USER MOD reduce.3.24.130724 H: found=0, std=0, add=575, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 573 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 26 THR OG1 : rot -55:sc= 1.28 USER MOD Set 1.2: A 58 HIS : no HE2:sc= -7.55! C(o=-6.3!,f=-9.7!) 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 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 SER OG : rot -54:sc= 0.455 USER MOD Single : A 13 LYS NZ :NH3+ -166:sc= 0 (180deg=-0.0892) USER MOD Single : A 16 SER OG : rot 22:sc= 0.629 USER MOD Single : A 22 THR OG1 : rot 180:sc= -0.024 USER MOD Single : A 24 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 35 MET CE :methyl -122:sc= 0 (180deg=-0.00123) USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.00851) USER MOD Single : A 41 ASN : amide:sc= 0 K(o=0,f=-0.64) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 SER OG : rot -87:sc= 0.977 USER MOD Single : A 46 HIS : no HE2:sc= -2.99! C(o=-3!,f=-3.1!) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 51 THR OG1 : rot -103:sc= 0.113 USER MOD Single : A 52 GLN : amide:sc= -2.79! C(o=-2.8!,f=-2.8!) USER MOD Single : A 55 CYS SG : rot 100:sc= -0.334 USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 ASN : amide:sc= -1.68 K(o=-1.7,f=-3.4!) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot 180:sc=-0.00157 USER MOD Single : A 77 SER OG : rot 180:sc= -0.075 USER MOD Single : A 78 SER OG : rot 180:sc=-0.00401 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -37.624 -13.397 20.109 1.00 0.00 N ATOM 2 CA GLY A 1 -38.652 -14.290 20.611 1.00 0.00 C ATOM 3 C GLY A 1 -38.148 -15.706 20.801 1.00 0.00 C ATOM 4 O GLY A 1 -38.363 -16.568 19.949 1.00 0.00 O ATOM 0 H1 GLY A 1 -38.019 -12.442 19.996 1.00 0.00 H new ATOM 0 H2 GLY A 1 -36.831 -13.367 20.782 1.00 0.00 H new ATOM 0 H3 GLY A 1 -37.284 -13.742 19.189 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -39.026 -13.910 21.562 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -39.493 -14.297 19.918 1.00 0.00 H new ATOM 8 N SER A 2 -37.474 -15.948 21.921 1.00 0.00 N ATOM 9 CA SER A 2 -36.933 -17.269 22.217 1.00 0.00 C ATOM 10 C SER A 2 -38.054 -18.266 22.494 1.00 0.00 C ATOM 11 O SER A 2 -39.036 -17.943 23.163 1.00 0.00 O ATOM 12 CB SER A 2 -35.989 -17.199 23.419 1.00 0.00 C ATOM 13 OG SER A 2 -36.695 -16.873 24.604 1.00 0.00 O ATOM 0 H SER A 2 -37.290 -15.246 22.638 1.00 0.00 H new ATOM 0 HA SER A 2 -36.375 -17.610 21.345 1.00 0.00 H new ATOM 0 HB2 SER A 2 -35.484 -18.157 23.545 1.00 0.00 H new ATOM 0 HB3 SER A 2 -35.216 -16.453 23.235 1.00 0.00 H new ATOM 0 HG SER A 2 -36.070 -16.836 25.358 1.00 0.00 H new ATOM 19 N SER A 3 -37.900 -19.480 21.975 1.00 0.00 N ATOM 20 CA SER A 3 -38.900 -20.524 22.162 1.00 0.00 C ATOM 21 C SER A 3 -38.243 -21.838 22.575 1.00 0.00 C ATOM 22 O SER A 3 -38.705 -22.514 23.493 1.00 0.00 O ATOM 23 CB SER A 3 -39.705 -20.725 20.877 1.00 0.00 C ATOM 24 OG SER A 3 -40.451 -19.563 20.555 1.00 0.00 O ATOM 0 H SER A 3 -37.092 -19.765 21.422 1.00 0.00 H new ATOM 0 HA SER A 3 -39.574 -20.209 22.959 1.00 0.00 H new ATOM 0 HB2 SER A 3 -39.030 -20.967 20.056 1.00 0.00 H new ATOM 0 HB3 SER A 3 -40.380 -21.573 20.996 1.00 0.00 H new ATOM 0 HG SER A 3 -40.955 -19.717 19.729 1.00 0.00 H new ATOM 30 N GLY A 4 -37.162 -22.193 21.888 1.00 0.00 N ATOM 31 CA GLY A 4 -36.458 -23.424 22.196 1.00 0.00 C ATOM 32 C GLY A 4 -36.090 -24.208 20.953 1.00 0.00 C ATOM 33 O GLY A 4 -36.235 -25.430 20.915 1.00 0.00 O ATOM 0 H GLY A 4 -36.761 -21.650 21.123 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -35.552 -23.191 22.756 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -37.081 -24.043 22.841 1.00 0.00 H new ATOM 37 N SER A 5 -35.612 -23.505 19.931 1.00 0.00 N ATOM 38 CA SER A 5 -35.227 -24.142 18.677 1.00 0.00 C ATOM 39 C SER A 5 -33.747 -23.917 18.386 1.00 0.00 C ATOM 40 O SER A 5 -33.214 -22.833 18.623 1.00 0.00 O ATOM 41 CB SER A 5 -36.074 -23.601 17.524 1.00 0.00 C ATOM 42 OG SER A 5 -35.679 -24.173 16.289 1.00 0.00 O ATOM 0 H SER A 5 -35.482 -22.493 19.947 1.00 0.00 H new ATOM 0 HA SER A 5 -35.401 -25.214 18.774 1.00 0.00 H new ATOM 0 HB2 SER A 5 -37.126 -23.818 17.709 1.00 0.00 H new ATOM 0 HB3 SER A 5 -35.976 -22.517 17.474 1.00 0.00 H new ATOM 0 HG SER A 5 -36.237 -23.812 15.568 1.00 0.00 H new ATOM 48 N SER A 6 -33.088 -24.950 17.869 1.00 0.00 N ATOM 49 CA SER A 6 -31.668 -24.868 17.549 1.00 0.00 C ATOM 50 C SER A 6 -31.337 -25.718 16.326 1.00 0.00 C ATOM 51 O SER A 6 -31.411 -26.945 16.371 1.00 0.00 O ATOM 52 CB SER A 6 -30.826 -25.322 18.743 1.00 0.00 C ATOM 53 OG SER A 6 -29.533 -24.743 18.705 1.00 0.00 O ATOM 0 H SER A 6 -33.515 -25.853 17.663 1.00 0.00 H new ATOM 0 HA SER A 6 -31.432 -23.828 17.322 1.00 0.00 H new ATOM 0 HB2 SER A 6 -31.325 -25.044 19.671 1.00 0.00 H new ATOM 0 HB3 SER A 6 -30.741 -26.409 18.740 1.00 0.00 H new ATOM 0 HG SER A 6 -29.015 -25.047 19.479 1.00 0.00 H new ATOM 59 N GLY A 7 -30.972 -25.055 15.233 1.00 0.00 N ATOM 60 CA GLY A 7 -30.635 -25.764 14.012 1.00 0.00 C ATOM 61 C GLY A 7 -30.594 -24.851 12.803 1.00 0.00 C ATOM 62 O GLY A 7 -31.250 -25.112 11.795 1.00 0.00 O ATOM 0 H GLY A 7 -30.904 -24.039 15.171 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -29.665 -26.247 14.132 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -31.366 -26.555 13.841 1.00 0.00 H new ATOM 66 N THR A 8 -29.821 -23.773 12.903 1.00 0.00 N ATOM 67 CA THR A 8 -29.699 -22.817 11.811 1.00 0.00 C ATOM 68 C THR A 8 -28.237 -22.579 11.449 1.00 0.00 C ATOM 69 O THR A 8 -27.525 -21.853 12.144 1.00 0.00 O ATOM 70 CB THR A 8 -30.353 -21.469 12.169 1.00 0.00 C ATOM 71 OG1 THR A 8 -31.716 -21.674 12.556 1.00 0.00 O ATOM 72 CG2 THR A 8 -30.294 -20.509 10.990 1.00 0.00 C ATOM 0 H THR A 8 -29.270 -23.541 13.730 1.00 0.00 H new ATOM 0 HA THR A 8 -30.217 -23.248 10.954 1.00 0.00 H new ATOM 0 HB THR A 8 -29.801 -21.032 13.001 1.00 0.00 H new ATOM 0 HG1 THR A 8 -32.124 -20.813 12.784 1.00 0.00 H new ATOM 0 HG21 THR A 8 -30.762 -19.564 11.266 1.00 0.00 H new ATOM 0 HG22 THR A 8 -29.254 -20.333 10.716 1.00 0.00 H new ATOM 0 HG23 THR A 8 -30.824 -20.942 10.142 1.00 0.00 H new ATOM 80 N LEU A 9 -27.795 -23.194 10.358 1.00 0.00 N ATOM 81 CA LEU A 9 -26.417 -23.048 9.903 1.00 0.00 C ATOM 82 C LEU A 9 -26.369 -22.637 8.435 1.00 0.00 C ATOM 83 O LEU A 9 -26.265 -23.482 7.546 1.00 0.00 O ATOM 84 CB LEU A 9 -25.652 -24.358 10.103 1.00 0.00 C ATOM 85 CG LEU A 9 -25.508 -24.837 11.548 1.00 0.00 C ATOM 86 CD1 LEU A 9 -25.085 -26.297 11.587 1.00 0.00 C ATOM 87 CD2 LEU A 9 -24.510 -23.970 12.301 1.00 0.00 C ATOM 0 H LEU A 9 -28.371 -23.799 9.772 1.00 0.00 H new ATOM 0 HA LEU A 9 -25.945 -22.264 10.496 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -26.153 -25.139 9.531 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -24.655 -24.242 9.679 1.00 0.00 H new ATOM 0 HG LEU A 9 -26.478 -24.748 12.038 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -24.988 -26.620 12.623 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -25.837 -26.907 11.086 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -24.127 -26.412 11.080 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -24.421 -24.326 13.327 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -23.538 -24.026 11.812 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -24.856 -22.936 12.304 1.00 0.00 H new ATOM 99 N ALA A 10 -26.442 -21.333 8.188 1.00 0.00 N ATOM 100 CA ALA A 10 -26.403 -20.810 6.828 1.00 0.00 C ATOM 101 C ALA A 10 -25.141 -19.986 6.594 1.00 0.00 C ATOM 102 O ALA A 10 -25.167 -18.757 6.668 1.00 0.00 O ATOM 103 CB ALA A 10 -27.642 -19.973 6.549 1.00 0.00 C ATOM 0 H ALA A 10 -26.528 -20.620 8.912 1.00 0.00 H new ATOM 0 HA ALA A 10 -26.387 -21.655 6.140 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -27.600 -19.589 5.530 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -28.532 -20.590 6.667 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -27.683 -19.139 7.250 1.00 0.00 H new ATOM 109 N LYS A 11 -24.038 -20.669 6.311 1.00 0.00 N ATOM 110 CA LYS A 11 -22.765 -20.001 6.065 1.00 0.00 C ATOM 111 C LYS A 11 -22.951 -18.799 5.146 1.00 0.00 C ATOM 112 O LYS A 11 -22.531 -17.687 5.469 1.00 0.00 O ATOM 113 CB LYS A 11 -21.763 -20.979 5.446 1.00 0.00 C ATOM 114 CG LYS A 11 -21.309 -22.069 6.401 1.00 0.00 C ATOM 115 CD LYS A 11 -20.839 -23.306 5.653 1.00 0.00 C ATOM 116 CE LYS A 11 -20.162 -24.298 6.586 1.00 0.00 C ATOM 117 NZ LYS A 11 -21.139 -25.243 7.195 1.00 0.00 N ATOM 0 H LYS A 11 -23.999 -21.686 6.246 1.00 0.00 H new ATOM 0 HA LYS A 11 -22.377 -19.649 7.021 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -22.214 -21.441 4.568 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -20.891 -20.423 5.101 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -20.500 -21.692 7.027 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -22.130 -22.335 7.067 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -21.690 -23.784 5.167 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -20.145 -23.014 4.865 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -19.409 -24.860 6.034 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -19.640 -23.756 7.375 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -20.638 -25.903 7.824 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -21.843 -24.709 7.743 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -21.619 -25.778 6.444 1.00 0.00 H new ATOM 131 N SER A 12 -23.583 -19.028 3.999 1.00 0.00 N ATOM 132 CA SER A 12 -23.823 -17.963 3.032 1.00 0.00 C ATOM 133 C SER A 12 -22.510 -17.320 2.596 1.00 0.00 C ATOM 134 O SER A 12 -22.410 -16.098 2.483 1.00 0.00 O ATOM 135 CB SER A 12 -24.750 -16.902 3.629 1.00 0.00 C ATOM 136 OG SER A 12 -25.134 -15.952 2.650 1.00 0.00 O ATOM 0 H SER A 12 -23.938 -19.942 3.717 1.00 0.00 H new ATOM 0 HA SER A 12 -24.301 -18.402 2.156 1.00 0.00 H new ATOM 0 HB2 SER A 12 -25.637 -17.381 4.043 1.00 0.00 H new ATOM 0 HB3 SER A 12 -24.246 -16.397 4.453 1.00 0.00 H new ATOM 0 HG SER A 12 -24.334 -15.578 2.225 1.00 0.00 H new ATOM 142 N LYS A 13 -21.503 -18.152 2.352 1.00 0.00 N ATOM 143 CA LYS A 13 -20.195 -17.667 1.927 1.00 0.00 C ATOM 144 C LYS A 13 -19.744 -16.492 2.788 1.00 0.00 C ATOM 145 O LYS A 13 -19.191 -15.516 2.283 1.00 0.00 O ATOM 146 CB LYS A 13 -20.237 -17.249 0.456 1.00 0.00 C ATOM 147 CG LYS A 13 -18.862 -17.054 -0.160 1.00 0.00 C ATOM 148 CD LYS A 13 -18.958 -16.541 -1.587 1.00 0.00 C ATOM 149 CE LYS A 13 -19.089 -17.684 -2.582 1.00 0.00 C ATOM 150 NZ LYS A 13 -17.800 -18.406 -2.769 1.00 0.00 N ATOM 0 H LYS A 13 -21.568 -19.166 2.441 1.00 0.00 H new ATOM 0 HA LYS A 13 -19.478 -18.479 2.047 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -20.777 -18.006 -0.113 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -20.801 -16.321 0.367 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -18.289 -16.350 0.443 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -18.320 -17.999 -0.148 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -19.817 -15.877 -1.679 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -18.072 -15.951 -1.823 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -19.850 -18.383 -2.234 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -19.429 -17.294 -3.541 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -17.861 -19.012 -3.612 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -17.031 -17.717 -2.893 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -17.607 -18.994 -1.933 1.00 0.00 H new ATOM 164 N GLY A 14 -19.984 -16.593 4.092 1.00 0.00 N ATOM 165 CA GLY A 14 -19.595 -15.531 5.002 1.00 0.00 C ATOM 166 C GLY A 14 -18.352 -15.877 5.798 1.00 0.00 C ATOM 167 O GLY A 14 -17.406 -15.091 5.858 1.00 0.00 O ATOM 0 H GLY A 14 -20.441 -17.391 4.534 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -19.417 -14.617 4.435 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -20.417 -15.325 5.688 1.00 0.00 H new ATOM 171 N ALA A 15 -18.353 -17.055 6.413 1.00 0.00 N ATOM 172 CA ALA A 15 -17.217 -17.503 7.209 1.00 0.00 C ATOM 173 C ALA A 15 -15.900 -17.218 6.495 1.00 0.00 C ATOM 174 O ALA A 15 -14.977 -16.650 7.078 1.00 0.00 O ATOM 175 CB ALA A 15 -17.342 -18.987 7.519 1.00 0.00 C ATOM 0 H ALA A 15 -19.128 -17.717 6.375 1.00 0.00 H new ATOM 0 HA ALA A 15 -17.219 -16.946 8.146 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -16.487 -19.308 8.114 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -18.260 -19.166 8.078 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -17.368 -19.552 6.587 1.00 0.00 H new ATOM 181 N SER A 16 -15.820 -17.618 5.230 1.00 0.00 N ATOM 182 CA SER A 16 -14.614 -17.410 4.438 1.00 0.00 C ATOM 183 C SER A 16 -14.096 -15.984 4.600 1.00 0.00 C ATOM 184 O SER A 16 -14.768 -15.022 4.230 1.00 0.00 O ATOM 185 CB SER A 16 -14.892 -17.698 2.961 1.00 0.00 C ATOM 186 OG SER A 16 -15.820 -16.770 2.426 1.00 0.00 O ATOM 0 H SER A 16 -16.576 -18.088 4.732 1.00 0.00 H new ATOM 0 HA SER A 16 -13.850 -18.099 4.798 1.00 0.00 H new ATOM 0 HB2 SER A 16 -13.961 -17.652 2.397 1.00 0.00 H new ATOM 0 HB3 SER A 16 -15.281 -18.710 2.852 1.00 0.00 H new ATOM 0 HG SER A 16 -15.829 -15.961 2.979 1.00 0.00 H new ATOM 192 N ALA A 17 -12.896 -15.857 5.157 1.00 0.00 N ATOM 193 CA ALA A 17 -12.286 -14.550 5.368 1.00 0.00 C ATOM 194 C ALA A 17 -11.451 -14.133 4.162 1.00 0.00 C ATOM 195 O ALA A 17 -11.501 -12.983 3.728 1.00 0.00 O ATOM 196 CB ALA A 17 -11.430 -14.563 6.626 1.00 0.00 C ATOM 0 H ALA A 17 -12.327 -16.643 5.470 1.00 0.00 H new ATOM 0 HA ALA A 17 -13.085 -13.820 5.494 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -10.981 -13.580 6.771 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -12.052 -14.808 7.487 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -10.643 -15.310 6.523 1.00 0.00 H new ATOM 202 N GLY A 18 -10.683 -15.076 3.625 1.00 0.00 N ATOM 203 CA GLY A 18 -9.848 -14.786 2.474 1.00 0.00 C ATOM 204 C GLY A 18 -8.971 -13.568 2.687 1.00 0.00 C ATOM 205 O GLY A 18 -8.981 -12.639 1.879 1.00 0.00 O ATOM 0 H GLY A 18 -10.624 -16.035 3.966 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -9.219 -15.650 2.258 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -10.481 -14.626 1.601 1.00 0.00 H new ATOM 209 N ARG A 19 -8.212 -13.571 3.777 1.00 0.00 N ATOM 210 CA ARG A 19 -7.327 -12.456 4.095 1.00 0.00 C ATOM 211 C ARG A 19 -6.056 -12.513 3.252 1.00 0.00 C ATOM 212 O ARG A 19 -5.058 -13.108 3.657 1.00 0.00 O ATOM 213 CB ARG A 19 -6.967 -12.471 5.582 1.00 0.00 C ATOM 214 CG ARG A 19 -6.013 -11.360 5.988 1.00 0.00 C ATOM 215 CD ARG A 19 -5.380 -11.637 7.343 1.00 0.00 C ATOM 216 NE ARG A 19 -6.344 -11.516 8.433 1.00 0.00 N ATOM 217 CZ ARG A 19 -6.798 -10.353 8.888 1.00 0.00 C ATOM 218 NH1 ARG A 19 -6.376 -9.217 8.349 1.00 0.00 N ATOM 219 NH2 ARG A 19 -7.675 -10.325 9.883 1.00 0.00 N ATOM 0 H ARG A 19 -8.192 -14.333 4.455 1.00 0.00 H new ATOM 0 HA ARG A 19 -7.854 -11.530 3.865 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -7.881 -12.386 6.169 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -6.517 -13.433 5.829 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -5.232 -11.256 5.235 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -6.550 -10.412 6.023 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -4.954 -12.640 7.346 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -4.557 -10.941 7.508 1.00 0.00 H new ATOM 0 HE ARG A 19 -6.688 -12.371 8.869 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -5.702 -9.235 7.584 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -6.726 -8.325 8.700 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -8.002 -11.197 10.300 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -8.023 -9.432 10.231 1.00 0.00 H new ATOM 233 N GLU A 20 -6.102 -11.890 2.078 1.00 0.00 N ATOM 234 CA GLU A 20 -4.955 -11.872 1.179 1.00 0.00 C ATOM 235 C GLU A 20 -5.157 -10.853 0.060 1.00 0.00 C ATOM 236 O GLU A 20 -6.235 -10.766 -0.527 1.00 0.00 O ATOM 237 CB GLU A 20 -4.724 -13.262 0.582 1.00 0.00 C ATOM 238 CG GLU A 20 -5.796 -13.685 -0.408 1.00 0.00 C ATOM 239 CD GLU A 20 -5.488 -13.244 -1.826 1.00 0.00 C ATOM 240 OE1 GLU A 20 -4.296 -13.235 -2.197 1.00 0.00 O ATOM 241 OE2 GLU A 20 -6.438 -12.909 -2.563 1.00 0.00 O ATOM 0 H GLU A 20 -6.921 -11.392 1.728 1.00 0.00 H new ATOM 0 HA GLU A 20 -4.077 -11.583 1.757 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -3.755 -13.278 0.084 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -4.679 -13.992 1.390 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -5.900 -14.770 -0.383 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -6.754 -13.266 -0.101 1.00 0.00 H new ATOM 248 N TRP A 21 -4.112 -10.086 -0.228 1.00 0.00 N ATOM 249 CA TRP A 21 -4.174 -9.073 -1.275 1.00 0.00 C ATOM 250 C TRP A 21 -3.681 -9.633 -2.605 1.00 0.00 C ATOM 251 O TRP A 21 -2.670 -10.333 -2.659 1.00 0.00 O ATOM 252 CB TRP A 21 -3.341 -7.852 -0.882 1.00 0.00 C ATOM 253 CG TRP A 21 -3.960 -7.039 0.215 1.00 0.00 C ATOM 254 CD1 TRP A 21 -4.322 -7.479 1.456 1.00 0.00 C ATOM 255 CD2 TRP A 21 -4.289 -5.646 0.169 1.00 0.00 C ATOM 256 NE1 TRP A 21 -4.857 -6.444 2.184 1.00 0.00 N ATOM 257 CE2 TRP A 21 -4.847 -5.309 1.417 1.00 0.00 C ATOM 258 CE3 TRP A 21 -4.165 -4.652 -0.805 1.00 0.00 C ATOM 259 CZ2 TRP A 21 -5.281 -4.019 1.714 1.00 0.00 C ATOM 260 CZ3 TRP A 21 -4.596 -3.373 -0.509 1.00 0.00 C ATOM 261 CH2 TRP A 21 -5.147 -3.065 0.742 1.00 0.00 C ATOM 0 H TRP A 21 -3.212 -10.146 0.248 1.00 0.00 H new ATOM 0 HA TRP A 21 -5.215 -8.772 -1.393 1.00 0.00 H new ATOM 0 HB2 TRP A 21 -2.352 -8.183 -0.566 1.00 0.00 H new ATOM 0 HB3 TRP A 21 -3.201 -7.219 -1.758 1.00 0.00 H new ATOM 0 HD1 TRP A 21 -4.205 -8.492 1.813 1.00 0.00 H new ATOM 0 HE1 TRP A 21 -5.205 -6.510 3.140 1.00 0.00 H new ATOM 0 HE3 TRP A 21 -3.740 -4.879 -1.772 1.00 0.00 H new ATOM 0 HZ2 TRP A 21 -5.708 -3.780 2.677 1.00 0.00 H new ATOM 0 HZ3 TRP A 21 -4.507 -2.597 -1.255 1.00 0.00 H new ATOM 0 HH2 TRP A 21 -5.472 -2.055 0.943 1.00 0.00 H new ATOM 272 N THR A 22 -4.402 -9.321 -3.677 1.00 0.00 N ATOM 273 CA THR A 22 -4.038 -9.795 -5.007 1.00 0.00 C ATOM 274 C THR A 22 -3.091 -8.820 -5.697 1.00 0.00 C ATOM 275 O THR A 22 -3.176 -7.610 -5.495 1.00 0.00 O ATOM 276 CB THR A 22 -5.283 -9.997 -5.892 1.00 0.00 C ATOM 277 OG1 THR A 22 -5.976 -8.754 -6.053 1.00 0.00 O ATOM 278 CG2 THR A 22 -6.219 -11.029 -5.281 1.00 0.00 C ATOM 0 H THR A 22 -5.241 -8.742 -3.651 1.00 0.00 H new ATOM 0 HA THR A 22 -3.536 -10.754 -4.875 1.00 0.00 H new ATOM 0 HB THR A 22 -4.955 -10.359 -6.866 1.00 0.00 H new ATOM 0 HG1 THR A 22 -6.765 -8.890 -6.618 1.00 0.00 H new ATOM 0 HG21 THR A 22 -7.091 -11.155 -5.923 1.00 0.00 H new ATOM 0 HG22 THR A 22 -5.698 -11.982 -5.186 1.00 0.00 H new ATOM 0 HG23 THR A 22 -6.540 -10.691 -4.296 1.00 0.00 H new ATOM 286 N GLU A 23 -2.189 -9.357 -6.514 1.00 0.00 N ATOM 287 CA GLU A 23 -1.226 -8.533 -7.234 1.00 0.00 C ATOM 288 C GLU A 23 -1.853 -7.208 -7.659 1.00 0.00 C ATOM 289 O GLU A 23 -1.247 -6.147 -7.509 1.00 0.00 O ATOM 290 CB GLU A 23 -0.701 -9.279 -8.463 1.00 0.00 C ATOM 291 CG GLU A 23 -1.784 -9.633 -9.468 1.00 0.00 C ATOM 292 CD GLU A 23 -1.250 -10.429 -10.643 1.00 0.00 C ATOM 293 OE1 GLU A 23 -0.590 -11.462 -10.409 1.00 0.00 O ATOM 294 OE2 GLU A 23 -1.495 -10.019 -11.797 1.00 0.00 O ATOM 0 H GLU A 23 -2.106 -10.358 -6.693 1.00 0.00 H new ATOM 0 HA GLU A 23 -0.394 -8.322 -6.563 1.00 0.00 H new ATOM 0 HB2 GLU A 23 0.053 -8.665 -8.955 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -0.205 -10.194 -8.138 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -2.564 -10.208 -8.969 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -2.248 -8.717 -9.835 1.00 0.00 H new ATOM 301 N GLN A 24 -3.069 -7.279 -8.189 1.00 0.00 N ATOM 302 CA GLN A 24 -3.778 -6.086 -8.637 1.00 0.00 C ATOM 303 C GLN A 24 -4.035 -5.136 -7.472 1.00 0.00 C ATOM 304 O GLN A 24 -3.551 -4.005 -7.464 1.00 0.00 O ATOM 305 CB GLN A 24 -5.102 -6.472 -9.298 1.00 0.00 C ATOM 306 CG GLN A 24 -5.851 -5.291 -9.896 1.00 0.00 C ATOM 307 CD GLN A 24 -7.280 -5.634 -10.267 1.00 0.00 C ATOM 308 OE1 GLN A 24 -7.530 -6.298 -11.273 1.00 0.00 O ATOM 309 NE2 GLN A 24 -8.228 -5.181 -9.454 1.00 0.00 N ATOM 0 H GLN A 24 -3.584 -8.150 -8.319 1.00 0.00 H new ATOM 0 HA GLN A 24 -3.151 -5.574 -9.367 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -4.907 -7.203 -10.083 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -5.739 -6.959 -8.560 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -5.853 -4.467 -9.182 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -5.323 -4.942 -10.783 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -7.975 -4.634 -8.631 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -9.208 -5.380 -9.653 1.00 0.00 H new ATOM 318 N GLU A 25 -4.799 -5.604 -6.491 1.00 0.00 N ATOM 319 CA GLU A 25 -5.121 -4.795 -5.321 1.00 0.00 C ATOM 320 C GLU A 25 -3.890 -4.042 -4.826 1.00 0.00 C ATOM 321 O GLU A 25 -3.945 -2.839 -4.567 1.00 0.00 O ATOM 322 CB GLU A 25 -5.679 -5.676 -4.201 1.00 0.00 C ATOM 323 CG GLU A 25 -7.026 -6.296 -4.529 1.00 0.00 C ATOM 324 CD GLU A 25 -8.189 -5.392 -4.168 1.00 0.00 C ATOM 325 OE1 GLU A 25 -8.624 -5.425 -2.998 1.00 0.00 O ATOM 326 OE2 GLU A 25 -8.662 -4.651 -5.054 1.00 0.00 O ATOM 0 H GLU A 25 -5.207 -6.539 -6.483 1.00 0.00 H new ATOM 0 HA GLU A 25 -5.879 -4.067 -5.611 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -4.965 -6.471 -3.986 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -5.774 -5.079 -3.294 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -7.066 -6.526 -5.594 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -7.126 -7.241 -3.995 1.00 0.00 H new ATOM 333 N THR A 26 -2.778 -4.758 -4.694 1.00 0.00 N ATOM 334 CA THR A 26 -1.533 -4.160 -4.228 1.00 0.00 C ATOM 335 C THR A 26 -1.264 -2.834 -4.931 1.00 0.00 C ATOM 336 O THR A 26 -1.086 -1.802 -4.283 1.00 0.00 O ATOM 337 CB THR A 26 -0.337 -5.102 -4.458 1.00 0.00 C ATOM 338 OG1 THR A 26 -0.538 -6.331 -3.752 1.00 0.00 O ATOM 339 CG2 THR A 26 0.960 -4.453 -3.997 1.00 0.00 C ATOM 0 H THR A 26 -2.714 -5.754 -4.904 1.00 0.00 H new ATOM 0 HA THR A 26 -1.647 -3.985 -3.158 1.00 0.00 H new ATOM 0 HB THR A 26 -0.264 -5.305 -5.526 1.00 0.00 H new ATOM 0 HG1 THR A 26 -0.700 -6.141 -2.804 1.00 0.00 H new ATOM 0 HG21 THR A 26 1.791 -5.137 -4.170 1.00 0.00 H new ATOM 0 HG22 THR A 26 1.126 -3.533 -4.557 1.00 0.00 H new ATOM 0 HG23 THR A 26 0.894 -4.223 -2.934 1.00 0.00 H new ATOM 347 N LEU A 27 -1.236 -2.868 -6.258 1.00 0.00 N ATOM 348 CA LEU A 27 -0.989 -1.668 -7.049 1.00 0.00 C ATOM 349 C LEU A 27 -1.929 -0.540 -6.636 1.00 0.00 C ATOM 350 O LEU A 27 -1.487 0.556 -6.289 1.00 0.00 O ATOM 351 CB LEU A 27 -1.161 -1.971 -8.539 1.00 0.00 C ATOM 352 CG LEU A 27 -0.135 -2.923 -9.153 1.00 0.00 C ATOM 353 CD1 LEU A 27 -0.679 -3.543 -10.431 1.00 0.00 C ATOM 354 CD2 LEU A 27 1.172 -2.193 -9.428 1.00 0.00 C ATOM 0 H LEU A 27 -1.381 -3.714 -6.809 1.00 0.00 H new ATOM 0 HA LEU A 27 0.036 -1.347 -6.866 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -2.155 -2.392 -8.691 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -1.127 -1.029 -9.087 1.00 0.00 H new ATOM 0 HG LEU A 27 0.061 -3.724 -8.440 1.00 0.00 H new ATOM 0 HD11 LEU A 27 0.065 -4.218 -10.854 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -1.588 -4.101 -10.206 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -0.905 -2.755 -11.150 1.00 0.00 H new ATOM 0 HD21 LEU A 27 1.891 -2.886 -9.865 1.00 0.00 H new ATOM 0 HD22 LEU A 27 0.991 -1.372 -10.122 1.00 0.00 H new ATOM 0 HD23 LEU A 27 1.571 -1.797 -8.494 1.00 0.00 H new ATOM 366 N LEU A 28 -3.228 -0.816 -6.674 1.00 0.00 N ATOM 367 CA LEU A 28 -4.232 0.174 -6.301 1.00 0.00 C ATOM 368 C LEU A 28 -3.827 0.906 -5.025 1.00 0.00 C ATOM 369 O LEU A 28 -3.830 2.137 -4.975 1.00 0.00 O ATOM 370 CB LEU A 28 -5.593 -0.498 -6.107 1.00 0.00 C ATOM 371 CG LEU A 28 -6.378 -0.803 -7.383 1.00 0.00 C ATOM 372 CD1 LEU A 28 -5.856 -2.072 -8.039 1.00 0.00 C ATOM 373 CD2 LEU A 28 -7.863 -0.930 -7.077 1.00 0.00 C ATOM 0 H LEU A 28 -3.611 -1.717 -6.959 1.00 0.00 H new ATOM 0 HA LEU A 28 -4.306 0.903 -7.108 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -5.441 -1.432 -5.566 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -6.205 0.143 -5.472 1.00 0.00 H new ATOM 0 HG LEU A 28 -6.241 0.024 -8.079 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -6.426 -2.274 -8.946 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -4.804 -1.944 -8.293 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -5.963 -2.909 -7.349 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -8.407 -1.147 -7.996 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -8.020 -1.739 -6.363 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -8.228 0.005 -6.652 1.00 0.00 H new ATOM 385 N LEU A 29 -3.478 0.141 -3.996 1.00 0.00 N ATOM 386 CA LEU A 29 -3.067 0.717 -2.720 1.00 0.00 C ATOM 387 C LEU A 29 -1.986 1.774 -2.922 1.00 0.00 C ATOM 388 O LEU A 29 -2.134 2.919 -2.492 1.00 0.00 O ATOM 389 CB LEU A 29 -2.556 -0.380 -1.784 1.00 0.00 C ATOM 390 CG LEU A 29 -1.705 0.088 -0.604 1.00 0.00 C ATOM 391 CD1 LEU A 29 -2.572 0.772 0.442 1.00 0.00 C ATOM 392 CD2 LEU A 29 -0.953 -1.084 0.010 1.00 0.00 C ATOM 0 H LEU A 29 -3.471 -0.879 -4.020 1.00 0.00 H new ATOM 0 HA LEU A 29 -3.936 1.195 -2.269 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -3.415 -0.925 -1.393 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -1.970 -1.087 -2.371 1.00 0.00 H new ATOM 0 HG LEU A 29 -0.976 0.810 -0.972 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -1.949 1.098 1.274 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -3.065 1.636 -0.003 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -3.325 0.072 0.805 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -0.352 -0.732 0.849 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -1.666 -1.829 0.362 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -0.301 -1.531 -0.740 1.00 0.00 H new ATOM 404 N LEU A 30 -0.900 1.384 -3.580 1.00 0.00 N ATOM 405 CA LEU A 30 0.206 2.298 -3.841 1.00 0.00 C ATOM 406 C LEU A 30 -0.268 3.514 -4.630 1.00 0.00 C ATOM 407 O LEU A 30 0.119 4.645 -4.337 1.00 0.00 O ATOM 408 CB LEU A 30 1.317 1.580 -4.607 1.00 0.00 C ATOM 409 CG LEU A 30 2.280 0.741 -3.765 1.00 0.00 C ATOM 410 CD1 LEU A 30 2.952 -0.320 -4.621 1.00 0.00 C ATOM 411 CD2 LEU A 30 3.320 1.631 -3.100 1.00 0.00 C ATOM 0 H LEU A 30 -0.762 0.441 -3.943 1.00 0.00 H new ATOM 0 HA LEU A 30 0.597 2.640 -2.883 1.00 0.00 H new ATOM 0 HB2 LEU A 30 0.856 0.930 -5.351 1.00 0.00 H new ATOM 0 HB3 LEU A 30 1.897 2.326 -5.150 1.00 0.00 H new ATOM 0 HG LEU A 30 1.708 0.239 -2.985 1.00 0.00 H new ATOM 0 HD11 LEU A 30 3.633 -0.907 -4.005 1.00 0.00 H new ATOM 0 HD12 LEU A 30 2.194 -0.976 -5.049 1.00 0.00 H new ATOM 0 HD13 LEU A 30 3.511 0.161 -5.424 1.00 0.00 H new ATOM 0 HD21 LEU A 30 3.997 1.018 -2.505 1.00 0.00 H new ATOM 0 HD22 LEU A 30 3.888 2.161 -3.865 1.00 0.00 H new ATOM 0 HD23 LEU A 30 2.821 2.353 -2.453 1.00 0.00 H new ATOM 423 N GLU A 31 -1.109 3.273 -5.631 1.00 0.00 N ATOM 424 CA GLU A 31 -1.636 4.349 -6.462 1.00 0.00 C ATOM 425 C GLU A 31 -2.258 5.445 -5.601 1.00 0.00 C ATOM 426 O GLU A 31 -1.870 6.610 -5.685 1.00 0.00 O ATOM 427 CB GLU A 31 -2.676 3.803 -7.443 1.00 0.00 C ATOM 428 CG GLU A 31 -2.081 2.941 -8.543 1.00 0.00 C ATOM 429 CD GLU A 31 -1.130 3.711 -9.438 1.00 0.00 C ATOM 430 OE1 GLU A 31 -1.461 4.856 -9.811 1.00 0.00 O ATOM 431 OE2 GLU A 31 -0.055 3.168 -9.767 1.00 0.00 O ATOM 0 H GLU A 31 -1.440 2.342 -5.886 1.00 0.00 H new ATOM 0 HA GLU A 31 -0.808 4.779 -7.025 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -3.411 3.217 -6.891 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -3.210 4.639 -7.896 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -1.551 2.101 -8.094 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -2.886 2.524 -9.148 1.00 0.00 H new ATOM 438 N ALA A 32 -3.227 5.063 -4.775 1.00 0.00 N ATOM 439 CA ALA A 32 -3.902 6.011 -3.899 1.00 0.00 C ATOM 440 C ALA A 32 -2.930 6.617 -2.892 1.00 0.00 C ATOM 441 O ALA A 32 -3.031 7.795 -2.546 1.00 0.00 O ATOM 442 CB ALA A 32 -5.057 5.333 -3.177 1.00 0.00 C ATOM 0 H ALA A 32 -3.562 4.103 -4.695 1.00 0.00 H new ATOM 0 HA ALA A 32 -4.297 6.819 -4.515 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -5.552 6.053 -2.526 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -5.771 4.954 -3.908 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -4.676 4.505 -2.579 1.00 0.00 H new ATOM 448 N LEU A 33 -1.988 5.805 -2.424 1.00 0.00 N ATOM 449 CA LEU A 33 -0.997 6.260 -1.456 1.00 0.00 C ATOM 450 C LEU A 33 -0.286 7.515 -1.953 1.00 0.00 C ATOM 451 O LEU A 33 0.348 8.229 -1.177 1.00 0.00 O ATOM 452 CB LEU A 33 0.025 5.155 -1.184 1.00 0.00 C ATOM 453 CG LEU A 33 -0.341 4.156 -0.086 1.00 0.00 C ATOM 454 CD1 LEU A 33 0.662 3.014 -0.047 1.00 0.00 C ATOM 455 CD2 LEU A 33 -0.412 4.852 1.265 1.00 0.00 C ATOM 0 H LEU A 33 -1.890 4.828 -2.700 1.00 0.00 H new ATOM 0 HA LEU A 33 -1.516 6.502 -0.529 1.00 0.00 H new ATOM 0 HB2 LEU A 33 0.188 4.603 -2.110 1.00 0.00 H new ATOM 0 HB3 LEU A 33 0.974 5.622 -0.920 1.00 0.00 H new ATOM 0 HG LEU A 33 -1.324 3.741 -0.311 1.00 0.00 H new ATOM 0 HD11 LEU A 33 0.385 2.313 0.741 1.00 0.00 H new ATOM 0 HD12 LEU A 33 0.664 2.498 -1.007 1.00 0.00 H new ATOM 0 HD13 LEU A 33 1.657 3.411 0.154 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -0.674 4.126 2.035 1.00 0.00 H new ATOM 0 HD22 LEU A 33 0.557 5.295 1.498 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -1.170 5.635 1.232 1.00 0.00 H new ATOM 467 N GLU A 34 -0.400 7.778 -3.251 1.00 0.00 N ATOM 468 CA GLU A 34 0.230 8.949 -3.850 1.00 0.00 C ATOM 469 C GLU A 34 -0.681 10.168 -3.752 1.00 0.00 C ATOM 470 O GLU A 34 -0.221 11.282 -3.501 1.00 0.00 O ATOM 471 CB GLU A 34 0.577 8.674 -5.315 1.00 0.00 C ATOM 472 CG GLU A 34 1.581 7.550 -5.503 1.00 0.00 C ATOM 473 CD GLU A 34 2.994 7.963 -5.139 1.00 0.00 C ATOM 474 OE1 GLU A 34 3.660 8.605 -5.978 1.00 0.00 O ATOM 475 OE2 GLU A 34 3.434 7.643 -4.015 1.00 0.00 O ATOM 0 H GLU A 34 -0.922 7.197 -3.907 1.00 0.00 H new ATOM 0 HA GLU A 34 1.147 9.158 -3.299 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -0.337 8.427 -5.856 1.00 0.00 H new ATOM 0 HB3 GLU A 34 0.976 9.585 -5.762 1.00 0.00 H new ATOM 0 HG2 GLU A 34 1.286 6.698 -4.890 1.00 0.00 H new ATOM 0 HG3 GLU A 34 1.559 7.218 -6.541 1.00 0.00 H new ATOM 482 N MET A 35 -1.977 9.949 -3.952 1.00 0.00 N ATOM 483 CA MET A 35 -2.953 11.030 -3.885 1.00 0.00 C ATOM 484 C MET A 35 -3.530 11.155 -2.479 1.00 0.00 C ATOM 485 O MET A 35 -3.466 12.220 -1.863 1.00 0.00 O ATOM 486 CB MET A 35 -4.080 10.791 -4.892 1.00 0.00 C ATOM 487 CG MET A 35 -3.610 10.776 -6.337 1.00 0.00 C ATOM 488 SD MET A 35 -4.911 10.285 -7.485 1.00 0.00 S ATOM 489 CE MET A 35 -4.868 8.504 -7.304 1.00 0.00 C ATOM 0 H MET A 35 -2.375 9.033 -4.162 1.00 0.00 H new ATOM 0 HA MET A 35 -2.444 11.961 -4.134 1.00 0.00 H new ATOM 0 HB2 MET A 35 -4.563 9.840 -4.666 1.00 0.00 H new ATOM 0 HB3 MET A 35 -4.835 11.568 -4.772 1.00 0.00 H new ATOM 0 HG2 MET A 35 -3.247 11.768 -6.607 1.00 0.00 H new ATOM 0 HG3 MET A 35 -2.768 10.091 -6.434 1.00 0.00 H new ATOM 0 HE1 MET A 35 -4.675 8.044 -8.273 1.00 0.00 H new ATOM 0 HE2 MET A 35 -4.076 8.228 -6.608 1.00 0.00 H new ATOM 0 HE3 MET A 35 -5.826 8.154 -6.920 1.00 0.00 H new ATOM 499 N TYR A 36 -4.093 10.062 -1.976 1.00 0.00 N ATOM 500 CA TYR A 36 -4.684 10.051 -0.643 1.00 0.00 C ATOM 501 C TYR A 36 -3.686 9.539 0.391 1.00 0.00 C ATOM 502 O TYR A 36 -4.064 8.901 1.374 1.00 0.00 O ATOM 503 CB TYR A 36 -5.943 9.181 -0.627 1.00 0.00 C ATOM 504 CG TYR A 36 -6.745 9.255 -1.907 1.00 0.00 C ATOM 505 CD1 TYR A 36 -7.159 10.478 -2.421 1.00 0.00 C ATOM 506 CD2 TYR A 36 -7.091 8.102 -2.600 1.00 0.00 C ATOM 507 CE1 TYR A 36 -7.893 10.550 -3.589 1.00 0.00 C ATOM 508 CE2 TYR A 36 -7.823 8.164 -3.770 1.00 0.00 C ATOM 509 CZ TYR A 36 -8.222 9.391 -4.260 1.00 0.00 C ATOM 510 OH TYR A 36 -8.953 9.457 -5.424 1.00 0.00 O ATOM 0 H TYR A 36 -4.153 9.172 -2.471 1.00 0.00 H new ATOM 0 HA TYR A 36 -4.954 11.075 -0.385 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -5.657 8.145 -0.447 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -6.575 9.487 0.207 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -6.902 11.388 -1.898 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -6.782 7.140 -2.218 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -8.207 11.509 -3.975 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -8.081 7.258 -4.298 1.00 0.00 H new ATOM 0 HH TYR A 36 -9.098 8.552 -5.771 1.00 0.00 H new ATOM 520 N LYS A 37 -2.409 9.825 0.163 1.00 0.00 N ATOM 521 CA LYS A 37 -1.354 9.397 1.073 1.00 0.00 C ATOM 522 C LYS A 37 -1.830 9.452 2.522 1.00 0.00 C ATOM 523 O LYS A 37 -1.885 8.429 3.205 1.00 0.00 O ATOM 524 CB LYS A 37 -0.114 10.277 0.900 1.00 0.00 C ATOM 525 CG LYS A 37 1.014 9.935 1.858 1.00 0.00 C ATOM 526 CD LYS A 37 2.336 10.526 1.398 1.00 0.00 C ATOM 527 CE LYS A 37 3.430 10.318 2.433 1.00 0.00 C ATOM 528 NZ LYS A 37 3.795 8.882 2.575 1.00 0.00 N ATOM 0 H LYS A 37 -2.079 10.352 -0.646 1.00 0.00 H new ATOM 0 HA LYS A 37 -1.097 8.366 0.831 1.00 0.00 H new ATOM 0 HB2 LYS A 37 0.249 10.182 -0.123 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -0.396 11.320 1.042 1.00 0.00 H new ATOM 0 HG2 LYS A 37 0.774 10.310 2.853 1.00 0.00 H new ATOM 0 HG3 LYS A 37 1.107 8.852 1.939 1.00 0.00 H new ATOM 0 HD2 LYS A 37 2.633 10.066 0.456 1.00 0.00 H new ATOM 0 HD3 LYS A 37 2.212 11.592 1.207 1.00 0.00 H new ATOM 0 HE2 LYS A 37 4.313 10.890 2.148 1.00 0.00 H new ATOM 0 HE3 LYS A 37 3.097 10.705 3.396 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 4.579 8.788 3.252 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 2.973 8.347 2.921 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 4.089 8.506 1.651 1.00 0.00 H new ATOM 542 N ASP A 38 -2.173 10.649 2.982 1.00 0.00 N ATOM 543 CA ASP A 38 -2.647 10.836 4.348 1.00 0.00 C ATOM 544 C ASP A 38 -4.112 10.432 4.475 1.00 0.00 C ATOM 545 O ASP A 38 -4.476 9.646 5.350 1.00 0.00 O ATOM 546 CB ASP A 38 -2.468 12.293 4.778 1.00 0.00 C ATOM 547 CG ASP A 38 -2.959 13.271 3.729 1.00 0.00 C ATOM 548 OD1 ASP A 38 -4.154 13.631 3.766 1.00 0.00 O ATOM 549 OD2 ASP A 38 -2.147 13.677 2.871 1.00 0.00 O ATOM 0 H ASP A 38 -2.132 11.505 2.429 1.00 0.00 H new ATOM 0 HA ASP A 38 -2.054 10.197 5.002 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -3.008 12.463 5.710 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -1.414 12.482 4.981 1.00 0.00 H new ATOM 554 N ASP A 39 -4.949 10.976 3.598 1.00 0.00 N ATOM 555 CA ASP A 39 -6.375 10.672 3.611 1.00 0.00 C ATOM 556 C ASP A 39 -6.614 9.176 3.428 1.00 0.00 C ATOM 557 O ASP A 39 -6.948 8.721 2.335 1.00 0.00 O ATOM 558 CB ASP A 39 -7.095 11.454 2.512 1.00 0.00 C ATOM 559 CG ASP A 39 -7.008 12.954 2.717 1.00 0.00 C ATOM 560 OD1 ASP A 39 -7.042 13.397 3.884 1.00 0.00 O ATOM 561 OD2 ASP A 39 -6.905 13.685 1.709 1.00 0.00 O ATOM 0 H ASP A 39 -4.664 11.630 2.869 1.00 0.00 H new ATOM 0 HA ASP A 39 -6.776 10.970 4.580 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -6.663 11.197 1.545 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -8.143 11.154 2.483 1.00 0.00 H new ATOM 566 N TRP A 40 -6.439 8.419 4.505 1.00 0.00 N ATOM 567 CA TRP A 40 -6.635 6.974 4.463 1.00 0.00 C ATOM 568 C TRP A 40 -8.106 6.630 4.258 1.00 0.00 C ATOM 569 O TRP A 40 -8.441 5.731 3.488 1.00 0.00 O ATOM 570 CB TRP A 40 -6.122 6.332 5.753 1.00 0.00 C ATOM 571 CG TRP A 40 -4.630 6.371 5.884 1.00 0.00 C ATOM 572 CD1 TRP A 40 -3.890 7.311 6.544 1.00 0.00 C ATOM 573 CD2 TRP A 40 -3.697 5.431 5.341 1.00 0.00 C ATOM 574 NE1 TRP A 40 -2.553 7.011 6.443 1.00 0.00 N ATOM 575 CE2 TRP A 40 -2.408 5.862 5.711 1.00 0.00 C ATOM 576 CE3 TRP A 40 -3.824 4.266 4.581 1.00 0.00 C ATOM 577 CZ2 TRP A 40 -1.257 5.169 5.344 1.00 0.00 C ATOM 578 CZ3 TRP A 40 -2.682 3.579 4.217 1.00 0.00 C ATOM 579 CH2 TRP A 40 -1.412 4.032 4.599 1.00 0.00 C ATOM 0 H TRP A 40 -6.162 8.781 5.417 1.00 0.00 H new ATOM 0 HA TRP A 40 -6.069 6.579 3.619 1.00 0.00 H new ATOM 0 HB2 TRP A 40 -6.568 6.843 6.607 1.00 0.00 H new ATOM 0 HB3 TRP A 40 -6.456 5.295 5.792 1.00 0.00 H new ATOM 0 HD1 TRP A 40 -4.296 8.164 7.068 1.00 0.00 H new ATOM 0 HE1 TRP A 40 -1.791 7.556 6.848 1.00 0.00 H new ATOM 0 HE3 TRP A 40 -4.798 3.908 4.283 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 -0.277 5.517 5.637 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 -2.769 2.678 3.628 1.00 0.00 H new ATOM 0 HH2 TRP A 40 -0.538 3.472 4.299 1.00 0.00 H new ATOM 590 N ASN A 41 -8.980 7.351 4.952 1.00 0.00 N ATOM 591 CA ASN A 41 -10.416 7.120 4.846 1.00 0.00 C ATOM 592 C ASN A 41 -10.812 6.810 3.405 1.00 0.00 C ATOM 593 O ASN A 41 -11.499 5.825 3.137 1.00 0.00 O ATOM 594 CB ASN A 41 -11.189 8.342 5.347 1.00 0.00 C ATOM 595 CG ASN A 41 -12.534 7.972 5.941 1.00 0.00 C ATOM 596 OD1 ASN A 41 -13.195 7.042 5.478 1.00 0.00 O ATOM 597 ND2 ASN A 41 -12.947 8.701 6.971 1.00 0.00 N ATOM 0 H ASN A 41 -8.719 8.100 5.594 1.00 0.00 H new ATOM 0 HA ASN A 41 -10.667 6.260 5.467 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -10.594 8.862 6.098 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -11.339 9.037 4.521 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -13.845 8.499 7.411 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -12.366 9.463 7.322 1.00 0.00 H new ATOM 604 N LYS A 42 -10.374 7.658 2.482 1.00 0.00 N ATOM 605 CA LYS A 42 -10.679 7.476 1.068 1.00 0.00 C ATOM 606 C LYS A 42 -9.977 6.240 0.514 1.00 0.00 C ATOM 607 O LYS A 42 -10.582 5.435 -0.194 1.00 0.00 O ATOM 608 CB LYS A 42 -10.261 8.713 0.270 1.00 0.00 C ATOM 609 CG LYS A 42 -11.354 9.762 0.157 1.00 0.00 C ATOM 610 CD LYS A 42 -11.224 10.566 -1.126 1.00 0.00 C ATOM 611 CE LYS A 42 -10.214 11.694 -0.976 1.00 0.00 C ATOM 612 NZ LYS A 42 -10.450 12.784 -1.962 1.00 0.00 N ATOM 0 H LYS A 42 -9.806 8.480 2.688 1.00 0.00 H new ATOM 0 HA LYS A 42 -11.756 7.335 0.971 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -9.386 9.161 0.742 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -9.960 8.405 -0.731 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -12.330 9.277 0.186 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -11.306 10.433 1.015 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -10.918 9.908 -1.940 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -12.195 10.979 -1.398 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -10.270 12.100 0.034 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -9.206 11.299 -1.106 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -9.742 13.533 -1.827 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -10.372 12.403 -2.926 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -11.402 13.179 -1.822 1.00 0.00 H new ATOM 626 N VAL A 43 -8.697 6.095 0.843 1.00 0.00 N ATOM 627 CA VAL A 43 -7.914 4.955 0.381 1.00 0.00 C ATOM 628 C VAL A 43 -8.735 3.672 0.420 1.00 0.00 C ATOM 629 O VAL A 43 -8.809 2.940 -0.567 1.00 0.00 O ATOM 630 CB VAL A 43 -6.644 4.766 1.232 1.00 0.00 C ATOM 631 CG1 VAL A 43 -5.898 3.510 0.806 1.00 0.00 C ATOM 632 CG2 VAL A 43 -5.746 5.990 1.129 1.00 0.00 C ATOM 0 H VAL A 43 -8.181 6.752 1.427 1.00 0.00 H new ATOM 0 HA VAL A 43 -7.625 5.165 -0.649 1.00 0.00 H new ATOM 0 HB VAL A 43 -6.940 4.648 2.274 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -5.004 3.393 1.418 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -6.544 2.641 0.937 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -5.612 3.595 -0.242 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -4.854 5.839 1.737 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -5.456 6.142 0.089 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -6.284 6.867 1.487 1.00 0.00 H new ATOM 642 N SER A 44 -9.351 3.404 1.567 1.00 0.00 N ATOM 643 CA SER A 44 -10.165 2.206 1.737 1.00 0.00 C ATOM 644 C SER A 44 -11.017 1.949 0.498 1.00 0.00 C ATOM 645 O SER A 44 -11.047 0.837 -0.028 1.00 0.00 O ATOM 646 CB SER A 44 -11.063 2.344 2.968 1.00 0.00 C ATOM 647 OG SER A 44 -12.100 3.281 2.740 1.00 0.00 O ATOM 0 H SER A 44 -9.302 4.001 2.393 1.00 0.00 H new ATOM 0 HA SER A 44 -9.495 1.358 1.879 1.00 0.00 H new ATOM 0 HB2 SER A 44 -11.493 1.374 3.219 1.00 0.00 H new ATOM 0 HB3 SER A 44 -10.466 2.659 3.824 1.00 0.00 H new ATOM 0 HG SER A 44 -11.783 4.181 2.963 1.00 0.00 H new ATOM 653 N GLU A 45 -11.709 2.987 0.037 1.00 0.00 N ATOM 654 CA GLU A 45 -12.563 2.874 -1.139 1.00 0.00 C ATOM 655 C GLU A 45 -11.736 2.566 -2.384 1.00 0.00 C ATOM 656 O GLU A 45 -11.984 1.580 -3.080 1.00 0.00 O ATOM 657 CB GLU A 45 -13.357 4.165 -1.347 1.00 0.00 C ATOM 658 CG GLU A 45 -14.512 4.333 -0.374 1.00 0.00 C ATOM 659 CD GLU A 45 -15.616 3.319 -0.600 1.00 0.00 C ATOM 660 OE1 GLU A 45 -16.278 3.389 -1.657 1.00 0.00 O ATOM 661 OE2 GLU A 45 -15.820 2.457 0.280 1.00 0.00 O ATOM 0 H GLU A 45 -11.694 3.915 0.460 1.00 0.00 H new ATOM 0 HA GLU A 45 -13.259 2.052 -0.973 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -12.683 5.016 -1.248 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -13.745 4.183 -2.365 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -14.140 4.238 0.646 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -14.921 5.338 -0.472 1.00 0.00 H new ATOM 668 N HIS A 46 -10.753 3.417 -2.659 1.00 0.00 N ATOM 669 CA HIS A 46 -9.888 3.236 -3.820 1.00 0.00 C ATOM 670 C HIS A 46 -9.631 1.755 -4.082 1.00 0.00 C ATOM 671 O HIS A 46 -9.829 1.267 -5.194 1.00 0.00 O ATOM 672 CB HIS A 46 -8.562 3.968 -3.614 1.00 0.00 C ATOM 673 CG HIS A 46 -7.643 3.888 -4.794 1.00 0.00 C ATOM 674 ND1 HIS A 46 -7.581 4.864 -5.766 1.00 0.00 N ATOM 675 CD2 HIS A 46 -6.745 2.942 -5.155 1.00 0.00 C ATOM 676 CE1 HIS A 46 -6.686 4.520 -6.675 1.00 0.00 C ATOM 677 NE2 HIS A 46 -6.164 3.358 -6.327 1.00 0.00 N ATOM 0 H HIS A 46 -10.535 4.238 -2.095 1.00 0.00 H new ATOM 0 HA HIS A 46 -10.395 3.657 -4.688 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -8.766 5.016 -3.393 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -8.058 3.551 -2.742 1.00 0.00 H new ATOM 0 HD1 HIS A 46 -8.139 5.718 -5.781 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -6.526 2.029 -4.620 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -6.426 5.092 -7.553 1.00 0.00 H new ATOM 686 N VAL A 47 -9.187 1.046 -3.049 1.00 0.00 N ATOM 687 CA VAL A 47 -8.902 -0.379 -3.166 1.00 0.00 C ATOM 688 C VAL A 47 -10.170 -1.169 -3.470 1.00 0.00 C ATOM 689 O VAL A 47 -10.253 -1.867 -4.480 1.00 0.00 O ATOM 690 CB VAL A 47 -8.262 -0.932 -1.879 1.00 0.00 C ATOM 691 CG1 VAL A 47 -8.020 -2.428 -2.003 1.00 0.00 C ATOM 692 CG2 VAL A 47 -6.965 -0.197 -1.572 1.00 0.00 C ATOM 0 H VAL A 47 -9.017 1.435 -2.122 1.00 0.00 H new ATOM 0 HA VAL A 47 -8.198 -0.494 -3.990 1.00 0.00 H new ATOM 0 HB VAL A 47 -8.951 -0.768 -1.051 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -7.567 -2.801 -1.084 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -8.969 -2.937 -2.173 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -7.350 -2.620 -2.841 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -6.526 -0.600 -0.659 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -6.268 -0.329 -2.399 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -7.172 0.865 -1.437 1.00 0.00 H new ATOM 702 N GLY A 48 -11.158 -1.055 -2.587 1.00 0.00 N ATOM 703 CA GLY A 48 -12.410 -1.764 -2.778 1.00 0.00 C ATOM 704 C GLY A 48 -13.042 -2.188 -1.468 1.00 0.00 C ATOM 705 O GLY A 48 -13.933 -1.513 -0.953 1.00 0.00 O ATOM 0 H GLY A 48 -11.113 -0.484 -1.743 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -13.105 -1.126 -3.324 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -12.234 -2.645 -3.395 1.00 0.00 H new ATOM 709 N SER A 49 -12.581 -3.312 -0.927 1.00 0.00 N ATOM 710 CA SER A 49 -13.111 -3.829 0.330 1.00 0.00 C ATOM 711 C SER A 49 -12.009 -3.941 1.379 1.00 0.00 C ATOM 712 O SER A 49 -11.923 -4.934 2.101 1.00 0.00 O ATOM 713 CB SER A 49 -13.762 -5.195 0.109 1.00 0.00 C ATOM 714 OG SER A 49 -14.788 -5.431 1.057 1.00 0.00 O ATOM 0 H SER A 49 -11.842 -3.882 -1.339 1.00 0.00 H new ATOM 0 HA SER A 49 -13.864 -3.130 0.694 1.00 0.00 H new ATOM 0 HB2 SER A 49 -14.175 -5.246 -0.898 1.00 0.00 H new ATOM 0 HB3 SER A 49 -13.007 -5.977 0.184 1.00 0.00 H new ATOM 0 HG SER A 49 -15.189 -6.310 0.893 1.00 0.00 H new ATOM 720 N ARG A 50 -11.168 -2.915 1.457 1.00 0.00 N ATOM 721 CA ARG A 50 -10.070 -2.898 2.416 1.00 0.00 C ATOM 722 C ARG A 50 -10.171 -1.684 3.336 1.00 0.00 C ATOM 723 O ARG A 50 -10.143 -0.541 2.880 1.00 0.00 O ATOM 724 CB ARG A 50 -8.726 -2.887 1.686 1.00 0.00 C ATOM 725 CG ARG A 50 -8.460 -4.149 0.882 1.00 0.00 C ATOM 726 CD ARG A 50 -8.622 -5.397 1.735 1.00 0.00 C ATOM 727 NE ARG A 50 -7.937 -6.549 1.154 1.00 0.00 N ATOM 728 CZ ARG A 50 -7.912 -7.751 1.720 1.00 0.00 C ATOM 729 NH1 ARG A 50 -8.531 -7.957 2.875 1.00 0.00 N ATOM 730 NH2 ARG A 50 -7.268 -8.750 1.130 1.00 0.00 N ATOM 0 H ARG A 50 -11.226 -2.085 0.868 1.00 0.00 H new ATOM 0 HA ARG A 50 -10.138 -3.800 3.024 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -8.692 -2.027 1.018 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -7.927 -2.756 2.416 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -9.145 -4.194 0.036 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -7.450 -4.115 0.473 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -8.229 -5.207 2.734 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -9.682 -5.624 1.848 1.00 0.00 H new ATOM 0 HE ARG A 50 -7.452 -6.424 0.266 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -9.028 -7.192 3.331 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -8.510 -8.881 3.307 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -6.792 -8.596 0.241 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -7.249 -9.672 1.565 1.00 0.00 H new ATOM 744 N THR A 51 -10.289 -1.941 4.635 1.00 0.00 N ATOM 745 CA THR A 51 -10.396 -0.871 5.619 1.00 0.00 C ATOM 746 C THR A 51 -9.068 -0.142 5.785 1.00 0.00 C ATOM 747 O THR A 51 -8.001 -0.734 5.627 1.00 0.00 O ATOM 748 CB THR A 51 -10.846 -1.411 6.990 1.00 0.00 C ATOM 749 OG1 THR A 51 -11.006 -0.330 7.914 1.00 0.00 O ATOM 750 CG2 THR A 51 -9.835 -2.408 7.537 1.00 0.00 C ATOM 0 H THR A 51 -10.313 -2.881 5.030 1.00 0.00 H new ATOM 0 HA THR A 51 -11.147 -0.174 5.247 1.00 0.00 H new ATOM 0 HB THR A 51 -11.801 -1.920 6.860 1.00 0.00 H new ATOM 0 HG1 THR A 51 -10.237 -0.302 8.521 1.00 0.00 H new ATOM 0 HG21 THR A 51 -10.174 -2.776 8.506 1.00 0.00 H new ATOM 0 HG22 THR A 51 -9.738 -3.245 6.845 1.00 0.00 H new ATOM 0 HG23 THR A 51 -8.868 -1.919 7.653 1.00 0.00 H new ATOM 758 N GLN A 52 -9.141 1.146 6.104 1.00 0.00 N ATOM 759 CA GLN A 52 -7.943 1.956 6.291 1.00 0.00 C ATOM 760 C GLN A 52 -6.827 1.137 6.932 1.00 0.00 C ATOM 761 O GLN A 52 -5.749 0.983 6.358 1.00 0.00 O ATOM 762 CB GLN A 52 -8.257 3.177 7.157 1.00 0.00 C ATOM 763 CG GLN A 52 -9.128 4.209 6.460 1.00 0.00 C ATOM 764 CD GLN A 52 -9.604 5.301 7.398 1.00 0.00 C ATOM 765 OE1 GLN A 52 -10.805 5.487 7.594 1.00 0.00 O ATOM 766 NE2 GLN A 52 -8.662 6.031 7.983 1.00 0.00 N ATOM 0 H GLN A 52 -10.017 1.651 6.238 1.00 0.00 H new ATOM 0 HA GLN A 52 -7.606 2.292 5.311 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -8.757 2.847 8.068 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -7.322 3.648 7.459 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -8.567 4.658 5.641 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -9.992 3.712 6.020 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -7.678 5.842 7.792 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -8.922 6.781 8.624 1.00 0.00 H new ATOM 775 N ASP A 53 -7.093 0.614 8.124 1.00 0.00 N ATOM 776 CA ASP A 53 -6.112 -0.190 8.842 1.00 0.00 C ATOM 777 C ASP A 53 -5.415 -1.167 7.901 1.00 0.00 C ATOM 778 O ASP A 53 -4.191 -1.156 7.774 1.00 0.00 O ATOM 779 CB ASP A 53 -6.784 -0.954 9.984 1.00 0.00 C ATOM 780 CG ASP A 53 -7.794 -0.106 10.733 1.00 0.00 C ATOM 781 OD1 ASP A 53 -8.823 0.263 10.129 1.00 0.00 O ATOM 782 OD2 ASP A 53 -7.555 0.189 11.922 1.00 0.00 O ATOM 0 H ASP A 53 -7.980 0.733 8.613 1.00 0.00 H new ATOM 0 HA ASP A 53 -5.362 0.483 9.257 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -7.282 -1.837 9.583 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -6.022 -1.306 10.680 1.00 0.00 H new ATOM 787 N GLU A 54 -6.204 -2.012 7.243 1.00 0.00 N ATOM 788 CA GLU A 54 -5.662 -2.997 6.315 1.00 0.00 C ATOM 789 C GLU A 54 -4.747 -2.332 5.290 1.00 0.00 C ATOM 790 O GLU A 54 -3.555 -2.635 5.217 1.00 0.00 O ATOM 791 CB GLU A 54 -6.795 -3.735 5.600 1.00 0.00 C ATOM 792 CG GLU A 54 -7.528 -4.729 6.486 1.00 0.00 C ATOM 793 CD GLU A 54 -8.554 -5.544 5.723 1.00 0.00 C ATOM 794 OE1 GLU A 54 -9.486 -4.940 5.152 1.00 0.00 O ATOM 795 OE2 GLU A 54 -8.425 -6.786 5.698 1.00 0.00 O ATOM 0 H GLU A 54 -7.220 -2.034 7.336 1.00 0.00 H new ATOM 0 HA GLU A 54 -5.076 -3.715 6.889 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -7.509 -3.005 5.219 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -6.387 -4.262 4.738 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -6.805 -5.402 6.947 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -8.024 -4.192 7.295 1.00 0.00 H new ATOM 802 N CYS A 55 -5.313 -1.427 4.500 1.00 0.00 N ATOM 803 CA CYS A 55 -4.550 -0.720 3.477 1.00 0.00 C ATOM 804 C CYS A 55 -3.172 -0.327 4.001 1.00 0.00 C ATOM 805 O CYS A 55 -2.174 -0.431 3.289 1.00 0.00 O ATOM 806 CB CYS A 55 -5.308 0.525 3.015 1.00 0.00 C ATOM 807 SG CYS A 55 -6.910 0.175 2.256 1.00 0.00 S ATOM 0 H CYS A 55 -6.298 -1.165 4.548 1.00 0.00 H new ATOM 0 HA CYS A 55 -4.418 -1.391 2.628 1.00 0.00 H new ATOM 0 HB2 CYS A 55 -5.460 1.183 3.871 1.00 0.00 H new ATOM 0 HB3 CYS A 55 -4.690 1.069 2.300 1.00 0.00 H new ATOM 0 HG CYS A 55 -7.855 0.376 3.125 1.00 0.00 H new ATOM 813 N ILE A 56 -3.127 0.125 5.250 1.00 0.00 N ATOM 814 CA ILE A 56 -1.873 0.534 5.868 1.00 0.00 C ATOM 815 C ILE A 56 -0.932 -0.653 6.041 1.00 0.00 C ATOM 816 O ILE A 56 0.220 -0.615 5.607 1.00 0.00 O ATOM 817 CB ILE A 56 -2.110 1.191 7.241 1.00 0.00 C ATOM 818 CG1 ILE A 56 -3.006 2.422 7.094 1.00 0.00 C ATOM 819 CG2 ILE A 56 -0.784 1.568 7.884 1.00 0.00 C ATOM 820 CD1 ILE A 56 -3.607 2.892 8.401 1.00 0.00 C ATOM 0 H ILE A 56 -3.945 0.217 5.853 1.00 0.00 H new ATOM 0 HA ILE A 56 -1.415 1.263 5.199 1.00 0.00 H new ATOM 0 HB ILE A 56 -2.614 0.473 7.888 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -2.425 3.234 6.658 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -3.810 2.194 6.395 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -0.968 2.031 8.853 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -0.178 0.672 8.019 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -0.255 2.271 7.241 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -4.230 3.768 8.221 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -4.216 2.095 8.829 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -2.809 3.152 9.096 1.00 0.00 H new ATOM 832 N LEU A 57 -1.431 -1.708 6.676 1.00 0.00 N ATOM 833 CA LEU A 57 -0.635 -2.910 6.905 1.00 0.00 C ATOM 834 C LEU A 57 -0.019 -3.411 5.602 1.00 0.00 C ATOM 835 O LEU A 57 1.203 -3.498 5.475 1.00 0.00 O ATOM 836 CB LEU A 57 -1.500 -4.007 7.528 1.00 0.00 C ATOM 837 CG LEU A 57 -2.263 -3.621 8.796 1.00 0.00 C ATOM 838 CD1 LEU A 57 -3.161 -4.762 9.247 1.00 0.00 C ATOM 839 CD2 LEU A 57 -1.295 -3.232 9.903 1.00 0.00 C ATOM 0 H LEU A 57 -2.382 -1.756 7.041 1.00 0.00 H new ATOM 0 HA LEU A 57 0.171 -2.657 7.593 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -2.221 -4.341 6.782 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -0.861 -4.859 7.758 1.00 0.00 H new ATOM 0 HG LEU A 57 -2.891 -2.759 8.571 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -3.696 -4.469 10.150 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -3.878 -4.993 8.460 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -2.554 -5.643 9.455 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -1.855 -2.960 10.798 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -0.641 -4.074 10.127 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -0.694 -2.382 9.579 1.00 0.00 H new ATOM 851 N HIS A 58 -0.872 -3.737 4.637 1.00 0.00 N ATOM 852 CA HIS A 58 -0.411 -4.227 3.343 1.00 0.00 C ATOM 853 C HIS A 58 0.832 -3.469 2.886 1.00 0.00 C ATOM 854 O HIS A 58 1.789 -4.066 2.393 1.00 0.00 O ATOM 855 CB HIS A 58 -1.519 -4.089 2.298 1.00 0.00 C ATOM 856 CG HIS A 58 -1.255 -4.858 1.040 1.00 0.00 C ATOM 857 ND1 HIS A 58 -0.826 -6.169 1.035 1.00 0.00 N ATOM 858 CD2 HIS A 58 -1.362 -4.494 -0.260 1.00 0.00 C ATOM 859 CE1 HIS A 58 -0.680 -6.577 -0.213 1.00 0.00 C ATOM 860 NE2 HIS A 58 -0.999 -5.580 -1.018 1.00 0.00 N ATOM 0 H HIS A 58 -1.886 -3.671 4.726 1.00 0.00 H new ATOM 0 HA HIS A 58 -0.153 -5.280 3.452 1.00 0.00 H new ATOM 0 HB2 HIS A 58 -2.460 -4.429 2.731 1.00 0.00 H new ATOM 0 HB3 HIS A 58 -1.644 -3.035 2.050 1.00 0.00 H new ATOM 0 HD1 HIS A 58 -0.649 -6.735 1.865 1.00 0.00 H new ATOM 0 HD2 HIS A 58 -1.675 -3.529 -0.631 1.00 0.00 H new ATOM 0 HE1 HIS A 58 -0.355 -7.559 -0.522 1.00 0.00 H new ATOM 869 N PHE A 59 0.810 -2.151 3.053 1.00 0.00 N ATOM 870 CA PHE A 59 1.934 -1.311 2.657 1.00 0.00 C ATOM 871 C PHE A 59 3.192 -1.684 3.435 1.00 0.00 C ATOM 872 O PHE A 59 4.197 -2.096 2.854 1.00 0.00 O ATOM 873 CB PHE A 59 1.600 0.165 2.881 1.00 0.00 C ATOM 874 CG PHE A 59 2.735 1.093 2.557 1.00 0.00 C ATOM 875 CD1 PHE A 59 2.956 1.510 1.254 1.00 0.00 C ATOM 876 CD2 PHE A 59 3.582 1.548 3.554 1.00 0.00 C ATOM 877 CE1 PHE A 59 4.000 2.364 0.952 1.00 0.00 C ATOM 878 CE2 PHE A 59 4.627 2.403 3.258 1.00 0.00 C ATOM 879 CZ PHE A 59 4.837 2.810 1.955 1.00 0.00 C ATOM 0 H PHE A 59 0.026 -1.641 3.460 1.00 0.00 H new ATOM 0 HA PHE A 59 2.122 -1.476 1.596 1.00 0.00 H new ATOM 0 HB2 PHE A 59 0.738 0.431 2.269 1.00 0.00 H new ATOM 0 HB3 PHE A 59 1.309 0.309 3.921 1.00 0.00 H new ATOM 0 HD1 PHE A 59 2.305 1.164 0.465 1.00 0.00 H new ATOM 0 HD2 PHE A 59 3.424 1.231 4.574 1.00 0.00 H new ATOM 0 HE1 PHE A 59 4.161 2.682 -0.068 1.00 0.00 H new ATOM 0 HE2 PHE A 59 5.279 2.753 4.045 1.00 0.00 H new ATOM 0 HZ PHE A 59 5.655 3.476 1.721 1.00 0.00 H new ATOM 889 N LEU A 60 3.130 -1.535 4.754 1.00 0.00 N ATOM 890 CA LEU A 60 4.264 -1.856 5.614 1.00 0.00 C ATOM 891 C LEU A 60 4.928 -3.158 5.178 1.00 0.00 C ATOM 892 O LEU A 60 6.148 -3.299 5.253 1.00 0.00 O ATOM 893 CB LEU A 60 3.809 -1.964 7.071 1.00 0.00 C ATOM 894 CG LEU A 60 3.652 -0.644 7.826 1.00 0.00 C ATOM 895 CD1 LEU A 60 4.940 0.163 7.763 1.00 0.00 C ATOM 896 CD2 LEU A 60 2.490 0.159 7.260 1.00 0.00 C ATOM 0 H LEU A 60 2.307 -1.194 5.251 1.00 0.00 H new ATOM 0 HA LEU A 60 4.994 -1.052 5.526 1.00 0.00 H new ATOM 0 HB2 LEU A 60 2.854 -2.488 7.094 1.00 0.00 H new ATOM 0 HB3 LEU A 60 4.526 -2.584 7.609 1.00 0.00 H new ATOM 0 HG LEU A 60 3.438 -0.868 8.871 1.00 0.00 H new ATOM 0 HD11 LEU A 60 4.810 1.099 8.306 1.00 0.00 H new ATOM 0 HD12 LEU A 60 5.750 -0.409 8.215 1.00 0.00 H new ATOM 0 HD13 LEU A 60 5.184 0.378 6.723 1.00 0.00 H new ATOM 0 HD21 LEU A 60 2.393 1.095 7.809 1.00 0.00 H new ATOM 0 HD22 LEU A 60 2.674 0.373 6.207 1.00 0.00 H new ATOM 0 HD23 LEU A 60 1.569 -0.416 7.357 1.00 0.00 H new ATOM 908 N ARG A 61 4.116 -4.105 4.721 1.00 0.00 N ATOM 909 CA ARG A 61 4.625 -5.396 4.271 1.00 0.00 C ATOM 910 C ARG A 61 5.463 -5.239 3.006 1.00 0.00 C ATOM 911 O ARG A 61 6.550 -5.807 2.894 1.00 0.00 O ATOM 912 CB ARG A 61 3.468 -6.362 4.013 1.00 0.00 C ATOM 913 CG ARG A 61 2.547 -6.544 5.209 1.00 0.00 C ATOM 914 CD ARG A 61 1.471 -7.581 4.931 1.00 0.00 C ATOM 915 NE ARG A 61 0.973 -8.196 6.159 1.00 0.00 N ATOM 916 CZ ARG A 61 1.669 -9.070 6.877 1.00 0.00 C ATOM 917 NH1 ARG A 61 2.886 -9.429 6.493 1.00 0.00 N ATOM 918 NH2 ARG A 61 1.148 -9.586 7.983 1.00 0.00 N ATOM 0 H ARG A 61 3.103 -4.003 4.652 1.00 0.00 H new ATOM 0 HA ARG A 61 5.260 -5.803 5.058 1.00 0.00 H new ATOM 0 HB2 ARG A 61 2.884 -5.998 3.168 1.00 0.00 H new ATOM 0 HB3 ARG A 61 3.873 -7.332 3.726 1.00 0.00 H new ATOM 0 HG2 ARG A 61 3.132 -6.849 6.077 1.00 0.00 H new ATOM 0 HG3 ARG A 61 2.080 -5.591 5.458 1.00 0.00 H new ATOM 0 HD2 ARG A 61 0.643 -7.111 4.399 1.00 0.00 H new ATOM 0 HD3 ARG A 61 1.873 -8.354 4.276 1.00 0.00 H new ATOM 0 HE ARG A 61 0.040 -7.940 6.483 1.00 0.00 H new ATOM 0 HH11 ARG A 61 3.290 -9.034 5.644 1.00 0.00 H new ATOM 0 HH12 ARG A 61 3.418 -10.100 7.047 1.00 0.00 H new ATOM 0 HH21 ARG A 61 0.212 -9.311 8.282 1.00 0.00 H new ATOM 0 HH22 ARG A 61 1.683 -10.257 8.534 1.00 0.00 H new ATOM 932 N LEU A 62 4.950 -4.465 2.055 1.00 0.00 N ATOM 933 CA LEU A 62 5.650 -4.234 0.797 1.00 0.00 C ATOM 934 C LEU A 62 7.158 -4.165 1.017 1.00 0.00 C ATOM 935 O LEU A 62 7.637 -3.821 2.098 1.00 0.00 O ATOM 936 CB LEU A 62 5.159 -2.939 0.148 1.00 0.00 C ATOM 937 CG LEU A 62 3.726 -2.957 -0.387 1.00 0.00 C ATOM 938 CD1 LEU A 62 3.197 -1.540 -0.543 1.00 0.00 C ATOM 939 CD2 LEU A 62 3.661 -3.702 -1.712 1.00 0.00 C ATOM 0 H LEU A 62 4.052 -3.987 2.132 1.00 0.00 H new ATOM 0 HA LEU A 62 5.436 -5.071 0.132 1.00 0.00 H new ATOM 0 HB2 LEU A 62 5.242 -2.135 0.880 1.00 0.00 H new ATOM 0 HB3 LEU A 62 5.830 -2.692 -0.675 1.00 0.00 H new ATOM 0 HG LEU A 62 3.096 -3.481 0.332 1.00 0.00 H new ATOM 0 HD11 LEU A 62 2.176 -1.573 -0.925 1.00 0.00 H new ATOM 0 HD12 LEU A 62 3.207 -1.039 0.425 1.00 0.00 H new ATOM 0 HD13 LEU A 62 3.828 -0.991 -1.242 1.00 0.00 H new ATOM 0 HD21 LEU A 62 2.634 -3.705 -2.078 1.00 0.00 H new ATOM 0 HD22 LEU A 62 4.304 -3.207 -2.440 1.00 0.00 H new ATOM 0 HD23 LEU A 62 3.998 -4.729 -1.569 1.00 0.00 H new ATOM 951 N PRO A 63 7.926 -4.498 -0.031 1.00 0.00 N ATOM 952 CA PRO A 63 9.390 -4.480 0.022 1.00 0.00 C ATOM 953 C PRO A 63 9.949 -3.064 0.106 1.00 0.00 C ATOM 954 O PRO A 63 9.744 -2.251 -0.796 1.00 0.00 O ATOM 955 CB PRO A 63 9.802 -5.140 -1.296 1.00 0.00 C ATOM 956 CG PRO A 63 8.653 -4.902 -2.214 1.00 0.00 C ATOM 957 CD PRO A 63 7.422 -4.919 -1.350 1.00 0.00 C ATOM 0 HA PRO A 63 9.772 -4.990 0.907 1.00 0.00 H new ATOM 0 HB2 PRO A 63 10.720 -4.702 -1.688 1.00 0.00 H new ATOM 0 HB3 PRO A 63 9.989 -6.206 -1.164 1.00 0.00 H new ATOM 0 HG2 PRO A 63 8.756 -3.946 -2.728 1.00 0.00 H new ATOM 0 HG3 PRO A 63 8.601 -5.673 -2.982 1.00 0.00 H new ATOM 0 HD2 PRO A 63 6.658 -4.237 -1.725 1.00 0.00 H new ATOM 0 HD3 PRO A 63 6.972 -5.911 -1.311 1.00 0.00 H new ATOM 965 N ILE A 64 10.657 -2.775 1.194 1.00 0.00 N ATOM 966 CA ILE A 64 11.246 -1.457 1.393 1.00 0.00 C ATOM 967 C ILE A 64 12.733 -1.463 1.054 1.00 0.00 C ATOM 968 O ILE A 64 13.463 -2.378 1.435 1.00 0.00 O ATOM 969 CB ILE A 64 11.064 -0.973 2.844 1.00 0.00 C ATOM 970 CG1 ILE A 64 11.430 -2.088 3.826 1.00 0.00 C ATOM 971 CG2 ILE A 64 9.634 -0.507 3.071 1.00 0.00 C ATOM 972 CD1 ILE A 64 11.767 -1.585 5.212 1.00 0.00 C ATOM 0 H ILE A 64 10.836 -3.436 1.950 1.00 0.00 H new ATOM 0 HA ILE A 64 10.725 -0.774 0.722 1.00 0.00 H new ATOM 0 HB ILE A 64 11.732 -0.129 3.017 1.00 0.00 H new ATOM 0 HG12 ILE A 64 10.598 -2.788 3.895 1.00 0.00 H new ATOM 0 HG13 ILE A 64 12.282 -2.643 3.432 1.00 0.00 H new ATOM 0 HG21 ILE A 64 9.521 -0.168 4.101 1.00 0.00 H new ATOM 0 HG22 ILE A 64 9.407 0.314 2.392 1.00 0.00 H new ATOM 0 HG23 ILE A 64 8.948 -1.333 2.884 1.00 0.00 H new ATOM 0 HD11 ILE A 64 12.016 -2.429 5.855 1.00 0.00 H new ATOM 0 HD12 ILE A 64 12.619 -0.907 5.156 1.00 0.00 H new ATOM 0 HD13 ILE A 64 10.909 -1.055 5.625 1.00 0.00 H new ATOM 984 N GLU A 65 13.175 -0.435 0.336 1.00 0.00 N ATOM 985 CA GLU A 65 14.575 -0.321 -0.054 1.00 0.00 C ATOM 986 C GLU A 65 15.420 0.207 1.102 1.00 0.00 C ATOM 987 O GLU A 65 14.914 0.887 1.995 1.00 0.00 O ATOM 988 CB GLU A 65 14.717 0.600 -1.267 1.00 0.00 C ATOM 989 CG GLU A 65 14.668 2.078 -0.918 1.00 0.00 C ATOM 990 CD GLU A 65 13.296 2.522 -0.451 1.00 0.00 C ATOM 991 OE1 GLU A 65 12.299 2.157 -1.109 1.00 0.00 O ATOM 992 OE2 GLU A 65 13.218 3.234 0.571 1.00 0.00 O ATOM 0 H GLU A 65 12.583 0.331 0.013 1.00 0.00 H new ATOM 0 HA GLU A 65 14.934 -1.315 -0.319 1.00 0.00 H new ATOM 0 HB2 GLU A 65 15.661 0.385 -1.768 1.00 0.00 H new ATOM 0 HB3 GLU A 65 13.921 0.376 -1.977 1.00 0.00 H new ATOM 0 HG2 GLU A 65 15.399 2.287 -0.137 1.00 0.00 H new ATOM 0 HG3 GLU A 65 14.958 2.663 -1.791 1.00 0.00 H new ATOM 999 N ASP A 66 16.710 -0.110 1.077 1.00 0.00 N ATOM 1000 CA ASP A 66 17.627 0.333 2.121 1.00 0.00 C ATOM 1001 C ASP A 66 19.073 0.259 1.642 1.00 0.00 C ATOM 1002 O ASP A 66 19.479 -0.682 0.958 1.00 0.00 O ATOM 1003 CB ASP A 66 17.449 -0.518 3.379 1.00 0.00 C ATOM 1004 CG ASP A 66 17.994 0.162 4.620 1.00 0.00 C ATOM 1005 OD1 ASP A 66 17.413 1.186 5.038 1.00 0.00 O ATOM 1006 OD2 ASP A 66 19.001 -0.328 5.173 1.00 0.00 O ATOM 0 H ASP A 66 17.144 -0.672 0.345 1.00 0.00 H new ATOM 0 HA ASP A 66 17.395 1.371 2.358 1.00 0.00 H new ATOM 0 HB2 ASP A 66 16.390 -0.733 3.522 1.00 0.00 H new ATOM 0 HB3 ASP A 66 17.953 -1.475 3.241 1.00 0.00 H new ATOM 1011 N PRO A 67 19.870 1.274 2.006 1.00 0.00 N ATOM 1012 CA PRO A 67 21.283 1.347 1.624 1.00 0.00 C ATOM 1013 C PRO A 67 22.131 0.297 2.334 1.00 0.00 C ATOM 1014 O PRO A 67 23.041 -0.284 1.742 1.00 0.00 O ATOM 1015 CB PRO A 67 21.697 2.754 2.063 1.00 0.00 C ATOM 1016 CG PRO A 67 20.754 3.100 3.163 1.00 0.00 C ATOM 1017 CD PRO A 67 19.454 2.428 2.821 1.00 0.00 C ATOM 0 HA PRO A 67 21.428 1.157 0.560 1.00 0.00 H new ATOM 0 HB2 PRO A 67 22.731 2.773 2.407 1.00 0.00 H new ATOM 0 HB3 PRO A 67 21.622 3.464 1.239 1.00 0.00 H new ATOM 0 HG2 PRO A 67 21.132 2.752 4.125 1.00 0.00 H new ATOM 0 HG3 PRO A 67 20.626 4.180 3.242 1.00 0.00 H new ATOM 0 HD2 PRO A 67 18.916 2.115 3.716 1.00 0.00 H new ATOM 0 HD3 PRO A 67 18.791 3.093 2.267 1.00 0.00 H new ATOM 1025 N TYR A 68 21.827 0.058 3.605 1.00 0.00 N ATOM 1026 CA TYR A 68 22.563 -0.921 4.396 1.00 0.00 C ATOM 1027 C TYR A 68 21.807 -2.244 4.466 1.00 0.00 C ATOM 1028 O TYR A 68 21.685 -2.848 5.532 1.00 0.00 O ATOM 1029 CB TYR A 68 22.809 -0.386 5.808 1.00 0.00 C ATOM 1030 CG TYR A 68 21.544 -0.216 6.620 1.00 0.00 C ATOM 1031 CD1 TYR A 68 20.771 0.932 6.505 1.00 0.00 C ATOM 1032 CD2 TYR A 68 21.123 -1.204 7.501 1.00 0.00 C ATOM 1033 CE1 TYR A 68 19.615 1.092 7.245 1.00 0.00 C ATOM 1034 CE2 TYR A 68 19.969 -1.054 8.244 1.00 0.00 C ATOM 1035 CZ TYR A 68 19.218 0.096 8.113 1.00 0.00 C ATOM 1036 OH TYR A 68 18.067 0.251 8.851 1.00 0.00 O ATOM 0 H TYR A 68 21.076 0.529 4.109 1.00 0.00 H new ATOM 0 HA TYR A 68 23.522 -1.097 3.909 1.00 0.00 H new ATOM 0 HB2 TYR A 68 23.479 -1.066 6.333 1.00 0.00 H new ATOM 0 HB3 TYR A 68 23.319 0.575 5.740 1.00 0.00 H new ATOM 0 HD1 TYR A 68 21.079 1.713 5.826 1.00 0.00 H new ATOM 0 HD2 TYR A 68 21.709 -2.105 7.607 1.00 0.00 H new ATOM 0 HE1 TYR A 68 19.026 1.992 7.144 1.00 0.00 H new ATOM 0 HE2 TYR A 68 19.656 -1.832 8.924 1.00 0.00 H new ATOM 0 HH TYR A 68 17.929 -0.541 9.412 1.00 0.00 H new ATOM 1046 N LEU A 69 21.300 -2.689 3.321 1.00 0.00 N ATOM 1047 CA LEU A 69 20.556 -3.942 3.250 1.00 0.00 C ATOM 1048 C LEU A 69 21.497 -5.124 3.042 1.00 0.00 C ATOM 1049 O LEU A 69 21.705 -5.573 1.915 1.00 0.00 O ATOM 1050 CB LEU A 69 19.532 -3.885 2.115 1.00 0.00 C ATOM 1051 CG LEU A 69 18.740 -5.169 1.861 1.00 0.00 C ATOM 1052 CD1 LEU A 69 17.575 -5.278 2.832 1.00 0.00 C ATOM 1053 CD2 LEU A 69 18.244 -5.213 0.423 1.00 0.00 C ATOM 0 H LEU A 69 21.391 -2.201 2.430 1.00 0.00 H new ATOM 0 HA LEU A 69 20.034 -4.080 4.197 1.00 0.00 H new ATOM 0 HB2 LEU A 69 18.826 -3.083 2.329 1.00 0.00 H new ATOM 0 HB3 LEU A 69 20.052 -3.615 1.196 1.00 0.00 H new ATOM 0 HG LEU A 69 19.402 -6.020 2.023 1.00 0.00 H new ATOM 0 HD11 LEU A 69 17.023 -6.197 2.636 1.00 0.00 H new ATOM 0 HD12 LEU A 69 17.953 -5.292 3.854 1.00 0.00 H new ATOM 0 HD13 LEU A 69 16.912 -4.422 2.703 1.00 0.00 H new ATOM 0 HD21 LEU A 69 17.683 -6.133 0.260 1.00 0.00 H new ATOM 0 HD22 LEU A 69 17.598 -4.355 0.235 1.00 0.00 H new ATOM 0 HD23 LEU A 69 19.096 -5.182 -0.257 1.00 0.00 H new ATOM 1065 N GLU A 70 22.062 -5.624 4.137 1.00 0.00 N ATOM 1066 CA GLU A 70 22.980 -6.755 4.073 1.00 0.00 C ATOM 1067 C GLU A 70 22.246 -8.067 4.336 1.00 0.00 C ATOM 1068 O GLU A 70 22.074 -8.475 5.484 1.00 0.00 O ATOM 1069 CB GLU A 70 24.112 -6.579 5.088 1.00 0.00 C ATOM 1070 CG GLU A 70 25.089 -7.742 5.117 1.00 0.00 C ATOM 1071 CD GLU A 70 26.331 -7.440 5.932 1.00 0.00 C ATOM 1072 OE1 GLU A 70 26.781 -6.275 5.918 1.00 0.00 O ATOM 1073 OE2 GLU A 70 26.855 -8.368 6.584 1.00 0.00 O ATOM 0 H GLU A 70 21.900 -5.264 5.078 1.00 0.00 H new ATOM 0 HA GLU A 70 23.403 -6.790 3.069 1.00 0.00 H new ATOM 0 HB2 GLU A 70 24.657 -5.663 4.857 1.00 0.00 H new ATOM 0 HB3 GLU A 70 23.682 -6.452 6.081 1.00 0.00 H new ATOM 0 HG2 GLU A 70 24.592 -8.619 5.531 1.00 0.00 H new ATOM 0 HG3 GLU A 70 25.380 -7.992 4.097 1.00 0.00 H new ATOM 1080 N ASN A 71 21.815 -8.722 3.263 1.00 0.00 N ATOM 1081 CA ASN A 71 21.098 -9.987 3.376 1.00 0.00 C ATOM 1082 C ASN A 71 21.017 -10.690 2.025 1.00 0.00 C ATOM 1083 O ASN A 71 20.893 -10.044 0.984 1.00 0.00 O ATOM 1084 CB ASN A 71 19.690 -9.752 3.926 1.00 0.00 C ATOM 1085 CG ASN A 71 18.798 -9.023 2.940 1.00 0.00 C ATOM 1086 OD1 ASN A 71 19.261 -8.542 1.905 1.00 0.00 O ATOM 1087 ND2 ASN A 71 17.512 -8.937 3.257 1.00 0.00 N ATOM 0 H ASN A 71 21.950 -8.398 2.305 1.00 0.00 H new ATOM 0 HA ASN A 71 21.649 -10.627 4.066 1.00 0.00 H new ATOM 0 HB2 ASN A 71 19.238 -10.711 4.181 1.00 0.00 H new ATOM 0 HB3 ASN A 71 19.755 -9.175 4.848 1.00 0.00 H new ATOM 0 HD21 ASN A 71 16.864 -8.458 2.632 1.00 0.00 H new ATOM 0 HD22 ASN A 71 17.172 -9.350 4.125 1.00 0.00 H new ATOM 1094 N SER A 72 21.089 -12.017 2.049 1.00 0.00 N ATOM 1095 CA SER A 72 21.027 -12.808 0.825 1.00 0.00 C ATOM 1096 C SER A 72 19.917 -13.851 0.908 1.00 0.00 C ATOM 1097 O SER A 72 20.119 -14.949 1.428 1.00 0.00 O ATOM 1098 CB SER A 72 22.370 -13.495 0.568 1.00 0.00 C ATOM 1099 OG SER A 72 23.258 -12.635 -0.125 1.00 0.00 O ATOM 0 H SER A 72 21.190 -12.567 2.902 1.00 0.00 H new ATOM 0 HA SER A 72 20.807 -12.134 -0.003 1.00 0.00 H new ATOM 0 HB2 SER A 72 22.816 -13.796 1.516 1.00 0.00 H new ATOM 0 HB3 SER A 72 22.212 -14.404 -0.012 1.00 0.00 H new ATOM 0 HG SER A 72 24.109 -13.096 -0.276 1.00 0.00 H new ATOM 1105 N ASP A 73 18.744 -13.500 0.392 1.00 0.00 N ATOM 1106 CA ASP A 73 17.601 -14.405 0.406 1.00 0.00 C ATOM 1107 C ASP A 73 17.934 -15.712 -0.307 1.00 0.00 C ATOM 1108 O ASP A 73 17.683 -16.798 0.216 1.00 0.00 O ATOM 1109 CB ASP A 73 16.391 -13.743 -0.255 1.00 0.00 C ATOM 1110 CG ASP A 73 15.716 -12.734 0.653 1.00 0.00 C ATOM 1111 OD1 ASP A 73 16.302 -11.655 0.881 1.00 0.00 O ATOM 1112 OD2 ASP A 73 14.601 -13.023 1.134 1.00 0.00 O ATOM 0 H ASP A 73 18.560 -12.595 -0.041 1.00 0.00 H new ATOM 0 HA ASP A 73 17.360 -14.630 1.445 1.00 0.00 H new ATOM 0 HB2 ASP A 73 16.708 -13.247 -1.172 1.00 0.00 H new ATOM 0 HB3 ASP A 73 15.671 -14.510 -0.540 1.00 0.00 H new ATOM 1117 N SER A 74 18.499 -15.600 -1.505 1.00 0.00 N ATOM 1118 CA SER A 74 18.862 -16.772 -2.292 1.00 0.00 C ATOM 1119 C SER A 74 20.378 -16.895 -2.417 1.00 0.00 C ATOM 1120 O SER A 74 21.104 -15.910 -2.293 1.00 0.00 O ATOM 1121 CB SER A 74 18.229 -16.695 -3.683 1.00 0.00 C ATOM 1122 OG SER A 74 18.521 -17.856 -4.441 1.00 0.00 O ATOM 0 H SER A 74 18.715 -14.709 -1.952 1.00 0.00 H new ATOM 0 HA SER A 74 18.484 -17.655 -1.777 1.00 0.00 H new ATOM 0 HB2 SER A 74 17.149 -16.580 -3.589 1.00 0.00 H new ATOM 0 HB3 SER A 74 18.599 -15.813 -4.206 1.00 0.00 H new ATOM 0 HG SER A 74 18.104 -17.783 -5.325 1.00 0.00 H new ATOM 1128 N GLY A 75 20.848 -18.114 -2.663 1.00 0.00 N ATOM 1129 CA GLY A 75 22.274 -18.345 -2.801 1.00 0.00 C ATOM 1130 C GLY A 75 22.627 -19.035 -4.104 1.00 0.00 C ATOM 1131 O GLY A 75 21.855 -19.029 -5.063 1.00 0.00 O ATOM 0 H GLY A 75 20.267 -18.945 -2.769 1.00 0.00 H new ATOM 0 HA2 GLY A 75 22.800 -17.392 -2.744 1.00 0.00 H new ATOM 0 HA3 GLY A 75 22.623 -18.952 -1.966 1.00 0.00 H new ATOM 1135 N PRO A 76 23.820 -19.646 -4.150 1.00 0.00 N ATOM 1136 CA PRO A 76 24.301 -20.354 -5.340 1.00 0.00 C ATOM 1137 C PRO A 76 23.523 -21.638 -5.605 1.00 0.00 C ATOM 1138 O PRO A 76 23.381 -22.483 -4.720 1.00 0.00 O ATOM 1139 CB PRO A 76 25.758 -20.673 -4.999 1.00 0.00 C ATOM 1140 CG PRO A 76 25.800 -20.707 -3.510 1.00 0.00 C ATOM 1141 CD PRO A 76 24.791 -19.694 -3.044 1.00 0.00 C ATOM 0 HA PRO A 76 24.181 -19.758 -6.244 1.00 0.00 H new ATOM 0 HB2 PRO A 76 26.064 -21.628 -5.426 1.00 0.00 H new ATOM 0 HB3 PRO A 76 26.433 -19.915 -5.397 1.00 0.00 H new ATOM 0 HG2 PRO A 76 25.556 -21.701 -3.135 1.00 0.00 H new ATOM 0 HG3 PRO A 76 26.797 -20.463 -3.142 1.00 0.00 H new ATOM 0 HD2 PRO A 76 24.320 -19.997 -2.109 1.00 0.00 H new ATOM 0 HD3 PRO A 76 25.250 -18.721 -2.869 1.00 0.00 H new ATOM 1149 N SER A 77 23.021 -21.780 -6.828 1.00 0.00 N ATOM 1150 CA SER A 77 22.254 -22.961 -7.207 1.00 0.00 C ATOM 1151 C SER A 77 23.059 -23.851 -8.149 1.00 0.00 C ATOM 1152 O SER A 77 24.103 -23.448 -8.662 1.00 0.00 O ATOM 1153 CB SER A 77 20.941 -22.549 -7.875 1.00 0.00 C ATOM 1154 OG SER A 77 20.096 -23.669 -8.073 1.00 0.00 O ATOM 0 H SER A 77 23.132 -21.092 -7.573 1.00 0.00 H new ATOM 0 HA SER A 77 22.031 -23.526 -6.302 1.00 0.00 H new ATOM 0 HB2 SER A 77 20.431 -21.810 -7.257 1.00 0.00 H new ATOM 0 HB3 SER A 77 21.150 -22.074 -8.833 1.00 0.00 H new ATOM 0 HG SER A 77 19.263 -23.379 -8.500 1.00 0.00 H new ATOM 1160 N SER A 78 22.565 -25.065 -8.372 1.00 0.00 N ATOM 1161 CA SER A 78 23.239 -26.015 -9.249 1.00 0.00 C ATOM 1162 C SER A 78 23.470 -25.411 -10.631 1.00 0.00 C ATOM 1163 O SER A 78 24.532 -25.582 -11.226 1.00 0.00 O ATOM 1164 CB SER A 78 22.416 -27.299 -9.373 1.00 0.00 C ATOM 1165 OG SER A 78 21.146 -27.038 -9.943 1.00 0.00 O ATOM 0 H SER A 78 21.701 -25.414 -7.957 1.00 0.00 H new ATOM 0 HA SER A 78 24.208 -26.253 -8.809 1.00 0.00 H new ATOM 0 HB2 SER A 78 22.953 -28.021 -9.989 1.00 0.00 H new ATOM 0 HB3 SER A 78 22.290 -27.751 -8.389 1.00 0.00 H new ATOM 0 HG SER A 78 20.641 -27.875 -10.013 1.00 0.00 H new ATOM 1171 N GLY A 79 22.464 -24.701 -11.135 1.00 0.00 N ATOM 1172 CA GLY A 79 22.576 -24.081 -12.442 1.00 0.00 C ATOM 1173 C GLY A 79 21.425 -23.141 -12.739 1.00 0.00 C ATOM 1174 O GLY A 79 20.474 -23.049 -11.962 1.00 0.00 O ATOM 0 H GLY A 79 21.574 -24.545 -10.661 1.00 0.00 H new ATOM 0 HA2 GLY A 79 23.515 -23.530 -12.500 1.00 0.00 H new ATOM 0 HA3 GLY A 79 22.614 -24.857 -13.207 1.00 0.00 H new TER 1178 GLY A 79