USER MOD reduce.3.24.130724 H: found=0, std=0, add=701, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 700 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 5 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 6 SER OG : rot 180:sc=-0.00449 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (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 8 GLN : amide:sc= 0 X(o=0,f=-0.24) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 180:sc= 0.0156 USER MOD Single : A 31 THR OG1 : rot 180:sc= -0.0465 USER MOD Single : A 35 HIS : no HD1:sc=-0.00316 X(o=-0.0032,f=-0.049) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot -57:sc= 0.0963 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 ASN : amide:sc= -0.653 X(o=-0.65,f=-0.22) USER MOD Single : A 68 SER OG : rot 29:sc= 0.0403 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 GLN : amide:sc= -0.226 K(o=-0.23,f=-1.6!) USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 CYS SG : rot -126:sc= 1.61 USER MOD Single : A 78 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 81 TYR OH : rot 180:sc= -0.0114 USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 94 THR OG1 : rot 180:sc= -0.0325 USER MOD Single : A 95 SER OG : rot 180:sc= -0.0501 USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 22.360 -41.556 -17.015 1.00 0.00 N ATOM 2 CA GLY A 1 23.602 -42.362 -16.859 1.00 0.00 C ATOM 3 C GLY A 1 23.878 -42.727 -15.414 1.00 0.00 C ATOM 4 O GLY A 1 22.995 -43.220 -14.711 1.00 0.00 O ATOM 0 H1 GLY A 1 22.215 -41.332 -18.020 1.00 0.00 H new ATOM 0 H2 GLY A 1 21.547 -42.099 -16.661 1.00 0.00 H new ATOM 0 H3 GLY A 1 22.449 -40.673 -16.473 1.00 0.00 H new ATOM 0 HA2 GLY A 1 23.517 -43.273 -17.451 1.00 0.00 H new ATOM 0 HA3 GLY A 1 24.448 -41.801 -17.257 1.00 0.00 H new ATOM 10 N SER A 2 25.107 -42.485 -14.968 1.00 0.00 N ATOM 11 CA SER A 2 25.497 -42.793 -13.597 1.00 0.00 C ATOM 12 C SER A 2 26.233 -41.617 -12.963 1.00 0.00 C ATOM 13 O SER A 2 27.386 -41.341 -13.296 1.00 0.00 O ATOM 14 CB SER A 2 26.382 -44.040 -13.564 1.00 0.00 C ATOM 15 OG SER A 2 25.761 -45.125 -14.234 1.00 0.00 O ATOM 0 H SER A 2 25.849 -42.077 -15.536 1.00 0.00 H new ATOM 0 HA SER A 2 24.590 -42.984 -13.023 1.00 0.00 H new ATOM 0 HB2 SER A 2 27.342 -43.821 -14.032 1.00 0.00 H new ATOM 0 HB3 SER A 2 26.587 -44.317 -12.530 1.00 0.00 H new ATOM 0 HG SER A 2 26.348 -45.909 -14.200 1.00 0.00 H new ATOM 21 N SER A 3 25.559 -40.927 -12.049 1.00 0.00 N ATOM 22 CA SER A 3 26.149 -39.780 -11.369 1.00 0.00 C ATOM 23 C SER A 3 25.898 -39.852 -9.866 1.00 0.00 C ATOM 24 O SER A 3 26.830 -40.011 -9.078 1.00 0.00 O ATOM 25 CB SER A 3 25.578 -38.477 -11.931 1.00 0.00 C ATOM 26 OG SER A 3 25.320 -38.591 -13.320 1.00 0.00 O ATOM 0 H SER A 3 24.604 -41.142 -11.762 1.00 0.00 H new ATOM 0 HA SER A 3 27.225 -39.801 -11.542 1.00 0.00 H new ATOM 0 HB2 SER A 3 24.657 -38.224 -11.406 1.00 0.00 H new ATOM 0 HB3 SER A 3 26.280 -37.662 -11.754 1.00 0.00 H new ATOM 0 HG SER A 3 24.954 -37.746 -13.655 1.00 0.00 H new ATOM 32 N GLY A 4 24.633 -39.733 -9.476 1.00 0.00 N ATOM 33 CA GLY A 4 24.283 -39.787 -8.069 1.00 0.00 C ATOM 34 C GLY A 4 24.324 -38.423 -7.408 1.00 0.00 C ATOM 35 O GLY A 4 24.685 -38.306 -6.237 1.00 0.00 O ATOM 0 H GLY A 4 23.844 -39.600 -10.109 1.00 0.00 H new ATOM 0 HA2 GLY A 4 23.284 -40.209 -7.962 1.00 0.00 H new ATOM 0 HA3 GLY A 4 24.969 -40.458 -7.553 1.00 0.00 H new ATOM 39 N SER A 5 23.954 -37.392 -8.158 1.00 0.00 N ATOM 40 CA SER A 5 23.951 -36.030 -7.637 1.00 0.00 C ATOM 41 C SER A 5 22.741 -35.794 -6.739 1.00 0.00 C ATOM 42 O SER A 5 22.885 -35.445 -5.567 1.00 0.00 O ATOM 43 CB SER A 5 23.952 -35.021 -8.787 1.00 0.00 C ATOM 44 OG SER A 5 24.020 -33.692 -8.300 1.00 0.00 O ATOM 0 H SER A 5 23.652 -37.473 -9.129 1.00 0.00 H new ATOM 0 HA SER A 5 24.854 -35.893 -7.043 1.00 0.00 H new ATOM 0 HB2 SER A 5 24.800 -35.215 -9.444 1.00 0.00 H new ATOM 0 HB3 SER A 5 23.050 -35.146 -9.386 1.00 0.00 H new ATOM 0 HG SER A 5 24.021 -33.067 -9.055 1.00 0.00 H new ATOM 50 N SER A 6 21.551 -35.984 -7.297 1.00 0.00 N ATOM 51 CA SER A 6 20.315 -35.792 -6.547 1.00 0.00 C ATOM 52 C SER A 6 19.112 -36.288 -7.342 1.00 0.00 C ATOM 53 O SER A 6 19.237 -36.658 -8.509 1.00 0.00 O ATOM 54 CB SER A 6 20.134 -34.315 -6.193 1.00 0.00 C ATOM 55 OG SER A 6 20.772 -33.480 -7.143 1.00 0.00 O ATOM 0 H SER A 6 21.416 -36.271 -8.266 1.00 0.00 H new ATOM 0 HA SER A 6 20.383 -36.374 -5.628 1.00 0.00 H new ATOM 0 HB2 SER A 6 19.071 -34.076 -6.150 1.00 0.00 H new ATOM 0 HB3 SER A 6 20.544 -34.123 -5.202 1.00 0.00 H new ATOM 0 HG SER A 6 20.640 -32.541 -6.894 1.00 0.00 H new ATOM 61 N GLY A 7 17.947 -36.291 -6.703 1.00 0.00 N ATOM 62 CA GLY A 7 16.737 -36.743 -7.366 1.00 0.00 C ATOM 63 C GLY A 7 15.496 -36.048 -6.844 1.00 0.00 C ATOM 64 O GLY A 7 14.414 -36.636 -6.812 1.00 0.00 O ATOM 0 H GLY A 7 17.819 -35.988 -5.737 1.00 0.00 H new ATOM 0 HA2 GLY A 7 16.826 -36.565 -8.438 1.00 0.00 H new ATOM 0 HA3 GLY A 7 16.632 -37.819 -7.229 1.00 0.00 H new ATOM 68 N GLN A 8 15.650 -34.794 -6.433 1.00 0.00 N ATOM 69 CA GLN A 8 14.531 -34.018 -5.909 1.00 0.00 C ATOM 70 C GLN A 8 14.528 -32.608 -6.490 1.00 0.00 C ATOM 71 O GLN A 8 15.426 -31.812 -6.218 1.00 0.00 O ATOM 72 CB GLN A 8 14.601 -33.952 -4.382 1.00 0.00 C ATOM 73 CG GLN A 8 15.969 -33.553 -3.853 1.00 0.00 C ATOM 74 CD GLN A 8 15.884 -32.711 -2.595 1.00 0.00 C ATOM 75 OE1 GLN A 8 15.005 -32.915 -1.756 1.00 0.00 O ATOM 76 NE2 GLN A 8 16.798 -31.758 -2.458 1.00 0.00 N ATOM 0 H GLN A 8 16.538 -34.293 -6.452 1.00 0.00 H new ATOM 0 HA GLN A 8 13.607 -34.515 -6.203 1.00 0.00 H new ATOM 0 HB2 GLN A 8 13.859 -33.238 -4.023 1.00 0.00 H new ATOM 0 HB3 GLN A 8 14.332 -34.925 -3.972 1.00 0.00 H new ATOM 0 HG2 GLN A 8 16.551 -34.451 -3.646 1.00 0.00 H new ATOM 0 HG3 GLN A 8 16.504 -32.997 -4.623 1.00 0.00 H new ATOM 0 HE21 GLN A 8 17.508 -31.625 -3.178 1.00 0.00 H new ATOM 0 HE22 GLN A 8 16.790 -31.159 -1.632 1.00 0.00 H new ATOM 85 N ALA A 9 13.513 -32.307 -7.294 1.00 0.00 N ATOM 86 CA ALA A 9 13.393 -30.993 -7.913 1.00 0.00 C ATOM 87 C ALA A 9 12.533 -30.062 -7.066 1.00 0.00 C ATOM 88 O ALA A 9 11.314 -30.010 -7.227 1.00 0.00 O ATOM 89 CB ALA A 9 12.815 -31.122 -9.314 1.00 0.00 C ATOM 0 H ALA A 9 12.762 -32.955 -7.532 1.00 0.00 H new ATOM 0 HA ALA A 9 14.390 -30.558 -7.982 1.00 0.00 H new ATOM 0 HB1 ALA A 9 12.731 -30.133 -9.765 1.00 0.00 H new ATOM 0 HB2 ALA A 9 13.472 -31.744 -9.923 1.00 0.00 H new ATOM 0 HB3 ALA A 9 11.828 -31.581 -9.260 1.00 0.00 H new ATOM 95 N LEU A 10 13.176 -29.328 -6.163 1.00 0.00 N ATOM 96 CA LEU A 10 12.470 -28.398 -5.291 1.00 0.00 C ATOM 97 C LEU A 10 12.749 -26.953 -5.697 1.00 0.00 C ATOM 98 O LEU A 10 12.743 -26.051 -4.859 1.00 0.00 O ATOM 99 CB LEU A 10 12.878 -28.625 -3.832 1.00 0.00 C ATOM 100 CG LEU A 10 11.763 -29.145 -2.922 1.00 0.00 C ATOM 101 CD1 LEU A 10 11.873 -30.653 -2.750 1.00 0.00 C ATOM 102 CD2 LEU A 10 11.807 -28.448 -1.571 1.00 0.00 C ATOM 0 H LEU A 10 14.185 -29.360 -6.017 1.00 0.00 H new ATOM 0 HA LEU A 10 11.400 -28.582 -5.392 1.00 0.00 H new ATOM 0 HB2 LEU A 10 13.706 -29.333 -3.808 1.00 0.00 H new ATOM 0 HB3 LEU A 10 13.251 -27.685 -3.424 1.00 0.00 H new ATOM 0 HG LEU A 10 10.805 -28.922 -3.392 1.00 0.00 H new ATOM 0 HD11 LEU A 10 11.072 -31.004 -2.100 1.00 0.00 H new ATOM 0 HD12 LEU A 10 11.790 -31.137 -3.723 1.00 0.00 H new ATOM 0 HD13 LEU A 10 12.837 -30.899 -2.304 1.00 0.00 H new ATOM 0 HD21 LEU A 10 11.007 -28.831 -0.938 1.00 0.00 H new ATOM 0 HD22 LEU A 10 12.769 -28.638 -1.095 1.00 0.00 H new ATOM 0 HD23 LEU A 10 11.677 -27.375 -1.711 1.00 0.00 H new ATOM 114 N ALA A 11 12.994 -26.742 -6.986 1.00 0.00 N ATOM 115 CA ALA A 11 13.276 -25.408 -7.502 1.00 0.00 C ATOM 116 C ALA A 11 12.148 -24.919 -8.404 1.00 0.00 C ATOM 117 O ALA A 11 11.843 -23.726 -8.442 1.00 0.00 O ATOM 118 CB ALA A 11 14.598 -25.401 -8.255 1.00 0.00 C ATOM 0 H ALA A 11 13.003 -27.478 -7.692 1.00 0.00 H new ATOM 0 HA ALA A 11 13.350 -24.726 -6.655 1.00 0.00 H new ATOM 0 HB1 ALA A 11 14.795 -24.398 -8.634 1.00 0.00 H new ATOM 0 HB2 ALA A 11 15.402 -25.699 -7.582 1.00 0.00 H new ATOM 0 HB3 ALA A 11 14.545 -26.101 -9.089 1.00 0.00 H new ATOM 124 N SER A 12 11.532 -25.847 -9.130 1.00 0.00 N ATOM 125 CA SER A 12 10.438 -25.509 -10.033 1.00 0.00 C ATOM 126 C SER A 12 9.143 -25.283 -9.259 1.00 0.00 C ATOM 127 O SER A 12 8.699 -26.151 -8.507 1.00 0.00 O ATOM 128 CB SER A 12 10.241 -26.618 -11.067 1.00 0.00 C ATOM 129 OG SER A 12 11.162 -26.489 -12.136 1.00 0.00 O ATOM 0 H SER A 12 11.772 -26.838 -9.110 1.00 0.00 H new ATOM 0 HA SER A 12 10.698 -24.584 -10.548 1.00 0.00 H new ATOM 0 HB2 SER A 12 10.366 -27.590 -10.590 1.00 0.00 H new ATOM 0 HB3 SER A 12 9.223 -26.582 -11.454 1.00 0.00 H new ATOM 0 HG SER A 12 11.016 -27.211 -12.782 1.00 0.00 H new ATOM 135 N ASP A 13 8.543 -24.113 -9.449 1.00 0.00 N ATOM 136 CA ASP A 13 7.298 -23.774 -8.770 1.00 0.00 C ATOM 137 C ASP A 13 7.484 -23.786 -7.255 1.00 0.00 C ATOM 138 O ASP A 13 6.621 -24.261 -6.517 1.00 0.00 O ATOM 139 CB ASP A 13 6.190 -24.751 -9.169 1.00 0.00 C ATOM 140 CG ASP A 13 4.848 -24.066 -9.337 1.00 0.00 C ATOM 141 OD1 ASP A 13 4.447 -23.314 -8.423 1.00 0.00 O ATOM 142 OD2 ASP A 13 4.198 -24.282 -10.380 1.00 0.00 O ATOM 0 H ASP A 13 8.899 -23.384 -10.067 1.00 0.00 H new ATOM 0 HA ASP A 13 7.010 -22.768 -9.075 1.00 0.00 H new ATOM 0 HB2 ASP A 13 6.463 -25.244 -10.102 1.00 0.00 H new ATOM 0 HB3 ASP A 13 6.105 -25.529 -8.411 1.00 0.00 H new ATOM 147 N SER A 14 8.617 -23.261 -6.799 1.00 0.00 N ATOM 148 CA SER A 14 8.915 -23.212 -5.371 1.00 0.00 C ATOM 149 C SER A 14 7.928 -22.307 -4.641 1.00 0.00 C ATOM 150 O SER A 14 7.201 -22.754 -3.753 1.00 0.00 O ATOM 151 CB SER A 14 10.344 -22.717 -5.143 1.00 0.00 C ATOM 152 OG SER A 14 10.643 -21.615 -5.983 1.00 0.00 O ATOM 0 H SER A 14 9.343 -22.864 -7.396 1.00 0.00 H new ATOM 0 HA SER A 14 8.820 -24.221 -4.970 1.00 0.00 H new ATOM 0 HB2 SER A 14 10.470 -22.427 -4.100 1.00 0.00 H new ATOM 0 HB3 SER A 14 11.048 -23.527 -5.336 1.00 0.00 H new ATOM 0 HG SER A 14 11.561 -21.316 -5.817 1.00 0.00 H new ATOM 158 N GLU A 15 7.906 -21.034 -5.021 1.00 0.00 N ATOM 159 CA GLU A 15 7.007 -20.067 -4.403 1.00 0.00 C ATOM 160 C GLU A 15 6.776 -18.872 -5.323 1.00 0.00 C ATOM 161 O GLU A 15 7.725 -18.242 -5.790 1.00 0.00 O ATOM 162 CB GLU A 15 7.576 -19.595 -3.062 1.00 0.00 C ATOM 163 CG GLU A 15 6.781 -20.080 -1.861 1.00 0.00 C ATOM 164 CD GLU A 15 7.589 -20.056 -0.579 1.00 0.00 C ATOM 165 OE1 GLU A 15 7.848 -18.950 -0.060 1.00 0.00 O ATOM 166 OE2 GLU A 15 7.964 -21.145 -0.093 1.00 0.00 O ATOM 0 H GLU A 15 8.501 -20.648 -5.754 1.00 0.00 H new ATOM 0 HA GLU A 15 6.049 -20.557 -4.230 1.00 0.00 H new ATOM 0 HB2 GLU A 15 8.605 -19.942 -2.971 1.00 0.00 H new ATOM 0 HB3 GLU A 15 7.605 -18.505 -3.052 1.00 0.00 H new ATOM 0 HG2 GLU A 15 5.896 -19.456 -1.740 1.00 0.00 H new ATOM 0 HG3 GLU A 15 6.432 -21.096 -2.047 1.00 0.00 H new ATOM 173 N GLU A 16 5.508 -18.567 -5.581 1.00 0.00 N ATOM 174 CA GLU A 16 5.152 -17.448 -6.446 1.00 0.00 C ATOM 175 C GLU A 16 3.927 -16.714 -5.908 1.00 0.00 C ATOM 176 O GLU A 16 2.791 -17.067 -6.226 1.00 0.00 O ATOM 177 CB GLU A 16 4.882 -17.942 -7.868 1.00 0.00 C ATOM 178 CG GLU A 16 4.819 -16.825 -8.897 1.00 0.00 C ATOM 179 CD GLU A 16 4.582 -17.342 -10.303 1.00 0.00 C ATOM 180 OE1 GLU A 16 3.525 -17.963 -10.536 1.00 0.00 O ATOM 181 OE2 GLU A 16 5.453 -17.123 -11.171 1.00 0.00 O ATOM 0 H GLU A 16 4.711 -19.079 -5.204 1.00 0.00 H new ATOM 0 HA GLU A 16 5.991 -16.753 -6.464 1.00 0.00 H new ATOM 0 HB2 GLU A 16 5.664 -18.645 -8.154 1.00 0.00 H new ATOM 0 HB3 GLU A 16 3.940 -18.490 -7.881 1.00 0.00 H new ATOM 0 HG2 GLU A 16 4.021 -16.133 -8.629 1.00 0.00 H new ATOM 0 HG3 GLU A 16 5.751 -16.261 -8.873 1.00 0.00 H new ATOM 188 N ALA A 17 4.166 -15.691 -5.095 1.00 0.00 N ATOM 189 CA ALA A 17 3.082 -14.906 -4.515 1.00 0.00 C ATOM 190 C ALA A 17 3.536 -13.484 -4.209 1.00 0.00 C ATOM 191 O ALA A 17 4.728 -13.178 -4.254 1.00 0.00 O ATOM 192 CB ALA A 17 2.559 -15.579 -3.254 1.00 0.00 C ATOM 0 H ALA A 17 5.100 -15.386 -4.823 1.00 0.00 H new ATOM 0 HA ALA A 17 2.275 -14.851 -5.246 1.00 0.00 H new ATOM 0 HB1 ALA A 17 1.750 -14.982 -2.832 1.00 0.00 H new ATOM 0 HB2 ALA A 17 2.186 -16.573 -3.500 1.00 0.00 H new ATOM 0 HB3 ALA A 17 3.366 -15.664 -2.526 1.00 0.00 H new ATOM 198 N ASP A 18 2.578 -12.617 -3.897 1.00 0.00 N ATOM 199 CA ASP A 18 2.878 -11.225 -3.583 1.00 0.00 C ATOM 200 C ASP A 18 3.682 -11.119 -2.292 1.00 0.00 C ATOM 201 O ASP A 18 3.118 -11.068 -1.198 1.00 0.00 O ATOM 202 CB ASP A 18 1.584 -10.419 -3.459 1.00 0.00 C ATOM 203 CG ASP A 18 0.696 -10.559 -4.681 1.00 0.00 C ATOM 204 OD1 ASP A 18 0.033 -11.608 -4.816 1.00 0.00 O ATOM 205 OD2 ASP A 18 0.666 -9.619 -5.504 1.00 0.00 O ATOM 0 H ASP A 18 1.587 -12.854 -3.855 1.00 0.00 H new ATOM 0 HA ASP A 18 3.477 -10.816 -4.397 1.00 0.00 H new ATOM 0 HB2 ASP A 18 1.037 -10.749 -2.576 1.00 0.00 H new ATOM 0 HB3 ASP A 18 1.827 -9.367 -3.309 1.00 0.00 H new ATOM 210 N GLU A 19 5.004 -11.086 -2.425 1.00 0.00 N ATOM 211 CA GLU A 19 5.887 -10.987 -1.268 1.00 0.00 C ATOM 212 C GLU A 19 5.763 -9.620 -0.604 1.00 0.00 C ATOM 213 O GLU A 19 6.061 -8.592 -1.213 1.00 0.00 O ATOM 214 CB GLU A 19 7.339 -11.234 -1.686 1.00 0.00 C ATOM 215 CG GLU A 19 8.240 -11.648 -0.533 1.00 0.00 C ATOM 216 CD GLU A 19 8.918 -12.983 -0.772 1.00 0.00 C ATOM 217 OE1 GLU A 19 8.241 -14.025 -0.641 1.00 0.00 O ATOM 218 OE2 GLU A 19 10.126 -12.988 -1.090 1.00 0.00 O ATOM 0 H GLU A 19 5.488 -11.126 -3.322 1.00 0.00 H new ATOM 0 HA GLU A 19 5.588 -11.749 -0.548 1.00 0.00 H new ATOM 0 HB2 GLU A 19 7.362 -12.010 -2.451 1.00 0.00 H new ATOM 0 HB3 GLU A 19 7.737 -10.327 -2.140 1.00 0.00 H new ATOM 0 HG2 GLU A 19 9.000 -10.882 -0.377 1.00 0.00 H new ATOM 0 HG3 GLU A 19 7.650 -11.703 0.382 1.00 0.00 H new ATOM 225 N VAL A 20 5.321 -9.615 0.649 1.00 0.00 N ATOM 226 CA VAL A 20 5.156 -8.375 1.398 1.00 0.00 C ATOM 227 C VAL A 20 6.442 -8.006 2.138 1.00 0.00 C ATOM 228 O VAL A 20 6.849 -8.701 3.069 1.00 0.00 O ATOM 229 CB VAL A 20 4.007 -8.486 2.419 1.00 0.00 C ATOM 230 CG1 VAL A 20 3.722 -7.133 3.050 1.00 0.00 C ATOM 231 CG2 VAL A 20 2.759 -9.049 1.758 1.00 0.00 C ATOM 0 H VAL A 20 5.070 -10.457 1.168 1.00 0.00 H new ATOM 0 HA VAL A 20 4.917 -7.596 0.674 1.00 0.00 H new ATOM 0 HB VAL A 20 4.312 -9.172 3.209 1.00 0.00 H new ATOM 0 HG11 VAL A 20 2.908 -7.231 3.768 1.00 0.00 H new ATOM 0 HG12 VAL A 20 4.616 -6.774 3.561 1.00 0.00 H new ATOM 0 HG13 VAL A 20 3.438 -6.422 2.274 1.00 0.00 H new ATOM 0 HG21 VAL A 20 1.958 -9.120 2.494 1.00 0.00 H new ATOM 0 HG22 VAL A 20 2.449 -8.391 0.947 1.00 0.00 H new ATOM 0 HG23 VAL A 20 2.974 -10.040 1.359 1.00 0.00 H new ATOM 241 N PRO A 21 7.103 -6.903 1.737 1.00 0.00 N ATOM 242 CA PRO A 21 8.345 -6.455 2.375 1.00 0.00 C ATOM 243 C PRO A 21 8.214 -6.355 3.891 1.00 0.00 C ATOM 244 O PRO A 21 7.116 -6.458 4.437 1.00 0.00 O ATOM 245 CB PRO A 21 8.579 -5.071 1.766 1.00 0.00 C ATOM 246 CG PRO A 21 7.890 -5.118 0.447 1.00 0.00 C ATOM 247 CD PRO A 21 6.694 -6.010 0.636 1.00 0.00 C ATOM 0 HA PRO A 21 9.165 -7.153 2.206 1.00 0.00 H new ATOM 0 HB2 PRO A 21 8.168 -4.285 2.400 1.00 0.00 H new ATOM 0 HB3 PRO A 21 9.643 -4.864 1.650 1.00 0.00 H new ATOM 0 HG2 PRO A 21 7.586 -4.120 0.130 1.00 0.00 H new ATOM 0 HG3 PRO A 21 8.552 -5.511 -0.325 1.00 0.00 H new ATOM 0 HD2 PRO A 21 5.803 -5.438 0.893 1.00 0.00 H new ATOM 0 HD3 PRO A 21 6.463 -6.570 -0.270 1.00 0.00 H new ATOM 255 N GLU A 22 9.342 -6.156 4.565 1.00 0.00 N ATOM 256 CA GLU A 22 9.353 -6.043 6.019 1.00 0.00 C ATOM 257 C GLU A 22 9.014 -4.621 6.457 1.00 0.00 C ATOM 258 O GLU A 22 8.346 -4.415 7.469 1.00 0.00 O ATOM 259 CB GLU A 22 10.721 -6.451 6.573 1.00 0.00 C ATOM 260 CG GLU A 22 10.743 -7.849 7.168 1.00 0.00 C ATOM 261 CD GLU A 22 10.932 -8.927 6.119 1.00 0.00 C ATOM 262 OE1 GLU A 22 11.542 -8.633 5.068 1.00 0.00 O ATOM 263 OE2 GLU A 22 10.469 -10.065 6.345 1.00 0.00 O ATOM 0 H GLU A 22 10.260 -6.070 4.128 1.00 0.00 H new ATOM 0 HA GLU A 22 8.594 -6.716 6.417 1.00 0.00 H new ATOM 0 HB2 GLU A 22 11.459 -6.394 5.773 1.00 0.00 H new ATOM 0 HB3 GLU A 22 11.023 -5.735 7.337 1.00 0.00 H new ATOM 0 HG2 GLU A 22 11.547 -7.915 7.901 1.00 0.00 H new ATOM 0 HG3 GLU A 22 9.810 -8.027 7.702 1.00 0.00 H new ATOM 270 N TRP A 23 9.481 -3.643 5.687 1.00 0.00 N ATOM 271 CA TRP A 23 9.227 -2.241 5.995 1.00 0.00 C ATOM 272 C TRP A 23 7.751 -1.898 5.812 1.00 0.00 C ATOM 273 O TRP A 23 7.235 -0.980 6.450 1.00 0.00 O ATOM 274 CB TRP A 23 10.084 -1.339 5.105 1.00 0.00 C ATOM 275 CG TRP A 23 10.004 -1.690 3.651 1.00 0.00 C ATOM 276 CD1 TRP A 23 10.946 -2.349 2.914 1.00 0.00 C ATOM 277 CD2 TRP A 23 8.926 -1.398 2.755 1.00 0.00 C ATOM 278 NE1 TRP A 23 10.518 -2.486 1.616 1.00 0.00 N ATOM 279 CE2 TRP A 23 9.280 -1.911 1.493 1.00 0.00 C ATOM 280 CE3 TRP A 23 7.692 -0.755 2.897 1.00 0.00 C ATOM 281 CZ2 TRP A 23 8.448 -1.798 0.382 1.00 0.00 C ATOM 282 CZ3 TRP A 23 6.866 -0.645 1.795 1.00 0.00 C ATOM 283 CH2 TRP A 23 7.247 -1.164 0.551 1.00 0.00 C ATOM 0 H TRP A 23 10.037 -3.796 4.846 1.00 0.00 H new ATOM 0 HA TRP A 23 9.493 -2.073 7.039 1.00 0.00 H new ATOM 0 HB2 TRP A 23 9.770 -0.304 5.239 1.00 0.00 H new ATOM 0 HB3 TRP A 23 11.123 -1.401 5.430 1.00 0.00 H new ATOM 0 HD1 TRP A 23 11.890 -2.710 3.296 1.00 0.00 H new ATOM 0 HE1 TRP A 23 11.037 -2.942 0.866 1.00 0.00 H new ATOM 0 HE3 TRP A 23 7.390 -0.351 3.852 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 8.740 -2.196 -0.578 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 5.911 -0.151 1.894 1.00 0.00 H new ATOM 0 HH2 TRP A 23 6.579 -1.062 -0.292 1.00 0.00 H new ATOM 294 N LEU A 24 7.077 -2.639 4.939 1.00 0.00 N ATOM 295 CA LEU A 24 5.661 -2.411 4.675 1.00 0.00 C ATOM 296 C LEU A 24 4.812 -2.799 5.881 1.00 0.00 C ATOM 297 O LEU A 24 4.881 -3.929 6.364 1.00 0.00 O ATOM 298 CB LEU A 24 5.216 -3.207 3.446 1.00 0.00 C ATOM 299 CG LEU A 24 3.737 -3.064 3.083 1.00 0.00 C ATOM 300 CD1 LEU A 24 3.406 -1.617 2.751 1.00 0.00 C ATOM 301 CD2 LEU A 24 3.385 -3.974 1.916 1.00 0.00 C ATOM 0 H LEU A 24 7.488 -3.403 4.402 1.00 0.00 H new ATOM 0 HA LEU A 24 5.520 -1.348 4.482 1.00 0.00 H new ATOM 0 HB2 LEU A 24 5.816 -2.893 2.592 1.00 0.00 H new ATOM 0 HB3 LEU A 24 5.432 -4.262 3.617 1.00 0.00 H new ATOM 0 HG LEU A 24 3.140 -3.363 3.945 1.00 0.00 H new ATOM 0 HD11 LEU A 24 2.350 -1.535 2.495 1.00 0.00 H new ATOM 0 HD12 LEU A 24 3.620 -0.987 3.615 1.00 0.00 H new ATOM 0 HD13 LEU A 24 4.011 -1.290 1.905 1.00 0.00 H new ATOM 0 HD21 LEU A 24 2.329 -3.860 1.671 1.00 0.00 H new ATOM 0 HD22 LEU A 24 3.990 -3.705 1.050 1.00 0.00 H new ATOM 0 HD23 LEU A 24 3.584 -5.010 2.190 1.00 0.00 H new ATOM 313 N ARG A 25 4.012 -1.854 6.362 1.00 0.00 N ATOM 314 CA ARG A 25 3.148 -2.095 7.512 1.00 0.00 C ATOM 315 C ARG A 25 2.285 -0.871 7.808 1.00 0.00 C ATOM 316 O ARG A 25 2.512 0.207 7.260 1.00 0.00 O ATOM 317 CB ARG A 25 3.985 -2.453 8.741 1.00 0.00 C ATOM 318 CG ARG A 25 5.202 -1.562 8.930 1.00 0.00 C ATOM 319 CD ARG A 25 5.997 -1.959 10.163 1.00 0.00 C ATOM 320 NE ARG A 25 7.261 -1.233 10.257 1.00 0.00 N ATOM 321 CZ ARG A 25 7.366 0.018 10.700 1.00 0.00 C ATOM 322 NH1 ARG A 25 6.288 0.684 11.092 1.00 0.00 N ATOM 323 NH2 ARG A 25 8.555 0.604 10.752 1.00 0.00 N ATOM 0 H ARG A 25 3.944 -0.913 5.973 1.00 0.00 H new ATOM 0 HA ARG A 25 2.492 -2.932 7.273 1.00 0.00 H new ATOM 0 HB2 ARG A 25 3.357 -2.389 9.629 1.00 0.00 H new ATOM 0 HB3 ARG A 25 4.313 -3.489 8.657 1.00 0.00 H new ATOM 0 HG2 ARG A 25 5.840 -1.624 8.049 1.00 0.00 H new ATOM 0 HG3 ARG A 25 4.883 -0.523 9.020 1.00 0.00 H new ATOM 0 HD2 ARG A 25 5.402 -1.767 11.056 1.00 0.00 H new ATOM 0 HD3 ARG A 25 6.196 -3.030 10.137 1.00 0.00 H new ATOM 0 HE ARG A 25 8.113 -1.713 9.966 1.00 0.00 H new ATOM 0 HH11 ARG A 25 5.371 0.238 11.055 1.00 0.00 H new ATOM 0 HH12 ARG A 25 6.376 1.642 11.430 1.00 0.00 H new ATOM 0 HH21 ARG A 25 9.387 0.096 10.453 1.00 0.00 H new ATOM 0 HH22 ARG A 25 8.637 1.562 11.091 1.00 0.00 H new ATOM 337 N GLU A 26 1.296 -1.046 8.678 1.00 0.00 N ATOM 338 CA GLU A 26 0.398 0.043 9.046 1.00 0.00 C ATOM 339 C GLU A 26 1.179 1.227 9.610 1.00 0.00 C ATOM 340 O GLU A 26 2.059 1.058 10.453 1.00 0.00 O ATOM 341 CB GLU A 26 -0.630 -0.438 10.071 1.00 0.00 C ATOM 342 CG GLU A 26 -1.907 -0.975 9.444 1.00 0.00 C ATOM 343 CD GLU A 26 -2.725 -1.808 10.411 1.00 0.00 C ATOM 344 OE1 GLU A 26 -3.489 -1.219 11.204 1.00 0.00 O ATOM 345 OE2 GLU A 26 -2.602 -3.050 10.374 1.00 0.00 O ATOM 0 H GLU A 26 1.096 -1.932 9.142 1.00 0.00 H new ATOM 0 HA GLU A 26 -0.122 0.369 8.146 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -0.181 -1.218 10.686 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -0.881 0.388 10.737 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -2.511 -0.141 9.088 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -1.654 -1.580 8.573 1.00 0.00 H new ATOM 352 N GLY A 27 0.850 2.424 9.137 1.00 0.00 N ATOM 353 CA GLY A 27 1.530 3.619 9.604 1.00 0.00 C ATOM 354 C GLY A 27 2.878 3.816 8.938 1.00 0.00 C ATOM 355 O GLY A 27 3.817 4.316 9.557 1.00 0.00 O ATOM 0 H GLY A 27 0.125 2.589 8.439 1.00 0.00 H new ATOM 0 HA2 GLY A 27 0.902 4.489 9.412 1.00 0.00 H new ATOM 0 HA3 GLY A 27 1.667 3.557 10.684 1.00 0.00 H new ATOM 359 N GLU A 28 2.974 3.421 7.672 1.00 0.00 N ATOM 360 CA GLU A 28 4.216 3.557 6.921 1.00 0.00 C ATOM 361 C GLU A 28 3.980 4.297 5.608 1.00 0.00 C ATOM 362 O GLU A 28 3.115 3.919 4.817 1.00 0.00 O ATOM 363 CB GLU A 28 4.820 2.179 6.642 1.00 0.00 C ATOM 364 CG GLU A 28 6.339 2.180 6.592 1.00 0.00 C ATOM 365 CD GLU A 28 6.968 2.333 7.963 1.00 0.00 C ATOM 366 OE1 GLU A 28 6.704 3.357 8.627 1.00 0.00 O ATOM 367 OE2 GLU A 28 7.726 1.427 8.372 1.00 0.00 O ATOM 0 H GLU A 28 2.206 3.004 7.145 1.00 0.00 H new ATOM 0 HA GLU A 28 4.915 4.138 7.523 1.00 0.00 H new ATOM 0 HB2 GLU A 28 4.491 1.484 7.414 1.00 0.00 H new ATOM 0 HB3 GLU A 28 4.434 1.807 5.693 1.00 0.00 H new ATOM 0 HG2 GLU A 28 6.684 1.250 6.140 1.00 0.00 H new ATOM 0 HG3 GLU A 28 6.677 2.992 5.949 1.00 0.00 H new ATOM 374 N PHE A 29 4.754 5.353 5.383 1.00 0.00 N ATOM 375 CA PHE A 29 4.630 6.147 4.165 1.00 0.00 C ATOM 376 C PHE A 29 5.114 5.360 2.950 1.00 0.00 C ATOM 377 O PHE A 29 6.103 4.630 3.026 1.00 0.00 O ATOM 378 CB PHE A 29 5.424 7.449 4.298 1.00 0.00 C ATOM 379 CG PHE A 29 4.556 8.669 4.422 1.00 0.00 C ATOM 380 CD1 PHE A 29 3.925 8.967 5.619 1.00 0.00 C ATOM 381 CD2 PHE A 29 4.374 9.518 3.342 1.00 0.00 C ATOM 382 CE1 PHE A 29 3.128 10.090 5.737 1.00 0.00 C ATOM 383 CE2 PHE A 29 3.577 10.642 3.454 1.00 0.00 C ATOM 384 CZ PHE A 29 2.953 10.928 4.653 1.00 0.00 C ATOM 0 H PHE A 29 5.474 5.679 6.028 1.00 0.00 H new ATOM 0 HA PHE A 29 3.576 6.386 4.021 1.00 0.00 H new ATOM 0 HB2 PHE A 29 6.072 7.383 5.172 1.00 0.00 H new ATOM 0 HB3 PHE A 29 6.072 7.561 3.429 1.00 0.00 H new ATOM 0 HD1 PHE A 29 4.057 8.314 6.469 1.00 0.00 H new ATOM 0 HD2 PHE A 29 4.860 9.299 2.403 1.00 0.00 H new ATOM 0 HE1 PHE A 29 2.643 10.312 6.676 1.00 0.00 H new ATOM 0 HE2 PHE A 29 3.442 11.296 2.605 1.00 0.00 H new ATOM 0 HZ PHE A 29 2.329 11.805 4.743 1.00 0.00 H new ATOM 394 N VAL A 30 4.411 5.514 1.834 1.00 0.00 N ATOM 395 CA VAL A 30 4.770 4.818 0.603 1.00 0.00 C ATOM 396 C VAL A 30 4.201 5.534 -0.617 1.00 0.00 C ATOM 397 O VAL A 30 3.511 6.546 -0.491 1.00 0.00 O ATOM 398 CB VAL A 30 4.264 3.364 0.613 1.00 0.00 C ATOM 399 CG1 VAL A 30 5.074 2.523 1.587 1.00 0.00 C ATOM 400 CG2 VAL A 30 2.784 3.316 0.958 1.00 0.00 C ATOM 0 H VAL A 30 3.590 6.114 1.756 1.00 0.00 H new ATOM 0 HA VAL A 30 5.858 4.815 0.545 1.00 0.00 H new ATOM 0 HB VAL A 30 4.394 2.947 -0.386 1.00 0.00 H new ATOM 0 HG11 VAL A 30 4.702 1.499 1.580 1.00 0.00 H new ATOM 0 HG12 VAL A 30 6.122 2.530 1.289 1.00 0.00 H new ATOM 0 HG13 VAL A 30 4.979 2.937 2.591 1.00 0.00 H new ATOM 0 HG21 VAL A 30 2.444 2.280 0.960 1.00 0.00 H new ATOM 0 HG22 VAL A 30 2.626 3.752 1.945 1.00 0.00 H new ATOM 0 HG23 VAL A 30 2.219 3.881 0.217 1.00 0.00 H new ATOM 410 N THR A 31 4.494 5.002 -1.798 1.00 0.00 N ATOM 411 CA THR A 31 4.012 5.590 -3.043 1.00 0.00 C ATOM 412 C THR A 31 3.508 4.509 -3.995 1.00 0.00 C ATOM 413 O THR A 31 3.847 3.334 -3.851 1.00 0.00 O ATOM 414 CB THR A 31 5.121 6.400 -3.713 1.00 0.00 C ATOM 415 OG1 THR A 31 4.640 7.036 -4.884 1.00 0.00 O ATOM 416 CG2 THR A 31 6.320 5.563 -4.106 1.00 0.00 C ATOM 0 H THR A 31 5.063 4.164 -1.920 1.00 0.00 H new ATOM 0 HA THR A 31 3.182 6.255 -2.804 1.00 0.00 H new ATOM 0 HB THR A 31 5.436 7.130 -2.967 1.00 0.00 H new ATOM 0 HG1 THR A 31 5.364 7.551 -5.298 1.00 0.00 H new ATOM 0 HG21 THR A 31 7.070 6.199 -4.576 1.00 0.00 H new ATOM 0 HG22 THR A 31 6.745 5.097 -3.217 1.00 0.00 H new ATOM 0 HG23 THR A 31 6.009 4.789 -4.808 1.00 0.00 H new ATOM 424 N VAL A 32 2.698 4.914 -4.966 1.00 0.00 N ATOM 425 CA VAL A 32 2.148 3.981 -5.942 1.00 0.00 C ATOM 426 C VAL A 32 3.034 3.894 -7.180 1.00 0.00 C ATOM 427 O VAL A 32 3.402 2.803 -7.617 1.00 0.00 O ATOM 428 CB VAL A 32 0.725 4.389 -6.370 1.00 0.00 C ATOM 429 CG1 VAL A 32 0.094 3.303 -7.229 1.00 0.00 C ATOM 430 CG2 VAL A 32 -0.135 4.683 -5.151 1.00 0.00 C ATOM 0 H VAL A 32 2.407 5.883 -5.099 1.00 0.00 H new ATOM 0 HA VAL A 32 2.108 3.005 -5.458 1.00 0.00 H new ATOM 0 HB VAL A 32 0.791 5.299 -6.967 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -0.910 3.608 -7.522 1.00 0.00 H new ATOM 0 HG12 VAL A 32 0.700 3.147 -8.121 1.00 0.00 H new ATOM 0 HG13 VAL A 32 0.040 2.375 -6.660 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -1.136 4.969 -5.473 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -0.196 3.793 -4.525 1.00 0.00 H new ATOM 0 HG23 VAL A 32 0.310 5.498 -4.580 1.00 0.00 H new ATOM 440 N GLY A 33 3.373 5.050 -7.741 1.00 0.00 N ATOM 441 CA GLY A 33 4.214 5.082 -8.924 1.00 0.00 C ATOM 442 C GLY A 33 3.973 6.314 -9.773 1.00 0.00 C ATOM 443 O GLY A 33 3.252 6.258 -10.769 1.00 0.00 O ATOM 0 H GLY A 33 3.081 5.965 -7.398 1.00 0.00 H new ATOM 0 HA2 GLY A 33 5.261 5.051 -8.623 1.00 0.00 H new ATOM 0 HA3 GLY A 33 4.028 4.190 -9.522 1.00 0.00 H new ATOM 447 N ALA A 34 4.577 7.429 -9.378 1.00 0.00 N ATOM 448 CA ALA A 34 4.424 8.681 -10.110 1.00 0.00 C ATOM 449 C ALA A 34 2.963 9.112 -10.161 1.00 0.00 C ATOM 450 O ALA A 34 2.525 9.743 -11.123 1.00 0.00 O ATOM 451 CB ALA A 34 4.985 8.541 -11.517 1.00 0.00 C ATOM 0 H ALA A 34 5.177 7.492 -8.555 1.00 0.00 H new ATOM 0 HA ALA A 34 4.984 9.453 -9.582 1.00 0.00 H new ATOM 0 HB1 ALA A 34 4.864 9.483 -12.052 1.00 0.00 H new ATOM 0 HB2 ALA A 34 6.044 8.287 -11.463 1.00 0.00 H new ATOM 0 HB3 ALA A 34 4.450 7.752 -12.045 1.00 0.00 H new ATOM 457 N HIS A 35 2.212 8.766 -9.120 1.00 0.00 N ATOM 458 CA HIS A 35 0.799 9.118 -9.047 1.00 0.00 C ATOM 459 C HIS A 35 0.503 9.928 -7.789 1.00 0.00 C ATOM 460 O HIS A 35 0.223 11.125 -7.860 1.00 0.00 O ATOM 461 CB HIS A 35 -0.063 7.856 -9.070 1.00 0.00 C ATOM 462 CG HIS A 35 -0.065 7.157 -10.393 1.00 0.00 C ATOM 463 ND1 HIS A 35 -0.349 7.777 -11.590 1.00 0.00 N ATOM 464 CD2 HIS A 35 0.194 5.859 -10.697 1.00 0.00 C ATOM 465 CE1 HIS A 35 -0.257 6.859 -12.561 1.00 0.00 C ATOM 466 NE2 HIS A 35 0.071 5.678 -12.072 1.00 0.00 N ATOM 0 H HIS A 35 2.559 8.243 -8.316 1.00 0.00 H new ATOM 0 HA HIS A 35 0.558 9.731 -9.916 1.00 0.00 H new ATOM 0 HB2 HIS A 35 0.295 7.167 -8.305 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -1.087 8.120 -8.806 1.00 0.00 H new ATOM 0 HD2 HIS A 35 0.454 5.089 -9.985 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -0.429 7.059 -13.608 1.00 0.00 H new ATOM 0 HE2 HIS A 35 0.206 4.812 -12.593 1.00 0.00 H new ATOM 474 N LYS A 36 0.567 9.267 -6.637 1.00 0.00 N ATOM 475 CA LYS A 36 0.305 9.927 -5.363 1.00 0.00 C ATOM 476 C LYS A 36 0.821 9.085 -4.198 1.00 0.00 C ATOM 477 O LYS A 36 0.809 7.855 -4.256 1.00 0.00 O ATOM 478 CB LYS A 36 -1.195 10.190 -5.199 1.00 0.00 C ATOM 479 CG LYS A 36 -1.545 11.667 -5.109 1.00 0.00 C ATOM 480 CD LYS A 36 -2.669 12.035 -6.065 1.00 0.00 C ATOM 481 CE LYS A 36 -2.441 13.399 -6.695 1.00 0.00 C ATOM 482 NZ LYS A 36 -3.697 13.971 -7.253 1.00 0.00 N ATOM 0 H LYS A 36 0.798 8.276 -6.560 1.00 0.00 H new ATOM 0 HA LYS A 36 0.834 10.880 -5.359 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -1.727 9.749 -6.042 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -1.548 9.685 -4.300 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -1.840 11.910 -4.088 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -0.663 12.265 -5.336 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -2.744 11.280 -6.847 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -3.618 12.035 -5.529 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -2.033 14.080 -5.948 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -1.698 13.313 -7.488 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -3.498 14.901 -7.673 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -4.074 13.334 -7.984 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -4.398 14.078 -6.492 1.00 0.00 H new ATOM 496 N THR A 37 1.272 9.757 -3.144 1.00 0.00 N ATOM 497 CA THR A 37 1.792 9.072 -1.967 1.00 0.00 C ATOM 498 C THR A 37 0.699 8.890 -0.917 1.00 0.00 C ATOM 499 O THR A 37 -0.202 9.718 -0.795 1.00 0.00 O ATOM 500 CB THR A 37 2.962 9.855 -1.370 1.00 0.00 C ATOM 501 OG1 THR A 37 2.575 11.183 -1.068 1.00 0.00 O ATOM 502 CG2 THR A 37 4.164 9.924 -2.288 1.00 0.00 C ATOM 0 H THR A 37 1.288 10.775 -3.081 1.00 0.00 H new ATOM 0 HA THR A 37 2.143 8.087 -2.276 1.00 0.00 H new ATOM 0 HB THR A 37 3.244 9.312 -0.468 1.00 0.00 H new ATOM 0 HG1 THR A 37 3.337 11.667 -0.686 1.00 0.00 H new ATOM 0 HG21 THR A 37 4.958 10.493 -1.805 1.00 0.00 H new ATOM 0 HG22 THR A 37 4.518 8.915 -2.501 1.00 0.00 H new ATOM 0 HG23 THR A 37 3.882 10.414 -3.220 1.00 0.00 H new ATOM 510 N GLY A 38 0.788 7.800 -0.162 1.00 0.00 N ATOM 511 CA GLY A 38 -0.199 7.529 0.867 1.00 0.00 C ATOM 512 C GLY A 38 0.329 6.605 1.947 1.00 0.00 C ATOM 513 O GLY A 38 1.269 5.845 1.718 1.00 0.00 O ATOM 0 H GLY A 38 1.525 7.100 -0.244 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -0.515 8.469 1.320 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -1.082 7.082 0.411 1.00 0.00 H new ATOM 517 N VAL A 39 -0.277 6.672 3.128 1.00 0.00 N ATOM 518 CA VAL A 39 0.138 5.836 4.248 1.00 0.00 C ATOM 519 C VAL A 39 -0.612 4.508 4.249 1.00 0.00 C ATOM 520 O VAL A 39 -1.750 4.425 3.784 1.00 0.00 O ATOM 521 CB VAL A 39 -0.094 6.545 5.597 1.00 0.00 C ATOM 522 CG1 VAL A 39 0.481 5.724 6.740 1.00 0.00 C ATOM 523 CG2 VAL A 39 0.510 7.942 5.579 1.00 0.00 C ATOM 0 H VAL A 39 -1.057 7.296 3.334 1.00 0.00 H new ATOM 0 HA VAL A 39 1.205 5.649 4.124 1.00 0.00 H new ATOM 0 HB VAL A 39 -1.168 6.640 5.754 1.00 0.00 H new ATOM 0 HG11 VAL A 39 0.307 6.242 7.683 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -0.004 4.748 6.767 1.00 0.00 H new ATOM 0 HG13 VAL A 39 1.553 5.593 6.591 1.00 0.00 H new ATOM 0 HG21 VAL A 39 0.336 8.426 6.540 1.00 0.00 H new ATOM 0 HG22 VAL A 39 1.582 7.872 5.397 1.00 0.00 H new ATOM 0 HG23 VAL A 39 0.045 8.529 4.787 1.00 0.00 H new ATOM 533 N VAL A 40 0.033 3.471 4.772 1.00 0.00 N ATOM 534 CA VAL A 40 -0.574 2.146 4.833 1.00 0.00 C ATOM 535 C VAL A 40 -1.628 2.074 5.933 1.00 0.00 C ATOM 536 O VAL A 40 -1.314 2.199 7.117 1.00 0.00 O ATOM 537 CB VAL A 40 0.485 1.055 5.083 1.00 0.00 C ATOM 538 CG1 VAL A 40 -0.136 -0.329 4.970 1.00 0.00 C ATOM 539 CG2 VAL A 40 1.647 1.206 4.112 1.00 0.00 C ATOM 0 H VAL A 40 0.975 3.522 5.160 1.00 0.00 H new ATOM 0 HA VAL A 40 -1.047 1.970 3.867 1.00 0.00 H new ATOM 0 HB VAL A 40 0.869 1.174 6.096 1.00 0.00 H new ATOM 0 HG11 VAL A 40 0.627 -1.086 5.150 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -0.931 -0.433 5.709 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -0.550 -0.461 3.970 1.00 0.00 H new ATOM 0 HG21 VAL A 40 2.385 0.427 4.304 1.00 0.00 H new ATOM 0 HG22 VAL A 40 1.281 1.115 3.089 1.00 0.00 H new ATOM 0 HG23 VAL A 40 2.109 2.184 4.247 1.00 0.00 H new ATOM 549 N ARG A 41 -2.879 1.874 5.532 1.00 0.00 N ATOM 550 CA ARG A 41 -3.981 1.785 6.484 1.00 0.00 C ATOM 551 C ARG A 41 -4.351 0.330 6.755 1.00 0.00 C ATOM 552 O ARG A 41 -4.766 -0.021 7.859 1.00 0.00 O ATOM 553 CB ARG A 41 -5.202 2.541 5.955 1.00 0.00 C ATOM 554 CG ARG A 41 -5.066 4.052 6.040 1.00 0.00 C ATOM 555 CD ARG A 41 -5.322 4.555 7.451 1.00 0.00 C ATOM 556 NE ARG A 41 -6.017 5.841 7.457 1.00 0.00 N ATOM 557 CZ ARG A 41 -6.688 6.317 8.502 1.00 0.00 C ATOM 558 NH1 ARG A 41 -6.757 5.620 9.631 1.00 0.00 N ATOM 559 NH2 ARG A 41 -7.292 7.495 8.422 1.00 0.00 N ATOM 0 H ARG A 41 -3.155 1.771 4.556 1.00 0.00 H new ATOM 0 HA ARG A 41 -3.656 2.240 7.420 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -5.372 2.258 4.916 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -6.082 2.232 6.518 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -4.066 4.347 5.723 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -5.769 4.521 5.352 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -5.915 3.820 7.996 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -4.373 4.653 7.978 1.00 0.00 H new ATOM 0 HE ARG A 41 -5.985 6.407 6.609 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -6.294 4.714 9.700 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -7.273 5.991 10.429 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -7.242 8.036 7.559 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -7.807 7.860 9.224 1.00 0.00 H new ATOM 573 N TYR A 42 -4.199 -0.512 5.738 1.00 0.00 N ATOM 574 CA TYR A 42 -4.519 -1.929 5.865 1.00 0.00 C ATOM 575 C TYR A 42 -3.453 -2.790 5.196 1.00 0.00 C ATOM 576 O TYR A 42 -2.844 -2.385 4.205 1.00 0.00 O ATOM 577 CB TYR A 42 -5.887 -2.221 5.247 1.00 0.00 C ATOM 578 CG TYR A 42 -6.339 -3.654 5.421 1.00 0.00 C ATOM 579 CD1 TYR A 42 -6.950 -4.072 6.596 1.00 0.00 C ATOM 580 CD2 TYR A 42 -6.155 -4.588 4.410 1.00 0.00 C ATOM 581 CE1 TYR A 42 -7.364 -5.380 6.760 1.00 0.00 C ATOM 582 CE2 TYR A 42 -6.567 -5.898 4.565 1.00 0.00 C ATOM 583 CZ TYR A 42 -7.171 -6.289 5.741 1.00 0.00 C ATOM 584 OH TYR A 42 -7.582 -7.592 5.899 1.00 0.00 O ATOM 0 H TYR A 42 -3.856 -0.238 4.817 1.00 0.00 H new ATOM 0 HA TYR A 42 -4.546 -2.176 6.926 1.00 0.00 H new ATOM 0 HB2 TYR A 42 -6.627 -1.559 5.696 1.00 0.00 H new ATOM 0 HB3 TYR A 42 -5.853 -1.987 4.183 1.00 0.00 H new ATOM 0 HD1 TYR A 42 -7.104 -3.362 7.395 1.00 0.00 H new ATOM 0 HD2 TYR A 42 -5.682 -4.286 3.487 1.00 0.00 H new ATOM 0 HE1 TYR A 42 -7.836 -5.689 7.681 1.00 0.00 H new ATOM 0 HE2 TYR A 42 -6.417 -6.612 3.769 1.00 0.00 H new ATOM 0 HH TYR A 42 -7.373 -8.101 5.088 1.00 0.00 H new ATOM 594 N VAL A 43 -3.232 -3.981 5.743 1.00 0.00 N ATOM 595 CA VAL A 43 -2.240 -4.900 5.200 1.00 0.00 C ATOM 596 C VAL A 43 -2.668 -6.351 5.400 1.00 0.00 C ATOM 597 O VAL A 43 -2.580 -6.887 6.504 1.00 0.00 O ATOM 598 CB VAL A 43 -0.861 -4.690 5.851 1.00 0.00 C ATOM 599 CG1 VAL A 43 0.199 -5.513 5.137 1.00 0.00 C ATOM 600 CG2 VAL A 43 -0.491 -3.214 5.852 1.00 0.00 C ATOM 0 H VAL A 43 -3.727 -4.332 6.563 1.00 0.00 H new ATOM 0 HA VAL A 43 -2.165 -4.688 4.133 1.00 0.00 H new ATOM 0 HB VAL A 43 -0.913 -5.029 6.886 1.00 0.00 H new ATOM 0 HG11 VAL A 43 1.167 -5.351 5.612 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -0.061 -6.570 5.195 1.00 0.00 H new ATOM 0 HG13 VAL A 43 0.253 -5.209 4.092 1.00 0.00 H new ATOM 0 HG21 VAL A 43 0.487 -3.084 6.316 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -0.458 -2.847 4.826 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -1.237 -2.652 6.414 1.00 0.00 H new ATOM 610 N GLY A 44 -3.130 -6.980 4.324 1.00 0.00 N ATOM 611 CA GLY A 44 -3.564 -8.362 4.402 1.00 0.00 C ATOM 612 C GLY A 44 -4.421 -8.770 3.218 1.00 0.00 C ATOM 613 O GLY A 44 -5.038 -7.921 2.576 1.00 0.00 O ATOM 0 H GLY A 44 -3.211 -6.557 3.399 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -2.690 -9.011 4.455 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -4.128 -8.511 5.323 1.00 0.00 H new ATOM 617 N PRO A 45 -4.479 -10.075 2.902 1.00 0.00 N ATOM 618 CA PRO A 45 -5.274 -10.581 1.778 1.00 0.00 C ATOM 619 C PRO A 45 -6.724 -10.112 1.839 1.00 0.00 C ATOM 620 O PRO A 45 -7.134 -9.449 2.792 1.00 0.00 O ATOM 621 CB PRO A 45 -5.197 -12.100 1.942 1.00 0.00 C ATOM 622 CG PRO A 45 -3.936 -12.338 2.698 1.00 0.00 C ATOM 623 CD PRO A 45 -3.774 -11.157 3.614 1.00 0.00 C ATOM 0 HA PRO A 45 -4.898 -10.224 0.819 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -6.061 -12.484 2.484 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -5.179 -12.602 0.975 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -3.990 -13.267 3.265 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -3.086 -12.427 2.021 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -4.212 -11.345 4.594 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -2.724 -10.914 3.775 1.00 0.00 H new ATOM 631 N ALA A 46 -7.496 -10.459 0.814 1.00 0.00 N ATOM 632 CA ALA A 46 -8.900 -10.074 0.750 1.00 0.00 C ATOM 633 C ALA A 46 -9.786 -11.276 0.440 1.00 0.00 C ATOM 634 O ALA A 46 -9.299 -12.397 0.291 1.00 0.00 O ATOM 635 CB ALA A 46 -9.101 -8.985 -0.294 1.00 0.00 C ATOM 0 H ALA A 46 -7.172 -11.006 0.017 1.00 0.00 H new ATOM 0 HA ALA A 46 -9.189 -9.685 1.726 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -10.154 -8.707 -0.331 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -8.504 -8.112 -0.029 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -8.789 -9.355 -1.271 1.00 0.00 H new ATOM 641 N ASP A 47 -11.090 -11.034 0.345 1.00 0.00 N ATOM 642 CA ASP A 47 -12.044 -12.098 0.052 1.00 0.00 C ATOM 643 C ASP A 47 -12.489 -12.044 -1.406 1.00 0.00 C ATOM 644 O ASP A 47 -12.784 -13.073 -2.013 1.00 0.00 O ATOM 645 CB ASP A 47 -13.261 -11.986 0.972 1.00 0.00 C ATOM 646 CG ASP A 47 -12.978 -12.503 2.370 1.00 0.00 C ATOM 647 OD1 ASP A 47 -11.982 -12.058 2.977 1.00 0.00 O ATOM 648 OD2 ASP A 47 -13.752 -13.354 2.857 1.00 0.00 O ATOM 0 H ASP A 47 -11.509 -10.112 0.466 1.00 0.00 H new ATOM 0 HA ASP A 47 -11.550 -13.054 0.227 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -13.575 -10.944 1.030 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -14.091 -12.546 0.542 1.00 0.00 H new ATOM 653 N PHE A 48 -12.532 -10.838 -1.962 1.00 0.00 N ATOM 654 CA PHE A 48 -12.941 -10.649 -3.349 1.00 0.00 C ATOM 655 C PHE A 48 -11.836 -11.087 -4.305 1.00 0.00 C ATOM 656 O PHE A 48 -12.107 -11.557 -5.410 1.00 0.00 O ATOM 657 CB PHE A 48 -13.300 -9.184 -3.603 1.00 0.00 C ATOM 658 CG PHE A 48 -12.155 -8.238 -3.379 1.00 0.00 C ATOM 659 CD1 PHE A 48 -11.934 -7.681 -2.129 1.00 0.00 C ATOM 660 CD2 PHE A 48 -11.300 -7.906 -4.418 1.00 0.00 C ATOM 661 CE1 PHE A 48 -10.881 -6.811 -1.920 1.00 0.00 C ATOM 662 CE2 PHE A 48 -10.246 -7.035 -4.214 1.00 0.00 C ATOM 663 CZ PHE A 48 -10.036 -6.487 -2.963 1.00 0.00 C ATOM 0 H PHE A 48 -12.289 -9.976 -1.473 1.00 0.00 H new ATOM 0 HA PHE A 48 -13.821 -11.267 -3.530 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -13.653 -9.078 -4.629 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -14.126 -8.902 -2.950 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -12.592 -7.930 -1.310 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -11.459 -8.332 -5.398 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -10.719 -6.385 -0.941 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -9.587 -6.783 -5.032 1.00 0.00 H new ATOM 0 HZ PHE A 48 -9.213 -5.807 -2.801 1.00 0.00 H new ATOM 673 N GLN A 49 -10.590 -10.930 -3.872 1.00 0.00 N ATOM 674 CA GLN A 49 -9.443 -11.309 -4.690 1.00 0.00 C ATOM 675 C GLN A 49 -8.468 -12.169 -3.893 1.00 0.00 C ATOM 676 O GLN A 49 -8.667 -12.412 -2.703 1.00 0.00 O ATOM 677 CB GLN A 49 -8.730 -10.062 -5.215 1.00 0.00 C ATOM 678 CG GLN A 49 -9.406 -9.439 -6.426 1.00 0.00 C ATOM 679 CD GLN A 49 -8.564 -9.544 -7.684 1.00 0.00 C ATOM 680 OE1 GLN A 49 -8.031 -8.548 -8.173 1.00 0.00 O ATOM 681 NE2 GLN A 49 -8.440 -10.756 -8.212 1.00 0.00 N ATOM 0 H GLN A 49 -10.348 -10.543 -2.960 1.00 0.00 H new ATOM 0 HA GLN A 49 -9.808 -11.893 -5.535 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -8.677 -9.321 -4.417 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -7.704 -10.323 -5.476 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -10.365 -9.929 -6.594 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -9.616 -8.389 -6.220 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -8.900 -11.553 -7.772 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -7.885 -10.890 -9.057 1.00 0.00 H new ATOM 690 N GLU A 50 -7.412 -12.629 -4.558 1.00 0.00 N ATOM 691 CA GLU A 50 -6.405 -13.462 -3.912 1.00 0.00 C ATOM 692 C GLU A 50 -5.144 -12.658 -3.610 1.00 0.00 C ATOM 693 O GLU A 50 -5.048 -11.482 -3.960 1.00 0.00 O ATOM 694 CB GLU A 50 -6.060 -14.660 -4.798 1.00 0.00 C ATOM 695 CG GLU A 50 -5.783 -15.935 -4.018 1.00 0.00 C ATOM 696 CD GLU A 50 -6.685 -17.081 -4.431 1.00 0.00 C ATOM 697 OE1 GLU A 50 -7.900 -17.014 -4.144 1.00 0.00 O ATOM 698 OE2 GLU A 50 -6.178 -18.047 -5.039 1.00 0.00 O ATOM 0 H GLU A 50 -7.232 -12.438 -5.544 1.00 0.00 H new ATOM 0 HA GLU A 50 -6.818 -13.822 -2.970 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -6.883 -14.839 -5.489 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -5.185 -14.415 -5.401 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -4.743 -16.226 -4.163 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -5.914 -15.741 -2.953 1.00 0.00 H new ATOM 705 N GLY A 51 -4.179 -13.301 -2.961 1.00 0.00 N ATOM 706 CA GLY A 51 -2.938 -12.631 -2.623 1.00 0.00 C ATOM 707 C GLY A 51 -3.107 -11.624 -1.503 1.00 0.00 C ATOM 708 O GLY A 51 -4.217 -11.406 -1.018 1.00 0.00 O ATOM 0 H GLY A 51 -4.235 -14.275 -2.663 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -2.196 -13.374 -2.330 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -2.550 -12.125 -3.507 1.00 0.00 H new ATOM 712 N THR A 52 -2.003 -11.010 -1.091 1.00 0.00 N ATOM 713 CA THR A 52 -2.034 -10.020 -0.020 1.00 0.00 C ATOM 714 C THR A 52 -2.256 -8.619 -0.578 1.00 0.00 C ATOM 715 O THR A 52 -1.646 -8.234 -1.577 1.00 0.00 O ATOM 716 CB THR A 52 -0.730 -10.062 0.779 1.00 0.00 C ATOM 717 OG1 THR A 52 -0.146 -11.351 0.720 1.00 0.00 O ATOM 718 CG2 THR A 52 -0.910 -9.706 2.238 1.00 0.00 C ATOM 0 H THR A 52 -1.076 -11.180 -1.482 1.00 0.00 H new ATOM 0 HA THR A 52 -2.866 -10.263 0.641 1.00 0.00 H new ATOM 0 HB THR A 52 -0.085 -9.315 0.317 1.00 0.00 H new ATOM 0 HG1 THR A 52 0.687 -11.356 1.236 1.00 0.00 H new ATOM 0 HG21 THR A 52 0.053 -9.755 2.746 1.00 0.00 H new ATOM 0 HG22 THR A 52 -1.312 -8.696 2.319 1.00 0.00 H new ATOM 0 HG23 THR A 52 -1.601 -10.410 2.702 1.00 0.00 H new ATOM 726 N TRP A 53 -3.132 -7.860 0.072 1.00 0.00 N ATOM 727 CA TRP A 53 -3.435 -6.500 -0.360 1.00 0.00 C ATOM 728 C TRP A 53 -2.982 -5.485 0.685 1.00 0.00 C ATOM 729 O TRP A 53 -2.843 -5.812 1.864 1.00 0.00 O ATOM 730 CB TRP A 53 -4.935 -6.348 -0.619 1.00 0.00 C ATOM 731 CG TRP A 53 -5.409 -7.101 -1.825 1.00 0.00 C ATOM 732 CD1 TRP A 53 -5.684 -8.435 -1.903 1.00 0.00 C ATOM 733 CD2 TRP A 53 -5.663 -6.562 -3.127 1.00 0.00 C ATOM 734 NE1 TRP A 53 -6.094 -8.760 -3.174 1.00 0.00 N ATOM 735 CE2 TRP A 53 -6.090 -7.627 -3.944 1.00 0.00 C ATOM 736 CE3 TRP A 53 -5.573 -5.282 -3.682 1.00 0.00 C ATOM 737 CZ2 TRP A 53 -6.424 -7.450 -5.284 1.00 0.00 C ATOM 738 CZ3 TRP A 53 -5.905 -5.108 -5.013 1.00 0.00 C ATOM 739 CH2 TRP A 53 -6.326 -6.187 -5.800 1.00 0.00 C ATOM 0 H TRP A 53 -3.645 -8.163 0.900 1.00 0.00 H new ATOM 0 HA TRP A 53 -2.892 -6.309 -1.286 1.00 0.00 H new ATOM 0 HB2 TRP A 53 -5.484 -6.695 0.256 1.00 0.00 H new ATOM 0 HB3 TRP A 53 -5.169 -5.291 -0.744 1.00 0.00 H new ATOM 0 HD1 TRP A 53 -5.593 -9.134 -1.085 1.00 0.00 H new ATOM 0 HE1 TRP A 53 -6.358 -9.692 -3.492 1.00 0.00 H new ATOM 0 HE3 TRP A 53 -5.250 -4.444 -3.082 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 -6.749 -8.280 -5.894 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 -5.839 -4.124 -5.453 1.00 0.00 H new ATOM 0 HH2 TRP A 53 -6.579 -6.018 -6.836 1.00 0.00 H new ATOM 750 N VAL A 54 -2.754 -4.251 0.245 1.00 0.00 N ATOM 751 CA VAL A 54 -2.317 -3.189 1.143 1.00 0.00 C ATOM 752 C VAL A 54 -3.080 -1.897 0.876 1.00 0.00 C ATOM 753 O VAL A 54 -2.990 -1.323 -0.209 1.00 0.00 O ATOM 754 CB VAL A 54 -0.807 -2.919 1.002 1.00 0.00 C ATOM 755 CG1 VAL A 54 -0.333 -1.954 2.078 1.00 0.00 C ATOM 756 CG2 VAL A 54 -0.024 -4.222 1.061 1.00 0.00 C ATOM 0 H VAL A 54 -2.865 -3.963 -0.727 1.00 0.00 H new ATOM 0 HA VAL A 54 -2.524 -3.528 2.158 1.00 0.00 H new ATOM 0 HB VAL A 54 -0.628 -2.458 0.030 1.00 0.00 H new ATOM 0 HG11 VAL A 54 0.736 -1.776 1.962 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -0.871 -1.011 1.983 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -0.524 -2.383 3.062 1.00 0.00 H new ATOM 0 HG21 VAL A 54 1.041 -4.012 0.960 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -0.207 -4.714 2.016 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -0.343 -4.876 0.249 1.00 0.00 H new ATOM 766 N GLY A 55 -3.832 -1.443 1.874 1.00 0.00 N ATOM 767 CA GLY A 55 -4.600 -0.221 1.728 1.00 0.00 C ATOM 768 C GLY A 55 -3.763 1.022 1.960 1.00 0.00 C ATOM 769 O GLY A 55 -3.129 1.166 3.005 1.00 0.00 O ATOM 0 H GLY A 55 -3.923 -1.900 2.781 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -5.031 -0.184 0.727 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -5.432 -0.232 2.433 1.00 0.00 H new ATOM 773 N VAL A 56 -3.761 1.922 0.981 1.00 0.00 N ATOM 774 CA VAL A 56 -2.996 3.159 1.083 1.00 0.00 C ATOM 775 C VAL A 56 -3.920 4.369 1.163 1.00 0.00 C ATOM 776 O VAL A 56 -4.849 4.508 0.368 1.00 0.00 O ATOM 777 CB VAL A 56 -2.046 3.333 -0.116 1.00 0.00 C ATOM 778 CG1 VAL A 56 -1.117 4.517 0.105 1.00 0.00 C ATOM 779 CG2 VAL A 56 -1.250 2.059 -0.356 1.00 0.00 C ATOM 0 H VAL A 56 -4.280 1.817 0.109 1.00 0.00 H new ATOM 0 HA VAL A 56 -2.406 3.092 1.997 1.00 0.00 H new ATOM 0 HB VAL A 56 -2.645 3.532 -1.004 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -0.453 4.624 -0.753 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -1.707 5.426 0.222 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -0.524 4.351 1.004 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -0.584 2.201 -1.207 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -0.661 1.826 0.531 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -1.934 1.236 -0.564 1.00 0.00 H new ATOM 789 N GLU A 57 -3.659 5.243 2.129 1.00 0.00 N ATOM 790 CA GLU A 57 -4.468 6.443 2.312 1.00 0.00 C ATOM 791 C GLU A 57 -3.838 7.639 1.605 1.00 0.00 C ATOM 792 O GLU A 57 -2.884 8.234 2.103 1.00 0.00 O ATOM 793 CB GLU A 57 -4.638 6.748 3.802 1.00 0.00 C ATOM 794 CG GLU A 57 -5.845 7.617 4.111 1.00 0.00 C ATOM 795 CD GLU A 57 -5.517 8.757 5.057 1.00 0.00 C ATOM 796 OE1 GLU A 57 -4.671 8.559 5.954 1.00 0.00 O ATOM 797 OE2 GLU A 57 -6.107 9.847 4.901 1.00 0.00 O ATOM 0 H GLU A 57 -2.894 5.143 2.797 1.00 0.00 H new ATOM 0 HA GLU A 57 -5.448 6.259 1.872 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -4.727 5.809 4.349 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -3.740 7.245 4.167 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -6.242 8.024 3.181 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -6.629 7.000 4.550 1.00 0.00 H new ATOM 804 N LEU A 58 -4.380 7.983 0.441 1.00 0.00 N ATOM 805 CA LEU A 58 -3.870 9.108 -0.335 1.00 0.00 C ATOM 806 C LEU A 58 -4.423 10.427 0.194 1.00 0.00 C ATOM 807 O LEU A 58 -5.616 10.547 0.468 1.00 0.00 O ATOM 808 CB LEU A 58 -4.235 8.944 -1.812 1.00 0.00 C ATOM 809 CG LEU A 58 -3.842 7.602 -2.431 1.00 0.00 C ATOM 810 CD1 LEU A 58 -4.376 7.492 -3.851 1.00 0.00 C ATOM 811 CD2 LEU A 58 -2.330 7.431 -2.414 1.00 0.00 C ATOM 0 H LEU A 58 -5.171 7.500 0.015 1.00 0.00 H new ATOM 0 HA LEU A 58 -2.785 9.123 -0.236 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -5.311 9.076 -1.921 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -3.757 9.742 -2.379 1.00 0.00 H new ATOM 0 HG LEU A 58 -4.286 6.804 -1.835 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -4.086 6.531 -4.275 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -5.463 7.570 -3.838 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -3.962 8.296 -4.459 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -2.067 6.471 -2.858 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -1.867 8.234 -2.986 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -1.972 7.465 -1.385 1.00 0.00 H new ATOM 823 N ASP A 59 -3.545 11.416 0.336 1.00 0.00 N ATOM 824 CA ASP A 59 -3.946 12.727 0.833 1.00 0.00 C ATOM 825 C ASP A 59 -4.843 13.440 -0.173 1.00 0.00 C ATOM 826 O ASP A 59 -5.720 14.218 0.204 1.00 0.00 O ATOM 827 CB ASP A 59 -2.712 13.582 1.128 1.00 0.00 C ATOM 828 CG ASP A 59 -2.244 13.445 2.563 1.00 0.00 C ATOM 829 OD1 ASP A 59 -2.156 12.299 3.052 1.00 0.00 O ATOM 830 OD2 ASP A 59 -1.962 14.483 3.198 1.00 0.00 O ATOM 0 H ASP A 59 -2.553 11.334 0.114 1.00 0.00 H new ATOM 0 HA ASP A 59 -4.509 12.582 1.755 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -1.904 13.293 0.456 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -2.940 14.628 0.921 1.00 0.00 H new ATOM 835 N LEU A 60 -4.619 13.171 -1.456 1.00 0.00 N ATOM 836 CA LEU A 60 -5.408 13.788 -2.516 1.00 0.00 C ATOM 837 C LEU A 60 -6.293 12.754 -3.209 1.00 0.00 C ATOM 838 O LEU A 60 -5.898 11.600 -3.375 1.00 0.00 O ATOM 839 CB LEU A 60 -4.489 14.457 -3.539 1.00 0.00 C ATOM 840 CG LEU A 60 -3.550 15.523 -2.964 1.00 0.00 C ATOM 841 CD1 LEU A 60 -2.113 15.026 -2.959 1.00 0.00 C ATOM 842 CD2 LEU A 60 -3.665 16.819 -3.754 1.00 0.00 C ATOM 0 H LEU A 60 -3.898 12.530 -1.786 1.00 0.00 H new ATOM 0 HA LEU A 60 -6.050 14.544 -2.064 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -3.888 13.688 -4.023 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -5.104 14.915 -4.313 1.00 0.00 H new ATOM 0 HG LEU A 60 -3.847 15.721 -1.934 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -1.463 15.798 -2.547 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -2.041 14.126 -2.348 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -1.804 14.797 -3.979 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -2.991 17.564 -3.331 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -3.397 16.636 -4.794 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -4.690 17.186 -3.703 1.00 0.00 H new ATOM 854 N PRO A 61 -7.508 13.154 -3.627 1.00 0.00 N ATOM 855 CA PRO A 61 -8.444 12.253 -4.306 1.00 0.00 C ATOM 856 C PRO A 61 -7.820 11.581 -5.524 1.00 0.00 C ATOM 857 O PRO A 61 -7.376 12.252 -6.455 1.00 0.00 O ATOM 858 CB PRO A 61 -9.589 13.177 -4.734 1.00 0.00 C ATOM 859 CG PRO A 61 -9.518 14.330 -3.794 1.00 0.00 C ATOM 860 CD PRO A 61 -8.062 14.513 -3.472 1.00 0.00 C ATOM 0 HA PRO A 61 -8.760 11.435 -3.659 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -9.470 13.501 -5.768 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -10.552 12.671 -4.667 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -9.933 15.230 -4.248 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -10.096 14.133 -2.891 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -7.586 15.221 -4.150 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -7.918 14.893 -2.461 1.00 0.00 H new ATOM 868 N SER A 62 -7.791 10.253 -5.511 1.00 0.00 N ATOM 869 CA SER A 62 -7.222 9.489 -6.615 1.00 0.00 C ATOM 870 C SER A 62 -7.418 7.992 -6.400 1.00 0.00 C ATOM 871 O SER A 62 -6.520 7.193 -6.664 1.00 0.00 O ATOM 872 CB SER A 62 -5.733 9.806 -6.766 1.00 0.00 C ATOM 873 OG SER A 62 -5.250 9.396 -8.033 1.00 0.00 O ATOM 0 H SER A 62 -8.155 9.683 -4.748 1.00 0.00 H new ATOM 0 HA SER A 62 -7.742 9.775 -7.529 1.00 0.00 H new ATOM 0 HB2 SER A 62 -5.572 10.877 -6.641 1.00 0.00 H new ATOM 0 HB3 SER A 62 -5.170 9.305 -5.979 1.00 0.00 H new ATOM 0 HG SER A 62 -5.424 8.439 -8.156 1.00 0.00 H new ATOM 879 N GLY A 63 -8.599 7.619 -5.918 1.00 0.00 N ATOM 880 CA GLY A 63 -8.892 6.218 -5.675 1.00 0.00 C ATOM 881 C GLY A 63 -10.264 5.817 -6.179 1.00 0.00 C ATOM 882 O GLY A 63 -10.676 6.222 -7.265 1.00 0.00 O ATOM 0 H GLY A 63 -9.358 8.261 -5.691 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -8.135 5.602 -6.161 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -8.828 6.017 -4.606 1.00 0.00 H new ATOM 886 N LYS A 64 -10.972 5.015 -5.389 1.00 0.00 N ATOM 887 CA LYS A 64 -12.305 4.558 -5.762 1.00 0.00 C ATOM 888 C LYS A 64 -13.108 4.159 -4.526 1.00 0.00 C ATOM 889 O LYS A 64 -14.005 4.885 -4.095 1.00 0.00 O ATOM 890 CB LYS A 64 -12.208 3.375 -6.729 1.00 0.00 C ATOM 891 CG LYS A 64 -12.599 3.724 -8.155 1.00 0.00 C ATOM 892 CD LYS A 64 -12.291 2.582 -9.111 1.00 0.00 C ATOM 893 CE LYS A 64 -12.422 3.018 -10.561 1.00 0.00 C ATOM 894 NZ LYS A 64 -12.276 1.873 -11.501 1.00 0.00 N ATOM 0 H LYS A 64 -10.644 4.669 -4.487 1.00 0.00 H new ATOM 0 HA LYS A 64 -12.821 5.381 -6.257 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -11.187 2.994 -6.724 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -12.850 2.570 -6.371 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -13.663 3.957 -8.195 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -12.064 4.620 -8.472 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -11.280 2.217 -8.930 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -12.969 1.751 -8.917 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -13.393 3.490 -10.712 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -11.664 3.769 -10.784 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -12.372 2.213 -12.479 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -11.340 1.438 -11.376 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -13.014 1.167 -11.306 1.00 0.00 H new ATOM 908 N ASN A 65 -12.782 3.000 -3.963 1.00 0.00 N ATOM 909 CA ASN A 65 -13.474 2.505 -2.780 1.00 0.00 C ATOM 910 C ASN A 65 -13.238 3.423 -1.585 1.00 0.00 C ATOM 911 O ASN A 65 -12.111 3.841 -1.323 1.00 0.00 O ATOM 912 CB ASN A 65 -13.008 1.086 -2.446 1.00 0.00 C ATOM 913 CG ASN A 65 -11.496 0.971 -2.396 1.00 0.00 C ATOM 914 OD1 ASN A 65 -10.878 1.213 -1.359 1.00 0.00 O ATOM 915 ND2 ASN A 65 -10.893 0.601 -3.519 1.00 0.00 N ATOM 0 H ASN A 65 -12.043 2.387 -4.307 1.00 0.00 H new ATOM 0 HA ASN A 65 -14.542 2.489 -2.997 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -13.425 0.787 -1.484 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -13.398 0.393 -3.192 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -9.878 0.507 -3.546 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -11.445 0.410 -4.355 1.00 0.00 H new ATOM 922 N ASP A 66 -14.311 3.733 -0.862 1.00 0.00 N ATOM 923 CA ASP A 66 -14.222 4.602 0.305 1.00 0.00 C ATOM 924 C ASP A 66 -14.030 3.784 1.579 1.00 0.00 C ATOM 925 O ASP A 66 -14.717 4.002 2.579 1.00 0.00 O ATOM 926 CB ASP A 66 -15.480 5.466 0.421 1.00 0.00 C ATOM 927 CG ASP A 66 -16.747 4.636 0.484 1.00 0.00 C ATOM 928 OD1 ASP A 66 -16.663 3.452 0.874 1.00 0.00 O ATOM 929 OD2 ASP A 66 -17.824 5.169 0.142 1.00 0.00 O ATOM 0 H ASP A 66 -15.252 3.395 -1.065 1.00 0.00 H new ATOM 0 HA ASP A 66 -13.356 5.251 0.179 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -15.410 6.086 1.315 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -15.533 6.142 -0.433 1.00 0.00 H new ATOM 934 N GLY A 67 -13.092 2.844 1.537 1.00 0.00 N ATOM 935 CA GLY A 67 -12.826 2.008 2.694 1.00 0.00 C ATOM 936 C GLY A 67 -13.559 0.682 2.634 1.00 0.00 C ATOM 937 O GLY A 67 -13.086 -0.320 3.171 1.00 0.00 O ATOM 0 H GLY A 67 -12.511 2.646 0.723 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -11.754 1.824 2.766 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -13.120 2.541 3.598 1.00 0.00 H new ATOM 941 N SER A 68 -14.717 0.675 1.982 1.00 0.00 N ATOM 942 CA SER A 68 -15.516 -0.538 1.856 1.00 0.00 C ATOM 943 C SER A 68 -15.650 -0.954 0.396 1.00 0.00 C ATOM 944 O SER A 68 -15.663 -0.112 -0.502 1.00 0.00 O ATOM 945 CB SER A 68 -16.902 -0.326 2.467 1.00 0.00 C ATOM 946 OG SER A 68 -17.421 0.948 2.126 1.00 0.00 O ATOM 0 H SER A 68 -15.123 1.496 1.533 1.00 0.00 H new ATOM 0 HA SER A 68 -15.006 -1.336 2.396 1.00 0.00 H new ATOM 0 HB2 SER A 68 -17.580 -1.104 2.116 1.00 0.00 H new ATOM 0 HB3 SER A 68 -16.843 -0.420 3.551 1.00 0.00 H new ATOM 0 HG SER A 68 -17.056 1.229 1.261 1.00 0.00 H new ATOM 952 N ILE A 69 -15.750 -2.260 0.165 1.00 0.00 N ATOM 953 CA ILE A 69 -15.885 -2.790 -1.186 1.00 0.00 C ATOM 954 C ILE A 69 -16.847 -3.971 -1.218 1.00 0.00 C ATOM 955 O ILE A 69 -16.645 -4.968 -0.523 1.00 0.00 O ATOM 956 CB ILE A 69 -14.523 -3.236 -1.754 1.00 0.00 C ATOM 957 CG1 ILE A 69 -13.477 -2.137 -1.554 1.00 0.00 C ATOM 958 CG2 ILE A 69 -14.653 -3.588 -3.228 1.00 0.00 C ATOM 959 CD1 ILE A 69 -12.069 -2.577 -1.887 1.00 0.00 C ATOM 0 H ILE A 69 -15.740 -2.970 0.897 1.00 0.00 H new ATOM 0 HA ILE A 69 -16.281 -1.984 -1.804 1.00 0.00 H new ATOM 0 HB ILE A 69 -14.196 -4.125 -1.215 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -13.738 -1.280 -2.175 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -13.509 -1.800 -0.518 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -13.683 -3.901 -3.614 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -15.370 -4.401 -3.346 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -14.999 -2.715 -3.781 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -11.380 -1.748 -1.722 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -11.789 -3.414 -1.248 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -12.022 -2.886 -2.931 1.00 0.00 H new ATOM 971 N GLY A 70 -17.893 -3.855 -2.028 1.00 0.00 N ATOM 972 CA GLY A 70 -18.870 -4.923 -2.134 1.00 0.00 C ATOM 973 C GLY A 70 -19.676 -5.098 -0.862 1.00 0.00 C ATOM 974 O GLY A 70 -20.814 -4.636 -0.772 1.00 0.00 O ATOM 0 H GLY A 70 -18.082 -3.041 -2.613 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -19.546 -4.712 -2.963 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -18.359 -5.857 -2.369 1.00 0.00 H new ATOM 978 N GLY A 71 -19.086 -5.768 0.122 1.00 0.00 N ATOM 979 CA GLY A 71 -19.770 -5.991 1.382 1.00 0.00 C ATOM 980 C GLY A 71 -18.809 -6.237 2.529 1.00 0.00 C ATOM 981 O GLY A 71 -18.982 -7.181 3.300 1.00 0.00 O ATOM 0 H GLY A 71 -18.146 -6.161 0.069 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -20.392 -5.126 1.612 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -20.438 -6.846 1.282 1.00 0.00 H new ATOM 985 N LYS A 72 -17.793 -5.388 2.640 1.00 0.00 N ATOM 986 CA LYS A 72 -16.800 -5.518 3.700 1.00 0.00 C ATOM 987 C LYS A 72 -16.077 -4.196 3.933 1.00 0.00 C ATOM 988 O LYS A 72 -16.012 -3.348 3.042 1.00 0.00 O ATOM 989 CB LYS A 72 -15.790 -6.611 3.349 1.00 0.00 C ATOM 990 CG LYS A 72 -14.864 -6.976 4.499 1.00 0.00 C ATOM 991 CD LYS A 72 -14.584 -8.471 4.537 1.00 0.00 C ATOM 992 CE LYS A 72 -15.433 -9.173 5.586 1.00 0.00 C ATOM 993 NZ LYS A 72 -16.272 -10.250 4.990 1.00 0.00 N ATOM 0 H LYS A 72 -17.636 -4.602 2.009 1.00 0.00 H new ATOM 0 HA LYS A 72 -17.319 -5.794 4.618 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -16.329 -7.503 3.030 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -15.190 -6.281 2.501 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -13.925 -6.431 4.398 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -15.313 -6.665 5.442 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -14.784 -8.904 3.557 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -13.528 -8.639 4.751 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -14.785 -9.599 6.352 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -16.075 -8.444 6.081 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -16.836 -10.704 5.737 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -16.908 -9.840 4.277 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -15.659 -10.959 4.540 1.00 0.00 H new ATOM 1007 N GLN A 73 -15.537 -4.026 5.135 1.00 0.00 N ATOM 1008 CA GLN A 73 -14.818 -2.805 5.485 1.00 0.00 C ATOM 1009 C GLN A 73 -13.328 -3.080 5.652 1.00 0.00 C ATOM 1010 O GLN A 73 -12.894 -4.233 5.657 1.00 0.00 O ATOM 1011 CB GLN A 73 -15.388 -2.206 6.772 1.00 0.00 C ATOM 1012 CG GLN A 73 -15.621 -0.704 6.692 1.00 0.00 C ATOM 1013 CD GLN A 73 -14.898 0.059 7.784 1.00 0.00 C ATOM 1014 OE1 GLN A 73 -14.583 -0.493 8.839 1.00 0.00 O ATOM 1015 NE2 GLN A 73 -14.631 1.336 7.537 1.00 0.00 N ATOM 0 H GLN A 73 -15.583 -4.718 5.883 1.00 0.00 H new ATOM 0 HA GLN A 73 -14.946 -2.090 4.672 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -16.331 -2.700 7.007 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -14.705 -2.416 7.595 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -15.289 -0.340 5.720 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -16.690 -0.502 6.760 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -14.910 1.753 6.649 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -14.147 1.900 8.235 1.00 0.00 H new ATOM 1024 N TYR A 74 -12.546 -2.013 5.789 1.00 0.00 N ATOM 1025 CA TYR A 74 -11.103 -2.139 5.957 1.00 0.00 C ATOM 1026 C TYR A 74 -10.550 -0.985 6.787 1.00 0.00 C ATOM 1027 O TYR A 74 -10.057 -1.187 7.897 1.00 0.00 O ATOM 1028 CB TYR A 74 -10.411 -2.178 4.592 1.00 0.00 C ATOM 1029 CG TYR A 74 -10.627 -3.472 3.841 1.00 0.00 C ATOM 1030 CD1 TYR A 74 -11.785 -3.685 3.104 1.00 0.00 C ATOM 1031 CD2 TYR A 74 -9.671 -4.480 3.868 1.00 0.00 C ATOM 1032 CE1 TYR A 74 -11.986 -4.867 2.416 1.00 0.00 C ATOM 1033 CE2 TYR A 74 -9.864 -5.664 3.182 1.00 0.00 C ATOM 1034 CZ TYR A 74 -11.023 -5.853 2.459 1.00 0.00 C ATOM 1035 OH TYR A 74 -11.218 -7.030 1.774 1.00 0.00 O ATOM 0 H TYR A 74 -12.888 -1.052 5.787 1.00 0.00 H new ATOM 0 HA TYR A 74 -10.903 -3.072 6.485 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -10.777 -1.350 3.985 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -9.341 -2.023 4.732 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -12.541 -2.914 3.068 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -8.763 -4.336 4.434 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -12.892 -5.017 1.848 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -9.111 -6.437 3.212 1.00 0.00 H new ATOM 0 HH TYR A 74 -10.445 -7.618 1.907 1.00 0.00 H new ATOM 1045 N PHE A 75 -10.635 0.224 6.242 1.00 0.00 N ATOM 1046 CA PHE A 75 -10.143 1.410 6.933 1.00 0.00 C ATOM 1047 C PHE A 75 -11.100 2.583 6.748 1.00 0.00 C ATOM 1048 O PHE A 75 -11.551 2.861 5.637 1.00 0.00 O ATOM 1049 CB PHE A 75 -8.752 1.786 6.419 1.00 0.00 C ATOM 1050 CG PHE A 75 -8.663 1.852 4.920 1.00 0.00 C ATOM 1051 CD1 PHE A 75 -8.490 0.698 4.173 1.00 0.00 C ATOM 1052 CD2 PHE A 75 -8.754 3.066 4.260 1.00 0.00 C ATOM 1053 CE1 PHE A 75 -8.407 0.754 2.796 1.00 0.00 C ATOM 1054 CE2 PHE A 75 -8.672 3.129 2.882 1.00 0.00 C ATOM 1055 CZ PHE A 75 -8.499 1.971 2.148 1.00 0.00 C ATOM 0 H PHE A 75 -11.040 0.408 5.324 1.00 0.00 H new ATOM 0 HA PHE A 75 -10.079 1.180 7.997 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -8.469 2.753 6.835 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -8.029 1.058 6.786 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -8.419 -0.256 4.674 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -8.891 3.974 4.829 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -8.270 -0.153 2.226 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -8.743 4.082 2.379 1.00 0.00 H new ATOM 0 HZ PHE A 75 -8.436 2.017 1.071 1.00 0.00 H new ATOM 1065 N ARG A 76 -11.406 3.269 7.845 1.00 0.00 N ATOM 1066 CA ARG A 76 -12.310 4.413 7.804 1.00 0.00 C ATOM 1067 C ARG A 76 -11.569 5.677 7.379 1.00 0.00 C ATOM 1068 O ARG A 76 -10.681 6.155 8.084 1.00 0.00 O ATOM 1069 CB ARG A 76 -12.962 4.622 9.173 1.00 0.00 C ATOM 1070 CG ARG A 76 -14.437 4.986 9.094 1.00 0.00 C ATOM 1071 CD ARG A 76 -15.266 4.197 10.097 1.00 0.00 C ATOM 1072 NE ARG A 76 -15.967 5.070 11.035 1.00 0.00 N ATOM 1073 CZ ARG A 76 -16.992 4.679 11.788 1.00 0.00 C ATOM 1074 NH1 ARG A 76 -17.439 3.431 11.716 1.00 0.00 N ATOM 1075 NH2 ARG A 76 -17.573 5.538 12.616 1.00 0.00 N ATOM 0 H ARG A 76 -11.041 3.053 8.773 1.00 0.00 H new ATOM 0 HA ARG A 76 -13.087 4.206 7.068 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -12.852 3.711 9.762 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -12.429 5.411 9.704 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -14.559 6.053 9.280 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -14.806 4.794 8.086 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -15.991 3.582 9.564 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -14.617 3.518 10.650 1.00 0.00 H new ATOM 0 HE ARG A 76 -15.652 6.037 11.118 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -16.996 2.767 11.081 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -18.225 3.137 12.296 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -17.234 6.498 12.675 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -18.359 5.238 13.193 1.00 0.00 H new ATOM 1089 N CYS A 77 -11.943 6.215 6.222 1.00 0.00 N ATOM 1090 CA CYS A 77 -11.314 7.424 5.704 1.00 0.00 C ATOM 1091 C CYS A 77 -12.289 8.216 4.837 1.00 0.00 C ATOM 1092 O CYS A 77 -13.449 7.835 4.685 1.00 0.00 O ATOM 1093 CB CYS A 77 -10.067 7.068 4.893 1.00 0.00 C ATOM 1094 SG CYS A 77 -10.375 5.915 3.535 1.00 0.00 S ATOM 0 H CYS A 77 -12.678 5.833 5.626 1.00 0.00 H new ATOM 0 HA CYS A 77 -11.023 8.044 6.552 1.00 0.00 H new ATOM 0 HB2 CYS A 77 -9.637 7.984 4.488 1.00 0.00 H new ATOM 0 HB3 CYS A 77 -9.323 6.635 5.562 1.00 0.00 H new ATOM 0 HG CYS A 77 -9.571 4.899 3.638 1.00 0.00 H new ATOM 1100 N ASN A 78 -11.809 9.319 4.273 1.00 0.00 N ATOM 1101 CA ASN A 78 -12.638 10.164 3.422 1.00 0.00 C ATOM 1102 C ASN A 78 -12.970 9.457 2.110 1.00 0.00 C ATOM 1103 O ASN A 78 -12.233 8.575 1.667 1.00 0.00 O ATOM 1104 CB ASN A 78 -11.925 11.487 3.134 1.00 0.00 C ATOM 1105 CG ASN A 78 -11.657 12.286 4.394 1.00 0.00 C ATOM 1106 OD1 ASN A 78 -10.511 12.424 4.823 1.00 0.00 O ATOM 1107 ND2 ASN A 78 -12.716 12.817 4.996 1.00 0.00 N ATOM 0 H ASN A 78 -10.851 9.648 4.390 1.00 0.00 H new ATOM 0 HA ASN A 78 -13.569 10.367 3.951 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -10.981 11.285 2.628 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -12.532 12.082 2.452 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -12.597 13.364 5.848 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -13.648 12.677 4.606 1.00 0.00 H new ATOM 1114 N PRO A 79 -14.089 9.836 1.469 1.00 0.00 N ATOM 1115 CA PRO A 79 -14.514 9.233 0.201 1.00 0.00 C ATOM 1116 C PRO A 79 -13.584 9.594 -0.951 1.00 0.00 C ATOM 1117 O PRO A 79 -13.422 10.767 -1.288 1.00 0.00 O ATOM 1118 CB PRO A 79 -15.907 9.828 -0.028 1.00 0.00 C ATOM 1119 CG PRO A 79 -15.899 11.112 0.727 1.00 0.00 C ATOM 1120 CD PRO A 79 -15.023 10.881 1.927 1.00 0.00 C ATOM 0 HA PRO A 79 -14.504 8.144 0.244 1.00 0.00 H new ATOM 0 HB2 PRO A 79 -16.097 9.993 -1.088 1.00 0.00 H new ATOM 0 HB3 PRO A 79 -16.688 9.160 0.336 1.00 0.00 H new ATOM 0 HG2 PRO A 79 -15.512 11.924 0.112 1.00 0.00 H new ATOM 0 HG3 PRO A 79 -16.908 11.394 1.029 1.00 0.00 H new ATOM 0 HD2 PRO A 79 -14.497 11.789 2.222 1.00 0.00 H new ATOM 0 HD3 PRO A 79 -15.602 10.553 2.790 1.00 0.00 H new ATOM 1128 N GLY A 80 -12.974 8.578 -1.552 1.00 0.00 N ATOM 1129 CA GLY A 80 -12.066 8.810 -2.660 1.00 0.00 C ATOM 1130 C GLY A 80 -10.612 8.852 -2.227 1.00 0.00 C ATOM 1131 O GLY A 80 -9.709 8.758 -3.058 1.00 0.00 O ATOM 0 H GLY A 80 -13.092 7.599 -1.292 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -12.197 8.023 -3.403 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -12.324 9.752 -3.145 1.00 0.00 H new ATOM 1135 N TYR A 81 -10.384 8.994 -0.924 1.00 0.00 N ATOM 1136 CA TYR A 81 -9.029 9.048 -0.387 1.00 0.00 C ATOM 1137 C TYR A 81 -8.591 7.682 0.133 1.00 0.00 C ATOM 1138 O TYR A 81 -7.837 7.589 1.101 1.00 0.00 O ATOM 1139 CB TYR A 81 -8.945 10.084 0.736 1.00 0.00 C ATOM 1140 CG TYR A 81 -9.437 11.457 0.334 1.00 0.00 C ATOM 1141 CD1 TYR A 81 -10.794 11.708 0.172 1.00 0.00 C ATOM 1142 CD2 TYR A 81 -8.545 12.499 0.117 1.00 0.00 C ATOM 1143 CE1 TYR A 81 -11.248 12.961 -0.195 1.00 0.00 C ATOM 1144 CE2 TYR A 81 -8.991 13.755 -0.250 1.00 0.00 C ATOM 1145 CZ TYR A 81 -10.344 13.981 -0.405 1.00 0.00 C ATOM 1146 OH TYR A 81 -10.791 15.229 -0.770 1.00 0.00 O ATOM 0 H TYR A 81 -11.120 9.074 -0.222 1.00 0.00 H new ATOM 0 HA TYR A 81 -8.358 9.340 -1.195 1.00 0.00 H new ATOM 0 HB2 TYR A 81 -9.529 9.733 1.587 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -7.910 10.162 1.070 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -11.505 10.912 0.335 1.00 0.00 H new ATOM 0 HD2 TYR A 81 -7.486 12.325 0.237 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -12.306 13.140 -0.317 1.00 0.00 H new ATOM 0 HE2 TYR A 81 -8.285 14.555 -0.415 1.00 0.00 H new ATOM 0 HH TYR A 81 -10.026 15.832 -0.877 1.00 0.00 H new ATOM 1156 N GLY A 82 -9.071 6.626 -0.515 1.00 0.00 N ATOM 1157 CA GLY A 82 -8.717 5.280 -0.102 1.00 0.00 C ATOM 1158 C GLY A 82 -8.624 4.321 -1.272 1.00 0.00 C ATOM 1159 O GLY A 82 -9.550 4.221 -2.078 1.00 0.00 O ATOM 0 H GLY A 82 -9.698 6.678 -1.318 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -7.761 5.303 0.422 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -9.460 4.913 0.606 1.00 0.00 H new ATOM 1163 N LEU A 83 -7.503 3.613 -1.366 1.00 0.00 N ATOM 1164 CA LEU A 83 -7.291 2.657 -2.447 1.00 0.00 C ATOM 1165 C LEU A 83 -6.484 1.456 -1.963 1.00 0.00 C ATOM 1166 O LEU A 83 -5.512 1.608 -1.223 1.00 0.00 O ATOM 1167 CB LEU A 83 -6.573 3.330 -3.619 1.00 0.00 C ATOM 1168 CG LEU A 83 -6.787 2.663 -4.979 1.00 0.00 C ATOM 1169 CD1 LEU A 83 -8.238 2.798 -5.418 1.00 0.00 C ATOM 1170 CD2 LEU A 83 -5.856 3.267 -6.019 1.00 0.00 C ATOM 0 H LEU A 83 -6.728 3.683 -0.707 1.00 0.00 H new ATOM 0 HA LEU A 83 -8.267 2.305 -2.782 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -6.906 4.366 -3.683 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -5.504 3.352 -3.406 1.00 0.00 H new ATOM 0 HG LEU A 83 -6.555 1.602 -4.883 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -8.371 2.318 -6.387 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -8.886 2.320 -4.684 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -8.497 3.854 -5.498 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -6.021 2.781 -6.981 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -6.058 4.334 -6.112 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -4.821 3.119 -5.711 1.00 0.00 H new ATOM 1182 N LEU A 84 -6.894 0.266 -2.385 1.00 0.00 N ATOM 1183 CA LEU A 84 -6.209 -0.963 -1.995 1.00 0.00 C ATOM 1184 C LEU A 84 -5.284 -1.444 -3.108 1.00 0.00 C ATOM 1185 O LEU A 84 -5.737 -1.982 -4.117 1.00 0.00 O ATOM 1186 CB LEU A 84 -7.227 -2.052 -1.653 1.00 0.00 C ATOM 1187 CG LEU A 84 -7.632 -2.119 -0.179 1.00 0.00 C ATOM 1188 CD1 LEU A 84 -9.108 -2.464 -0.045 1.00 0.00 C ATOM 1189 CD2 LEU A 84 -6.777 -3.136 0.562 1.00 0.00 C ATOM 0 H LEU A 84 -7.697 0.125 -2.997 1.00 0.00 H new ATOM 0 HA LEU A 84 -5.606 -0.751 -1.112 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -8.123 -1.892 -2.253 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -6.815 -3.018 -1.945 1.00 0.00 H new ATOM 0 HG LEU A 84 -7.467 -1.139 0.268 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -9.377 -2.507 1.010 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -9.707 -1.700 -0.541 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -9.299 -3.432 -0.508 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -7.078 -3.171 1.609 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -6.911 -4.120 0.113 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -5.728 -2.847 0.496 1.00 0.00 H new ATOM 1201 N VAL A 85 -3.984 -1.245 -2.916 1.00 0.00 N ATOM 1202 CA VAL A 85 -2.993 -1.657 -3.903 1.00 0.00 C ATOM 1203 C VAL A 85 -2.146 -2.813 -3.382 1.00 0.00 C ATOM 1204 O VAL A 85 -1.866 -2.901 -2.186 1.00 0.00 O ATOM 1205 CB VAL A 85 -2.066 -0.491 -4.290 1.00 0.00 C ATOM 1206 CG1 VAL A 85 -2.797 0.498 -5.184 1.00 0.00 C ATOM 1207 CG2 VAL A 85 -1.529 0.199 -3.045 1.00 0.00 C ATOM 0 H VAL A 85 -3.592 -0.801 -2.086 1.00 0.00 H new ATOM 0 HA VAL A 85 -3.543 -1.982 -4.786 1.00 0.00 H new ATOM 0 HB VAL A 85 -1.220 -0.892 -4.848 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -2.126 1.315 -5.447 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -3.127 -0.007 -6.092 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -3.663 0.896 -4.655 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -0.875 1.021 -3.338 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -2.361 0.588 -2.457 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -0.966 -0.517 -2.447 1.00 0.00 H new ATOM 1217 N ARG A 86 -1.738 -3.697 -4.287 1.00 0.00 N ATOM 1218 CA ARG A 86 -0.920 -4.847 -3.918 1.00 0.00 C ATOM 1219 C ARG A 86 0.474 -4.403 -3.484 1.00 0.00 C ATOM 1220 O ARG A 86 0.937 -3.325 -3.859 1.00 0.00 O ATOM 1221 CB ARG A 86 -0.816 -5.823 -5.091 1.00 0.00 C ATOM 1222 CG ARG A 86 -2.149 -6.109 -5.765 1.00 0.00 C ATOM 1223 CD ARG A 86 -2.625 -7.525 -5.483 1.00 0.00 C ATOM 1224 NE ARG A 86 -3.315 -8.109 -6.631 1.00 0.00 N ATOM 1225 CZ ARG A 86 -2.691 -8.597 -7.701 1.00 0.00 C ATOM 1226 NH1 ARG A 86 -1.366 -8.571 -7.775 1.00 0.00 N ATOM 1227 NH2 ARG A 86 -3.395 -9.111 -8.701 1.00 0.00 N ATOM 0 H ARG A 86 -1.960 -3.639 -5.281 1.00 0.00 H new ATOM 0 HA ARG A 86 -1.400 -5.350 -3.079 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -0.124 -5.418 -5.830 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -0.389 -6.761 -4.736 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -2.895 -5.397 -5.414 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -2.052 -5.964 -6.841 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -1.771 -8.148 -5.218 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -3.294 -7.518 -4.623 1.00 0.00 H new ATOM 0 HE ARG A 86 -4.334 -8.145 -6.611 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -0.820 -8.176 -7.009 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -0.894 -8.946 -8.597 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -4.413 -9.132 -8.650 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -2.918 -9.485 -9.521 1.00 0.00 H new ATOM 1241 N PRO A 87 1.168 -5.232 -2.685 1.00 0.00 N ATOM 1242 CA PRO A 87 2.517 -4.918 -2.202 1.00 0.00 C ATOM 1243 C PRO A 87 3.461 -4.539 -3.337 1.00 0.00 C ATOM 1244 O PRO A 87 4.360 -3.715 -3.163 1.00 0.00 O ATOM 1245 CB PRO A 87 2.971 -6.219 -1.539 1.00 0.00 C ATOM 1246 CG PRO A 87 1.708 -6.903 -1.143 1.00 0.00 C ATOM 1247 CD PRO A 87 0.692 -6.538 -2.189 1.00 0.00 C ATOM 0 HA PRO A 87 2.521 -4.060 -1.529 1.00 0.00 H new ATOM 0 HB2 PRO A 87 3.554 -6.831 -2.227 1.00 0.00 H new ATOM 0 HB3 PRO A 87 3.603 -6.022 -0.673 1.00 0.00 H new ATOM 0 HG2 PRO A 87 1.848 -7.983 -1.095 1.00 0.00 H new ATOM 0 HG3 PRO A 87 1.383 -6.580 -0.154 1.00 0.00 H new ATOM 0 HD2 PRO A 87 0.651 -7.280 -2.986 1.00 0.00 H new ATOM 0 HD3 PRO A 87 -0.311 -6.467 -1.768 1.00 0.00 H new ATOM 1255 N SER A 88 3.247 -5.142 -4.499 1.00 0.00 N ATOM 1256 CA SER A 88 4.076 -4.870 -5.667 1.00 0.00 C ATOM 1257 C SER A 88 3.894 -3.431 -6.139 1.00 0.00 C ATOM 1258 O SER A 88 4.786 -2.857 -6.767 1.00 0.00 O ATOM 1259 CB SER A 88 3.731 -5.839 -6.800 1.00 0.00 C ATOM 1260 OG SER A 88 4.899 -6.248 -7.493 1.00 0.00 O ATOM 0 H SER A 88 2.505 -5.824 -4.658 1.00 0.00 H new ATOM 0 HA SER A 88 5.119 -5.011 -5.383 1.00 0.00 H new ATOM 0 HB2 SER A 88 3.221 -6.712 -6.394 1.00 0.00 H new ATOM 0 HB3 SER A 88 3.040 -5.361 -7.495 1.00 0.00 H new ATOM 0 HG SER A 88 4.653 -6.868 -8.211 1.00 0.00 H new ATOM 1266 N ARG A 89 2.737 -2.851 -5.835 1.00 0.00 N ATOM 1267 CA ARG A 89 2.443 -1.478 -6.229 1.00 0.00 C ATOM 1268 C ARG A 89 2.782 -0.498 -5.107 1.00 0.00 C ATOM 1269 O ARG A 89 2.282 0.626 -5.083 1.00 0.00 O ATOM 1270 CB ARG A 89 0.968 -1.340 -6.610 1.00 0.00 C ATOM 1271 CG ARG A 89 0.632 -1.933 -7.970 1.00 0.00 C ATOM 1272 CD ARG A 89 0.703 -0.884 -9.068 1.00 0.00 C ATOM 1273 NE ARG A 89 -0.174 -1.208 -10.191 1.00 0.00 N ATOM 1274 CZ ARG A 89 -0.569 -0.320 -11.101 1.00 0.00 C ATOM 1275 NH1 ARG A 89 -0.168 0.942 -11.026 1.00 0.00 N ATOM 1276 NH2 ARG A 89 -1.367 -0.698 -12.091 1.00 0.00 N ATOM 0 H ARG A 89 1.988 -3.311 -5.317 1.00 0.00 H new ATOM 0 HA ARG A 89 3.062 -1.238 -7.094 1.00 0.00 H new ATOM 0 HB2 ARG A 89 0.358 -1.828 -5.850 1.00 0.00 H new ATOM 0 HB3 ARG A 89 0.698 -0.284 -6.607 1.00 0.00 H new ATOM 0 HG2 ARG A 89 1.324 -2.744 -8.195 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -0.368 -2.365 -7.943 1.00 0.00 H new ATOM 0 HD2 ARG A 89 0.425 0.088 -8.660 1.00 0.00 H new ATOM 0 HD3 ARG A 89 1.730 -0.799 -9.423 1.00 0.00 H new ATOM 0 HE ARG A 89 -0.502 -2.169 -10.283 1.00 0.00 H new ATOM 0 HH11 ARG A 89 0.447 1.238 -10.268 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -0.474 1.617 -11.727 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -1.677 -1.668 -12.154 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -1.671 -0.019 -12.789 1.00 0.00 H new ATOM 1290 N VAL A 90 3.638 -0.927 -4.181 1.00 0.00 N ATOM 1291 CA VAL A 90 4.040 -0.083 -3.064 1.00 0.00 C ATOM 1292 C VAL A 90 5.547 0.158 -3.076 1.00 0.00 C ATOM 1293 O VAL A 90 6.334 -0.783 -3.173 1.00 0.00 O ATOM 1294 CB VAL A 90 3.642 -0.705 -1.713 1.00 0.00 C ATOM 1295 CG1 VAL A 90 3.927 0.260 -0.572 1.00 0.00 C ATOM 1296 CG2 VAL A 90 2.174 -1.110 -1.722 1.00 0.00 C ATOM 0 H VAL A 90 4.065 -1.854 -4.185 1.00 0.00 H new ATOM 0 HA VAL A 90 3.519 0.867 -3.182 1.00 0.00 H new ATOM 0 HB VAL A 90 4.243 -1.601 -1.558 1.00 0.00 H new ATOM 0 HG11 VAL A 90 3.638 -0.199 0.374 1.00 0.00 H new ATOM 0 HG12 VAL A 90 4.991 0.495 -0.551 1.00 0.00 H new ATOM 0 HG13 VAL A 90 3.356 1.177 -0.719 1.00 0.00 H new ATOM 0 HG21 VAL A 90 1.911 -1.548 -0.759 1.00 0.00 H new ATOM 0 HG22 VAL A 90 1.555 -0.231 -1.902 1.00 0.00 H new ATOM 0 HG23 VAL A 90 2.003 -1.842 -2.512 1.00 0.00 H new ATOM 1306 N ARG A 91 5.939 1.424 -2.980 1.00 0.00 N ATOM 1307 CA ARG A 91 7.352 1.788 -2.981 1.00 0.00 C ATOM 1308 C ARG A 91 7.694 2.651 -1.773 1.00 0.00 C ATOM 1309 O ARG A 91 6.851 3.391 -1.265 1.00 0.00 O ATOM 1310 CB ARG A 91 7.705 2.531 -4.270 1.00 0.00 C ATOM 1311 CG ARG A 91 8.176 1.616 -5.390 1.00 0.00 C ATOM 1312 CD ARG A 91 9.540 1.018 -5.083 1.00 0.00 C ATOM 1313 NE ARG A 91 9.718 -0.291 -5.708 1.00 0.00 N ATOM 1314 CZ ARG A 91 10.640 -1.173 -5.332 1.00 0.00 C ATOM 1315 NH1 ARG A 91 11.468 -0.893 -4.332 1.00 0.00 N ATOM 1316 NH2 ARG A 91 10.735 -2.339 -5.954 1.00 0.00 N ATOM 0 H ARG A 91 5.299 2.215 -2.901 1.00 0.00 H new ATOM 0 HA ARG A 91 7.938 0.871 -2.925 1.00 0.00 H new ATOM 0 HB2 ARG A 91 6.831 3.087 -4.610 1.00 0.00 H new ATOM 0 HB3 ARG A 91 8.485 3.262 -4.056 1.00 0.00 H new ATOM 0 HG2 ARG A 91 7.451 0.815 -5.537 1.00 0.00 H new ATOM 0 HG3 ARG A 91 8.225 2.177 -6.323 1.00 0.00 H new ATOM 0 HD2 ARG A 91 10.319 1.695 -5.432 1.00 0.00 H new ATOM 0 HD3 ARG A 91 9.660 0.924 -4.004 1.00 0.00 H new ATOM 0 HE ARG A 91 9.099 -0.543 -6.478 1.00 0.00 H new ATOM 0 HH11 ARG A 91 11.399 0.002 -3.848 1.00 0.00 H new ATOM 0 HH12 ARG A 91 12.173 -1.573 -4.048 1.00 0.00 H new ATOM 0 HH21 ARG A 91 10.101 -2.561 -6.722 1.00 0.00 H new ATOM 0 HH22 ARG A 91 11.442 -3.015 -5.665 1.00 0.00 H new ATOM 1330 N ARG A 92 8.938 2.552 -1.316 1.00 0.00 N ATOM 1331 CA ARG A 92 9.395 3.325 -0.166 1.00 0.00 C ATOM 1332 C ARG A 92 9.411 4.816 -0.484 1.00 0.00 C ATOM 1333 O ARG A 92 9.825 5.226 -1.568 1.00 0.00 O ATOM 1334 CB ARG A 92 10.792 2.868 0.260 1.00 0.00 C ATOM 1335 CG ARG A 92 10.779 1.780 1.322 1.00 0.00 C ATOM 1336 CD ARG A 92 11.861 2.005 2.368 1.00 0.00 C ATOM 1337 NE ARG A 92 12.693 0.819 2.560 1.00 0.00 N ATOM 1338 CZ ARG A 92 13.679 0.465 1.739 1.00 0.00 C ATOM 1339 NH1 ARG A 92 13.960 1.201 0.670 1.00 0.00 N ATOM 1340 NH2 ARG A 92 14.387 -0.627 1.988 1.00 0.00 N ATOM 0 H ARG A 92 9.648 1.944 -1.724 1.00 0.00 H new ATOM 0 HA ARG A 92 8.698 3.154 0.655 1.00 0.00 H new ATOM 0 HB2 ARG A 92 11.328 2.503 -0.616 1.00 0.00 H new ATOM 0 HB3 ARG A 92 11.346 3.727 0.638 1.00 0.00 H new ATOM 0 HG2 ARG A 92 9.803 1.756 1.807 1.00 0.00 H new ATOM 0 HG3 ARG A 92 10.925 0.808 0.850 1.00 0.00 H new ATOM 0 HD2 ARG A 92 12.489 2.843 2.065 1.00 0.00 H new ATOM 0 HD3 ARG A 92 11.398 2.280 3.316 1.00 0.00 H new ATOM 0 HE ARG A 92 12.507 0.228 3.370 1.00 0.00 H new ATOM 0 HH11 ARG A 92 13.419 2.043 0.474 1.00 0.00 H new ATOM 0 HH12 ARG A 92 14.717 0.924 0.045 1.00 0.00 H new ATOM 0 HH21 ARG A 92 14.176 -1.195 2.808 1.00 0.00 H new ATOM 0 HH22 ARG A 92 15.143 -0.899 1.359 1.00 0.00 H new ATOM 1354 N ALA A 93 8.957 5.624 0.468 1.00 0.00 N ATOM 1355 CA ALA A 93 8.920 7.071 0.290 1.00 0.00 C ATOM 1356 C ALA A 93 10.197 7.719 0.815 1.00 0.00 C ATOM 1357 O ALA A 93 10.754 7.288 1.823 1.00 0.00 O ATOM 1358 CB ALA A 93 7.702 7.656 0.988 1.00 0.00 C ATOM 0 H ALA A 93 8.609 5.301 1.371 1.00 0.00 H new ATOM 0 HA ALA A 93 8.849 7.282 -0.777 1.00 0.00 H new ATOM 0 HB1 ALA A 93 7.686 8.737 0.847 1.00 0.00 H new ATOM 0 HB2 ALA A 93 6.796 7.222 0.564 1.00 0.00 H new ATOM 0 HB3 ALA A 93 7.749 7.429 2.053 1.00 0.00 H new ATOM 1364 N THR A 94 10.653 8.759 0.124 1.00 0.00 N ATOM 1365 CA THR A 94 11.864 9.467 0.520 1.00 0.00 C ATOM 1366 C THR A 94 11.593 10.391 1.702 1.00 0.00 C ATOM 1367 O THR A 94 11.462 11.604 1.538 1.00 0.00 O ATOM 1368 CB THR A 94 12.417 10.273 -0.657 1.00 0.00 C ATOM 1369 OG1 THR A 94 13.473 11.117 -0.235 1.00 0.00 O ATOM 1370 CG2 THR A 94 11.375 11.142 -1.328 1.00 0.00 C ATOM 0 H THR A 94 10.202 9.130 -0.712 1.00 0.00 H new ATOM 0 HA THR A 94 12.604 8.727 0.824 1.00 0.00 H new ATOM 0 HB THR A 94 12.767 9.532 -1.376 1.00 0.00 H new ATOM 0 HG1 THR A 94 13.814 11.623 -1.002 1.00 0.00 H new ATOM 0 HG21 THR A 94 11.833 11.687 -2.154 1.00 0.00 H new ATOM 0 HG22 THR A 94 10.569 10.515 -1.709 1.00 0.00 H new ATOM 0 HG23 THR A 94 10.972 11.851 -0.605 1.00 0.00 H new ATOM 1378 N SER A 95 11.509 9.810 2.895 1.00 0.00 N ATOM 1379 CA SER A 95 11.253 10.582 4.105 1.00 0.00 C ATOM 1380 C SER A 95 12.547 10.838 4.870 1.00 0.00 C ATOM 1381 O SER A 95 13.557 10.169 4.643 1.00 0.00 O ATOM 1382 CB SER A 95 10.254 9.848 5.002 1.00 0.00 C ATOM 1383 OG SER A 95 9.927 10.623 6.142 1.00 0.00 O ATOM 0 H SER A 95 11.615 8.807 3.049 1.00 0.00 H new ATOM 0 HA SER A 95 10.829 11.542 3.811 1.00 0.00 H new ATOM 0 HB2 SER A 95 9.348 9.626 4.437 1.00 0.00 H new ATOM 0 HB3 SER A 95 10.676 8.893 5.316 1.00 0.00 H new ATOM 0 HG SER A 95 9.286 10.133 6.698 1.00 0.00 H new ATOM 1389 N GLY A 96 12.513 11.810 5.775 1.00 0.00 N ATOM 1390 CA GLY A 96 13.690 12.136 6.558 1.00 0.00 C ATOM 1391 C GLY A 96 14.409 13.368 6.039 1.00 0.00 C ATOM 1392 O GLY A 96 15.223 13.270 5.121 1.00 0.00 O ATOM 0 H GLY A 96 11.691 12.378 5.980 1.00 0.00 H new ATOM 0 HA2 GLY A 96 13.399 12.299 7.596 1.00 0.00 H new ATOM 0 HA3 GLY A 96 14.375 11.288 6.549 1.00 0.00 H new ATOM 1396 N PRO A 97 14.129 14.552 6.611 1.00 0.00 N ATOM 1397 CA PRO A 97 14.767 15.803 6.187 1.00 0.00 C ATOM 1398 C PRO A 97 16.253 15.839 6.529 1.00 0.00 C ATOM 1399 O PRO A 97 16.691 16.638 7.358 1.00 0.00 O ATOM 1400 CB PRO A 97 14.008 16.877 6.972 1.00 0.00 C ATOM 1401 CG PRO A 97 13.472 16.166 8.167 1.00 0.00 C ATOM 1402 CD PRO A 97 13.172 14.764 7.713 1.00 0.00 C ATOM 0 HA PRO A 97 14.721 15.938 5.106 1.00 0.00 H new ATOM 0 HB2 PRO A 97 14.667 17.696 7.261 1.00 0.00 H new ATOM 0 HB3 PRO A 97 13.205 17.310 6.376 1.00 0.00 H new ATOM 0 HG2 PRO A 97 14.198 16.166 8.980 1.00 0.00 H new ATOM 0 HG3 PRO A 97 12.573 16.656 8.542 1.00 0.00 H new ATOM 0 HD2 PRO A 97 13.317 14.041 8.516 1.00 0.00 H new ATOM 0 HD3 PRO A 97 12.141 14.663 7.375 1.00 0.00 H new ATOM 1410 N SER A 98 17.023 14.969 5.886 1.00 0.00 N ATOM 1411 CA SER A 98 18.460 14.900 6.122 1.00 0.00 C ATOM 1412 C SER A 98 19.225 14.820 4.804 1.00 0.00 C ATOM 1413 O SER A 98 18.811 14.127 3.875 1.00 0.00 O ATOM 1414 CB SER A 98 18.797 13.689 6.993 1.00 0.00 C ATOM 1415 OG SER A 98 19.849 13.986 7.896 1.00 0.00 O ATOM 0 H SER A 98 16.676 14.301 5.197 1.00 0.00 H new ATOM 0 HA SER A 98 18.761 15.809 6.642 1.00 0.00 H new ATOM 0 HB2 SER A 98 17.912 13.380 7.550 1.00 0.00 H new ATOM 0 HB3 SER A 98 19.084 12.850 6.359 1.00 0.00 H new ATOM 0 HG SER A 98 20.044 13.196 8.442 1.00 0.00 H new ATOM 1421 N SER A 99 20.343 15.535 4.732 1.00 0.00 N ATOM 1422 CA SER A 99 21.168 15.545 3.528 1.00 0.00 C ATOM 1423 C SER A 99 22.620 15.866 3.868 1.00 0.00 C ATOM 1424 O SER A 99 22.951 16.143 5.020 1.00 0.00 O ATOM 1425 CB SER A 99 20.628 16.566 2.524 1.00 0.00 C ATOM 1426 OG SER A 99 20.744 16.086 1.196 1.00 0.00 O ATOM 0 H SER A 99 20.699 16.115 5.492 1.00 0.00 H new ATOM 0 HA SER A 99 21.129 14.552 3.081 1.00 0.00 H new ATOM 0 HB2 SER A 99 19.583 16.781 2.746 1.00 0.00 H new ATOM 0 HB3 SER A 99 21.175 17.504 2.624 1.00 0.00 H new ATOM 0 HG SER A 99 20.391 16.756 0.574 1.00 0.00 H new ATOM 1432 N GLY A 100 23.481 15.826 2.857 1.00 0.00 N ATOM 1433 CA GLY A 100 24.887 16.114 3.069 1.00 0.00 C ATOM 1434 C GLY A 100 25.738 14.860 3.108 1.00 0.00 C ATOM 1435 O GLY A 100 25.164 13.758 3.230 1.00 0.00 O ATOM 1436 OXT GLY A 100 26.978 14.980 3.015 1.00 0.00 O ATOM 0 H GLY A 100 23.230 15.599 1.895 1.00 0.00 H new ATOM 0 HA2 GLY A 100 25.245 16.767 2.273 1.00 0.00 H new ATOM 0 HA3 GLY A 100 25.006 16.659 4.006 1.00 0.00 H new TER 1440 GLY A 100