USER MOD reduce.3.24.130724 H: found=0, std=0, add=658, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 662 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 4 SER OG : rot 160:sc= -0.266 USER MOD Single : A 7 THR OG1 : rot 180:sc= -0.075 USER MOD Single : A 31 HIS : no HE2:sc= 0.553 K(o=0.55,f=-1.8!) USER MOD Single : B 64 SER OG : rot 160:sc= -0.262 USER MOD Single : B 67 THR OG1 : rot 180:sc= -0.08 USER MOD Single : B 91 HIS : no HE2:sc= 0.551 K(o=0.55,f=-1.8!) USER MOD ----------------------------------------------------------------- ATOM 25 N ILE A 2 -1.174 -1.178 -30.772 1.00 0.00 N ATOM 26 CA ILE A 2 -1.633 -1.668 -29.473 1.00 0.00 C ATOM 27 C ILE A 2 -2.619 -0.688 -28.829 1.00 0.00 C ATOM 28 O ILE A 2 -2.496 0.524 -29.006 1.00 0.00 O ATOM 29 CB ILE A 2 -0.455 -1.923 -28.499 1.00 0.00 C ATOM 30 CG1 ILE A 2 0.583 -0.794 -28.567 1.00 0.00 C ATOM 31 CG2 ILE A 2 0.200 -3.262 -28.805 1.00 0.00 C ATOM 32 CD1 ILE A 2 0.369 0.291 -27.531 1.00 0.00 C ATOM 0 HA ILE A 2 -2.137 -2.616 -29.661 1.00 0.00 H new ATOM 0 HB ILE A 2 -0.857 -1.946 -27.486 1.00 0.00 H new ATOM 0 HG12 ILE A 2 1.578 -1.219 -28.436 1.00 0.00 H new ATOM 0 HG13 ILE A 2 0.556 -0.346 -29.560 1.00 0.00 H new ATOM 0 HG21 ILE A 2 1.026 -3.429 -28.114 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -0.534 -4.060 -28.693 1.00 0.00 H new ATOM 0 HG23 ILE A 2 0.578 -3.257 -29.827 1.00 0.00 H new ATOM 0 HD11 ILE A 2 1.139 1.054 -27.639 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -0.612 0.743 -27.675 1.00 0.00 H new ATOM 0 HD13 ILE A 2 0.426 -0.143 -26.533 1.00 0.00 H new ATOM 44 N PRO A 3 -3.614 -1.206 -28.071 1.00 0.00 N ATOM 45 CA PRO A 3 -4.622 -0.366 -27.401 1.00 0.00 C ATOM 46 C PRO A 3 -4.034 0.460 -26.256 1.00 0.00 C ATOM 47 O PRO A 3 -3.177 -0.017 -25.511 1.00 0.00 O ATOM 48 CB PRO A 3 -5.635 -1.384 -26.863 1.00 0.00 C ATOM 49 CG PRO A 3 -4.880 -2.661 -26.733 1.00 0.00 C ATOM 50 CD PRO A 3 -3.841 -2.647 -27.819 1.00 0.00 C ATOM 0 HA PRO A 3 -5.053 0.367 -28.082 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -6.039 -1.066 -25.902 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -6.480 -1.494 -27.543 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -4.415 -2.740 -25.750 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -5.544 -3.519 -26.841 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -2.925 -3.147 -27.503 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -4.192 -3.160 -28.715 1.00 0.00 H new ATOM 58 N SER A 4 -4.508 1.701 -26.126 1.00 0.00 N ATOM 59 CA SER A 4 -4.039 2.606 -25.077 1.00 0.00 C ATOM 60 C SER A 4 -4.723 2.316 -23.738 1.00 0.00 C ATOM 61 O SER A 4 -4.352 2.884 -22.708 1.00 0.00 O ATOM 62 CB SER A 4 -4.293 4.059 -25.485 1.00 0.00 C ATOM 63 OG SER A 4 -3.610 4.379 -26.685 1.00 0.00 O ATOM 0 H SER A 4 -5.219 2.102 -26.737 1.00 0.00 H new ATOM 0 HA SER A 4 -2.968 2.444 -24.952 1.00 0.00 H new ATOM 0 HB2 SER A 4 -5.363 4.221 -25.618 1.00 0.00 H new ATOM 0 HB3 SER A 4 -3.966 4.726 -24.688 1.00 0.00 H new ATOM 0 HG SER A 4 -4.021 5.169 -27.095 1.00 0.00 H new ATOM 69 N ILE A 5 -5.718 1.426 -23.762 1.00 0.00 N ATOM 70 CA ILE A 5 -6.457 1.055 -22.553 1.00 0.00 C ATOM 71 C ILE A 5 -5.709 -0.019 -21.756 1.00 0.00 C ATOM 72 O ILE A 5 -5.777 -0.047 -20.526 1.00 0.00 O ATOM 73 CB ILE A 5 -7.883 0.541 -22.887 1.00 0.00 C ATOM 74 CG1 ILE A 5 -8.548 1.425 -23.948 1.00 0.00 C ATOM 75 CG2 ILE A 5 -8.746 0.495 -21.631 1.00 0.00 C ATOM 76 CD1 ILE A 5 -8.428 0.879 -25.355 1.00 0.00 C ATOM 0 H ILE A 5 -6.031 0.948 -24.607 1.00 0.00 H new ATOM 0 HA ILE A 5 -6.543 1.958 -21.949 1.00 0.00 H new ATOM 0 HB ILE A 5 -7.790 -0.469 -23.286 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -9.603 1.542 -23.702 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -8.101 2.418 -23.913 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -9.742 0.132 -21.887 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -8.292 -0.176 -20.902 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -8.823 1.496 -21.205 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -8.921 1.557 -26.052 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -7.375 0.788 -25.621 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -8.901 -0.102 -25.406 1.00 0.00 H new ATOM 88 N ALA A 6 -4.996 -0.894 -22.468 1.00 0.00 N ATOM 89 CA ALA A 6 -4.235 -1.970 -21.836 1.00 0.00 C ATOM 90 C ALA A 6 -2.860 -1.490 -21.372 1.00 0.00 C ATOM 91 O ALA A 6 -2.286 -2.044 -20.431 1.00 0.00 O ATOM 92 CB ALA A 6 -4.087 -3.142 -22.795 1.00 0.00 C ATOM 0 H ALA A 6 -4.931 -0.877 -23.486 1.00 0.00 H new ATOM 0 HA ALA A 6 -4.788 -2.295 -20.955 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -3.518 -3.937 -22.313 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -5.074 -3.516 -23.068 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -3.563 -2.814 -23.692 1.00 0.00 H new ATOM 98 N THR A 7 -2.343 -0.451 -22.034 1.00 0.00 N ATOM 99 CA THR A 7 -1.032 0.113 -21.702 1.00 0.00 C ATOM 100 C THR A 7 -1.018 0.712 -20.291 1.00 0.00 C ATOM 101 O THR A 7 0.006 0.678 -19.606 1.00 0.00 O ATOM 102 CB THR A 7 -0.620 1.201 -22.718 1.00 0.00 C ATOM 103 OG1 THR A 7 -1.106 0.863 -24.024 1.00 0.00 O ATOM 104 CG2 THR A 7 0.895 1.359 -22.769 1.00 0.00 C ATOM 0 H THR A 7 -2.815 0.018 -22.807 1.00 0.00 H new ATOM 0 HA THR A 7 -0.316 -0.708 -21.744 1.00 0.00 H new ATOM 0 HB THR A 7 -1.058 2.145 -22.395 1.00 0.00 H new ATOM 0 HG1 THR A 7 -0.842 1.559 -24.662 1.00 0.00 H new ATOM 0 HG21 THR A 7 1.156 2.131 -23.492 1.00 0.00 H new ATOM 0 HG22 THR A 7 1.264 1.645 -21.784 1.00 0.00 H new ATOM 0 HG23 THR A 7 1.350 0.414 -23.067 1.00 0.00 H new ATOM 112 N GLY A 8 -2.159 1.260 -19.868 1.00 0.00 N ATOM 113 CA GLY A 8 -2.267 1.847 -18.541 1.00 0.00 C ATOM 114 C GLY A 8 -2.519 0.805 -17.467 1.00 0.00 C ATOM 115 O GLY A 8 -1.936 0.862 -16.378 1.00 0.00 O ATOM 0 H GLY A 8 -3.013 1.307 -20.424 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -1.349 2.388 -18.310 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -3.077 2.576 -18.534 1.00 0.00 H new ATOM 119 N LEU A 9 -3.385 -0.160 -17.788 1.00 0.00 N ATOM 120 CA LEU A 9 -3.734 -1.236 -16.862 1.00 0.00 C ATOM 121 C LEU A 9 -2.515 -2.085 -16.511 1.00 0.00 C ATOM 122 O LEU A 9 -2.302 -2.421 -15.350 1.00 0.00 O ATOM 123 CB LEU A 9 -4.826 -2.127 -17.463 1.00 0.00 C ATOM 124 CG LEU A 9 -6.196 -1.462 -17.641 1.00 0.00 C ATOM 125 CD1 LEU A 9 -7.005 -2.185 -18.707 1.00 0.00 C ATOM 126 CD2 LEU A 9 -6.960 -1.439 -16.323 1.00 0.00 C ATOM 0 H LEU A 9 -3.859 -0.216 -18.689 1.00 0.00 H new ATOM 0 HA LEU A 9 -4.107 -0.774 -15.948 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -4.486 -2.484 -18.435 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -4.947 -3.003 -16.826 1.00 0.00 H new ATOM 0 HG LEU A 9 -6.035 -0.433 -17.964 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -7.974 -1.699 -18.820 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -6.469 -2.151 -19.656 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -7.152 -3.224 -18.410 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -7.929 -0.963 -16.472 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -7.108 -2.460 -15.970 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -6.390 -0.878 -15.582 1.00 0.00 H new ATOM 138 N VAL A 10 -1.709 -2.416 -17.521 1.00 0.00 N ATOM 139 CA VAL A 10 -0.515 -3.237 -17.312 1.00 0.00 C ATOM 140 C VAL A 10 0.473 -2.568 -16.353 1.00 0.00 C ATOM 141 O VAL A 10 1.052 -3.223 -15.486 1.00 0.00 O ATOM 142 CB VAL A 10 0.192 -3.576 -18.649 1.00 0.00 C ATOM 143 CG1 VAL A 10 -0.689 -4.486 -19.494 1.00 0.00 C ATOM 144 CG2 VAL A 10 0.559 -2.317 -19.429 1.00 0.00 C ATOM 0 H VAL A 10 -1.860 -2.130 -18.488 1.00 0.00 H new ATOM 0 HA VAL A 10 -0.857 -4.168 -16.859 1.00 0.00 H new ATOM 0 HB VAL A 10 1.119 -4.097 -18.411 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -0.181 -4.717 -20.430 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -0.885 -5.410 -18.950 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -1.632 -3.983 -19.707 1.00 0.00 H new ATOM 0 HG21 VAL A 10 1.053 -2.597 -20.360 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -0.345 -1.751 -19.653 1.00 0.00 H new ATOM 0 HG23 VAL A 10 1.232 -1.702 -18.832 1.00 0.00 H new ATOM 154 N GLY A 11 0.630 -1.257 -16.501 1.00 0.00 N ATOM 155 CA GLY A 11 1.541 -0.501 -15.652 1.00 0.00 C ATOM 156 C GLY A 11 1.075 -0.425 -14.211 1.00 0.00 C ATOM 157 O GLY A 11 1.847 -0.704 -13.288 1.00 0.00 O ATOM 0 H GLY A 11 0.139 -0.698 -17.199 1.00 0.00 H new ATOM 0 HA2 GLY A 11 2.528 -0.961 -15.686 1.00 0.00 H new ATOM 0 HA3 GLY A 11 1.646 0.509 -16.049 1.00 0.00 H new ATOM 161 N ALA A 12 -0.195 -0.066 -14.016 1.00 0.00 N ATOM 162 CA ALA A 12 -0.759 0.064 -12.671 1.00 0.00 C ATOM 163 C ALA A 12 -1.006 -1.283 -12.005 1.00 0.00 C ATOM 164 O ALA A 12 -0.714 -1.454 -10.821 1.00 0.00 O ATOM 165 CB ALA A 12 -2.043 0.877 -12.713 1.00 0.00 C ATOM 0 H ALA A 12 -0.851 0.139 -14.770 1.00 0.00 H new ATOM 0 HA ALA A 12 -0.019 0.586 -12.065 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -2.451 0.965 -11.706 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -1.832 1.871 -13.107 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -2.768 0.378 -13.356 1.00 0.00 H new ATOM 171 N LEU A 13 -1.544 -2.238 -12.761 1.00 0.00 N ATOM 172 CA LEU A 13 -1.824 -3.567 -12.223 1.00 0.00 C ATOM 173 C LEU A 13 -0.531 -4.284 -11.840 1.00 0.00 C ATOM 174 O LEU A 13 -0.461 -4.929 -10.790 1.00 0.00 O ATOM 175 CB LEU A 13 -2.628 -4.392 -13.235 1.00 0.00 C ATOM 176 CG LEU A 13 -4.150 -4.187 -13.183 1.00 0.00 C ATOM 177 CD1 LEU A 13 -4.532 -2.771 -13.611 1.00 0.00 C ATOM 178 CD2 LEU A 13 -4.852 -5.213 -14.060 1.00 0.00 C ATOM 0 H LEU A 13 -1.794 -2.117 -13.743 1.00 0.00 H new ATOM 0 HA LEU A 13 -2.422 -3.453 -11.319 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -2.279 -4.148 -14.238 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -2.414 -5.448 -13.071 1.00 0.00 H new ATOM 0 HG LEU A 13 -4.473 -4.325 -12.151 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -5.615 -2.656 -13.564 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -4.061 -2.050 -12.943 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -4.193 -2.595 -14.632 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -5.930 -5.055 -14.013 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -4.514 -5.103 -15.090 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -4.616 -6.217 -13.706 1.00 0.00 H new ATOM 190 N LEU A 14 0.501 -4.154 -12.683 1.00 0.00 N ATOM 191 CA LEU A 14 1.795 -4.777 -12.407 1.00 0.00 C ATOM 192 C LEU A 14 2.499 -4.081 -11.247 1.00 0.00 C ATOM 193 O LEU A 14 3.099 -4.737 -10.391 1.00 0.00 O ATOM 194 CB LEU A 14 2.686 -4.760 -13.655 1.00 0.00 C ATOM 195 CG LEU A 14 2.702 -6.061 -14.465 1.00 0.00 C ATOM 196 CD1 LEU A 14 1.445 -6.188 -15.315 1.00 0.00 C ATOM 197 CD2 LEU A 14 3.946 -6.126 -15.338 1.00 0.00 C ATOM 0 H LEU A 14 0.463 -3.626 -13.555 1.00 0.00 H new ATOM 0 HA LEU A 14 1.612 -5.814 -12.126 1.00 0.00 H new ATOM 0 HB2 LEU A 14 2.356 -3.950 -14.306 1.00 0.00 H new ATOM 0 HB3 LEU A 14 3.706 -4.529 -13.350 1.00 0.00 H new ATOM 0 HG LEU A 14 2.723 -6.897 -13.766 1.00 0.00 H new ATOM 0 HD11 LEU A 14 1.481 -7.119 -15.880 1.00 0.00 H new ATOM 0 HD12 LEU A 14 0.567 -6.189 -14.669 1.00 0.00 H new ATOM 0 HD13 LEU A 14 1.386 -5.347 -16.005 1.00 0.00 H new ATOM 0 HD21 LEU A 14 3.943 -7.056 -15.907 1.00 0.00 H new ATOM 0 HD22 LEU A 14 3.953 -5.280 -16.025 1.00 0.00 H new ATOM 0 HD23 LEU A 14 4.835 -6.089 -14.708 1.00 0.00 H new ATOM 209 N LEU A 15 2.403 -2.750 -11.211 1.00 0.00 N ATOM 210 CA LEU A 15 3.026 -1.968 -10.144 1.00 0.00 C ATOM 211 C LEU A 15 2.309 -2.203 -8.817 1.00 0.00 C ATOM 212 O LEU A 15 2.940 -2.267 -7.761 1.00 0.00 O ATOM 213 CB LEU A 15 3.021 -0.476 -10.488 1.00 0.00 C ATOM 214 CG LEU A 15 4.394 0.125 -10.806 1.00 0.00 C ATOM 215 CD1 LEU A 15 4.608 0.207 -12.309 1.00 0.00 C ATOM 216 CD2 LEU A 15 4.536 1.500 -10.169 1.00 0.00 C ATOM 0 H LEU A 15 1.902 -2.195 -11.905 1.00 0.00 H new ATOM 0 HA LEU A 15 4.061 -2.297 -10.046 1.00 0.00 H new ATOM 0 HB2 LEU A 15 2.366 -0.319 -11.345 1.00 0.00 H new ATOM 0 HB3 LEU A 15 2.587 0.072 -9.651 1.00 0.00 H new ATOM 0 HG LEU A 15 5.159 -0.528 -10.387 1.00 0.00 H new ATOM 0 HD11 LEU A 15 5.589 0.636 -12.514 1.00 0.00 H new ATOM 0 HD12 LEU A 15 4.553 -0.793 -12.739 1.00 0.00 H new ATOM 0 HD13 LEU A 15 3.836 0.836 -12.753 1.00 0.00 H new ATOM 0 HD21 LEU A 15 5.517 1.911 -10.406 1.00 0.00 H new ATOM 0 HD22 LEU A 15 3.762 2.162 -10.557 1.00 0.00 H new ATOM 0 HD23 LEU A 15 4.430 1.413 -9.088 1.00 0.00 H new ATOM 228 N LEU A 16 0.984 -2.349 -8.887 1.00 0.00 N ATOM 229 CA LEU A 16 0.165 -2.593 -7.700 1.00 0.00 C ATOM 230 C LEU A 16 0.422 -3.996 -7.149 1.00 0.00 C ATOM 231 O LEU A 16 0.433 -4.198 -5.935 1.00 0.00 O ATOM 232 CB LEU A 16 -1.322 -2.422 -8.032 1.00 0.00 C ATOM 233 CG LEU A 16 -2.227 -2.094 -6.838 1.00 0.00 C ATOM 234 CD1 LEU A 16 -2.262 -0.595 -6.584 1.00 0.00 C ATOM 235 CD2 LEU A 16 -3.630 -2.630 -7.076 1.00 0.00 C ATOM 0 H LEU A 16 0.455 -2.302 -9.758 1.00 0.00 H new ATOM 0 HA LEU A 16 0.441 -1.864 -6.938 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -1.423 -1.628 -8.772 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -1.681 -3.340 -8.498 1.00 0.00 H new ATOM 0 HG LEU A 16 -1.817 -2.578 -5.952 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -2.910 -0.385 -5.733 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -1.254 -0.239 -6.370 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -2.647 -0.085 -7.467 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -4.261 -2.390 -6.220 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -4.047 -2.173 -7.974 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -3.589 -3.712 -7.205 1.00 0.00 H new ATOM 247 N LEU A 17 0.631 -4.957 -8.053 1.00 0.00 N ATOM 248 CA LEU A 17 0.899 -6.342 -7.664 1.00 0.00 C ATOM 249 C LEU A 17 2.264 -6.474 -6.987 1.00 0.00 C ATOM 250 O LEU A 17 2.390 -7.146 -5.961 1.00 0.00 O ATOM 251 CB LEU A 17 0.827 -7.265 -8.886 1.00 0.00 C ATOM 252 CG LEU A 17 -0.585 -7.598 -9.378 1.00 0.00 C ATOM 253 CD1 LEU A 17 -0.561 -7.973 -10.850 1.00 0.00 C ATOM 254 CD2 LEU A 17 -1.191 -8.726 -8.553 1.00 0.00 C ATOM 0 H LEU A 17 0.619 -4.800 -9.061 1.00 0.00 H new ATOM 0 HA LEU A 17 0.134 -6.640 -6.947 1.00 0.00 H new ATOM 0 HB2 LEU A 17 1.378 -6.800 -9.704 1.00 0.00 H new ATOM 0 HB3 LEU A 17 1.339 -8.197 -8.646 1.00 0.00 H new ATOM 0 HG LEU A 17 -1.207 -6.711 -9.256 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -1.572 -8.206 -11.183 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -0.171 -7.138 -11.432 1.00 0.00 H new ATOM 0 HD13 LEU A 17 0.078 -8.844 -10.993 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -2.194 -8.946 -8.919 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -0.568 -9.616 -8.641 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -1.245 -8.423 -7.507 1.00 0.00 H new ATOM 266 N VAL A 18 3.282 -5.823 -7.562 1.00 0.00 N ATOM 267 CA VAL A 18 4.640 -5.867 -7.008 1.00 0.00 C ATOM 268 C VAL A 18 4.712 -5.146 -5.657 1.00 0.00 C ATOM 269 O VAL A 18 5.305 -5.658 -4.704 1.00 0.00 O ATOM 270 CB VAL A 18 5.676 -5.247 -7.982 1.00 0.00 C ATOM 271 CG1 VAL A 18 7.088 -5.331 -7.410 1.00 0.00 C ATOM 272 CG2 VAL A 18 5.620 -5.933 -9.341 1.00 0.00 C ATOM 0 H VAL A 18 3.192 -5.261 -8.408 1.00 0.00 H new ATOM 0 HA VAL A 18 4.886 -6.919 -6.863 1.00 0.00 H new ATOM 0 HB VAL A 18 5.419 -4.195 -8.111 1.00 0.00 H new ATOM 0 HG11 VAL A 18 7.793 -4.889 -8.114 1.00 0.00 H new ATOM 0 HG12 VAL A 18 7.131 -4.789 -6.465 1.00 0.00 H new ATOM 0 HG13 VAL A 18 7.351 -6.375 -7.241 1.00 0.00 H new ATOM 0 HG21 VAL A 18 6.355 -5.481 -10.007 1.00 0.00 H new ATOM 0 HG22 VAL A 18 5.841 -6.994 -9.222 1.00 0.00 H new ATOM 0 HG23 VAL A 18 4.624 -5.815 -9.767 1.00 0.00 H new ATOM 282 N VAL A 19 4.098 -3.961 -5.582 1.00 0.00 N ATOM 283 CA VAL A 19 4.090 -3.169 -4.348 1.00 0.00 C ATOM 284 C VAL A 19 3.277 -3.866 -3.252 1.00 0.00 C ATOM 285 O VAL A 19 3.666 -3.856 -2.079 1.00 0.00 O ATOM 286 CB VAL A 19 3.532 -1.743 -4.597 1.00 0.00 C ATOM 287 CG1 VAL A 19 3.404 -0.962 -3.294 1.00 0.00 C ATOM 288 CG2 VAL A 19 4.418 -0.985 -5.577 1.00 0.00 C ATOM 0 H VAL A 19 3.600 -3.529 -6.361 1.00 0.00 H new ATOM 0 HA VAL A 19 5.123 -3.080 -4.013 1.00 0.00 H new ATOM 0 HB VAL A 19 2.537 -1.848 -5.029 1.00 0.00 H new ATOM 0 HG11 VAL A 19 3.010 0.033 -3.503 1.00 0.00 H new ATOM 0 HG12 VAL A 19 2.726 -1.486 -2.621 1.00 0.00 H new ATOM 0 HG13 VAL A 19 4.384 -0.873 -2.825 1.00 0.00 H new ATOM 0 HG21 VAL A 19 4.010 0.013 -5.739 1.00 0.00 H new ATOM 0 HG22 VAL A 19 5.425 -0.904 -5.169 1.00 0.00 H new ATOM 0 HG23 VAL A 19 4.453 -1.521 -6.525 1.00 0.00 H new ATOM 298 N ALA A 20 2.154 -4.479 -3.643 1.00 0.00 N ATOM 299 CA ALA A 20 1.291 -5.190 -2.696 1.00 0.00 C ATOM 300 C ALA A 20 1.984 -6.437 -2.152 1.00 0.00 C ATOM 301 O ALA A 20 1.896 -6.736 -0.959 1.00 0.00 O ATOM 302 CB ALA A 20 -0.029 -5.563 -3.355 1.00 0.00 C ATOM 0 H ALA A 20 1.823 -4.496 -4.608 1.00 0.00 H new ATOM 0 HA ALA A 20 1.088 -4.522 -1.859 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -0.658 -6.090 -2.637 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -0.538 -4.658 -3.687 1.00 0.00 H new ATOM 0 HB3 ALA A 20 0.162 -6.208 -4.213 1.00 0.00 H new ATOM 308 N LEU A 21 2.679 -7.160 -3.037 1.00 0.00 N ATOM 309 CA LEU A 21 3.404 -8.370 -2.650 1.00 0.00 C ATOM 310 C LEU A 21 4.607 -8.021 -1.776 1.00 0.00 C ATOM 311 O LEU A 21 4.963 -8.772 -0.865 1.00 0.00 O ATOM 312 CB LEU A 21 3.864 -9.142 -3.891 1.00 0.00 C ATOM 313 CG LEU A 21 2.757 -9.868 -4.661 1.00 0.00 C ATOM 314 CD1 LEU A 21 3.169 -10.083 -6.110 1.00 0.00 C ATOM 315 CD2 LEU A 21 2.429 -11.203 -4.003 1.00 0.00 C ATOM 0 H LEU A 21 2.753 -6.926 -4.027 1.00 0.00 H new ATOM 0 HA LEU A 21 2.726 -9.001 -2.075 1.00 0.00 H new ATOM 0 HB2 LEU A 21 4.358 -8.446 -4.569 1.00 0.00 H new ATOM 0 HB3 LEU A 21 4.611 -9.874 -3.586 1.00 0.00 H new ATOM 0 HG LEU A 21 1.863 -9.244 -4.641 1.00 0.00 H new ATOM 0 HD11 LEU A 21 2.371 -10.600 -6.642 1.00 0.00 H new ATOM 0 HD12 LEU A 21 3.355 -9.118 -6.582 1.00 0.00 H new ATOM 0 HD13 LEU A 21 4.077 -10.685 -6.145 1.00 0.00 H new ATOM 0 HD21 LEU A 21 1.640 -11.702 -4.566 1.00 0.00 H new ATOM 0 HD22 LEU A 21 3.320 -11.831 -3.991 1.00 0.00 H new ATOM 0 HD23 LEU A 21 2.092 -11.032 -2.981 1.00 0.00 H new ATOM 327 N GLY A 22 5.225 -6.869 -2.061 1.00 0.00 N ATOM 328 CA GLY A 22 6.376 -6.421 -1.293 1.00 0.00 C ATOM 329 C GLY A 22 6.010 -6.062 0.136 1.00 0.00 C ATOM 330 O GLY A 22 6.598 -6.589 1.084 1.00 0.00 O ATOM 0 H GLY A 22 4.945 -6.239 -2.813 1.00 0.00 H new ATOM 0 HA2 GLY A 22 7.133 -7.205 -1.286 1.00 0.00 H new ATOM 0 HA3 GLY A 22 6.820 -5.553 -1.781 1.00 0.00 H new ATOM 334 N ILE A 23 5.027 -5.170 0.291 1.00 0.00 N ATOM 335 CA ILE A 23 4.574 -4.745 1.619 1.00 0.00 C ATOM 336 C ILE A 23 3.915 -5.909 2.362 1.00 0.00 C ATOM 337 O ILE A 23 4.056 -6.036 3.579 1.00 0.00 O ATOM 338 CB ILE A 23 3.578 -3.558 1.544 1.00 0.00 C ATOM 339 CG1 ILE A 23 4.129 -2.444 0.644 1.00 0.00 C ATOM 340 CG2 ILE A 23 3.290 -3.016 2.944 1.00 0.00 C ATOM 341 CD1 ILE A 23 3.060 -1.535 0.073 1.00 0.00 C ATOM 0 H ILE A 23 4.531 -4.729 -0.484 1.00 0.00 H new ATOM 0 HA ILE A 23 5.459 -4.414 2.162 1.00 0.00 H new ATOM 0 HB ILE A 23 2.646 -3.920 1.111 1.00 0.00 H new ATOM 0 HG12 ILE A 23 4.836 -1.843 1.216 1.00 0.00 H new ATOM 0 HG13 ILE A 23 4.686 -2.895 -0.177 1.00 0.00 H new ATOM 0 HG21 ILE A 23 2.590 -2.184 2.875 1.00 0.00 H new ATOM 0 HG22 ILE A 23 2.856 -3.805 3.558 1.00 0.00 H new ATOM 0 HG23 ILE A 23 4.219 -2.672 3.399 1.00 0.00 H new ATOM 0 HD11 ILE A 23 3.526 -0.773 -0.552 1.00 0.00 H new ATOM 0 HD12 ILE A 23 2.366 -2.122 -0.528 1.00 0.00 H new ATOM 0 HD13 ILE A 23 2.518 -1.054 0.887 1.00 0.00 H new ATOM 353 N GLY A 24 3.203 -6.760 1.617 1.00 0.00 N ATOM 354 CA GLY A 24 2.539 -7.909 2.215 1.00 0.00 C ATOM 355 C GLY A 24 3.522 -8.912 2.792 1.00 0.00 C ATOM 356 O GLY A 24 3.349 -9.380 3.919 1.00 0.00 O ATOM 0 H GLY A 24 3.076 -6.672 0.609 1.00 0.00 H new ATOM 0 HA2 GLY A 24 1.868 -7.567 3.003 1.00 0.00 H new ATOM 0 HA3 GLY A 24 1.922 -8.401 1.463 1.00 0.00 H new ATOM 360 N LEU A 25 4.564 -9.227 2.019 1.00 0.00 N ATOM 361 CA LEU A 25 5.591 -10.177 2.452 1.00 0.00 C ATOM 362 C LEU A 25 6.533 -9.547 3.478 1.00 0.00 C ATOM 363 O LEU A 25 7.147 -10.253 4.281 1.00 0.00 O ATOM 364 CB LEU A 25 6.395 -10.678 1.246 1.00 0.00 C ATOM 365 CG LEU A 25 5.643 -11.624 0.304 1.00 0.00 C ATOM 366 CD1 LEU A 25 6.224 -11.550 -1.100 1.00 0.00 C ATOM 367 CD2 LEU A 25 5.697 -13.054 0.826 1.00 0.00 C ATOM 0 H LEU A 25 4.719 -8.837 1.089 1.00 0.00 H new ATOM 0 HA LEU A 25 5.087 -11.020 2.924 1.00 0.00 H new ATOM 0 HB2 LEU A 25 6.734 -9.815 0.673 1.00 0.00 H new ATOM 0 HB3 LEU A 25 7.286 -11.188 1.611 1.00 0.00 H new ATOM 0 HG LEU A 25 4.600 -11.311 0.264 1.00 0.00 H new ATOM 0 HD11 LEU A 25 5.678 -12.228 -1.756 1.00 0.00 H new ATOM 0 HD12 LEU A 25 6.136 -10.531 -1.477 1.00 0.00 H new ATOM 0 HD13 LEU A 25 7.275 -11.838 -1.074 1.00 0.00 H new ATOM 0 HD21 LEU A 25 5.158 -13.711 0.144 1.00 0.00 H new ATOM 0 HD22 LEU A 25 6.736 -13.377 0.895 1.00 0.00 H new ATOM 0 HD23 LEU A 25 5.236 -13.099 1.813 1.00 0.00 H new ATOM 379 N PHE A 26 6.642 -8.216 3.448 1.00 0.00 N ATOM 380 CA PHE A 26 7.504 -7.487 4.379 1.00 0.00 C ATOM 381 C PHE A 26 6.853 -7.363 5.761 1.00 0.00 C ATOM 382 O PHE A 26 7.538 -7.433 6.783 1.00 0.00 O ATOM 383 CB PHE A 26 7.823 -6.096 3.825 1.00 0.00 C ATOM 384 CG PHE A 26 9.124 -5.528 4.324 1.00 0.00 C ATOM 385 CD1 PHE A 26 9.164 -4.764 5.479 1.00 0.00 C ATOM 386 CD2 PHE A 26 10.305 -5.759 3.637 1.00 0.00 C ATOM 387 CE1 PHE A 26 10.358 -4.240 5.939 1.00 0.00 C ATOM 388 CE2 PHE A 26 11.501 -5.238 4.092 1.00 0.00 C ATOM 389 CZ PHE A 26 11.527 -4.478 5.245 1.00 0.00 C ATOM 0 H PHE A 26 6.142 -7.621 2.787 1.00 0.00 H new ATOM 0 HA PHE A 26 8.430 -8.052 4.490 1.00 0.00 H new ATOM 0 HB2 PHE A 26 7.853 -6.147 2.737 1.00 0.00 H new ATOM 0 HB3 PHE A 26 7.014 -5.415 4.090 1.00 0.00 H new ATOM 0 HD1 PHE A 26 8.252 -4.576 6.026 1.00 0.00 H new ATOM 0 HD2 PHE A 26 10.290 -6.353 2.735 1.00 0.00 H new ATOM 0 HE1 PHE A 26 10.376 -3.645 6.840 1.00 0.00 H new ATOM 0 HE2 PHE A 26 12.414 -5.425 3.547 1.00 0.00 H new ATOM 0 HZ PHE A 26 12.461 -4.070 5.603 1.00 0.00 H new ATOM 399 N ILE A 27 5.531 -7.179 5.781 1.00 0.00 N ATOM 400 CA ILE A 27 4.785 -7.042 7.035 1.00 0.00 C ATOM 401 C ILE A 27 4.440 -8.411 7.630 1.00 0.00 C ATOM 402 O ILE A 27 4.451 -8.582 8.850 1.00 0.00 O ATOM 403 CB ILE A 27 3.483 -6.218 6.838 1.00 0.00 C ATOM 404 CG1 ILE A 27 3.789 -4.817 6.269 1.00 0.00 C ATOM 405 CG2 ILE A 27 2.700 -6.106 8.147 1.00 0.00 C ATOM 406 CD1 ILE A 27 4.739 -3.979 7.111 1.00 0.00 C ATOM 0 H ILE A 27 4.954 -7.121 4.942 1.00 0.00 H new ATOM 0 HA ILE A 27 5.433 -6.508 7.730 1.00 0.00 H new ATOM 0 HB ILE A 27 2.865 -6.749 6.114 1.00 0.00 H new ATOM 0 HG12 ILE A 27 4.214 -4.930 5.272 1.00 0.00 H new ATOM 0 HG13 ILE A 27 2.851 -4.274 6.156 1.00 0.00 H new ATOM 0 HG21 ILE A 27 1.793 -5.524 7.980 1.00 0.00 H new ATOM 0 HG22 ILE A 27 2.432 -7.103 8.497 1.00 0.00 H new ATOM 0 HG23 ILE A 27 3.316 -5.611 8.898 1.00 0.00 H new ATOM 0 HD11 ILE A 27 4.894 -3.012 6.632 1.00 0.00 H new ATOM 0 HD12 ILE A 27 4.310 -3.828 8.102 1.00 0.00 H new ATOM 0 HD13 ILE A 27 5.695 -4.495 7.204 1.00 0.00 H new ATOM 418 N ARG A 28 4.132 -9.381 6.763 1.00 0.00 N ATOM 419 CA ARG A 28 3.783 -10.735 7.207 1.00 0.00 C ATOM 420 C ARG A 28 4.982 -11.450 7.830 1.00 0.00 C ATOM 421 O ARG A 28 4.819 -12.305 8.703 1.00 0.00 O ATOM 422 CB ARG A 28 3.238 -11.558 6.036 1.00 0.00 C ATOM 423 CG ARG A 28 1.780 -11.269 5.709 1.00 0.00 C ATOM 424 CD ARG A 28 0.836 -12.142 6.523 1.00 0.00 C ATOM 425 NE ARG A 28 -0.567 -11.871 6.214 1.00 0.00 N ATOM 426 CZ ARG A 28 -1.594 -12.498 6.790 1.00 0.00 C ATOM 427 NH1 ARG A 28 -1.385 -13.435 7.709 1.00 0.00 N ATOM 428 NH2 ARG A 28 -2.836 -12.185 6.446 1.00 0.00 N ATOM 0 H ARG A 28 4.117 -9.254 5.751 1.00 0.00 H new ATOM 0 HA ARG A 28 3.011 -10.640 7.971 1.00 0.00 H new ATOM 0 HB2 ARG A 28 3.845 -11.361 5.152 1.00 0.00 H new ATOM 0 HB3 ARG A 28 3.346 -12.618 6.267 1.00 0.00 H new ATOM 0 HG2 ARG A 28 1.564 -10.219 5.905 1.00 0.00 H new ATOM 0 HG3 ARG A 28 1.605 -11.437 4.646 1.00 0.00 H new ATOM 0 HD2 ARG A 28 1.054 -13.192 6.327 1.00 0.00 H new ATOM 0 HD3 ARG A 28 1.012 -11.973 7.585 1.00 0.00 H new ATOM 0 HE ARG A 28 -0.773 -11.158 5.514 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -0.433 -13.680 7.980 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -2.177 -13.909 8.144 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -3.004 -11.466 5.742 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -3.623 -12.663 6.885 1.00 0.00 H new ATOM 442 N ARG A 29 6.185 -11.093 7.375 1.00 0.00 N ATOM 443 CA ARG A 29 7.419 -11.695 7.887 1.00 0.00 C ATOM 444 C ARG A 29 7.863 -11.036 9.194 1.00 0.00 C ATOM 445 O ARG A 29 8.664 -11.602 9.941 1.00 0.00 O ATOM 446 CB ARG A 29 8.535 -11.586 6.844 1.00 0.00 C ATOM 447 CG ARG A 29 8.429 -12.615 5.729 1.00 0.00 C ATOM 448 CD ARG A 29 9.546 -12.450 4.711 1.00 0.00 C ATOM 449 NE ARG A 29 9.453 -13.432 3.632 1.00 0.00 N ATOM 450 CZ ARG A 29 10.256 -13.451 2.566 1.00 0.00 C ATOM 451 NH1 ARG A 29 11.217 -12.545 2.430 1.00 0.00 N ATOM 452 NH2 ARG A 29 10.098 -14.382 1.636 1.00 0.00 N ATOM 0 H ARG A 29 6.331 -10.389 6.652 1.00 0.00 H new ATOM 0 HA ARG A 29 7.215 -12.746 8.090 1.00 0.00 H new ATOM 0 HB2 ARG A 29 8.517 -10.587 6.408 1.00 0.00 H new ATOM 0 HB3 ARG A 29 9.498 -11.700 7.341 1.00 0.00 H new ATOM 0 HG2 ARG A 29 8.467 -13.618 6.153 1.00 0.00 H new ATOM 0 HG3 ARG A 29 7.464 -12.516 5.231 1.00 0.00 H new ATOM 0 HD2 ARG A 29 9.508 -11.445 4.291 1.00 0.00 H new ATOM 0 HD3 ARG A 29 10.510 -12.550 5.211 1.00 0.00 H new ATOM 0 HE ARG A 29 8.729 -14.148 3.698 1.00 0.00 H new ATOM 0 HH11 ARG A 29 11.346 -11.827 3.143 1.00 0.00 H new ATOM 0 HH12 ARG A 29 11.826 -12.567 1.612 1.00 0.00 H new ATOM 0 HH21 ARG A 29 9.363 -15.083 1.735 1.00 0.00 H new ATOM 0 HH22 ARG A 29 10.711 -14.398 0.821 1.00 0.00 H new ATOM 466 N ARG A 30 7.338 -9.838 9.461 1.00 0.00 N ATOM 467 CA ARG A 30 7.679 -9.094 10.676 1.00 0.00 C ATOM 468 C ARG A 30 6.806 -9.518 11.857 1.00 0.00 C ATOM 469 O ARG A 30 7.180 -9.322 13.015 1.00 0.00 O ATOM 470 CB ARG A 30 7.531 -7.589 10.436 1.00 0.00 C ATOM 471 CG ARG A 30 8.658 -6.988 9.609 1.00 0.00 C ATOM 472 CD ARG A 30 8.462 -5.495 9.398 1.00 0.00 C ATOM 473 NE ARG A 30 8.758 -4.723 10.606 1.00 0.00 N ATOM 474 CZ ARG A 30 8.665 -3.394 10.688 1.00 0.00 C ATOM 475 NH1 ARG A 30 8.284 -2.678 9.635 1.00 0.00 N ATOM 476 NH2 ARG A 30 8.953 -2.780 11.825 1.00 0.00 N ATOM 0 H ARG A 30 6.674 -9.362 8.851 1.00 0.00 H new ATOM 0 HA ARG A 30 8.716 -9.322 10.922 1.00 0.00 H new ATOM 0 HB2 ARG A 30 6.583 -7.402 9.932 1.00 0.00 H new ATOM 0 HB3 ARG A 30 7.487 -7.079 11.398 1.00 0.00 H new ATOM 0 HG2 ARG A 30 9.611 -7.164 10.109 1.00 0.00 H new ATOM 0 HG3 ARG A 30 8.708 -7.489 8.642 1.00 0.00 H new ATOM 0 HD2 ARG A 30 9.106 -5.157 8.586 1.00 0.00 H new ATOM 0 HD3 ARG A 30 7.434 -5.305 9.090 1.00 0.00 H new ATOM 0 HE ARG A 30 9.054 -5.233 11.438 1.00 0.00 H new ATOM 0 HH11 ARG A 30 8.060 -3.144 8.756 1.00 0.00 H new ATOM 0 HH12 ARG A 30 8.216 -1.663 9.706 1.00 0.00 H new ATOM 0 HH21 ARG A 30 9.246 -3.323 12.638 1.00 0.00 H new ATOM 0 HH22 ARG A 30 8.882 -1.764 11.888 1.00 0.00 H new ATOM 490 N HIS A 31 5.642 -10.099 11.557 1.00 0.00 N ATOM 491 CA HIS A 31 4.710 -10.552 12.593 1.00 0.00 C ATOM 492 C HIS A 31 5.106 -11.924 13.142 1.00 0.00 C ATOM 493 O HIS A 31 4.631 -12.335 14.202 1.00 0.00 O ATOM 494 CB HIS A 31 3.286 -10.605 12.038 1.00 0.00 C ATOM 495 CG HIS A 31 2.590 -9.279 12.050 1.00 0.00 C ATOM 496 ND1 HIS A 31 2.475 -8.477 10.933 1.00 0.00 N ATOM 497 CD2 HIS A 31 1.968 -8.616 13.053 1.00 0.00 C ATOM 498 CE1 HIS A 31 1.814 -7.379 11.250 1.00 0.00 C ATOM 499 NE2 HIS A 31 1.495 -7.438 12.530 1.00 0.00 N ATOM 0 H HIS A 31 5.322 -10.267 10.603 1.00 0.00 H new ATOM 0 HA HIS A 31 4.752 -9.835 13.413 1.00 0.00 H new ATOM 0 HB2 HIS A 31 3.317 -10.981 11.015 1.00 0.00 H new ATOM 0 HB3 HIS A 31 2.703 -11.317 12.622 1.00 0.00 H new ATOM 0 HD1 HIS A 31 2.843 -8.698 10.008 1.00 0.00 H new ATOM 0 HD2 HIS A 31 1.863 -8.951 14.074 1.00 0.00 H new ATOM 0 HE1 HIS A 31 1.575 -6.569 10.576 1.00 0.00 H new ATOM 508 N ILE A 32 5.979 -12.626 12.414 1.00 0.00 N ATOM 509 CA ILE A 32 6.444 -13.952 12.825 1.00 0.00 C ATOM 510 C ILE A 32 7.598 -13.842 13.828 1.00 0.00 C ATOM 511 O ILE A 32 7.982 -14.833 14.454 1.00 0.00 O ATOM 512 CB ILE A 32 6.902 -14.805 11.610 1.00 0.00 C ATOM 513 CG1 ILE A 32 5.989 -14.579 10.387 1.00 0.00 C ATOM 514 CG2 ILE A 32 6.953 -16.287 11.976 1.00 0.00 C ATOM 515 CD1 ILE A 32 4.516 -14.864 10.629 1.00 0.00 C ATOM 0 H ILE A 32 6.378 -12.296 11.535 1.00 0.00 H new ATOM 0 HA ILE A 32 5.597 -14.449 13.299 1.00 0.00 H new ATOM 0 HB ILE A 32 7.907 -14.481 11.340 1.00 0.00 H new ATOM 0 HG12 ILE A 32 6.095 -13.545 10.058 1.00 0.00 H new ATOM 0 HG13 ILE A 32 6.337 -15.211 9.570 1.00 0.00 H new ATOM 0 HG21 ILE A 32 7.276 -16.865 11.110 1.00 0.00 H new ATOM 0 HG22 ILE A 32 7.657 -16.436 12.795 1.00 0.00 H new ATOM 0 HG23 ILE A 32 5.962 -16.620 12.285 1.00 0.00 H new ATOM 0 HD11 ILE A 32 3.954 -14.677 9.714 1.00 0.00 H new ATOM 0 HD12 ILE A 32 4.391 -15.905 10.926 1.00 0.00 H new ATOM 0 HD13 ILE A 32 4.145 -14.214 11.421 1.00 0.00 H new ATOM 627 N LEU A 38 1.942 -8.579 23.168 1.00 0.00 N ATOM 628 CA LEU A 38 1.341 -7.278 22.898 1.00 0.00 C ATOM 629 C LEU A 38 -0.179 -7.388 22.880 1.00 0.00 C ATOM 630 O LEU A 38 -0.871 -6.504 23.361 1.00 0.00 O ATOM 631 CB LEU A 38 1.851 -6.700 21.570 1.00 0.00 C ATOM 632 CG LEU A 38 2.470 -5.291 21.643 1.00 0.00 C ATOM 633 CD1 LEU A 38 1.533 -4.309 22.342 1.00 0.00 C ATOM 634 CD2 LEU A 38 3.822 -5.331 22.343 1.00 0.00 C ATOM 0 HA LEU A 38 1.634 -6.598 23.698 1.00 0.00 H new ATOM 0 HB2 LEU A 38 2.596 -7.382 21.161 1.00 0.00 H new ATOM 0 HB3 LEU A 38 1.021 -6.675 20.864 1.00 0.00 H new ATOM 0 HG LEU A 38 2.620 -4.942 20.621 1.00 0.00 H new ATOM 0 HD11 LEU A 38 1.999 -3.324 22.377 1.00 0.00 H new ATOM 0 HD12 LEU A 38 0.594 -4.247 21.791 1.00 0.00 H new ATOM 0 HD13 LEU A 38 1.336 -4.654 23.357 1.00 0.00 H new ATOM 0 HD21 LEU A 38 4.241 -4.325 22.383 1.00 0.00 H new ATOM 0 HD22 LEU A 38 3.696 -5.712 23.356 1.00 0.00 H new ATOM 0 HD23 LEU A 38 4.498 -5.984 21.791 1.00 0.00 H new ATOM 646 N ARG A 39 -0.670 -8.492 22.314 1.00 0.00 N ATOM 647 CA ARG A 39 -2.097 -8.788 22.234 1.00 0.00 C ATOM 648 C ARG A 39 -2.630 -9.031 23.631 1.00 0.00 C ATOM 649 O ARG A 39 -3.800 -8.782 23.918 1.00 0.00 O ATOM 650 CB ARG A 39 -2.346 -10.015 21.351 1.00 0.00 C ATOM 651 CG ARG A 39 -2.156 -9.749 19.865 1.00 0.00 C ATOM 652 CD ARG A 39 -2.414 -10.998 19.038 1.00 0.00 C ATOM 653 NE ARG A 39 -2.233 -10.754 17.607 1.00 0.00 N ATOM 654 CZ ARG A 39 -2.400 -11.683 16.664 1.00 0.00 C ATOM 655 NH1 ARG A 39 -2.755 -12.921 16.989 1.00 0.00 N ATOM 656 NH2 ARG A 39 -2.214 -11.370 15.388 1.00 0.00 N ATOM 0 H ARG A 39 -0.080 -9.211 21.895 1.00 0.00 H new ATOM 0 HA ARG A 39 -2.615 -7.940 21.786 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -1.671 -10.815 21.657 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -3.362 -10.373 21.520 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -2.832 -8.955 19.547 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -1.141 -9.395 19.685 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -1.739 -11.791 19.359 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -3.429 -11.350 19.220 1.00 0.00 H new ATOM 0 HE ARG A 39 -1.962 -9.816 17.312 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -2.903 -13.169 17.967 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -2.880 -13.624 16.260 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -1.944 -10.421 15.130 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -2.341 -12.079 14.665 1.00 0.00 H new ATOM 670 N ARG A 40 -1.747 -9.533 24.500 1.00 0.00 N ATOM 671 CA ARG A 40 -2.095 -9.746 25.897 1.00 0.00 C ATOM 672 C ARG A 40 -2.232 -8.372 26.533 1.00 0.00 C ATOM 673 O ARG A 40 -2.812 -8.202 27.606 1.00 0.00 O ATOM 674 CB ARG A 40 -1.021 -10.568 26.615 1.00 0.00 C ATOM 675 CG ARG A 40 -1.054 -12.049 26.269 1.00 0.00 C ATOM 676 CD ARG A 40 0.029 -12.818 27.008 1.00 0.00 C ATOM 677 NE ARG A 40 0.010 -14.243 26.683 1.00 0.00 N ATOM 678 CZ ARG A 40 0.854 -15.140 27.196 1.00 0.00 C ATOM 679 NH1 ARG A 40 1.792 -14.767 28.061 1.00 0.00 N ATOM 680 NH2 ARG A 40 0.760 -16.414 26.842 1.00 0.00 N ATOM 0 H ARG A 40 -0.792 -9.796 24.257 1.00 0.00 H new ATOM 0 HA ARG A 40 -3.026 -10.308 25.976 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -0.039 -10.167 26.363 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -1.146 -10.452 27.692 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -2.031 -12.461 26.522 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -0.923 -12.176 25.194 1.00 0.00 H new ATOM 0 HD2 ARG A 40 1.005 -12.402 26.756 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -0.105 -12.690 28.082 1.00 0.00 H new ATOM 0 HE ARG A 40 -0.693 -14.573 26.022 1.00 0.00 H new ATOM 0 HH11 ARG A 40 1.871 -13.788 28.337 1.00 0.00 H new ATOM 0 HH12 ARG A 40 2.433 -15.459 28.448 1.00 0.00 H new ATOM 0 HH21 ARG A 40 0.043 -16.707 26.178 1.00 0.00 H new ATOM 0 HH22 ARG A 40 1.405 -17.101 27.233 1.00 0.00 H new ATOM 694 N LEU A 41 -1.646 -7.401 25.830 1.00 0.00 N ATOM 695 CA LEU A 41 -1.680 -6.007 26.209 1.00 0.00 C ATOM 696 C LEU A 41 -2.517 -5.209 25.206 1.00 0.00 C ATOM 697 O LEU A 41 -3.079 -4.170 25.555 1.00 0.00 O ATOM 698 CB LEU A 41 -0.259 -5.430 26.274 1.00 0.00 C ATOM 699 CG LEU A 41 0.661 -6.055 27.334 1.00 0.00 C ATOM 700 CD1 LEU A 41 2.117 -5.729 27.035 1.00 0.00 C ATOM 701 CD2 LEU A 41 0.286 -5.579 28.732 1.00 0.00 C ATOM 0 H LEU A 41 -1.128 -7.575 24.968 1.00 0.00 H new ATOM 0 HA LEU A 41 -2.134 -5.931 27.197 1.00 0.00 H new ATOM 0 HB2 LEU A 41 0.208 -5.550 25.296 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -0.329 -4.359 26.465 1.00 0.00 H new ATOM 0 HG LEU A 41 0.531 -7.137 27.298 1.00 0.00 H new ATOM 0 HD11 LEU A 41 2.754 -6.180 27.796 1.00 0.00 H new ATOM 0 HD12 LEU A 41 2.385 -6.126 26.056 1.00 0.00 H new ATOM 0 HD13 LEU A 41 2.256 -4.648 27.039 1.00 0.00 H new ATOM 0 HD21 LEU A 41 0.953 -6.036 29.463 1.00 0.00 H new ATOM 0 HD22 LEU A 41 0.380 -4.494 28.784 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -0.743 -5.865 28.950 1.00 0.00 H new ATOM 713 N LEU A 42 -2.596 -5.700 23.950 1.00 0.00 N ATOM 714 CA LEU A 42 -3.359 -5.000 22.911 1.00 0.00 C ATOM 715 C LEU A 42 -4.814 -5.464 22.867 1.00 0.00 C ATOM 716 O LEU A 42 -5.734 -4.647 22.929 1.00 0.00 O ATOM 717 CB LEU A 42 -2.706 -5.193 21.534 1.00 0.00 C ATOM 718 CG LEU A 42 -2.884 -4.031 20.551 1.00 0.00 C ATOM 719 CD1 LEU A 42 -1.698 -3.948 19.603 1.00 0.00 C ATOM 720 CD2 LEU A 42 -4.179 -4.188 19.765 1.00 0.00 C ATOM 0 H LEU A 42 -2.148 -6.563 23.641 1.00 0.00 H new ATOM 0 HA LEU A 42 -3.351 -3.940 23.165 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -1.639 -5.364 21.678 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -3.115 -6.096 21.080 1.00 0.00 H new ATOM 0 HG LEU A 42 -2.937 -3.105 21.123 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -1.842 -3.117 18.912 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -0.784 -3.789 20.176 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -1.616 -4.878 19.040 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -4.288 -3.353 19.072 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -4.154 -5.123 19.205 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -5.024 -4.200 20.454 1.00 0.00 H new ATOM 1049 N ILE B 62 0.149 9.185 -29.415 1.00 0.00 N ATOM 1050 CA ILE B 62 0.654 9.320 -28.050 1.00 0.00 C ATOM 1051 C ILE B 62 1.657 8.212 -27.718 1.00 0.00 C ATOM 1052 O ILE B 62 1.522 7.087 -28.202 1.00 0.00 O ATOM 1053 CB ILE B 62 -0.489 9.308 -27.005 1.00 0.00 C ATOM 1054 CG1 ILE B 62 -1.535 8.229 -27.330 1.00 0.00 C ATOM 1055 CG2 ILE B 62 -1.148 10.678 -26.928 1.00 0.00 C ATOM 1056 CD1 ILE B 62 -1.290 6.914 -26.622 1.00 0.00 C ATOM 0 HA ILE B 62 1.156 10.286 -28.000 1.00 0.00 H new ATOM 0 HB ILE B 62 -0.053 9.069 -26.035 1.00 0.00 H new ATOM 0 HG12 ILE B 62 -2.523 8.600 -27.058 1.00 0.00 H new ATOM 0 HG13 ILE B 62 -1.544 8.056 -28.406 1.00 0.00 H new ATOM 0 HG21 ILE B 62 -1.950 10.655 -26.190 1.00 0.00 H new ATOM 0 HG22 ILE B 62 -0.407 11.422 -26.636 1.00 0.00 H new ATOM 0 HG23 ILE B 62 -1.560 10.939 -27.903 1.00 0.00 H new ATOM 0 HD11 ILE B 62 -2.067 6.201 -26.899 1.00 0.00 H new ATOM 0 HD12 ILE B 62 -0.316 6.520 -26.913 1.00 0.00 H new ATOM 0 HD13 ILE B 62 -1.310 7.072 -25.544 1.00 0.00 H new ATOM 1068 N PRO B 63 2.680 8.518 -26.884 1.00 0.00 N ATOM 1069 CA PRO B 63 3.705 7.536 -26.491 1.00 0.00 C ATOM 1070 C PRO B 63 3.154 6.437 -25.583 1.00 0.00 C ATOM 1071 O PRO B 63 2.323 6.699 -24.711 1.00 0.00 O ATOM 1072 CB PRO B 63 4.740 8.382 -25.741 1.00 0.00 C ATOM 1073 CG PRO B 63 3.996 9.578 -25.255 1.00 0.00 C ATOM 1074 CD PRO B 63 2.921 9.844 -26.271 1.00 0.00 C ATOM 0 HA PRO B 63 4.108 7.008 -27.355 1.00 0.00 H new ATOM 0 HB2 PRO B 63 5.175 7.826 -24.911 1.00 0.00 H new ATOM 0 HB3 PRO B 63 5.562 8.670 -26.397 1.00 0.00 H new ATOM 0 HG2 PRO B 63 3.565 9.395 -24.271 1.00 0.00 H new ATOM 0 HG3 PRO B 63 4.660 10.437 -25.157 1.00 0.00 H new ATOM 0 HD2 PRO B 63 2.019 10.239 -25.805 1.00 0.00 H new ATOM 0 HD3 PRO B 63 3.243 10.575 -27.012 1.00 0.00 H new ATOM 1082 N SER B 64 3.626 5.208 -25.798 1.00 0.00 N ATOM 1083 CA SER B 64 3.188 4.056 -25.007 1.00 0.00 C ATOM 1084 C SER B 64 3.916 3.990 -23.661 1.00 0.00 C ATOM 1085 O SER B 64 3.578 3.171 -22.804 1.00 0.00 O ATOM 1086 CB SER B 64 3.421 2.762 -25.789 1.00 0.00 C ATOM 1087 OG SER B 64 2.697 2.765 -27.007 1.00 0.00 O ATOM 0 H SER B 64 4.315 4.984 -26.516 1.00 0.00 H new ATOM 0 HA SER B 64 2.123 4.174 -24.809 1.00 0.00 H new ATOM 0 HB2 SER B 64 4.485 2.644 -25.995 1.00 0.00 H new ATOM 0 HB3 SER B 64 3.117 1.908 -25.184 1.00 0.00 H new ATOM 0 HG SER B 64 3.090 2.112 -27.623 1.00 0.00 H new ATOM 1093 N ILE B 65 4.913 4.860 -23.486 1.00 0.00 N ATOM 1094 CA ILE B 65 5.695 4.906 -22.247 1.00 0.00 C ATOM 1095 C ILE B 65 4.978 5.729 -21.173 1.00 0.00 C ATOM 1096 O ILE B 65 5.088 5.436 -19.982 1.00 0.00 O ATOM 1097 CB ILE B 65 7.111 5.494 -22.482 1.00 0.00 C ATOM 1098 CG1 ILE B 65 7.737 4.922 -23.760 1.00 0.00 C ATOM 1099 CG2 ILE B 65 8.017 5.216 -21.289 1.00 0.00 C ATOM 1100 CD1 ILE B 65 7.572 5.817 -24.970 1.00 0.00 C ATOM 0 H ILE B 65 5.199 5.543 -24.187 1.00 0.00 H new ATOM 0 HA ILE B 65 5.798 3.877 -21.904 1.00 0.00 H new ATOM 0 HB ILE B 65 7.007 6.573 -22.599 1.00 0.00 H new ATOM 0 HG12 ILE B 65 8.800 4.750 -23.588 1.00 0.00 H new ATOM 0 HG13 ILE B 65 7.287 3.952 -23.972 1.00 0.00 H new ATOM 0 HG21 ILE B 65 9.005 5.637 -21.476 1.00 0.00 H new ATOM 0 HG22 ILE B 65 7.591 5.672 -20.395 1.00 0.00 H new ATOM 0 HG23 ILE B 65 8.104 4.140 -21.141 1.00 0.00 H new ATOM 0 HD11 ILE B 65 8.039 5.348 -25.836 1.00 0.00 H new ATOM 0 HD12 ILE B 65 6.511 5.969 -25.168 1.00 0.00 H new ATOM 0 HD13 ILE B 65 8.047 6.779 -24.778 1.00 0.00 H new ATOM 1112 N ALA B 66 4.246 6.758 -21.607 1.00 0.00 N ATOM 1113 CA ALA B 66 3.512 7.629 -20.690 1.00 0.00 C ATOM 1114 C ALA B 66 2.151 7.038 -20.323 1.00 0.00 C ATOM 1115 O ALA B 66 1.611 7.324 -19.251 1.00 0.00 O ATOM 1116 CB ALA B 66 3.336 9.009 -21.306 1.00 0.00 C ATOM 0 H ALA B 66 4.147 7.008 -22.591 1.00 0.00 H new ATOM 0 HA ALA B 66 4.096 7.716 -19.773 1.00 0.00 H new ATOM 0 HB1 ALA B 66 2.788 9.649 -20.614 1.00 0.00 H new ATOM 0 HB2 ALA B 66 4.314 9.445 -21.507 1.00 0.00 H new ATOM 0 HB3 ALA B 66 2.779 8.923 -22.239 1.00 0.00 H new ATOM 1122 N THR B 67 1.608 6.205 -21.215 1.00 0.00 N ATOM 1123 CA THR B 67 0.306 5.567 -21.000 1.00 0.00 C ATOM 1124 C THR B 67 0.337 4.621 -19.794 1.00 0.00 C ATOM 1125 O THR B 67 -0.665 4.470 -19.090 1.00 0.00 O ATOM 1126 CB THR B 67 -0.144 4.783 -22.249 1.00 0.00 C ATOM 1127 OG1 THR B 67 0.298 5.452 -23.438 1.00 0.00 O ATOM 1128 CG2 THR B 67 -1.660 4.635 -22.290 1.00 0.00 C ATOM 0 H THR B 67 2.053 5.955 -22.098 1.00 0.00 H new ATOM 0 HA THR B 67 -0.408 6.367 -20.803 1.00 0.00 H new ATOM 0 HB THR B 67 0.303 3.790 -22.197 1.00 0.00 H new ATOM 0 HG1 THR B 67 0.009 4.945 -24.225 1.00 0.00 H new ATOM 0 HG21 THR B 67 -1.947 4.078 -23.182 1.00 0.00 H new ATOM 0 HG22 THR B 67 -1.997 4.099 -21.403 1.00 0.00 H new ATOM 0 HG23 THR B 67 -2.121 5.622 -22.315 1.00 0.00 H new ATOM 1136 N GLY B 68 1.489 3.988 -19.568 1.00 0.00 N ATOM 1137 CA GLY B 68 1.638 3.073 -18.444 1.00 0.00 C ATOM 1138 C GLY B 68 1.931 3.800 -17.143 1.00 0.00 C ATOM 1139 O GLY B 68 1.383 3.458 -16.088 1.00 0.00 O ATOM 0 H GLY B 68 2.324 4.093 -20.145 1.00 0.00 H new ATOM 0 HA2 GLY B 68 0.726 2.487 -18.332 1.00 0.00 H new ATOM 0 HA3 GLY B 68 2.445 2.371 -18.655 1.00 0.00 H new ATOM 1143 N LEU B 69 2.789 4.819 -17.230 1.00 0.00 N ATOM 1144 CA LEU B 69 3.174 5.615 -16.068 1.00 0.00 C ATOM 1145 C LEU B 69 1.971 6.338 -15.467 1.00 0.00 C ATOM 1146 O LEU B 69 1.799 6.359 -14.251 1.00 0.00 O ATOM 1147 CB LEU B 69 4.249 6.639 -16.452 1.00 0.00 C ATOM 1148 CG LEU B 69 5.610 6.050 -16.843 1.00 0.00 C ATOM 1149 CD1 LEU B 69 6.386 7.029 -17.709 1.00 0.00 C ATOM 1150 CD2 LEU B 69 6.418 5.687 -15.603 1.00 0.00 C ATOM 0 H LEU B 69 3.232 5.112 -18.101 1.00 0.00 H new ATOM 0 HA LEU B 69 3.576 4.932 -15.320 1.00 0.00 H new ATOM 0 HB2 LEU B 69 3.877 7.235 -17.285 1.00 0.00 H new ATOM 0 HB3 LEU B 69 4.394 7.320 -15.613 1.00 0.00 H new ATOM 0 HG LEU B 69 5.433 5.141 -17.417 1.00 0.00 H new ATOM 0 HD11 LEU B 69 7.349 6.594 -17.977 1.00 0.00 H new ATOM 0 HD12 LEU B 69 5.819 7.241 -18.616 1.00 0.00 H new ATOM 0 HD13 LEU B 69 6.547 7.955 -17.157 1.00 0.00 H new ATOM 0 HD21 LEU B 69 7.379 5.271 -15.904 1.00 0.00 H new ATOM 0 HD22 LEU B 69 6.582 6.581 -15.001 1.00 0.00 H new ATOM 0 HD23 LEU B 69 5.871 4.949 -15.016 1.00 0.00 H new ATOM 1162 N VAL B 70 1.134 6.920 -16.326 1.00 0.00 N ATOM 1163 CA VAL B 70 -0.051 7.651 -15.872 1.00 0.00 C ATOM 1164 C VAL B 70 -1.008 6.752 -15.089 1.00 0.00 C ATOM 1165 O VAL B 70 -1.554 7.154 -14.061 1.00 0.00 O ATOM 1166 CB VAL B 70 -0.799 8.326 -17.049 1.00 0.00 C ATOM 1167 CG1 VAL B 70 0.057 9.428 -17.656 1.00 0.00 C ATOM 1168 CG2 VAL B 70 -1.198 7.312 -18.119 1.00 0.00 C ATOM 0 H VAL B 70 1.254 6.900 -17.339 1.00 0.00 H new ATOM 0 HA VAL B 70 0.309 8.433 -15.203 1.00 0.00 H new ATOM 0 HB VAL B 70 -1.715 8.764 -16.652 1.00 0.00 H new ATOM 0 HG11 VAL B 70 -0.481 9.893 -18.482 1.00 0.00 H new ATOM 0 HG12 VAL B 70 0.276 10.179 -16.897 1.00 0.00 H new ATOM 0 HG13 VAL B 70 0.990 9.002 -18.025 1.00 0.00 H new ATOM 0 HG21 VAL B 70 -1.720 7.823 -18.928 1.00 0.00 H new ATOM 0 HG22 VAL B 70 -0.304 6.828 -18.513 1.00 0.00 H new ATOM 0 HG23 VAL B 70 -1.855 6.560 -17.681 1.00 0.00 H new ATOM 1178 N GLY B 71 -1.176 5.524 -15.569 1.00 0.00 N ATOM 1179 CA GLY B 71 -2.061 4.568 -14.917 1.00 0.00 C ATOM 1180 C GLY B 71 -1.547 4.120 -13.561 1.00 0.00 C ATOM 1181 O GLY B 71 -2.287 4.144 -12.573 1.00 0.00 O ATOM 0 H GLY B 71 -0.712 5.169 -16.405 1.00 0.00 H new ATOM 0 HA2 GLY B 71 -3.047 5.016 -14.796 1.00 0.00 H new ATOM 0 HA3 GLY B 71 -2.184 3.696 -15.560 1.00 0.00 H new ATOM 1185 N ALA B 72 -0.273 3.728 -13.509 1.00 0.00 N ATOM 1186 CA ALA B 72 0.334 3.253 -12.266 1.00 0.00 C ATOM 1187 C ALA B 72 0.610 4.380 -11.279 1.00 0.00 C ATOM 1188 O ALA B 72 0.358 4.234 -10.083 1.00 0.00 O ATOM 1189 CB ALA B 72 1.613 2.485 -12.562 1.00 0.00 C ATOM 0 H ALA B 72 0.357 3.730 -14.311 1.00 0.00 H new ATOM 0 HA ALA B 72 -0.388 2.587 -11.794 1.00 0.00 H new ATOM 0 HB1 ALA B 72 2.053 2.138 -11.627 1.00 0.00 H new ATOM 0 HB2 ALA B 72 1.384 1.628 -13.196 1.00 0.00 H new ATOM 0 HB3 ALA B 72 2.319 3.138 -13.075 1.00 0.00 H new ATOM 1195 N LEU B 73 1.126 5.503 -11.776 1.00 0.00 N ATOM 1196 CA LEU B 73 1.431 6.646 -10.920 1.00 0.00 C ATOM 1197 C LEU B 73 0.153 7.232 -10.318 1.00 0.00 C ATOM 1198 O LEU B 73 0.123 7.580 -9.135 1.00 0.00 O ATOM 1199 CB LEU B 73 2.204 7.710 -11.705 1.00 0.00 C ATOM 1200 CG LEU B 73 3.726 7.505 -11.762 1.00 0.00 C ATOM 1201 CD1 LEU B 73 4.087 6.253 -12.557 1.00 0.00 C ATOM 1202 CD2 LEU B 73 4.402 8.729 -12.363 1.00 0.00 C ATOM 0 H LEU B 73 1.341 5.645 -12.763 1.00 0.00 H new ATOM 0 HA LEU B 73 2.060 6.302 -10.099 1.00 0.00 H new ATOM 0 HB2 LEU B 73 1.819 7.738 -12.724 1.00 0.00 H new ATOM 0 HB3 LEU B 73 2.001 8.685 -11.261 1.00 0.00 H new ATOM 0 HG LEU B 73 4.086 7.369 -10.742 1.00 0.00 H new ATOM 0 HD11 LEU B 73 5.170 6.136 -12.579 1.00 0.00 H new ATOM 0 HD12 LEU B 73 3.637 5.380 -12.085 1.00 0.00 H new ATOM 0 HD13 LEU B 73 3.712 6.348 -13.576 1.00 0.00 H new ATOM 0 HD21 LEU B 73 5.480 8.569 -12.397 1.00 0.00 H new ATOM 0 HD22 LEU B 73 4.027 8.892 -13.373 1.00 0.00 H new ATOM 0 HD23 LEU B 73 4.184 9.603 -11.749 1.00 0.00 H new ATOM 1214 N LEU B 74 -0.906 7.322 -11.132 1.00 0.00 N ATOM 1215 CA LEU B 74 -2.187 7.847 -10.659 1.00 0.00 C ATOM 1216 C LEU B 74 -2.855 6.868 -9.699 1.00 0.00 C ATOM 1217 O LEU B 74 -3.423 7.275 -8.682 1.00 0.00 O ATOM 1218 CB LEU B 74 -3.119 8.152 -11.838 1.00 0.00 C ATOM 1219 CG LEU B 74 -3.157 9.619 -12.279 1.00 0.00 C ATOM 1220 CD1 LEU B 74 -1.929 9.969 -13.108 1.00 0.00 C ATOM 1221 CD2 LEU B 74 -4.429 9.904 -13.064 1.00 0.00 C ATOM 0 H LEU B 74 -0.899 7.040 -12.112 1.00 0.00 H new ATOM 0 HA LEU B 74 -1.990 8.776 -10.123 1.00 0.00 H new ATOM 0 HB2 LEU B 74 -2.814 7.542 -12.688 1.00 0.00 H new ATOM 0 HB3 LEU B 74 -4.130 7.844 -11.570 1.00 0.00 H new ATOM 0 HG LEU B 74 -3.152 10.244 -11.386 1.00 0.00 H new ATOM 0 HD11 LEU B 74 -1.979 11.015 -13.409 1.00 0.00 H new ATOM 0 HD12 LEU B 74 -1.030 9.805 -12.514 1.00 0.00 H new ATOM 0 HD13 LEU B 74 -1.897 9.337 -13.996 1.00 0.00 H new ATOM 0 HD21 LEU B 74 -4.441 10.950 -13.370 1.00 0.00 H new ATOM 0 HD22 LEU B 74 -4.462 9.267 -13.948 1.00 0.00 H new ATOM 0 HD23 LEU B 74 -5.297 9.699 -12.437 1.00 0.00 H new ATOM 1233 N LEU B 75 -2.764 5.574 -10.015 1.00 0.00 N ATOM 1234 CA LEU B 75 -3.356 4.537 -9.170 1.00 0.00 C ATOM 1235 C LEU B 75 -2.593 4.421 -7.853 1.00 0.00 C ATOM 1236 O LEU B 75 -3.188 4.203 -6.796 1.00 0.00 O ATOM 1237 CB LEU B 75 -3.368 3.187 -9.893 1.00 0.00 C ATOM 1238 CG LEU B 75 -4.752 2.684 -10.309 1.00 0.00 C ATOM 1239 CD1 LEU B 75 -5.017 2.997 -11.774 1.00 0.00 C ATOM 1240 CD2 LEU B 75 -4.880 1.189 -10.051 1.00 0.00 C ATOM 0 H LEU B 75 -2.288 5.222 -10.846 1.00 0.00 H new ATOM 0 HA LEU B 75 -4.386 4.822 -8.955 1.00 0.00 H new ATOM 0 HB2 LEU B 75 -2.744 3.264 -10.783 1.00 0.00 H new ATOM 0 HB3 LEU B 75 -2.908 2.441 -9.245 1.00 0.00 H new ATOM 0 HG LEU B 75 -5.499 3.201 -9.706 1.00 0.00 H new ATOM 0 HD11 LEU B 75 -6.006 2.632 -12.051 1.00 0.00 H new ATOM 0 HD12 LEU B 75 -4.972 4.075 -11.930 1.00 0.00 H new ATOM 0 HD13 LEU B 75 -4.264 2.509 -12.392 1.00 0.00 H new ATOM 0 HD21 LEU B 75 -5.871 0.851 -10.353 1.00 0.00 H new ATOM 0 HD22 LEU B 75 -4.123 0.655 -10.626 1.00 0.00 H new ATOM 0 HD23 LEU B 75 -4.737 0.990 -8.989 1.00 0.00 H new ATOM 1252 N LEU B 76 -1.269 4.586 -7.927 1.00 0.00 N ATOM 1253 CA LEU B 76 -0.411 4.515 -6.744 1.00 0.00 C ATOM 1254 C LEU B 76 -0.642 5.723 -5.838 1.00 0.00 C ATOM 1255 O LEU B 76 -0.612 5.601 -4.613 1.00 0.00 O ATOM 1256 CB LEU B 76 1.063 4.443 -7.159 1.00 0.00 C ATOM 1257 CG LEU B 76 2.006 3.819 -6.124 1.00 0.00 C ATOM 1258 CD1 LEU B 76 2.044 2.305 -6.272 1.00 0.00 C ATOM 1259 CD2 LEU B 76 3.404 4.404 -6.260 1.00 0.00 C ATOM 0 H LEU B 76 -0.769 4.770 -8.797 1.00 0.00 H new ATOM 0 HA LEU B 76 -0.666 3.612 -6.190 1.00 0.00 H new ATOM 0 HB2 LEU B 76 1.135 3.870 -8.084 1.00 0.00 H new ATOM 0 HB3 LEU B 76 1.410 5.452 -7.381 1.00 0.00 H new ATOM 0 HG LEU B 76 1.627 4.054 -5.129 1.00 0.00 H new ATOM 0 HD11 LEU B 76 2.719 1.883 -5.528 1.00 0.00 H new ATOM 0 HD12 LEU B 76 1.043 1.900 -6.125 1.00 0.00 H new ATOM 0 HD13 LEU B 76 2.397 2.046 -7.270 1.00 0.00 H new ATOM 0 HD21 LEU B 76 4.062 3.951 -5.518 1.00 0.00 H new ATOM 0 HD22 LEU B 76 3.788 4.199 -7.259 1.00 0.00 H new ATOM 0 HD23 LEU B 76 3.365 5.481 -6.100 1.00 0.00 H new ATOM 1271 N LEU B 77 -0.879 6.887 -6.452 1.00 0.00 N ATOM 1272 CA LEU B 77 -1.126 8.120 -5.706 1.00 0.00 C ATOM 1273 C LEU B 77 -2.468 8.066 -4.973 1.00 0.00 C ATOM 1274 O LEU B 77 -2.556 8.446 -3.803 1.00 0.00 O ATOM 1275 CB LEU B 77 -1.092 9.332 -6.645 1.00 0.00 C ATOM 1276 CG LEU B 77 0.305 9.787 -7.079 1.00 0.00 C ATOM 1277 CD1 LEU B 77 0.234 10.534 -8.402 1.00 0.00 C ATOM 1278 CD2 LEU B 77 0.944 10.662 -6.010 1.00 0.00 C ATOM 0 H LEU B 77 -0.904 6.998 -7.466 1.00 0.00 H new ATOM 0 HA LEU B 77 -0.334 8.222 -4.964 1.00 0.00 H new ATOM 0 HB2 LEU B 77 -1.672 9.096 -7.537 1.00 0.00 H new ATOM 0 HB3 LEU B 77 -1.591 10.166 -6.152 1.00 0.00 H new ATOM 0 HG LEU B 77 0.926 8.901 -7.212 1.00 0.00 H new ATOM 0 HD11 LEU B 77 1.235 10.850 -8.696 1.00 0.00 H new ATOM 0 HD12 LEU B 77 -0.179 9.878 -9.168 1.00 0.00 H new ATOM 0 HD13 LEU B 77 -0.405 11.410 -8.291 1.00 0.00 H new ATOM 0 HD21 LEU B 77 1.935 10.974 -6.339 1.00 0.00 H new ATOM 0 HD22 LEU B 77 0.324 11.543 -5.842 1.00 0.00 H new ATOM 0 HD23 LEU B 77 1.031 10.097 -5.082 1.00 0.00 H new ATOM 1290 N VAL B 78 -3.507 7.581 -5.663 1.00 0.00 N ATOM 1291 CA VAL B 78 -4.847 7.474 -5.072 1.00 0.00 C ATOM 1292 C VAL B 78 -4.876 6.425 -3.954 1.00 0.00 C ATOM 1293 O VAL B 78 -5.434 6.667 -2.882 1.00 0.00 O ATOM 1294 CB VAL B 78 -5.916 7.125 -6.139 1.00 0.00 C ATOM 1295 CG1 VAL B 78 -7.307 7.051 -5.517 1.00 0.00 C ATOM 1296 CG2 VAL B 78 -5.902 8.144 -7.271 1.00 0.00 C ATOM 0 H VAL B 78 -3.447 7.257 -6.628 1.00 0.00 H new ATOM 0 HA VAL B 78 -5.085 8.450 -4.650 1.00 0.00 H new ATOM 0 HB VAL B 78 -5.669 6.145 -6.548 1.00 0.00 H new ATOM 0 HG11 VAL B 78 -8.038 6.805 -6.288 1.00 0.00 H new ATOM 0 HG12 VAL B 78 -7.320 6.281 -4.745 1.00 0.00 H new ATOM 0 HG13 VAL B 78 -7.559 8.014 -5.073 1.00 0.00 H new ATOM 0 HG21 VAL B 78 -6.660 7.879 -8.008 1.00 0.00 H new ATOM 0 HG22 VAL B 78 -6.115 9.135 -6.871 1.00 0.00 H new ATOM 0 HG23 VAL B 78 -4.921 8.148 -7.745 1.00 0.00 H new ATOM 1306 N VAL B 79 -4.266 5.264 -4.214 1.00 0.00 N ATOM 1307 CA VAL B 79 -4.218 4.176 -3.230 1.00 0.00 C ATOM 1308 C VAL B 79 -3.367 4.567 -2.016 1.00 0.00 C ATOM 1309 O VAL B 79 -3.717 4.250 -0.876 1.00 0.00 O ATOM 1310 CB VAL B 79 -3.676 2.867 -3.860 1.00 0.00 C ATOM 1311 CG1 VAL B 79 -3.508 1.775 -2.813 1.00 0.00 C ATOM 1312 CG2 VAL B 79 -4.596 2.389 -4.975 1.00 0.00 C ATOM 0 H VAL B 79 -3.799 5.053 -5.096 1.00 0.00 H new ATOM 0 HA VAL B 79 -5.240 3.998 -2.896 1.00 0.00 H new ATOM 0 HB VAL B 79 -2.694 3.085 -4.281 1.00 0.00 H new ATOM 0 HG11 VAL B 79 -3.127 0.871 -3.288 1.00 0.00 H new ATOM 0 HG12 VAL B 79 -2.805 2.108 -2.049 1.00 0.00 H new ATOM 0 HG13 VAL B 79 -4.472 1.563 -2.351 1.00 0.00 H new ATOM 0 HG21 VAL B 79 -4.199 1.469 -5.405 1.00 0.00 H new ATOM 0 HG22 VAL B 79 -5.591 2.201 -4.571 1.00 0.00 H new ATOM 0 HG23 VAL B 79 -4.658 3.154 -5.749 1.00 0.00 H new ATOM 1322 N ALA B 80 -2.254 5.267 -2.271 1.00 0.00 N ATOM 1323 CA ALA B 80 -1.357 5.709 -1.201 1.00 0.00 C ATOM 1324 C ALA B 80 -2.026 6.768 -0.327 1.00 0.00 C ATOM 1325 O ALA B 80 -1.897 6.744 0.899 1.00 0.00 O ATOM 1326 CB ALA B 80 -0.058 6.246 -1.783 1.00 0.00 C ATOM 0 H ALA B 80 -1.955 5.538 -3.208 1.00 0.00 H new ATOM 0 HA ALA B 80 -1.129 4.847 -0.574 1.00 0.00 H new ATOM 0 HB1 ALA B 80 0.597 6.570 -0.974 1.00 0.00 H new ATOM 0 HB2 ALA B 80 0.435 5.462 -2.357 1.00 0.00 H new ATOM 0 HB3 ALA B 80 -0.274 7.092 -2.436 1.00 0.00 H new ATOM 1332 N LEU B 81 -2.746 7.693 -0.969 1.00 0.00 N ATOM 1333 CA LEU B 81 -3.453 8.757 -0.254 1.00 0.00 C ATOM 1334 C LEU B 81 -4.628 8.185 0.538 1.00 0.00 C ATOM 1335 O LEU B 81 -4.950 8.670 1.624 1.00 0.00 O ATOM 1336 CB LEU B 81 -3.951 9.824 -1.235 1.00 0.00 C ATOM 1337 CG LEU B 81 -2.867 10.731 -1.826 1.00 0.00 C ATOM 1338 CD1 LEU B 81 -3.326 11.314 -3.152 1.00 0.00 C ATOM 1339 CD2 LEU B 81 -2.512 11.848 -0.853 1.00 0.00 C ATOM 0 H LEU B 81 -2.854 7.725 -1.983 1.00 0.00 H new ATOM 0 HA LEU B 81 -2.755 9.220 0.443 1.00 0.00 H new ATOM 0 HB2 LEU B 81 -4.470 9.326 -2.054 1.00 0.00 H new ATOM 0 HB3 LEU B 81 -4.685 10.448 -0.725 1.00 0.00 H new ATOM 0 HG LEU B 81 -1.976 10.128 -2.000 1.00 0.00 H new ATOM 0 HD11 LEU B 81 -2.544 11.956 -3.558 1.00 0.00 H new ATOM 0 HD12 LEU B 81 -3.532 10.505 -3.853 1.00 0.00 H new ATOM 0 HD13 LEU B 81 -4.232 11.900 -2.998 1.00 0.00 H new ATOM 0 HD21 LEU B 81 -1.740 12.481 -1.291 1.00 0.00 H new ATOM 0 HD22 LEU B 81 -3.399 12.447 -0.647 1.00 0.00 H new ATOM 0 HD23 LEU B 81 -2.142 11.416 0.077 1.00 0.00 H new ATOM 1351 N GLY B 82 -5.260 7.146 -0.019 1.00 0.00 N ATOM 1352 CA GLY B 82 -6.386 6.507 0.644 1.00 0.00 C ATOM 1353 C GLY B 82 -5.976 5.788 1.916 1.00 0.00 C ATOM 1354 O GLY B 82 -6.529 6.048 2.988 1.00 0.00 O ATOM 0 H GLY B 82 -5.009 6.738 -0.919 1.00 0.00 H new ATOM 0 HA2 GLY B 82 -7.139 7.259 0.881 1.00 0.00 H new ATOM 0 HA3 GLY B 82 -6.850 5.795 -0.039 1.00 0.00 H new ATOM 1358 N ILE B 83 -4.991 4.892 1.800 1.00 0.00 N ATOM 1359 CA ILE B 83 -4.496 4.136 2.954 1.00 0.00 C ATOM 1360 C ILE B 83 -3.807 5.069 3.954 1.00 0.00 C ATOM 1361 O ILE B 83 -3.907 4.872 5.165 1.00 0.00 O ATOM 1362 CB ILE B 83 -3.509 3.015 2.540 1.00 0.00 C ATOM 1363 CG1 ILE B 83 -4.094 2.174 1.398 1.00 0.00 C ATOM 1364 CG2 ILE B 83 -3.176 2.126 3.737 1.00 0.00 C ATOM 1365 CD1 ILE B 83 -3.048 1.450 0.574 1.00 0.00 C ATOM 0 H ILE B 83 -4.522 4.673 0.921 1.00 0.00 H new ATOM 0 HA ILE B 83 -5.365 3.670 3.420 1.00 0.00 H new ATOM 0 HB ILE B 83 -2.589 3.483 2.188 1.00 0.00 H new ATOM 0 HG12 ILE B 83 -4.785 1.442 1.816 1.00 0.00 H new ATOM 0 HG13 ILE B 83 -4.675 2.823 0.742 1.00 0.00 H new ATOM 0 HG21 ILE B 83 -2.482 1.344 3.428 1.00 0.00 H new ATOM 0 HG22 ILE B 83 -2.718 2.729 4.521 1.00 0.00 H new ATOM 0 HG23 ILE B 83 -4.090 1.670 4.117 1.00 0.00 H new ATOM 0 HD11 ILE B 83 -3.538 0.877 -0.213 1.00 0.00 H new ATOM 0 HD12 ILE B 83 -2.371 2.177 0.126 1.00 0.00 H new ATOM 0 HD13 ILE B 83 -2.482 0.775 1.216 1.00 0.00 H new ATOM 1377 N GLY B 84 -3.117 6.088 3.434 1.00 0.00 N ATOM 1378 CA GLY B 84 -2.428 7.043 4.289 1.00 0.00 C ATOM 1379 C GLY B 84 -3.387 7.855 5.141 1.00 0.00 C ATOM 1380 O GLY B 84 -3.175 8.016 6.344 1.00 0.00 O ATOM 0 H GLY B 84 -3.024 6.267 2.434 1.00 0.00 H new ATOM 0 HA2 GLY B 84 -1.733 6.510 4.937 1.00 0.00 H new ATOM 0 HA3 GLY B 84 -1.835 7.717 3.671 1.00 0.00 H new ATOM 1384 N LEU B 85 -4.452 8.359 4.512 1.00 0.00 N ATOM 1385 CA LEU B 85 -5.460 9.157 5.211 1.00 0.00 C ATOM 1386 C LEU B 85 -6.370 8.277 6.069 1.00 0.00 C ATOM 1387 O LEU B 85 -6.954 8.746 7.048 1.00 0.00 O ATOM 1388 CB LEU B 85 -6.301 9.952 4.207 1.00 0.00 C ATOM 1389 CG LEU B 85 -5.577 11.115 3.521 1.00 0.00 C ATOM 1390 CD1 LEU B 85 -6.206 11.409 2.166 1.00 0.00 C ATOM 1391 CD2 LEU B 85 -5.606 12.360 4.400 1.00 0.00 C ATOM 0 H LEU B 85 -4.638 8.228 3.518 1.00 0.00 H new ATOM 0 HA LEU B 85 -4.936 9.850 5.869 1.00 0.00 H new ATOM 0 HB2 LEU B 85 -6.663 9.268 3.440 1.00 0.00 H new ATOM 0 HB3 LEU B 85 -7.177 10.345 4.723 1.00 0.00 H new ATOM 0 HG LEU B 85 -4.537 10.827 3.366 1.00 0.00 H new ATOM 0 HD11 LEU B 85 -5.680 12.238 1.693 1.00 0.00 H new ATOM 0 HD12 LEU B 85 -6.135 10.525 1.532 1.00 0.00 H new ATOM 0 HD13 LEU B 85 -7.254 11.675 2.302 1.00 0.00 H new ATOM 0 HD21 LEU B 85 -5.087 13.174 3.895 1.00 0.00 H new ATOM 0 HD22 LEU B 85 -6.640 12.650 4.587 1.00 0.00 H new ATOM 0 HD23 LEU B 85 -5.112 12.148 5.348 1.00 0.00 H new ATOM 1403 N PHE B 86 -6.486 6.999 5.696 1.00 0.00 N ATOM 1404 CA PHE B 86 -7.321 6.049 6.432 1.00 0.00 C ATOM 1405 C PHE B 86 -6.624 5.570 7.711 1.00 0.00 C ATOM 1406 O PHE B 86 -7.275 5.369 8.739 1.00 0.00 O ATOM 1407 CB PHE B 86 -7.664 4.848 5.545 1.00 0.00 C ATOM 1408 CG PHE B 86 -8.950 4.165 5.921 1.00 0.00 C ATOM 1409 CD1 PHE B 86 -10.152 4.563 5.357 1.00 0.00 C ATOM 1410 CD2 PHE B 86 -8.954 3.124 6.837 1.00 0.00 C ATOM 1411 CE1 PHE B 86 -11.335 3.935 5.701 1.00 0.00 C ATOM 1412 CE2 PHE B 86 -10.135 2.494 7.184 1.00 0.00 C ATOM 1413 CZ PHE B 86 -11.325 2.901 6.615 1.00 0.00 C ATOM 0 H PHE B 86 -6.011 6.599 4.887 1.00 0.00 H new ATOM 0 HA PHE B 86 -8.240 6.562 6.716 1.00 0.00 H new ATOM 0 HB2 PHE B 86 -7.729 5.180 4.509 1.00 0.00 H new ATOM 0 HB3 PHE B 86 -6.850 4.125 5.598 1.00 0.00 H new ATOM 0 HD1 PHE B 86 -10.165 5.372 4.642 1.00 0.00 H new ATOM 0 HD2 PHE B 86 -8.025 2.802 7.284 1.00 0.00 H new ATOM 0 HE1 PHE B 86 -12.266 4.253 5.255 1.00 0.00 H new ATOM 0 HE2 PHE B 86 -10.126 1.685 7.899 1.00 0.00 H new ATOM 0 HZ PHE B 86 -12.248 2.410 6.885 1.00 0.00 H new ATOM 1423 N ILE B 87 -5.303 5.393 7.637 1.00 0.00 N ATOM 1424 CA ILE B 87 -4.515 4.937 8.786 1.00 0.00 C ATOM 1425 C ILE B 87 -4.144 6.105 9.707 1.00 0.00 C ATOM 1426 O ILE B 87 -4.115 5.951 10.930 1.00 0.00 O ATOM 1427 CB ILE B 87 -3.225 4.199 8.338 1.00 0.00 C ATOM 1428 CG1 ILE B 87 -3.556 2.993 7.433 1.00 0.00 C ATOM 1429 CG2 ILE B 87 -2.399 3.753 9.545 1.00 0.00 C ATOM 1430 CD1 ILE B 87 -4.482 1.959 8.059 1.00 0.00 C ATOM 0 H ILE B 87 -4.755 5.559 6.793 1.00 0.00 H new ATOM 0 HA ILE B 87 -5.142 4.237 9.338 1.00 0.00 H new ATOM 0 HB ILE B 87 -2.629 4.904 7.758 1.00 0.00 H new ATOM 0 HG12 ILE B 87 -4.013 3.361 6.515 1.00 0.00 H new ATOM 0 HG13 ILE B 87 -2.625 2.502 7.151 1.00 0.00 H new ATOM 0 HG21 ILE B 87 -1.501 3.239 9.202 1.00 0.00 H new ATOM 0 HG22 ILE B 87 -2.115 4.625 10.134 1.00 0.00 H new ATOM 0 HG23 ILE B 87 -2.991 3.077 10.161 1.00 0.00 H new ATOM 0 HD11 ILE B 87 -4.657 1.150 7.349 1.00 0.00 H new ATOM 0 HD12 ILE B 87 -4.021 1.557 8.961 1.00 0.00 H new ATOM 0 HD13 ILE B 87 -5.432 2.429 8.315 1.00 0.00 H new ATOM 1442 N ARG B 88 -3.862 7.269 9.114 1.00 0.00 N ATOM 1443 CA ARG B 88 -3.492 8.461 9.885 1.00 0.00 C ATOM 1444 C ARG B 88 -4.667 8.982 10.713 1.00 0.00 C ATOM 1445 O ARG B 88 -4.470 9.580 11.772 1.00 0.00 O ATOM 1446 CB ARG B 88 -2.984 9.563 8.952 1.00 0.00 C ATOM 1447 CG ARG B 88 -1.538 9.376 8.511 1.00 0.00 C ATOM 1448 CD ARG B 88 -0.565 10.011 9.494 1.00 0.00 C ATOM 1449 NE ARG B 88 0.827 9.837 9.079 1.00 0.00 N ATOM 1450 CZ ARG B 88 1.876 10.295 9.764 1.00 0.00 C ATOM 1451 NH1 ARG B 88 1.701 10.959 10.901 1.00 0.00 N ATOM 1452 NH2 ARG B 88 3.104 10.089 9.308 1.00 0.00 N ATOM 0 H ARG B 88 -3.883 7.412 8.104 1.00 0.00 H new ATOM 0 HA ARG B 88 -2.695 8.174 10.571 1.00 0.00 H new ATOM 0 HB2 ARG B 88 -3.622 9.601 8.069 1.00 0.00 H new ATOM 0 HB3 ARG B 88 -3.079 10.525 9.455 1.00 0.00 H new ATOM 0 HG2 ARG B 88 -1.320 8.312 8.419 1.00 0.00 H new ATOM 0 HG3 ARG B 88 -1.398 9.817 7.524 1.00 0.00 H new ATOM 0 HD2 ARG B 88 -0.785 11.075 9.586 1.00 0.00 H new ATOM 0 HD3 ARG B 88 -0.707 9.570 10.480 1.00 0.00 H new ATOM 0 HE ARG B 88 1.007 9.333 8.210 1.00 0.00 H new ATOM 0 HH11 ARG B 88 0.759 11.122 11.257 1.00 0.00 H new ATOM 0 HH12 ARG B 88 2.509 11.306 11.419 1.00 0.00 H new ATOM 0 HH21 ARG B 88 3.245 9.581 8.435 1.00 0.00 H new ATOM 0 HH22 ARG B 88 3.907 10.438 9.830 1.00 0.00 H new ATOM 1466 N ARG B 89 -5.886 8.751 10.222 1.00 0.00 N ATOM 1467 CA ARG B 89 -7.099 9.194 10.913 1.00 0.00 C ATOM 1468 C ARG B 89 -7.503 8.214 12.016 1.00 0.00 C ATOM 1469 O ARG B 89 -8.275 8.561 12.912 1.00 0.00 O ATOM 1470 CB ARG B 89 -8.249 9.357 9.916 1.00 0.00 C ATOM 1471 CG ARG B 89 -8.177 10.642 9.106 1.00 0.00 C ATOM 1472 CD ARG B 89 -9.327 10.743 8.119 1.00 0.00 C ATOM 1473 NE ARG B 89 -9.267 11.974 7.330 1.00 0.00 N ATOM 1474 CZ ARG B 89 -10.106 12.267 6.335 1.00 0.00 C ATOM 1475 NH1 ARG B 89 -11.075 11.423 5.997 1.00 0.00 N ATOM 1476 NH2 ARG B 89 -9.973 13.409 5.675 1.00 0.00 N ATOM 0 H ARG B 89 -6.060 8.258 9.346 1.00 0.00 H new ATOM 0 HA ARG B 89 -6.884 10.157 11.376 1.00 0.00 H new ATOM 0 HB2 ARG B 89 -8.250 8.507 9.234 1.00 0.00 H new ATOM 0 HB3 ARG B 89 -9.194 9.332 10.458 1.00 0.00 H new ATOM 0 HG2 ARG B 89 -8.197 11.499 9.779 1.00 0.00 H new ATOM 0 HG3 ARG B 89 -7.230 10.682 8.568 1.00 0.00 H new ATOM 0 HD2 ARG B 89 -9.307 9.883 7.450 1.00 0.00 H new ATOM 0 HD3 ARG B 89 -10.273 10.705 8.659 1.00 0.00 H new ATOM 0 HE ARG B 89 -8.538 12.651 7.555 1.00 0.00 H new ATOM 0 HH11 ARG B 89 -11.182 10.542 6.500 1.00 0.00 H new ATOM 0 HH12 ARG B 89 -11.711 11.656 5.235 1.00 0.00 H new ATOM 0 HH21 ARG B 89 -9.231 14.061 5.928 1.00 0.00 H new ATOM 0 HH22 ARG B 89 -10.613 13.636 4.914 1.00 0.00 H new ATOM 1490 N ARG B 90 -6.975 6.991 11.944 1.00 0.00 N ATOM 1491 CA ARG B 90 -7.277 5.953 12.932 1.00 0.00 C ATOM 1492 C ARG B 90 -6.363 6.058 14.153 1.00 0.00 C ATOM 1493 O ARG B 90 -6.699 5.564 15.232 1.00 0.00 O ATOM 1494 CB ARG B 90 -7.144 4.564 12.302 1.00 0.00 C ATOM 1495 CG ARG B 90 -8.300 4.195 11.385 1.00 0.00 C ATOM 1496 CD ARG B 90 -8.119 2.809 10.785 1.00 0.00 C ATOM 1497 NE ARG B 90 -8.378 1.747 11.758 1.00 0.00 N ATOM 1498 CZ ARG B 90 -8.288 0.444 11.486 1.00 0.00 C ATOM 1499 NH1 ARG B 90 -7.946 0.030 10.271 1.00 0.00 N ATOM 1500 NH2 ARG B 90 -8.540 -0.448 12.434 1.00 0.00 N ATOM 0 H ARG B 90 -6.334 6.694 11.209 1.00 0.00 H new ATOM 0 HA ARG B 90 -8.305 6.103 13.264 1.00 0.00 H new ATOM 0 HB2 ARG B 90 -6.214 4.519 11.735 1.00 0.00 H new ATOM 0 HB3 ARG B 90 -7.070 3.820 13.096 1.00 0.00 H new ATOM 0 HG2 ARG B 90 -9.235 4.230 11.945 1.00 0.00 H new ATOM 0 HG3 ARG B 90 -8.380 4.931 10.585 1.00 0.00 H new ATOM 0 HD2 ARG B 90 -8.791 2.692 9.935 1.00 0.00 H new ATOM 0 HD3 ARG B 90 -7.103 2.710 10.404 1.00 0.00 H new ATOM 0 HE ARG B 90 -8.644 2.020 12.704 1.00 0.00 H new ATOM 0 HH11 ARG B 90 -7.750 0.710 9.537 1.00 0.00 H new ATOM 0 HH12 ARG B 90 -7.880 -0.968 10.072 1.00 0.00 H new ATOM 0 HH21 ARG B 90 -8.802 -0.138 13.370 1.00 0.00 H new ATOM 0 HH22 ARG B 90 -8.472 -1.445 12.228 1.00 0.00 H new ATOM 1514 N HIS B 91 -5.207 6.703 13.977 1.00 0.00 N ATOM 1515 CA HIS B 91 -4.240 6.873 15.063 1.00 0.00 C ATOM 1516 C HIS B 91 -4.612 8.051 15.965 1.00 0.00 C ATOM 1517 O HIS B 91 -4.098 8.173 17.079 1.00 0.00 O ATOM 1518 CB HIS B 91 -2.834 7.075 14.494 1.00 0.00 C ATOM 1519 CG HIS B 91 -2.144 5.795 14.137 1.00 0.00 C ATOM 1520 ND1 HIS B 91 -2.070 5.314 12.847 1.00 0.00 N ATOM 1521 CD2 HIS B 91 -1.493 4.895 14.910 1.00 0.00 C ATOM 1522 CE1 HIS B 91 -1.404 4.172 12.841 1.00 0.00 C ATOM 1523 NE2 HIS B 91 -1.041 3.897 14.080 1.00 0.00 N ATOM 0 H HIS B 91 -4.918 7.117 13.091 1.00 0.00 H new ATOM 0 HA HIS B 91 -4.257 5.966 15.667 1.00 0.00 H new ATOM 0 HB2 HIS B 91 -2.897 7.704 13.606 1.00 0.00 H new ATOM 0 HB3 HIS B 91 -2.229 7.613 15.224 1.00 0.00 H new ATOM 0 HD1 HIS B 91 -2.467 5.769 12.025 1.00 0.00 H new ATOM 0 HD2 HIS B 91 -1.354 4.951 15.980 1.00 0.00 H new ATOM 0 HE1 HIS B 91 -1.193 3.568 11.971 1.00 0.00 H new ATOM 1532 N ILE B 92 -5.503 8.915 15.474 1.00 0.00 N ATOM 1533 CA ILE B 92 -5.950 10.086 16.235 1.00 0.00 C ATOM 1534 C ILE B 92 -7.070 9.713 17.211 1.00 0.00 C ATOM 1535 O ILE B 92 -7.429 10.504 18.086 1.00 0.00 O ATOM 1536 CB ILE B 92 -6.445 11.224 15.300 1.00 0.00 C ATOM 1537 CG1 ILE B 92 -5.573 11.329 14.030 1.00 0.00 C ATOM 1538 CG2 ILE B 92 -6.476 12.558 16.042 1.00 0.00 C ATOM 1539 CD1 ILE B 92 -4.091 11.549 14.291 1.00 0.00 C ATOM 0 H ILE B 92 -5.930 8.827 14.552 1.00 0.00 H new ATOM 0 HA ILE B 92 -5.087 10.445 16.795 1.00 0.00 H new ATOM 0 HB ILE B 92 -7.460 10.978 14.988 1.00 0.00 H new ATOM 0 HG12 ILE B 92 -5.693 10.416 13.447 1.00 0.00 H new ATOM 0 HG13 ILE B 92 -5.946 12.150 13.417 1.00 0.00 H new ATOM 0 HG21 ILE B 92 -6.825 13.341 15.369 1.00 0.00 H new ATOM 0 HG22 ILE B 92 -7.151 12.485 16.895 1.00 0.00 H new ATOM 0 HG23 ILE B 92 -5.473 12.802 16.393 1.00 0.00 H new ATOM 0 HD11 ILE B 92 -3.559 11.610 13.341 1.00 0.00 H new ATOM 0 HD12 ILE B 92 -3.953 12.478 14.844 1.00 0.00 H new ATOM 0 HD13 ILE B 92 -3.697 10.717 14.875 1.00 0.00 H new ATOM 1651 N LEU B 98 -1.129 2.217 24.657 1.00 0.00 N ATOM 1652 CA LEU B 98 -0.542 1.033 24.036 1.00 0.00 C ATOM 1653 C LEU B 98 0.976 1.151 23.996 1.00 0.00 C ATOM 1654 O LEU B 98 1.679 0.176 24.206 1.00 0.00 O ATOM 1655 CB LEU B 98 -1.099 0.821 22.620 1.00 0.00 C ATOM 1656 CG LEU B 98 -1.720 -0.561 22.344 1.00 0.00 C ATOM 1657 CD1 LEU B 98 -0.766 -1.686 22.730 1.00 0.00 C ATOM 1658 CD2 LEU B 98 -3.050 -0.712 23.076 1.00 0.00 C ATOM 0 HA LEU B 98 -0.810 0.166 24.640 1.00 0.00 H new ATOM 0 HB2 LEU B 98 -1.855 1.583 22.430 1.00 0.00 H new ATOM 0 HB3 LEU B 98 -0.293 0.986 21.905 1.00 0.00 H new ATOM 0 HG LEU B 98 -1.905 -0.632 21.272 1.00 0.00 H new ATOM 0 HD11 LEU B 98 -1.235 -2.648 22.523 1.00 0.00 H new ATOM 0 HD12 LEU B 98 0.153 -1.598 22.151 1.00 0.00 H new ATOM 0 HD13 LEU B 98 -0.534 -1.617 23.793 1.00 0.00 H new ATOM 0 HD21 LEU B 98 -3.471 -1.695 22.867 1.00 0.00 H new ATOM 0 HD22 LEU B 98 -2.889 -0.607 24.149 1.00 0.00 H new ATOM 0 HD23 LEU B 98 -3.742 0.058 22.736 1.00 0.00 H new ATOM 1670 N ARG B 99 1.453 2.367 23.723 1.00 0.00 N ATOM 1671 CA ARG B 99 2.878 2.680 23.674 1.00 0.00 C ATOM 1672 C ARG B 99 3.458 2.552 25.068 1.00 0.00 C ATOM 1673 O ARG B 99 4.637 2.241 25.242 1.00 0.00 O ATOM 1674 CB ARG B 99 3.103 4.096 23.136 1.00 0.00 C ATOM 1675 CG ARG B 99 2.861 4.227 21.640 1.00 0.00 C ATOM 1676 CD ARG B 99 3.098 5.650 21.159 1.00 0.00 C ATOM 1677 NE ARG B 99 2.868 5.789 19.721 1.00 0.00 N ATOM 1678 CZ ARG B 99 3.009 6.932 19.047 1.00 0.00 C ATOM 1679 NH1 ARG B 99 3.379 8.042 19.673 1.00 0.00 N ATOM 1680 NH2 ARG B 99 2.778 6.962 17.743 1.00 0.00 N ATOM 0 H ARG B 99 0.853 3.168 23.528 1.00 0.00 H new ATOM 0 HA ARG B 99 3.376 1.982 23.002 1.00 0.00 H new ATOM 0 HB2 ARG B 99 2.443 4.785 23.664 1.00 0.00 H new ATOM 0 HB3 ARG B 99 4.126 4.401 23.358 1.00 0.00 H new ATOM 0 HG2 ARG B 99 3.521 3.546 21.103 1.00 0.00 H new ATOM 0 HG3 ARG B 99 1.838 3.929 21.408 1.00 0.00 H new ATOM 0 HD2 ARG B 99 2.438 6.329 21.699 1.00 0.00 H new ATOM 0 HD3 ARG B 99 4.121 5.946 21.393 1.00 0.00 H new ATOM 0 HE ARG B 99 2.582 4.960 19.201 1.00 0.00 H new ATOM 0 HH11 ARG B 99 3.558 8.026 20.677 1.00 0.00 H new ATOM 0 HH12 ARG B 99 3.484 8.911 19.150 1.00 0.00 H new ATOM 0 HH21 ARG B 99 2.493 6.112 17.256 1.00 0.00 H new ATOM 0 HH22 ARG B 99 2.885 7.835 17.226 1.00 0.00 H new ATOM 1694 N ARG B 100 2.606 2.805 26.067 1.00 0.00 N ATOM 1695 CA ARG B 100 3.003 2.647 27.459 1.00 0.00 C ATOM 1696 C ARG B 100 3.154 1.155 27.709 1.00 0.00 C ATOM 1697 O ARG B 100 3.769 0.713 28.679 1.00 0.00 O ATOM 1698 CB ARG B 100 1.958 3.249 28.403 1.00 0.00 C ATOM 1699 CG ARG B 100 1.985 4.769 28.456 1.00 0.00 C ATOM 1700 CD ARG B 100 0.930 5.311 29.405 1.00 0.00 C ATOM 1701 NE ARG B 100 0.946 6.773 29.463 1.00 0.00 N ATOM 1702 CZ ARG B 100 0.122 7.502 30.220 1.00 0.00 C ATOM 1703 NH1 ARG B 100 -0.787 6.911 30.989 1.00 0.00 N ATOM 1704 NH2 ARG B 100 0.211 8.824 30.210 1.00 0.00 N ATOM 0 H ARG B 100 1.644 3.118 25.933 1.00 0.00 H new ATOM 0 HA ARG B 100 3.939 3.172 27.651 1.00 0.00 H new ATOM 0 HB2 ARG B 100 0.967 2.923 28.089 1.00 0.00 H new ATOM 0 HB3 ARG B 100 2.119 2.856 29.407 1.00 0.00 H new ATOM 0 HG2 ARG B 100 2.971 5.106 28.776 1.00 0.00 H new ATOM 0 HG3 ARG B 100 1.819 5.172 27.457 1.00 0.00 H new ATOM 0 HD2 ARG B 100 -0.055 4.971 29.085 1.00 0.00 H new ATOM 0 HD3 ARG B 100 1.098 4.906 30.403 1.00 0.00 H new ATOM 0 HE ARG B 100 1.630 7.266 28.889 1.00 0.00 H new ATOM 0 HH11 ARG B 100 -0.859 5.894 31.004 1.00 0.00 H new ATOM 0 HH12 ARG B 100 -1.413 7.475 31.564 1.00 0.00 H new ATOM 0 HH21 ARG B 100 0.908 9.284 29.625 1.00 0.00 H new ATOM 0 HH22 ARG B 100 -0.418 9.382 30.788 1.00 0.00 H new ATOM 1718 N LEU B 101 2.541 0.400 26.797 1.00 0.00 N ATOM 1719 CA LEU B 101 2.582 -1.046 26.797 1.00 0.00 C ATOM 1720 C LEU B 101 3.381 -1.549 25.592 1.00 0.00 C ATOM 1721 O LEU B 101 3.950 -2.641 25.638 1.00 0.00 O ATOM 1722 CB LEU B 101 1.162 -1.626 26.757 1.00 0.00 C ATOM 1723 CG LEU B 101 0.280 -1.303 27.972 1.00 0.00 C ATOM 1724 CD1 LEU B 101 -1.187 -1.546 27.648 1.00 0.00 C ATOM 1725 CD2 LEU B 101 0.700 -2.127 29.184 1.00 0.00 C ATOM 0 H LEU B 101 1.996 0.791 26.029 1.00 0.00 H new ATOM 0 HA LEU B 101 3.069 -1.377 27.714 1.00 0.00 H new ATOM 0 HB2 LEU B 101 0.663 -1.258 25.860 1.00 0.00 H new ATOM 0 HB3 LEU B 101 1.234 -2.709 26.660 1.00 0.00 H new ATOM 0 HG LEU B 101 0.412 -0.248 28.214 1.00 0.00 H new ATOM 0 HD11 LEU B 101 -1.796 -1.312 28.521 1.00 0.00 H new ATOM 0 HD12 LEU B 101 -1.486 -0.909 26.815 1.00 0.00 H new ATOM 0 HD13 LEU B 101 -1.331 -2.591 27.375 1.00 0.00 H new ATOM 0 HD21 LEU B 101 0.060 -1.880 30.031 1.00 0.00 H new ATOM 0 HD22 LEU B 101 0.604 -3.188 28.954 1.00 0.00 H new ATOM 0 HD23 LEU B 101 1.737 -1.903 29.435 1.00 0.00 H new ATOM 1737 N LEU B 102 3.421 -0.747 24.506 1.00 0.00 N ATOM 1738 CA LEU B 102 4.144 -1.148 23.296 1.00 0.00 C ATOM 1739 C LEU B 102 5.600 -0.682 23.326 1.00 0.00 C ATOM 1740 O LEU B 102 6.518 -1.483 23.142 1.00 0.00 O ATOM 1741 CB LEU B 102 3.448 -0.604 22.040 1.00 0.00 C ATOM 1742 CG LEU B 102 3.588 -1.468 20.781 1.00 0.00 C ATOM 1743 CD1 LEU B 102 2.368 -1.306 19.886 1.00 0.00 C ATOM 1744 CD2 LEU B 102 4.856 -1.105 20.020 1.00 0.00 C ATOM 0 H LEU B 102 2.967 0.165 24.449 1.00 0.00 H new ATOM 0 HA LEU B 102 4.137 -2.238 23.264 1.00 0.00 H new ATOM 0 HB2 LEU B 102 2.387 -0.480 22.258 1.00 0.00 H new ATOM 0 HB3 LEU B 102 3.847 0.387 21.825 1.00 0.00 H new ATOM 0 HG LEU B 102 3.657 -2.512 21.088 1.00 0.00 H new ATOM 0 HD11 LEU B 102 2.484 -1.926 18.997 1.00 0.00 H new ATOM 0 HD12 LEU B 102 1.475 -1.614 20.429 1.00 0.00 H new ATOM 0 HD13 LEU B 102 2.270 -0.262 19.590 1.00 0.00 H new ATOM 0 HD21 LEU B 102 4.937 -1.729 19.130 1.00 0.00 H new ATOM 0 HD22 LEU B 102 4.816 -0.056 19.726 1.00 0.00 H new ATOM 0 HD23 LEU B 102 5.724 -1.270 20.659 1.00 0.00 H new