 0.00 H new ATOM 48 N SER A 6 14.305 2.886 -8.845 1.00 0.00 N ATOM 49 CA SER A 6 13.166 3.691 -8.439 1.00 0.00 C ATOM 50 C SER A 6 11.898 3.196 -9.139 1.00 0.00 C ATOM 51 O SER A 6 11.687 3.475 -10.318 1.00 0.00 O ATOM 52 CB SER A 6 13.399 5.171 -8.748 1.00 0.00 C ATOM 53 OG SER A 6 13.486 5.957 -7.562 1.00 0.00 O ATOM 0 H SER A 6 14.779 2.403 -8.082 1.00 0.00 H new ATOM 0 HA SER A 6 13.042 3.588 -7.361 1.00 0.00 H new ATOM 0 HB2 SER A 6 14.318 5.281 -9.324 1.00 0.00 H new ATOM 0 HB3 SER A 6 12.586 5.544 -9.371 1.00 0.00 H new ATOM 0 HG SER A 6 13.637 6.895 -7.802 1.00 0.00 H new ATOM 59 N GLY A 7 11.088 2.470 -8.383 1.00 0.00 N ATOM 60 CA GLY A 7 9.848 1.933 -8.916 1.00 0.00 C ATOM 61 C GLY A 7 8.725 2.015 -7.879 1.00 0.00 C ATOM 62 O GLY A 7 8.228 3.100 -7.582 1.00 0.00 O ATOM 0 H GLY A 7 11.266 2.241 -7.405 1.00 0.00 H new ATOM 0 HA2 GLY A 7 9.563 2.486 -9.811 1.00 0.00 H new ATOM 0 HA3 GLY A 7 9.996 0.896 -9.216 1.00 0.00 H new ATOM 66 N GLY A 8 8.358 0.853 -7.358 1.00 0.00 N ATOM 67 CA GLY A 8 7.304 0.780 -6.362 1.00 0.00 C ATOM 68 C GLY A 8 7.643 -0.246 -5.279 1.00 0.00 C ATOM 69 O GLY A 8 8.312 -1.243 -5.550 1.00 0.00 O ATOM 0 H GLY A 8 8.772 -0.045 -7.607 1.00 0.00 H new ATOM 0 HA2 GLY A 8 7.160 1.760 -5.907 1.00 0.00 H new ATOM 0 HA3 GLY A 8 6.363 0.510 -6.842 1.00 0.00 H new ATOM 73 N GLU A 9 7.167 0.033 -4.074 1.00 0.00 N ATOM 74 CA GLU A 9 7.412 -0.853 -2.949 1.00 0.00 C ATOM 75 C GLU A 9 6.121 -1.571 -2.548 1.00 0.00 C ATOM 76 O GLU A 9 5.118 -0.928 -2.245 1.00 0.00 O ATOM 77 CB GLU A 9 8.002 -0.085 -1.765 1.00 0.00 C ATOM 78 CG GLU A 9 9.447 0.332 -2.048 1.00 0.00 C ATOM 79 CD GLU A 9 10.405 -0.845 -1.860 1.00 0.00 C ATOM 80 OE1 GLU A 9 10.657 -1.190 -0.685 1.00 0.00 O ATOM 81 OE2 GLU A 9 10.864 -1.375 -2.895 1.00 0.00 O ATOM 0 H GLU A 9 6.613 0.860 -3.853 1.00 0.00 H new ATOM 0 HA GLU A 9 8.142 -1.603 -3.254 1.00 0.00 H new ATOM 0 HB2 GLU A 9 7.397 0.799 -1.563 1.00 0.00 H new ATOM 0 HB3 GLU A 9 7.968 -0.706 -0.870 1.00 0.00 H new ATOM 0 HG2 GLU A 9 9.527 0.711 -3.067 1.00 0.00 H new ATOM 0 HG3 GLU A 9 9.731 1.147 -1.382 1.00 0.00 H new ATOM 88 N GLU A 10 6.190 -2.894 -2.560 1.00 0.00 N ATOM 89 CA GLU A 10 5.040 -3.706 -2.202 1.00 0.00 C ATOM 90 C GLU A 10 4.770 -3.611 -0.698 1.00 0.00 C ATOM 91 O GLU A 10 5.618 -3.981 0.112 1.00 0.00 O ATOM 92 CB GLU A 10 5.240 -5.161 -2.632 1.00 0.00 C ATOM 93 CG GLU A 10 5.213 -5.291 -4.156 1.00 0.00 C ATOM 94 CD GLU A 10 6.620 -5.158 -4.743 1.00 0.00 C ATOM 95 OE1 GLU A 10 7.533 -5.796 -4.177 1.00 0.00 O ATOM 96 OE2 GLU A 10 6.749 -4.421 -5.744 1.00 0.00 O ATOM 0 H GLU A 10 7.024 -3.424 -2.812 1.00 0.00 H new ATOM 0 HA GLU A 10 4.169 -3.321 -2.733 1.00 0.00 H new ATOM 0 HB2 GLU A 10 6.192 -5.530 -2.249 1.00 0.00 H new ATOM 0 HB3 GLU A 10 4.458 -5.783 -2.196 1.00 0.00 H new ATOM 0 HG2 GLU A 10 4.789 -6.255 -4.435 1.00 0.00 H new ATOM 0 HG3 GLU A 10 4.565 -4.523 -4.579 1.00 0.00 H new ATOM 103 N TYR A 11 3.587 -3.114 -0.372 1.00 0.00 N ATOM 104 CA TYR A 11 3.195 -2.966 1.019 1.00 0.00 C ATOM 105 C TYR A 11 1.850 -3.644 1.286 1.00 0.00 C ATOM 106 O TYR A 11 0.957 -3.614 0.440 1.00 0.00 O ATOM 107 CB TYR A 11 3.050 -1.461 1.259 1.00 0.00 C ATOM 108 CG TYR A 11 4.323 -0.788 1.775 1.00 0.00 C ATOM 109 CD1 TYR A 11 4.602 -0.782 3.126 1.00 0.00 C ATOM 110 CD2 TYR A 11 5.193 -0.186 0.888 1.00 0.00 C ATOM 111 CE1 TYR A 11 5.800 -0.148 3.612 1.00 0.00 C ATOM 112 CE2 TYR A 11 6.392 0.448 1.374 1.00 0.00 C ATOM 113 CZ TYR A 11 6.636 0.436 2.712 1.00 0.00 C ATOM 114 OH TYR A 11 7.768 1.034 3.170 1.00 0.00 O ATOM 0 H TYR A 11 2.886 -2.808 -1.047 1.00 0.00 H new ATOM 0 HA TYR A 11 3.934 -3.425 1.676 1.00 0.00 H new ATOM 0 HB2 TYR A 11 2.750 -0.982 0.327 1.00 0.00 H new ATOM 0 HB3 TYR A 11 2.246 -1.294 1.976 1.00 0.00 H new ATOM 0 HD1 TYR A 11 3.921 -1.253 3.820 1.00 0.00 H new ATOM 0 HD2 TYR A 11 4.975 -0.190 -0.170 1.00 0.00 H new ATOM 0 HE1 TYR A 11 6.030 -0.136 4.667 1.00 0.00 H new ATOM 0 HE2 TYR A 11 7.082 0.922 0.691 1.00 0.00 H new ATOM 0 HH TYR A 11 7.568 1.957 3.431 1.00 0.00 H new ATOM 124 N ILE A 12 1.748 -4.241 2.464 1.00 0.00 N ATOM 125 CA ILE A 12 0.526 -4.926 2.853 1.00 0.00 C ATOM 126 C ILE A 12 -0.316 -3.998 3.731 1.00 0.00 C ATOM 127 O ILE A 12 0.224 -3.194 4.488 1.00 0.00 O ATOM 128 CB ILE A 12 0.851 -6.268 3.511 1.00 0.00 C ATOM 129 CG1 ILE A 12 1.680 -7.151 2.576 1.00 0.00 C ATOM 130 CG2 ILE A 12 -0.424 -6.970 3.983 1.00 0.00 C ATOM 131 CD1 ILE A 12 0.775 -8.003 1.682 1.00 0.00 C ATOM 0 H ILE A 12 2.491 -4.265 3.162 1.00 0.00 H new ATOM 0 HA ILE A 12 -0.074 -5.165 1.975 1.00 0.00 H new ATOM 0 HB ILE A 12 1.459 -6.077 4.395 1.00 0.00 H new ATOM 0 HG12 ILE A 12 2.325 -6.527 1.957 1.00 0.00 H new ATOM 0 HG13 ILE A 12 2.331 -7.799 3.163 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -0.165 -7.922 4.447 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -0.939 -6.340 4.709 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -1.078 -7.149 3.130 1.00 0.00 H new ATOM 0 HD11 ILE A 12 1.389 -8.621 1.027 1.00 0.00 H new ATOM 0 HD12 ILE A 12 0.148 -8.643 2.303 1.00 0.00 H new ATOM 0 HD13 ILE A 12 0.143 -7.352 1.078 1.00 0.00 H new ATOM 143 N ALA A 13 -1.627 -4.142 3.600 1.00 0.00 N ATOM 144 CA ALA A 13 -2.550 -3.327 4.372 1.00 0.00 C ATOM 145 C ALA A 13 -2.809 -3.998 5.722 1.00 0.00 C ATOM 146 O ALA A 13 -3.574 -4.957 5.807 1.00 0.00 O ATOM 147 CB ALA A 13 -3.836 -3.114 3.571 1.00 0.00 C ATOM 0 H ALA A 13 -2.072 -4.811 2.971 1.00 0.00 H new ATOM 0 HA ALA A 13 -2.122 -2.344 4.569 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -4.528 -2.503 4.150 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -3.602 -2.608 2.634 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -4.296 -4.079 3.357 1.00 0.00 H new ATOM 153 N LEU A 14 -2.156 -3.466 6.746 1.00 0.00 N ATOM 154 CA LEU A 14 -2.306 -4.002 8.088 1.00 0.00 C ATOM 155 C LEU A 14 -3.781 -3.953 8.490 1.00 0.00 C ATOM 156 O LEU A 14 -4.377 -4.982 8.803 1.00 0.00 O ATOM 157 CB LEU A 14 -1.378 -3.272 9.062 1.00 0.00 C ATOM 158 CG LEU A 14 0.122 -3.470 8.836 1.00 0.00 C ATOM 159 CD1 LEU A 14 0.932 -2.390 9.556 1.00 0.00 C ATOM 160 CD2 LEU A 14 0.556 -4.880 9.243 1.00 0.00 C ATOM 0 H LEU A 14 -1.522 -2.670 6.673 1.00 0.00 H new ATOM 0 HA LEU A 14 -2.002 -5.048 8.117 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -1.595 -2.205 9.009 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -1.619 -3.597 10.074 1.00 0.00 H new ATOM 0 HG LEU A 14 0.324 -3.366 7.770 1.00 0.00 H new ATOM 0 HD11 LEU A 14 1.995 -2.554 9.379 1.00 0.00 H new ATOM 0 HD12 LEU A 14 0.648 -1.409 9.176 1.00 0.00 H new ATOM 0 HD13 LEU A 14 0.731 -2.437 10.626 1.00 0.00 H new ATOM 0 HD21 LEU A 14 1.626 -4.995 9.072 1.00 0.00 H new ATOM 0 HD22 LEU A 14 0.338 -5.037 10.299 1.00 0.00 H new ATOM 0 HD23 LEU A 14 0.013 -5.614 8.647 1.00 0.00 H new ATOM 172 N TYR A 15 -4.328 -2.746 8.469 1.00 0.00 N ATOM 173 CA TYR A 15 -5.722 -2.550 8.827 1.00 0.00 C ATOM 174 C TYR A 15 -6.509 -1.951 7.660 1.00 0.00 C ATOM 175 O TYR A 15 -5.931 -1.321 6.775 1.00 0.00 O ATOM 176 CB TYR A 15 -5.723 -1.556 9.990 1.00 0.00 C ATOM 177 CG TYR A 15 -4.601 -1.785 11.005 1.00 0.00 C ATOM 178 CD1 TYR A 15 -4.790 -2.657 12.058 1.00 0.00 C ATOM 179 CD2 TYR A 15 -3.399 -1.120 10.867 1.00 0.00 C ATOM 180 CE1 TYR A 15 -3.735 -2.872 13.013 1.00 0.00 C ATOM 181 CE2 TYR A 15 -2.343 -1.336 11.823 1.00 0.00 C ATOM 182 CZ TYR A 15 -2.563 -2.201 12.848 1.00 0.00 C ATOM 183 OH TYR A 15 -1.566 -2.405 13.750 1.00 0.00 O ATOM 0 H TYR A 15 -3.830 -1.894 8.210 1.00 0.00 H new ATOM 0 HA TYR A 15 -6.188 -3.500 9.088 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -5.637 -0.545 9.591 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -6.682 -1.615 10.504 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -5.730 -3.178 12.165 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -3.250 -0.438 10.043 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -3.871 -3.551 13.842 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -1.398 -0.822 11.727 1.00 0.00 H new ATOM 0 HH TYR A 15 -0.788 -1.861 13.506 1.00 0.00 H new ATOM 193 N PRO A 16 -7.850 -2.173 7.696 1.00 0.00 N ATOM 194 CA PRO A 16 -8.722 -1.663 6.652 1.00 0.00 C ATOM 195 C PRO A 16 -8.934 -0.155 6.803 1.00 0.00 C ATOM 196 O PRO A 16 -9.469 0.302 7.812 1.00 0.00 O ATOM 197 CB PRO A 16 -10.009 -2.460 6.790 1.00 0.00 C ATOM 198 CG PRO A 16 -9.983 -3.056 8.188 1.00 0.00 C ATOM 199 CD PRO A 16 -8.569 -2.914 8.728 1.00 0.00 C ATOM 0 HA PRO A 16 -8.299 -1.784 5.655 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -10.881 -1.820 6.655 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -10.067 -3.242 6.033 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -10.693 -2.541 8.836 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -10.278 -4.105 8.162 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -8.560 -2.380 9.678 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -8.113 -3.888 8.906 1.00 0.00 H new ATOM 207 N TYR A 17 -8.502 0.575 5.785 1.00 0.00 N ATOM 208 CA TYR A 17 -8.638 2.022 5.792 1.00 0.00 C ATOM 209 C TYR A 17 -9.791 2.469 4.892 1.00 0.00 C ATOM 210 O TYR A 17 -9.808 2.163 3.700 1.00 0.00 O ATOM 211 CB TYR A 17 -7.325 2.571 5.229 1.00 0.00 C ATOM 212 CG TYR A 17 -7.411 4.022 4.752 1.00 0.00 C ATOM 213 CD1 TYR A 17 -7.212 5.055 5.646 1.00 0.00 C ATOM 214 CD2 TYR A 17 -7.688 4.298 3.429 1.00 0.00 C ATOM 215 CE1 TYR A 17 -7.293 6.421 5.197 1.00 0.00 C ATOM 216 CE2 TYR A 17 -7.768 5.664 2.980 1.00 0.00 C ATOM 217 CZ TYR A 17 -7.567 6.658 3.886 1.00 0.00 C ATOM 218 OH TYR A 17 -7.643 7.948 3.462 1.00 0.00 O ATOM 0 H TYR A 17 -8.058 0.192 4.950 1.00 0.00 H new ATOM 0 HA TYR A 17 -8.845 2.383 6.799 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -6.554 2.496 5.995 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -7.008 1.944 4.396 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -6.996 4.839 6.682 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -7.845 3.490 2.730 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -7.140 7.239 5.886 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -7.983 5.894 1.947 1.00 0.00 H new ATOM 0 HH TYR A 17 -6.955 8.110 2.783 1.00 0.00 H new ATOM 228 N SER A 18 -10.728 3.186 5.496 1.00 0.00 N ATOM 229 CA SER A 18 -11.882 3.678 4.763 1.00 0.00 C ATOM 230 C SER A 18 -11.972 5.200 4.889 1.00 0.00 C ATOM 231 O SER A 18 -12.155 5.726 5.986 1.00 0.00 O ATOM 232 CB SER A 18 -13.172 3.027 5.266 1.00 0.00 C ATOM 233 OG SER A 18 -13.177 2.877 6.683 1.00 0.00 O ATOM 0 H SER A 18 -10.711 3.438 6.484 1.00 0.00 H new ATOM 0 HA SER A 18 -11.758 3.413 3.713 1.00 0.00 H new ATOM 0 HB2 SER A 18 -14.026 3.633 4.963 1.00 0.00 H new ATOM 0 HB3 SER A 18 -13.292 2.050 4.798 1.00 0.00 H new ATOM 0 HG SER A 18 -14.018 2.459 6.965 1.00 0.00 H new ATOM 239 N SER A 19 -11.839 5.865 3.751 1.00 0.00 N ATOM 240 CA SER A 19 -11.902 7.316 3.720 1.00 0.00 C ATOM 241 C SER A 19 -13.260 7.769 3.179 1.00 0.00 C ATOM 242 O SER A 19 -14.096 6.942 2.820 1.00 0.00 O ATOM 243 CB SER A 19 -10.771 7.899 2.871 1.00 0.00 C ATOM 244 OG SER A 19 -10.315 9.151 3.376 1.00 0.00 O ATOM 0 H SER A 19 -11.688 5.425 2.843 1.00 0.00 H new ATOM 0 HA SER A 19 -11.782 7.685 4.738 1.00 0.00 H new ATOM 0 HB2 SER A 19 -9.939 7.195 2.842 1.00 0.00 H new ATOM 0 HB3 SER A 19 -11.116 8.026 1.845 1.00 0.00 H new ATOM 0 HG SER A 19 -9.350 9.106 3.540 1.00 0.00 H new ATOM 250 N VAL A 20 -13.436 9.081 3.137 1.00 0.00 N ATOM 251 CA VAL A 20 -14.678 9.654 2.645 1.00 0.00 C ATOM 252 C VAL A 20 -14.417 10.358 1.312 1.00 0.00 C ATOM 253 O VAL A 20 -15.350 10.633 0.558 1.00 0.00 O ATOM 254 CB VAL A 20 -15.282 10.581 3.703 1.00 0.00 C ATOM 255 CG1 VAL A 20 -15.374 9.878 5.058 1.00 0.00 C ATOM 256 CG2 VAL A 20 -14.483 11.881 3.812 1.00 0.00 C ATOM 0 H VAL A 20 -12.740 9.764 3.435 1.00 0.00 H new ATOM 0 HA VAL A 20 -15.413 8.871 2.460 1.00 0.00 H new ATOM 0 HB VAL A 20 -16.294 10.836 3.389 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -15.806 10.558 5.792 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -16.005 8.994 4.967 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -14.377 9.581 5.382 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -14.933 12.522 4.570 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -13.455 11.654 4.093 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -14.492 12.395 2.851 1.00 0.00 H new ATOM 266 N GLU A 21 -13.145 10.631 1.062 1.00 0.00 N ATOM 267 CA GLU A 21 -12.750 11.298 -0.167 1.00 0.00 C ATOM 268 C GLU A 21 -12.398 10.267 -1.241 1.00 0.00 C ATOM 269 O GLU A 21 -11.751 9.261 -0.953 1.00 0.00 O ATOM 270 CB GLU A 21 -11.580 12.253 0.080 1.00 0.00 C ATOM 271 CG GLU A 21 -12.007 13.424 0.967 1.00 0.00 C ATOM 272 CD GLU A 21 -12.934 14.377 0.210 1.00 0.00 C ATOM 273 OE1 GLU A 21 -12.598 14.692 -0.952 1.00 0.00 O ATOM 274 OE2 GLU A 21 -13.957 14.770 0.811 1.00 0.00 O ATOM 0 H GLU A 21 -12.374 10.402 1.690 1.00 0.00 H new ATOM 0 HA GLU A 21 -13.592 11.891 -0.523 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -10.759 11.714 0.553 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -11.207 12.630 -0.872 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -12.515 13.046 1.855 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -11.125 13.965 1.310 1.00 0.00 H new ATOM 281 N PRO A 22 -12.852 10.559 -2.489 1.00 0.00 N ATOM 282 CA PRO A 22 -12.592 9.669 -3.608 1.00 0.00 C ATOM 283 C PRO A 22 -11.138 9.782 -4.072 1.00 0.00 C ATOM 284 O PRO A 22 -10.731 9.110 -5.019 1.00 0.00 O ATOM 285 CB PRO A 22 -13.591 10.080 -4.678 1.00 0.00 C ATOM 286 CG PRO A 22 -14.056 11.477 -4.300 1.00 0.00 C ATOM 287 CD PRO A 22 -13.621 11.741 -2.867 1.00 0.00 C ATOM 0 HA PRO A 22 -12.717 8.618 -3.348 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -13.129 10.076 -5.665 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -14.431 9.386 -4.716 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -13.624 12.218 -4.973 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -15.139 11.557 -4.391 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -13.017 12.646 -2.797 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -14.481 11.880 -2.212 1.00 0.00 H new ATOM 295 N GLY A 23 -10.396 10.638 -3.385 1.00 0.00 N ATOM 296 CA GLY A 23 -8.997 10.847 -3.715 1.00 0.00 C ATOM 297 C GLY A 23 -8.085 10.095 -2.743 1.00 0.00 C ATOM 298 O GLY A 23 -6.881 10.341 -2.700 1.00 0.00 O ATOM 0 H GLY A 23 -10.737 11.195 -2.601 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -8.806 10.509 -4.734 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -8.768 11.912 -3.684 1.00 0.00 H new ATOM 302 N ASP A 24 -8.695 9.195 -1.986 1.00 0.00 N ATOM 303 CA ASP A 24 -7.954 8.406 -1.017 1.00 0.00 C ATOM 304 C ASP A 24 -8.130 6.920 -1.335 1.00 0.00 C ATOM 305 O ASP A 24 -9.242 6.397 -1.279 1.00 0.00 O ATOM 306 CB ASP A 24 -8.470 8.650 0.403 1.00 0.00 C ATOM 307 CG ASP A 24 -8.053 9.986 1.021 1.00 0.00 C ATOM 308 OD1 ASP A 24 -8.324 11.021 0.375 1.00 0.00 O ATOM 309 OD2 ASP A 24 -7.472 9.942 2.127 1.00 0.00 O ATOM 0 H ASP A 24 -9.694 8.995 -2.024 1.00 0.00 H new ATOM 0 HA ASP A 24 -6.906 8.699 -1.075 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -9.559 8.596 0.392 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -8.117 7.843 1.046 1.00 0.00 H new ATOM 314 N LEU A 25 -7.015 6.281 -1.660 1.00 0.00 N ATOM 315 CA LEU A 25 -7.032 4.865 -1.987 1.00 0.00 C ATOM 316 C LEU A 25 -7.711 4.093 -0.853 1.00 0.00 C ATOM 317 O LEU A 25 -7.128 3.913 0.215 1.00 0.00 O ATOM 318 CB LEU A 25 -5.620 4.373 -2.307 1.00 0.00 C ATOM 319 CG LEU A 25 -5.529 3.080 -3.120 1.00 0.00 C ATOM 320 CD1 LEU A 25 -5.853 3.334 -4.594 1.00 0.00 C ATOM 321 CD2 LEU A 25 -4.163 2.414 -2.941 1.00 0.00 C ATOM 0 H LEU A 25 -6.094 6.718 -1.704 1.00 0.00 H new ATOM 0 HA LEU A 25 -7.618 4.688 -2.889 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -5.097 5.159 -2.852 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -5.086 4.227 -1.368 1.00 0.00 H new ATOM 0 HG LEU A 25 -6.279 2.386 -2.740 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -5.781 2.399 -5.149 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -6.865 3.730 -4.681 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -5.145 4.054 -5.003 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -4.125 1.497 -3.529 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -3.380 3.094 -3.277 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -4.009 2.176 -1.888 1.00 0.00 H new ATOM 333 N THR A 26 -8.932 3.658 -1.125 1.00 0.00 N ATOM 334 CA THR A 26 -9.696 2.909 -0.142 1.00 0.00 C ATOM 335 C THR A 26 -9.445 1.409 -0.301 1.00 0.00 C ATOM 336 O THR A 26 -9.656 0.851 -1.377 1.00 0.00 O ATOM 337 CB THR A 26 -11.168 3.298 -0.290 1.00 0.00 C ATOM 338 OG1 THR A 26 -11.459 3.040 -1.661 1.00 0.00 O ATOM 339 CG2 THR A 26 -11.394 4.804 -0.138 1.00 0.00 C ATOM 0 H THR A 26 -9.412 3.810 -2.012 1.00 0.00 H new ATOM 0 HA THR A 26 -9.381 3.153 0.873 1.00 0.00 H new ATOM 0 HB THR A 26 -11.761 2.765 0.454 1.00 0.00 H new ATOM 0 HG1 THR A 26 -10.852 2.350 -2.000 1.00 0.00 H new ATOM 0 HG21 THR A 26 -12.455 5.026 -0.252 1.00 0.00 H new ATOM 0 HG22 THR A 26 -11.060 5.124 0.849 1.00 0.00 H new ATOM 0 HG23 THR A 26 -10.828 5.336 -0.903 1.00 0.00 H new ATOM 347 N PHE A 27 -8.998 0.797 0.786 1.00 0.00 N ATOM 348 CA PHE A 27 -8.716 -0.629 0.780 1.00 0.00 C ATOM 349 C PHE A 27 -9.022 -1.254 2.143 1.00 0.00 C ATOM 350 O PHE A 27 -9.422 -0.556 3.074 1.00 0.00 O ATOM 351 CB PHE A 27 -7.224 -0.788 0.482 1.00 0.00 C ATOM 352 CG PHE A 27 -6.310 -0.081 1.485 1.00 0.00 C ATOM 353 CD1 PHE A 27 -6.057 -0.651 2.693 1.00 0.00 C ATOM 354 CD2 PHE A 27 -5.751 1.118 1.168 1.00 0.00 C ATOM 355 CE1 PHE A 27 -5.209 0.005 3.624 1.00 0.00 C ATOM 356 CE2 PHE A 27 -4.903 1.774 2.099 1.00 0.00 C ATOM 357 CZ PHE A 27 -4.650 1.203 3.307 1.00 0.00 C ATOM 0 H PHE A 27 -8.824 1.262 1.677 1.00 0.00 H new ATOM 0 HA PHE A 27 -9.335 -1.128 0.035 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -6.978 -1.850 0.468 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -7.020 -0.400 -0.516 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -6.501 -1.603 2.945 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -5.952 1.571 0.208 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -5.008 -0.448 4.584 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -4.459 2.726 1.848 1.00 0.00 H new ATOM 0 HZ PHE A 27 -4.005 1.702 4.015 1.00 0.00 H new ATOM 367 N THR A 28 -8.821 -2.561 2.217 1.00 0.00 N ATOM 368 CA THR A 28 -9.071 -3.288 3.450 1.00 0.00 C ATOM 369 C THR A 28 -7.807 -4.024 3.899 1.00 0.00 C ATOM 370 O THR A 28 -6.807 -4.043 3.183 1.00 0.00 O ATOM 371 CB THR A 28 -10.265 -4.216 3.219 1.00 0.00 C ATOM 372 OG1 THR A 28 -10.040 -4.753 1.918 1.00 0.00 O ATOM 373 CG2 THR A 28 -11.583 -3.451 3.084 1.00 0.00 C ATOM 0 H THR A 28 -8.488 -3.136 1.443 1.00 0.00 H new ATOM 0 HA THR A 28 -9.322 -2.610 4.265 1.00 0.00 H new ATOM 0 HB THR A 28 -10.340 -4.924 4.044 1.00 0.00 H new ATOM 0 HG1 THR A 28 -10.767 -5.368 1.688 1.00 0.00 H new ATOM 0 HG21 THR A 28 -12.398 -4.156 2.921 1.00 0.00 H new ATOM 0 HG22 THR A 28 -11.770 -2.884 3.996 1.00 0.00 H new ATOM 0 HG23 THR A 28 -11.521 -2.767 2.238 1.00 0.00 H new ATOM 381 N GLU A 29 -7.893 -4.612 5.084 1.00 0.00 N ATOM 382 CA GLU A 29 -6.769 -5.348 5.638 1.00 0.00 C ATOM 383 C GLU A 29 -6.485 -6.594 4.797 1.00 0.00 C ATOM 384 O GLU A 29 -7.397 -7.358 4.485 1.00 0.00 O ATOM 385 CB GLU A 29 -7.023 -5.718 7.100 1.00 0.00 C ATOM 386 CG GLU A 29 -6.144 -6.894 7.529 1.00 0.00 C ATOM 387 CD GLU A 29 -6.946 -8.197 7.560 1.00 0.00 C ATOM 388 OE1 GLU A 29 -7.234 -8.712 6.459 1.00 0.00 O ATOM 389 OE2 GLU A 29 -7.254 -8.647 8.685 1.00 0.00 O ATOM 0 H GLU A 29 -8.724 -4.593 5.676 1.00 0.00 H new ATOM 0 HA GLU A 29 -5.889 -4.706 5.609 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -6.821 -4.857 7.737 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -8.073 -5.976 7.236 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -5.305 -6.996 6.840 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -5.724 -6.698 8.516 1.00 0.00 H new ATOM 396 N GLY A 30 -5.216 -6.762 4.456 1.00 0.00 N ATOM 397 CA GLY A 30 -4.800 -7.903 3.658 1.00 0.00 C ATOM 398 C GLY A 30 -4.500 -7.485 2.217 1.00 0.00 C ATOM 399 O GLY A 30 -3.607 -8.040 1.579 1.00 0.00 O ATOM 0 H GLY A 30 -4.462 -6.127 4.718 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -3.913 -8.357 4.101 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -5.583 -8.661 3.665 1.00 0.00 H new ATOM 403 N GLU A 31 -5.263 -6.509 1.747 1.00 0.00 N ATOM 404 CA GLU A 31 -5.090 -6.010 0.394 1.00 0.00 C ATOM 405 C GLU A 31 -3.630 -5.620 0.154 1.00 0.00 C ATOM 406 O GLU A 31 -2.947 -5.163 1.070 1.00 0.00 O ATOM 407 CB GLU A 31 -6.024 -4.829 0.121 1.00 0.00 C ATOM 408 CG GLU A 31 -7.389 -5.313 -0.374 1.00 0.00 C ATOM 409 CD GLU A 31 -7.368 -5.559 -1.884 1.00 0.00 C ATOM 410 OE1 GLU A 31 -6.668 -6.510 -2.295 1.00 0.00 O ATOM 411 OE2 GLU A 31 -8.053 -4.791 -2.594 1.00 0.00 O ATOM 0 H GLU A 31 -6.002 -6.051 2.279 1.00 0.00 H new ATOM 0 HA GLU A 31 -5.352 -6.807 -0.302 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -6.150 -4.242 1.031 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -5.576 -4.171 -0.623 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -7.663 -6.232 0.144 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -8.151 -4.572 -0.133 1.00 0.00 H new ATOM 418 N GLU A 32 -3.194 -5.814 -1.082 1.00 0.00 N ATOM 419 CA GLU A 32 -1.827 -5.489 -1.453 1.00 0.00 C ATOM 420 C GLU A 32 -1.767 -4.099 -2.091 1.00 0.00 C ATOM 421 O GLU A 32 -2.323 -3.882 -3.167 1.00 0.00 O ATOM 422 CB GLU A 32 -1.246 -6.549 -2.391 1.00 0.00 C ATOM 423 CG GLU A 32 -0.213 -7.415 -1.667 1.00 0.00 C ATOM 424 CD GLU A 32 0.223 -8.593 -2.540 1.00 0.00 C ATOM 425 OE1 GLU A 32 0.234 -8.409 -3.777 1.00 0.00 O ATOM 426 OE2 GLU A 32 0.537 -9.650 -1.952 1.00 0.00 O ATOM 0 H GLU A 32 -3.763 -6.192 -1.839 1.00 0.00 H new ATOM 0 HA GLU A 32 -1.218 -5.479 -0.549 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -2.048 -7.179 -2.775 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -0.782 -6.064 -3.250 1.00 0.00 H new ATOM 0 HG2 GLU A 32 0.655 -6.810 -1.406 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -0.635 -7.786 -0.733 1.00 0.00 H new ATOM 433 N ILE A 33 -1.087 -3.195 -1.401 1.00 0.00 N ATOM 434 CA ILE A 33 -0.947 -1.833 -1.887 1.00 0.00 C ATOM 435 C ILE A 33 0.460 -1.641 -2.457 1.00 0.00 C ATOM 436 O ILE A 33 1.450 -1.880 -1.767 1.00 0.00 O ATOM 437 CB ILE A 33 -1.308 -0.832 -0.788 1.00 0.00 C ATOM 438 CG1 ILE A 33 -2.759 -1.010 -0.338 1.00 0.00 C ATOM 439 CG2 ILE A 33 -1.018 0.602 -1.236 1.00 0.00 C ATOM 440 CD1 ILE A 33 -2.858 -1.062 1.188 1.00 0.00 C ATOM 0 H ILE A 33 -0.627 -3.379 -0.509 1.00 0.00 H new ATOM 0 HA ILE A 33 -1.648 -1.645 -2.700 1.00 0.00 H new ATOM 0 HB ILE A 33 -0.677 -1.033 0.077 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -3.365 -0.187 -0.717 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -3.165 -1.927 -0.764 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -1.283 1.294 -0.437 1.00 0.00 H new ATOM 0 HG22 ILE A 33 0.042 0.704 -1.467 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -1.606 0.832 -2.125 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -3.900 -1.189 1.481 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -2.271 -1.901 1.562 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -2.473 -0.133 1.609 1.00 0.00 H new ATOM 452 N LEU A 34 0.504 -1.212 -3.709 1.00 0.00 N ATOM 453 CA LEU A 34 1.773 -0.986 -4.379 1.00 0.00 C ATOM 454 C LEU A 34 2.123 0.502 -4.308 1.00 0.00 C ATOM 455 O LEU A 34 1.572 1.309 -5.055 1.00 0.00 O ATOM 456 CB LEU A 34 1.734 -1.542 -5.804 1.00 0.00 C ATOM 457 CG LEU A 34 3.042 -1.455 -6.594 1.00 0.00 C ATOM 458 CD1 LEU A 34 4.166 -2.204 -5.876 1.00 0.00 C ATOM 459 CD2 LEU A 34 2.849 -1.949 -8.029 1.00 0.00 C ATOM 0 H LEU A 34 -0.319 -1.015 -4.278 1.00 0.00 H new ATOM 0 HA LEU A 34 2.573 -1.527 -3.873 1.00 0.00 H new ATOM 0 HB2 LEU A 34 1.430 -2.588 -5.757 1.00 0.00 H new ATOM 0 HB3 LEU A 34 0.961 -1.010 -6.359 1.00 0.00 H new ATOM 0 HG LEU A 34 3.338 -0.408 -6.651 1.00 0.00 H new ATOM 0 HD11 LEU A 34 5.084 -2.127 -6.458 1.00 0.00 H new ATOM 0 HD12 LEU A 34 4.323 -1.766 -4.890 1.00 0.00 H new ATOM 0 HD13 LEU A 34 3.892 -3.254 -5.767 1.00 0.00 H new ATOM 0 HD21 LEU A 34 3.793 -1.877 -8.569 1.00 0.00 H new ATOM 0 HD22 LEU A 34 2.518 -2.987 -8.015 1.00 0.00 H new ATOM 0 HD23 LEU A 34 2.098 -1.335 -8.527 1.00 0.00 H new ATOM 471 N VAL A 35 3.039 0.820 -3.404 1.00 0.00 N ATOM 472 CA VAL A 35 3.469 2.196 -3.227 1.00 0.00 C ATOM 473 C VAL A 35 4.486 2.552 -4.313 1.00 0.00 C ATOM 474 O VAL A 35 5.309 1.720 -4.694 1.00 0.00 O ATOM 475 CB VAL A 35 4.012 2.396 -1.811 1.00 0.00 C ATOM 476 CG1 VAL A 35 4.571 3.809 -1.632 1.00 0.00 C ATOM 477 CG2 VAL A 35 2.937 2.095 -0.764 1.00 0.00 C ATOM 0 H VAL A 35 3.495 0.148 -2.787 1.00 0.00 H new ATOM 0 HA VAL A 35 2.625 2.877 -3.337 1.00 0.00 H new ATOM 0 HB VAL A 35 4.830 1.691 -1.664 1.00 0.00 H new ATOM 0 HG11 VAL A 35 4.950 3.924 -0.617 1.00 0.00 H new ATOM 0 HG12 VAL A 35 5.381 3.973 -2.343 1.00 0.00 H new ATOM 0 HG13 VAL A 35 3.780 4.538 -1.809 1.00 0.00 H new ATOM 0 HG21 VAL A 35 3.349 2.245 0.234 1.00 0.00 H new ATOM 0 HG22 VAL A 35 2.089 2.764 -0.911 1.00 0.00 H new ATOM 0 HG23 VAL A 35 2.606 1.062 -0.869 1.00 0.00 H new ATOM 487 N THR A 36 4.397 3.788 -4.781 1.00 0.00 N ATOM 488 CA THR A 36 5.299 4.264 -5.815 1.00 0.00 C ATOM 489 C THR A 36 5.858 5.639 -5.445 1.00 0.00 C ATOM 490 O THR A 36 7.053 5.889 -5.593 1.00 0.00 O ATOM 491 CB THR A 36 4.542 4.253 -7.145 1.00 0.00 C ATOM 492 OG1 THR A 36 3.491 5.196 -6.953 1.00 0.00 O ATOM 493 CG2 THR A 36 3.816 2.930 -7.394 1.00 0.00 C ATOM 0 H THR A 36 3.713 4.475 -4.463 1.00 0.00 H new ATOM 0 HA THR A 36 6.167 3.612 -5.913 1.00 0.00 H new ATOM 0 HB THR A 36 5.239 4.443 -7.961 1.00 0.00 H new ATOM 0 HG1 THR A 36 2.950 5.254 -7.768 1.00 0.00 H new ATOM 0 HG21 THR A 36 3.295 2.975 -8.350 1.00 0.00 H new ATOM 0 HG22 THR A 36 4.540 2.116 -7.413 1.00 0.00 H new ATOM 0 HG23 THR A 36 3.095 2.755 -6.596 1.00 0.00 H new ATOM 501 N GLN A 37 4.965 6.496 -4.970 1.00 0.00 N ATOM 502 CA GLN A 37 5.354 7.840 -4.577 1.00 0.00 C ATOM 503 C GLN A 37 5.127 8.041 -3.077 1.00 0.00 C ATOM 504 O GLN A 37 4.049 7.748 -2.564 1.00 0.00 O ATOM 505 CB GLN A 37 4.596 8.890 -5.392 1.00 0.00 C ATOM 506 CG GLN A 37 5.562 9.880 -6.044 1.00 0.00 C ATOM 507 CD GLN A 37 6.625 10.347 -5.048 1.00 0.00 C ATOM 508 OE1 GLN A 37 6.349 11.050 -4.090 1.00 0.00 O ATOM 509 NE2 GLN A 37 7.853 9.917 -5.326 1.00 0.00 N ATOM 0 H GLN A 37 3.974 6.286 -4.849 1.00 0.00 H new ATOM 0 HA GLN A 37 6.417 7.965 -4.784 1.00 0.00 H new ATOM 0 HB2 GLN A 37 4.000 8.398 -6.161 1.00 0.00 H new ATOM 0 HB3 GLN A 37 3.902 9.426 -4.745 1.00 0.00 H new ATOM 0 HG2 GLN A 37 6.044 9.412 -6.902 1.00 0.00 H new ATOM 0 HG3 GLN A 37 5.008 10.740 -6.420 1.00 0.00 H new ATOM 0 HE21 GLN A 37 8.015 9.331 -6.145 1.00 0.00 H new ATOM 0 HE22 GLN A 37 8.633 10.174 -4.720 1.00 0.00 H new ATOM 518 N LYS A 38 6.162 8.539 -2.417 1.00 0.00 N ATOM 519 CA LYS A 38 6.090 8.783 -0.986 1.00 0.00 C ATOM 520 C LYS A 38 6.257 10.280 -0.719 1.00 0.00 C ATOM 521 O LYS A 38 7.370 10.801 -0.760 1.00 0.00 O ATOM 522 CB LYS A 38 7.101 7.908 -0.242 1.00 0.00 C ATOM 523 CG LYS A 38 7.006 6.451 -0.698 1.00 0.00 C ATOM 524 CD LYS A 38 7.929 5.556 0.132 1.00 0.00 C ATOM 525 CE LYS A 38 7.663 4.077 -0.157 1.00 0.00 C ATOM 526 NZ LYS A 38 8.461 3.624 -1.319 1.00 0.00 N ATOM 0 H LYS A 38 7.055 8.780 -2.846 1.00 0.00 H new ATOM 0 HA LYS A 38 5.112 8.498 -0.599 1.00 0.00 H new ATOM 0 HB2 LYS A 38 8.110 8.282 -0.417 1.00 0.00 H new ATOM 0 HB3 LYS A 38 6.920 7.969 0.831 1.00 0.00 H new ATOM 0 HG2 LYS A 38 5.977 6.104 -0.606 1.00 0.00 H new ATOM 0 HG3 LYS A 38 7.274 6.378 -1.752 1.00 0.00 H new ATOM 0 HD2 LYS A 38 8.969 5.793 -0.092 1.00 0.00 H new ATOM 0 HD3 LYS A 38 7.778 5.756 1.193 1.00 0.00 H new ATOM 0 HE2 LYS A 38 7.913 3.479 0.719 1.00 0.00 H new ATOM 0 HE3 LYS A 38 6.602 3.924 -0.355 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 7.945 2.875 -1.824 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 8.625 4.425 -1.961 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 9.375 3.253 -0.989 1.00 0.00 H new ATOM 540 N ASP A 39 5.134 10.930 -0.450 1.00 0.00 N ATOM 541 CA ASP A 39 5.142 12.356 -0.176 1.00 0.00 C ATOM 542 C ASP A 39 4.811 12.590 1.299 1.00 0.00 C ATOM 543 O ASP A 39 3.651 12.505 1.700 1.00 0.00 O ATOM 544 CB ASP A 39 4.092 13.085 -1.017 1.00 0.00 C ATOM 545 CG ASP A 39 4.410 14.550 -1.323 1.00 0.00 C ATOM 546 OD1 ASP A 39 5.092 15.170 -0.478 1.00 0.00 O ATOM 547 OD2 ASP A 39 3.965 15.016 -2.393 1.00 0.00 O ATOM 0 H ASP A 39 4.212 10.494 -0.416 1.00 0.00 H new ATOM 0 HA ASP A 39 6.132 12.740 -0.422 1.00 0.00 H new ATOM 0 HB2 ASP A 39 3.969 12.551 -1.959 1.00 0.00 H new ATOM 0 HB3 ASP A 39 3.135 13.038 -0.497 1.00 0.00 H new ATOM 552 N GLY A 40 5.851 12.880 2.067 1.00 0.00 N ATOM 553 CA GLY A 40 5.685 13.126 3.489 1.00 0.00 C ATOM 554 C GLY A 40 5.352 11.833 4.235 1.00 0.00 C ATOM 555 O GLY A 40 5.969 10.796 3.993 1.00 0.00 O ATOM 0 H GLY A 40 6.812 12.950 1.731 1.00 0.00 H new ATOM 0 HA2 GLY A 40 6.599 13.559 3.896 1.00 0.00 H new ATOM 0 HA3 GLY A 40 4.890 13.855 3.645 1.00 0.00 H new ATOM 559 N GLU A 41 4.378 11.935 5.126 1.00 0.00 N ATOM 560 CA GLU A 41 3.955 10.786 5.909 1.00 0.00 C ATOM 561 C GLU A 41 3.047 9.880 5.074 1.00 0.00 C ATOM 562 O GLU A 41 3.156 8.657 5.139 1.00 0.00 O ATOM 563 CB GLU A 41 3.257 11.226 7.197 1.00 0.00 C ATOM 564 CG GLU A 41 4.270 11.456 8.319 1.00 0.00 C ATOM 565 CD GLU A 41 4.362 10.233 9.234 1.00 0.00 C ATOM 566 OE1 GLU A 41 3.505 10.135 10.139 1.00 0.00 O ATOM 567 OE2 GLU A 41 5.287 9.424 9.009 1.00 0.00 O ATOM 0 H GLU A 41 3.869 12.796 5.324 1.00 0.00 H new ATOM 0 HA GLU A 41 4.841 10.218 6.192 1.00 0.00 H new ATOM 0 HB2 GLU A 41 2.696 12.143 7.016 1.00 0.00 H new ATOM 0 HB3 GLU A 41 2.537 10.467 7.502 1.00 0.00 H new ATOM 0 HG2 GLU A 41 5.250 11.669 7.891 1.00 0.00 H new ATOM 0 HG3 GLU A 41 3.980 12.330 8.902 1.00 0.00 H new ATOM 574 N TRP A 42 2.172 10.516 4.310 1.00 0.00 N ATOM 575 CA TRP A 42 1.246 9.784 3.463 1.00 0.00 C ATOM 576 C TRP A 42 1.943 9.506 2.130 1.00 0.00 C ATOM 577 O TRP A 42 2.536 10.405 1.536 1.00 0.00 O ATOM 578 CB TRP A 42 -0.071 10.546 3.303 1.00 0.00 C ATOM 579 CG TRP A 42 -0.868 10.691 4.600 1.00 0.00 C ATOM 580 CD1 TRP A 42 -0.485 11.277 5.743 1.00 0.00 C ATOM 581 CD2 TRP A 42 -2.209 10.216 4.843 1.00 0.00 C ATOM 582 NE1 TRP A 42 -1.477 11.214 6.701 1.00 0.00 N ATOM 583 CE2 TRP A 42 -2.558 10.549 6.136 1.00 0.00 C ATOM 584 CE3 TRP A 42 -3.098 9.529 3.998 1.00 0.00 C ATOM 585 CZ2 TRP A 42 -3.801 10.234 6.699 1.00 0.00 C ATOM 586 CZ3 TRP A 42 -4.335 9.222 4.576 1.00 0.00 C ATOM 587 CH2 TRP A 42 -4.702 9.549 5.876 1.00 0.00 C ATOM 0 H TRP A 42 2.085 11.531 4.260 1.00 0.00 H new ATOM 0 HA TRP A 42 0.976 8.832 3.919 1.00 0.00 H new ATOM 0 HB2 TRP A 42 0.142 11.539 2.906 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -0.688 10.033 2.565 1.00 0.00 H new ATOM 0 HD1 TRP A 42 0.479 11.740 5.895 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -1.426 11.587 7.649 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -2.846 9.259 2.983 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 -4.051 10.505 7.714 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 -5.055 8.694 3.969 1.00 0.00 H new ATOM 0 HH2 TRP A 42 -5.678 9.276 6.249 1.00 0.00 H new ATOM 598 N TRP A 43 1.847 8.257 1.697 1.00 0.00 N ATOM 599 CA TRP A 43 2.460 7.849 0.445 1.00 0.00 C ATOM 600 C TRP A 43 1.346 7.407 -0.505 1.00 0.00 C ATOM 601 O TRP A 43 0.319 6.893 -0.066 1.00 0.00 O ATOM 602 CB TRP A 43 3.514 6.764 0.678 1.00 0.00 C ATOM 603 CG TRP A 43 4.468 7.062 1.836 1.00 0.00 C ATOM 604 CD1 TRP A 43 4.881 8.257 2.279 1.00 0.00 C ATOM 605 CD2 TRP A 43 5.117 6.093 2.686 1.00 0.00 C ATOM 606 NE1 TRP A 43 5.744 8.130 3.347 1.00 0.00 N ATOM 607 CE2 TRP A 43 5.893 6.772 3.603 1.00 0.00 C ATOM 608 CE3 TRP A 43 5.051 4.688 2.680 1.00 0.00 C ATOM 609 CZ2 TRP A 43 6.661 6.131 4.582 1.00 0.00 C ATOM 610 CZ3 TRP A 43 5.824 4.062 3.665 1.00 0.00 C ATOM 611 CH2 TRP A 43 6.610 4.732 4.595 1.00 0.00 C ATOM 0 H TRP A 43 1.353 7.514 2.192 1.00 0.00 H new ATOM 0 HA TRP A 43 2.996 8.681 -0.011 1.00 0.00 H new ATOM 0 HB2 TRP A 43 3.010 5.817 0.871 1.00 0.00 H new ATOM 0 HB3 TRP A 43 4.096 6.635 -0.235 1.00 0.00 H new ATOM 0 HD1 TRP A 43 4.576 9.201 1.853 1.00 0.00 H new ATOM 0 HE1 TRP A 43 6.191 8.893 3.856 1.00 0.00 H new ATOM 0 HE3 TRP A 43 4.451 4.136 1.972 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 7.260 6.685 5.289 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 5.809 2.983 3.705 1.00 0.00 H new ATOM 0 HH2 TRP A 43 7.179 4.176 5.325 1.00 0.00 H new ATOM 622 N THR A 44 1.587 7.623 -1.790 1.00 0.00 N ATOM 623 CA THR A 44 0.617 7.253 -2.806 1.00 0.00 C ATOM 624 C THR A 44 0.713 5.758 -3.117 1.00 0.00 C ATOM 625 O THR A 44 1.731 5.290 -3.626 1.00 0.00 O ATOM 626 CB THR A 44 0.849 8.143 -4.029 1.00 0.00 C ATOM 627 OG1 THR A 44 0.481 9.446 -3.584 1.00 0.00 O ATOM 628 CG2 THR A 44 -0.132 7.846 -5.165 1.00 0.00 C ATOM 0 H THR A 44 2.440 8.050 -2.151 1.00 0.00 H new ATOM 0 HA THR A 44 -0.402 7.416 -2.456 1.00 0.00 H new ATOM 0 HB THR A 44 1.870 8.008 -4.387 1.00 0.00 H new ATOM 0 HG1 THR A 44 0.602 10.088 -4.315 1.00 0.00 H new ATOM 0 HG21 THR A 44 0.077 8.505 -6.008 1.00 0.00 H new ATOM 0 HG22 THR A 44 -0.021 6.808 -5.480 1.00 0.00 H new ATOM 0 HG23 THR A 44 -1.152 8.013 -4.818 1.00 0.00 H new ATOM 636 N GLY A 45 -0.359 5.049 -2.796 1.00 0.00 N ATOM 637 CA GLY A 45 -0.408 3.616 -3.034 1.00 0.00 C ATOM 638 C GLY A 45 -1.222 3.296 -4.289 1.00 0.00 C ATOM 639 O GLY A 45 -1.947 4.151 -4.798 1.00 0.00 O ATOM 0 H GLY A 45 -1.201 5.440 -2.373 1.00 0.00 H new ATOM 0 HA2 GLY A 45 0.604 3.227 -3.144 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -0.850 3.116 -2.172 1.00 0.00 H new ATOM 643 N SER A 46 -1.076 2.064 -4.752 1.00 0.00 N ATOM 644 CA SER A 46 -1.789 1.620 -5.938 1.00 0.00 C ATOM 645 C SER A 46 -2.452 0.267 -5.675 1.00 0.00 C ATOM 646 O SER A 46 -1.889 -0.580 -4.983 1.00 0.00 O ATOM 647 CB SER A 46 -0.851 1.527 -7.143 1.00 0.00 C ATOM 648 OG SER A 46 0.192 2.496 -7.083 1.00 0.00 O ATOM 0 H SER A 46 -0.474 1.358 -4.327 1.00 0.00 H new ATOM 0 HA SER A 46 -2.560 2.356 -6.168 1.00 0.00 H new ATOM 0 HB2 SER A 46 -0.416 0.528 -7.188 1.00 0.00 H new ATOM 0 HB3 SER A 46 -1.424 1.667 -8.060 1.00 0.00 H new ATOM 0 HG SER A 46 0.846 2.231 -6.403 1.00 0.00 H new ATOM 654 N ILE A 47 -3.639 0.104 -6.242 1.00 0.00 N ATOM 655 CA ILE A 47 -4.384 -1.132 -6.077 1.00 0.00 C ATOM 656 C ILE A 47 -5.034 -1.512 -7.409 1.00 0.00 C ATOM 657 O ILE A 47 -5.960 -0.842 -7.865 1.00 0.00 O ATOM 658 CB ILE A 47 -5.377 -1.009 -4.920 1.00 0.00 C ATOM 659 CG1 ILE A 47 -4.661 -1.096 -3.571 1.00 0.00 C ATOM 660 CG2 ILE A 47 -6.494 -2.047 -5.044 1.00 0.00 C ATOM 661 CD1 ILE A 47 -5.619 -0.779 -2.421 1.00 0.00 C ATOM 0 H ILE A 47 -4.103 0.808 -6.816 1.00 0.00 H new ATOM 0 HA ILE A 47 -3.714 -1.948 -5.805 1.00 0.00 H new ATOM 0 HB ILE A 47 -5.844 -0.025 -4.974 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -4.247 -2.095 -3.439 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -3.823 -0.399 -3.554 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -7.186 -1.938 -4.209 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -7.029 -1.895 -5.981 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -6.063 -3.048 -5.030 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -5.085 -0.848 -1.473 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -6.013 0.230 -2.543 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -6.443 -1.493 -2.426 1.00 0.00 H new ATOM 673 N GLY A 48 -4.524 -2.585 -7.995 1.00 0.00 N ATOM 674 CA GLY A 48 -5.044 -3.062 -9.265 1.00 0.00 C ATOM 675 C GLY A 48 -4.870 -2.007 -10.360 1.00 0.00 C ATOM 676 O GLY A 48 -5.682 -1.921 -11.280 1.00 0.00 O ATOM 0 H GLY A 48 -3.756 -3.138 -7.614 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -4.528 -3.978 -9.552 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -6.100 -3.311 -9.159 1.00 0.00 H new ATOM 680 N ASP A 49 -3.805 -1.230 -10.224 1.00 0.00 N ATOM 681 CA ASP A 49 -3.513 -0.185 -11.190 1.00 0.00 C ATOM 682 C ASP A 49 -4.286 1.081 -10.814 1.00 0.00 C ATOM 683 O ASP A 49 -4.554 1.925 -11.668 1.00 0.00 O ATOM 684 CB ASP A 49 -3.942 -0.601 -12.598 1.00 0.00 C ATOM 685 CG ASP A 49 -3.051 -0.078 -13.727 1.00 0.00 C ATOM 686 OD1 ASP A 49 -3.052 1.156 -13.926 1.00 0.00 O ATOM 687 OD2 ASP A 49 -2.387 -0.925 -14.364 1.00 0.00 O ATOM 0 H ASP A 49 -3.134 -1.304 -9.459 1.00 0.00 H new ATOM 0 HA ASP A 49 -2.438 -0.006 -11.179 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -3.964 -1.690 -12.648 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -4.961 -0.253 -12.769 1.00 0.00 H new ATOM 692 N ARG A 50 -4.624 1.172 -9.536 1.00 0.00 N ATOM 693 CA ARG A 50 -5.361 2.321 -9.037 1.00 0.00 C ATOM 694 C ARG A 50 -4.401 3.345 -8.430 1.00 0.00 C ATOM 695 O ARG A 50 -3.206 3.081 -8.301 1.00 0.00 O ATOM 696 CB ARG A 50 -6.384 1.901 -7.980 1.00 0.00 C ATOM 697 CG ARG A 50 -7.572 1.182 -8.622 1.00 0.00 C ATOM 698 CD ARG A 50 -8.546 0.673 -7.557 1.00 0.00 C ATOM 699 NE ARG A 50 -8.632 -0.804 -7.614 1.00 0.00 N ATOM 700 CZ ARG A 50 -9.419 -1.542 -6.819 1.00 0.00 C ATOM 701 NH1 ARG A 50 -10.191 -0.945 -5.901 1.00 0.00 N ATOM 702 NH2 ARG A 50 -9.432 -2.876 -6.942 1.00 0.00 N ATOM 0 H ARG A 50 -4.401 0.469 -8.831 1.00 0.00 H new ATOM 0 HA ARG A 50 -5.888 2.769 -9.879 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -5.909 1.246 -7.250 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -6.735 2.780 -7.439 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -8.090 1.861 -9.299 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -7.214 0.345 -9.222 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -8.214 0.988 -6.568 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -9.532 1.109 -7.716 1.00 0.00 H new ATOM 0 HE ARG A 50 -8.056 -1.290 -8.301 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -10.180 0.071 -5.808 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -10.790 -1.506 -5.296 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -8.843 -3.330 -7.640 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -10.031 -3.438 -6.337 1.00 0.00 H new ATOM 716 N SER A 51 -4.959 4.492 -8.072 1.00 0.00 N ATOM 717 CA SER A 51 -4.167 5.557 -7.481 1.00 0.00 C ATOM 718 C SER A 51 -4.963 6.249 -6.372 1.00 0.00 C ATOM 719 O SER A 51 -6.181 6.390 -6.474 1.00 0.00 O ATOM 720 CB SER A 51 -3.735 6.575 -8.538 1.00 0.00 C ATOM 721 OG SER A 51 -2.337 6.507 -8.806 1.00 0.00 O ATOM 0 H SER A 51 -5.950 4.707 -8.180 1.00 0.00 H new ATOM 0 HA SER A 51 -3.268 5.115 -7.052 1.00 0.00 H new ATOM 0 HB2 SER A 51 -4.290 6.398 -9.460 1.00 0.00 H new ATOM 0 HB3 SER A 51 -3.991 7.579 -8.200 1.00 0.00 H new ATOM 0 HG SER A 51 -2.102 7.171 -9.487 1.00 0.00 H new ATOM 727 N GLY A 52 -4.244 6.662 -5.340 1.00 0.00 N ATOM 728 CA GLY A 52 -4.869 7.335 -4.214 1.00 0.00 C ATOM 729 C GLY A 52 -3.876 7.517 -3.064 1.00 0.00 C ATOM 730 O GLY A 52 -2.767 6.986 -3.107 1.00 0.00 O ATOM 0 H GLY A 52 -3.234 6.544 -5.259 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -5.246 8.307 -4.531 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -5.727 6.757 -3.871 1.00 0.00 H new ATOM 734 N ILE A 53 -4.309 8.269 -2.063 1.00 0.00 N ATOM 735 CA ILE A 53 -3.472 8.528 -0.904 1.00 0.00 C ATOM 736 C ILE A 53 -3.923 7.636 0.254 1.00 0.00 C ATOM 737 O ILE A 53 -5.077 7.212 0.303 1.00 0.00 O ATOM 738 CB ILE A 53 -3.471 10.020 -0.566 1.00 0.00 C ATOM 739 CG1 ILE A 53 -4.866 10.489 -0.147 1.00 0.00 C ATOM 740 CG2 ILE A 53 -2.915 10.845 -1.729 1.00 0.00 C ATOM 741 CD1 ILE A 53 -4.790 11.792 0.651 1.00 0.00 C ATOM 0 H ILE A 53 -5.229 8.708 -2.031 1.00 0.00 H new ATOM 0 HA ILE A 53 -2.434 8.273 -1.119 1.00 0.00 H new ATOM 0 HB ILE A 53 -2.809 10.176 0.286 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -5.485 10.636 -1.032 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -5.347 9.718 0.454 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -2.925 11.902 -1.463 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -1.892 10.534 -1.939 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -3.531 10.688 -2.614 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -5.795 12.103 0.936 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -4.190 11.635 1.548 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -4.330 12.568 0.038 1.00 0.00 H new ATOM 753 N PHE A 54 -2.989 7.377 1.158 1.00 0.00 N ATOM 754 CA PHE A 54 -3.276 6.543 2.313 1.00 0.00 C ATOM 755 C PHE A 54 -2.237 6.758 3.415 1.00 0.00 C ATOM 756 O PHE A 54 -1.158 7.290 3.161 1.00 0.00 O ATOM 757 CB PHE A 54 -3.209 5.089 1.842 1.00 0.00 C ATOM 758 CG PHE A 54 -1.787 4.576 1.606 1.00 0.00 C ATOM 759 CD1 PHE A 54 -1.071 4.059 2.640 1.00 0.00 C ATOM 760 CD2 PHE A 54 -1.240 4.636 0.363 1.00 0.00 C ATOM 761 CE1 PHE A 54 0.249 3.583 2.422 1.00 0.00 C ATOM 762 CE2 PHE A 54 0.080 4.160 0.144 1.00 0.00 C ATOM 763 CZ PHE A 54 0.797 3.643 1.178 1.00 0.00 C ATOM 0 H PHE A 54 -2.033 7.730 1.114 1.00 0.00 H new ATOM 0 HA PHE A 54 -4.256 6.794 2.720 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -3.695 4.455 2.584 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -3.778 4.991 0.917 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -1.506 4.010 3.627 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -1.809 5.046 -0.458 1.00 0.00 H new ATOM 0 HE1 PHE A 54 0.818 3.173 3.244 1.00 0.00 H new ATOM 0 HE2 PHE A 54 0.515 4.208 -0.844 1.00 0.00 H new ATOM 0 HZ PHE A 54 1.801 3.280 1.012 1.00 0.00 H new ATOM 773 N PRO A 55 -2.610 6.321 4.648 1.00 0.00 N ATOM 774 CA PRO A 55 -1.723 6.460 5.791 1.00 0.00 C ATOM 775 C PRO A 55 -0.589 5.435 5.733 1.00 0.00 C ATOM 776 O PRO A 55 -0.836 4.230 5.734 1.00 0.00 O ATOM 777 CB PRO A 55 -2.618 6.287 7.007 1.00 0.00 C ATOM 778 CG PRO A 55 -3.877 5.600 6.504 1.00 0.00 C ATOM 779 CD PRO A 55 -3.880 5.686 4.986 1.00 0.00 C ATOM 0 HA PRO A 55 -1.220 7.427 5.818 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -2.125 5.687 7.772 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -2.853 7.251 7.459 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -3.899 4.559 6.827 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -4.765 6.081 6.915 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -3.961 4.698 4.534 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -4.725 6.273 4.624 1.00 0.00 H new ATOM 787 N SER A 56 0.631 5.951 5.683 1.00 0.00 N ATOM 788 CA SER A 56 1.803 5.095 5.624 1.00 0.00 C ATOM 789 C SER A 56 1.939 4.302 6.925 1.00 0.00 C ATOM 790 O SER A 56 2.751 3.383 7.015 1.00 0.00 O ATOM 791 CB SER A 56 3.070 5.914 5.367 1.00 0.00 C ATOM 792 OG SER A 56 3.438 6.698 6.499 1.00 0.00 O ATOM 0 H SER A 56 0.832 6.951 5.682 1.00 0.00 H new ATOM 0 HA SER A 56 1.677 4.400 4.794 1.00 0.00 H new ATOM 0 HB2 SER A 56 3.889 5.243 5.109 1.00 0.00 H new ATOM 0 HB3 SER A 56 2.911 6.568 4.509 1.00 0.00 H new ATOM 0 HG SER A 56 3.153 7.625 6.361 1.00 0.00 H new ATOM 798 N ASN A 57 1.130 4.688 7.902 1.00 0.00 N ATOM 799 CA ASN A 57 1.150 4.024 9.195 1.00 0.00 C ATOM 800 C ASN A 57 0.163 2.855 9.178 1.00 0.00 C ATOM 801 O ASN A 57 -0.035 2.190 10.194 1.00 0.00 O ATOM 802 CB ASN A 57 0.728 4.982 10.311 1.00 0.00 C ATOM 803 CG ASN A 57 1.678 6.178 10.395 1.00 0.00 C ATOM 804 OD1 ASN A 57 2.875 6.041 10.587 1.00 0.00 O ATOM 805 ND2 ASN A 57 1.080 7.356 10.241 1.00 0.00 N ATOM 0 H ASN A 57 0.458 5.451 7.824 1.00 0.00 H new ATOM 0 HA ASN A 57 2.166 3.677 9.381 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -0.288 5.332 10.130 1.00 0.00 H new ATOM 0 HB3 ASN A 57 0.718 4.454 11.264 1.00 0.00 H new ATOM 0 HD21 ASN A 57 1.628 8.215 10.281 1.00 0.00 H new ATOM 0 HD22 ASN A 57 0.073 7.400 10.083 1.00 0.00 H new ATOM 812 N TYR A 58 -0.429 2.639 8.013 1.00 0.00 N ATOM 813 CA TYR A 58 -1.390 1.561 7.850 1.00 0.00 C ATOM 814 C TYR A 58 -0.960 0.608 6.733 1.00 0.00 C ATOM 815 O TYR A 58 -1.802 0.003 6.071 1.00 0.00 O ATOM 816 CB TYR A 58 -2.709 2.228 7.456 1.00 0.00 C ATOM 817 CG TYR A 58 -3.438 2.901 8.621 1.00 0.00 C ATOM 818 CD1 TYR A 58 -2.815 3.901 9.339 1.00 0.00 C ATOM 819 CD2 TYR A 58 -4.719 2.509 8.953 1.00 0.00 C ATOM 820 CE1 TYR A 58 -3.501 4.535 10.435 1.00 0.00 C ATOM 821 CE2 TYR A 58 -5.405 3.142 10.049 1.00 0.00 C ATOM 822 CZ TYR A 58 -4.762 4.124 10.736 1.00 0.00 C ATOM 823 OH TYR A 58 -5.410 4.723 11.771 1.00 0.00 O ATOM 0 H TYR A 58 -0.262 3.192 7.172 1.00 0.00 H new ATOM 0 HA TYR A 58 -1.474 0.979 8.768 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -2.512 2.973 6.685 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -3.366 1.479 7.014 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -1.813 4.208 9.079 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -5.207 1.727 8.390 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -3.025 5.319 11.005 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -6.407 2.844 10.319 1.00 0.00 H new ATOM 0 HH TYR A 58 -6.302 4.329 11.870 1.00 0.00 H new ATOM 833 N VAL A 59 0.349 0.504 6.558 1.00 0.00 N ATOM 834 CA VAL A 59 0.900 -0.366 5.532 1.00 0.00 C ATOM 835 C VAL A 59 2.225 -0.952 6.025 1.00 0.00 C ATOM 836 O VAL A 59 3.013 -0.261 6.668 1.00 0.00 O ATOM 837 CB VAL A 59 1.039 0.401 4.215 1.00 0.00 C ATOM 838 CG1 VAL A 59 -0.300 1.007 3.790 1.00 0.00 C ATOM 839 CG2 VAL A 59 2.120 1.479 4.319 1.00 0.00 C ATOM 0 H VAL A 59 1.044 1.007 7.109 1.00 0.00 H new ATOM 0 HA VAL A 59 0.227 -1.201 5.337 1.00 0.00 H new ATOM 0 HB VAL A 59 1.346 -0.308 3.446 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -0.174 1.547 2.851 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -1.033 0.212 3.655 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -0.649 1.695 4.560 1.00 0.00 H new ATOM 0 HG21 VAL A 59 2.198 2.009 3.370 1.00 0.00 H new ATOM 0 HG22 VAL A 59 1.856 2.184 5.107 1.00 0.00 H new ATOM 0 HG23 VAL A 59 3.077 1.013 4.554 1.00 0.00 H new ATOM 849 N LYS A 60 2.429 -2.221 5.704 1.00 0.00 N ATOM 850 CA LYS A 60 3.644 -2.908 6.105 1.00 0.00 C ATOM 851 C LYS A 60 4.422 -3.332 4.858 1.00 0.00 C ATOM 852 O LYS A 60 3.836 -3.530 3.794 1.00 0.00 O ATOM 853 CB LYS A 60 3.318 -4.067 7.050 1.00 0.00 C ATOM 854 CG LYS A 60 2.675 -5.229 6.289 1.00 0.00 C ATOM 855 CD LYS A 60 2.792 -6.533 7.081 1.00 0.00 C ATOM 856 CE LYS A 60 3.537 -7.599 6.275 1.00 0.00 C ATOM 857 NZ LYS A 60 4.157 -8.593 7.179 1.00 0.00 N ATOM 0 H LYS A 60 1.773 -2.791 5.171 1.00 0.00 H new ATOM 0 HA LYS A 60 4.290 -2.237 6.671 1.00 0.00 H new ATOM 0 HB2 LYS A 60 4.229 -4.409 7.541 1.00 0.00 H new ATOM 0 HB3 LYS A 60 2.643 -3.723 7.834 1.00 0.00 H new ATOM 0 HG2 LYS A 60 1.625 -5.007 6.099 1.00 0.00 H new ATOM 0 HG3 LYS A 60 3.157 -5.344 5.318 1.00 0.00 H new ATOM 0 HD2 LYS A 60 3.317 -6.348 8.018 1.00 0.00 H new ATOM 0 HD3 LYS A 60 1.797 -6.896 7.339 1.00 0.00 H new ATOM 0 HE2 LYS A 60 2.846 -8.098 5.595 1.00 0.00 H new ATOM 0 HE3 LYS A 60 4.305 -7.128 5.661 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 4.659 -9.309 6.616 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 4.831 -8.115 7.811 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 3.418 -9.054 7.747 1.00 0.00 H new ATOM 871 N PRO A 61 5.764 -3.463 5.033 1.00 0.00 N ATOM 872 CA PRO A 61 6.627 -3.860 3.934 1.00 0.00 C ATOM 873 C PRO A 61 6.486 -5.354 3.638 1.00 0.00 C ATOM 874 O PRO A 61 6.808 -6.191 4.480 1.00 0.00 O ATOM 875 CB PRO A 61 8.029 -3.473 4.376 1.00 0.00 C ATOM 876 CG PRO A 61 7.959 -3.302 5.885 1.00 0.00 C ATOM 877 CD PRO A 61 6.492 -3.238 6.278 1.00 0.00 C ATOM 0 HA PRO A 61 6.368 -3.367 2.997 1.00 0.00 H new ATOM 0 HB2 PRO A 61 8.751 -4.243 4.103 1.00 0.00 H new ATOM 0 HB3 PRO A 61 8.350 -2.550 3.893 1.00 0.00 H new ATOM 0 HG2 PRO A 61 8.453 -4.134 6.387 1.00 0.00 H new ATOM 0 HG3 PRO A 61 8.476 -2.393 6.191 1.00 0.00 H new ATOM 0 HD2 PRO A 61 6.248 -3.996 7.022 1.00 0.00 H new ATOM 0 HD3 PRO A 61 6.241 -2.271 6.714 1.00 0.00 H new ATOM 885 N LYS A 62 6.003 -5.644 2.438 1.00 0.00 N ATOM 886 CA LYS A 62 5.815 -7.022 2.020 1.00 0.00 C ATOM 887 C LYS A 62 7.114 -7.800 2.240 1.00 0.00 C ATOM 888 O LYS A 62 8.019 -7.750 1.408 1.00 0.00 O ATOM 889 CB LYS A 62 5.300 -7.080 0.580 1.00 0.00 C ATOM 890 CG LYS A 62 4.154 -8.085 0.447 1.00 0.00 C ATOM 891 CD LYS A 62 3.303 -7.787 -0.789 1.00 0.00 C ATOM 892 CE LYS A 62 3.906 -8.432 -2.038 1.00 0.00 C ATOM 893 NZ LYS A 62 3.056 -8.166 -3.220 1.00 0.00 N ATOM 0 H LYS A 62 5.736 -4.947 1.742 1.00 0.00 H new ATOM 0 HA LYS A 62 5.049 -7.503 2.628 1.00 0.00 H new ATOM 0 HB2 LYS A 62 4.959 -6.092 0.272 1.00 0.00 H new ATOM 0 HB3 LYS A 62 6.113 -7.360 -0.090 1.00 0.00 H new ATOM 0 HG2 LYS A 62 4.558 -9.095 0.380 1.00 0.00 H new ATOM 0 HG3 LYS A 62 3.530 -8.050 1.340 1.00 0.00 H new ATOM 0 HD2 LYS A 62 2.290 -8.159 -0.636 1.00 0.00 H new ATOM 0 HD3 LYS A 62 3.228 -6.709 -0.932 1.00 0.00 H new ATOM 0 HE2 LYS A 62 4.909 -8.041 -2.208 1.00 0.00 H new ATOM 0 HE3 LYS A 62 4.004 -9.507 -1.888 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 3.658 -8.032 -4.057 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 2.418 -8.972 -3.378 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 2.493 -7.307 -3.057 1.00 0.00 H new ATOM 907 N ASP A 63 7.165 -8.499 3.363 1.00 0.00 N ATOM 908 CA ASP A 63 8.338 -9.286 3.703 1.00 0.00 C ATOM 909 C ASP A 63 8.039 -10.768 3.469 1.00 0.00 C ATOM 910 O ASP A 63 7.065 -11.300 3.999 1.00 0.00 O ATOM 911 CB ASP A 63 8.714 -9.107 5.175 1.00 0.00 C ATOM 912 CG ASP A 63 10.143 -9.522 5.533 1.00 0.00 C ATOM 913 OD1 ASP A 63 10.809 -10.091 4.641 1.00 0.00 O ATOM 914 OD2 ASP A 63 10.537 -9.261 6.690 1.00 0.00 O ATOM 0 H ASP A 63 6.412 -8.537 4.050 1.00 0.00 H new ATOM 0 HA ASP A 63 9.163 -8.948 3.076 1.00 0.00 H new ATOM 0 HB2 ASP A 63 8.578 -8.060 5.444 1.00 0.00 H new ATOM 0 HB3 ASP A 63 8.020 -9.686 5.785 1.00 0.00 H new ATOM 919 N SER A 64 8.895 -11.393 2.674 1.00 0.00 N ATOM 920 CA SER A 64 8.734 -12.803 2.363 1.00 0.00 C ATOM 921 C SER A 64 9.504 -13.654 3.375 1.00 0.00 C ATOM 922 O SER A 64 10.711 -13.485 3.542 1.00 0.00 O ATOM 923 CB SER A 64 9.208 -13.111 0.941 1.00 0.00 C ATOM 924 OG SER A 64 8.869 -14.436 0.540 1.00 0.00 O ATOM 0 H SER A 64 9.702 -10.949 2.236 1.00 0.00 H new ATOM 0 HA SER A 64 7.674 -13.048 2.425 1.00 0.00 H new ATOM 0 HB2 SER A 64 8.762 -12.397 0.248 1.00 0.00 H new ATOM 0 HB3 SER A 64 10.289 -12.980 0.883 1.00 0.00 H new ATOM 0 HG SER A 64 9.187 -14.593 -0.374 1.00 0.00 H new ATOM 930 N GLY A 65 8.775 -14.549 4.024 1.00 0.00 N ATOM 931 CA GLY A 65 9.375 -15.426 5.015 1.00 0.00 C ATOM 932 C GLY A 65 8.695 -15.262 6.376 1.00 0.00 C ATOM 933 O GLY A 65 8.226 -14.175 6.712 1.00 0.00 O ATOM 0 H GLY A 65 7.774 -14.686 3.883 1.00 0.00 H new ATOM 0 HA2 GLY A 65 9.293 -16.462 4.686 1.00 0.00 H new ATOM 0 HA3 GLY A 65 10.438 -15.204 5.107 1.00 0.00 H new ATOM 937 N PRO A 66 8.662 -16.385 7.142 1.00 0.00 N ATOM 938 CA PRO A 66 8.047 -16.376 8.458 1.00 0.00 C ATOM 939 C PRO A 66 8.942 -15.666 9.476 1.00 0.00 C ATOM 940 O PRO A 66 9.558 -16.311 10.323 1.00 0.00 O ATOM 941 CB PRO A 66 7.812 -17.840 8.793 1.00 0.00 C ATOM 942 CG PRO A 66 8.720 -18.630 7.865 1.00 0.00 C ATOM 943 CD PRO A 66 9.207 -17.689 6.776 1.00 0.00 C ATOM 0 HA PRO A 66 7.109 -15.821 8.480 1.00 0.00 H new ATOM 0 HB2 PRO A 66 8.048 -18.044 9.837 1.00 0.00 H new ATOM 0 HB3 PRO A 66 6.767 -18.112 8.643 1.00 0.00 H new ATOM 0 HG2 PRO A 66 9.564 -19.043 8.418 1.00 0.00 H new ATOM 0 HG3 PRO A 66 8.181 -19.472 7.429 1.00 0.00 H new ATOM 0 HD2 PRO A 66 10.296 -17.665 6.731 1.00 0.00 H new ATOM 0 HD3 PRO A 66 8.855 -18.004 5.794 1.00 0.00 H new ATOM 951 N SER A 67 8.986 -14.347 9.360 1.00 0.00 N ATOM 952 CA SER A 67 9.795 -13.543 10.260 1.00 0.00 C ATOM 953 C SER A 67 8.932 -12.464 10.917 1.00 0.00 C ATOM 954 O SER A 67 8.311 -11.655 10.229 1.00 0.00 O ATOM 955 CB SER A 67 10.971 -12.903 9.519 1.00 0.00 C ATOM 956 OG SER A 67 10.536 -12.020 8.489 1.00 0.00 O ATOM 0 H SER A 67 8.474 -13.815 8.656 1.00 0.00 H new ATOM 0 HA SER A 67 10.199 -14.197 11.033 1.00 0.00 H new ATOM 0 HB2 SER A 67 11.591 -12.355 10.228 1.00 0.00 H new ATOM 0 HB3 SER A 67 11.596 -13.685 9.087 1.00 0.00 H new ATOM 0 HG SER A 67 9.689 -11.604 8.751 1.00 0.00 H new ATOM 962 N SER A 68 8.920 -12.487 12.242 1.00 0.00 N ATOM 963 CA SER A 68 8.143 -11.522 13.000 1.00 0.00 C ATOM 964 C SER A 68 8.637 -10.104 12.704 1.00 0.00 C ATOM 965 O SER A 68 7.865 -9.254 12.263 1.00 0.00 O ATOM 966 CB SER A 68 8.221 -11.808 14.501 1.00 0.00 C ATOM 967 OG SER A 68 7.571 -13.028 14.847 1.00 0.00 O ATOM 0 H SER A 68 9.436 -13.159 12.810 1.00 0.00 H new ATOM 0 HA SER A 68 7.100 -11.608 12.695 1.00 0.00 H new ATOM 0 HB2 SER A 68 9.266 -11.855 14.807 1.00 0.00 H new ATOM 0 HB3 SER A 68 7.764 -10.985 15.051 1.00 0.00 H new ATOM 0 HG SER A 68 7.645 -13.175 15.813 1.00 0.00 H new ATOM 973 N GLY A 69 9.920 -9.894 12.958 1.00 0.00 N ATOM 974 CA GLY A 69 10.526 -8.594 12.724 1.00 0.00 C ATOM 975 C GLY A 69 11.463 -8.636 11.516 1.00 0.00 C ATOM 976 O GLY A 69 12.355 -7.799 11.388 1.00 0.00 O ATOM 0 H GLY A 69 10.557 -10.602 13.324 1.00 0.00 H new ATOM 0 HA2 GLY A 69 9.747 -7.850 12.559 1.00 0.00 H new ATOM 0 HA3 GLY A 69 11.081 -8.283 13.609 1.00 0.00 H new TER 980 GLY A 69