USER MOD reduce.3.24.130724 H: found=0, std=0, add=746, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 744 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 1 GLY N :NH3+ 176:sc= 0.128 (180deg=0.103) 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 GLN : amide:sc= -0.0149 K(o=-0.015,f=-1.1) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 12 HIS : no HD1:sc= -1.33 K(o=-1.3,f=-0.78) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot -140:sc= -0.546 USER MOD Single : A 47 LYS NZ :NH3+ -166:sc= 0.457 (180deg=0.37) USER MOD Single : A 52 GLN : amide:sc= -0.95 K(o=-0.95,f=-2.1!) USER MOD Single : A 54 CYS SG : rot 95:sc= -0.407 USER MOD Single : A 65 HIS : no HD1:sc= -1.52 K(o=-1.5,f=-3.1!) USER MOD Single : A 67 ASN : amide:sc= -0.984 X(o=-0.98,f=-0.6) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 71 THR OG1 : rot -52:sc= 0.824 USER MOD Single : A 72 GLN : amide:sc= -0.114 K(o=-0.11,f=-1.8!) USER MOD Single : A 75 THR OG1 : rot 180:sc= 0.0142 USER MOD Single : A 76 HIS : no HD1:sc=-0.00647 X(o=-0.0065,f=-0.0089) USER MOD Single : A 78 GLN : amide:sc= -0.347 K(o=-0.35,f=-0.88) USER MOD Single : A 89 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 91 HIS : no HD1:sc= -1.64 K(o=-1.6,f=-2.9!) USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -12.208 8.786 0.905 1.00 0.00 N ATOM 2 CA GLY A 1 -12.932 8.072 -0.131 1.00 0.00 C ATOM 3 C GLY A 1 -13.731 6.907 0.419 1.00 0.00 C ATOM 4 O GLY A 1 -13.724 6.654 1.624 1.00 0.00 O ATOM 0 H1 GLY A 1 -11.625 9.530 0.471 1.00 0.00 H new ATOM 0 H2 GLY A 1 -12.884 9.218 1.567 1.00 0.00 H new ATOM 0 H3 GLY A 1 -11.595 8.122 1.421 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -13.605 8.762 -0.641 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -12.226 7.705 -0.876 1.00 0.00 H new ATOM 8 N SER A 2 -14.423 6.197 -0.466 1.00 0.00 N ATOM 9 CA SER A 2 -15.236 5.055 -0.062 1.00 0.00 C ATOM 10 C SER A 2 -14.535 3.743 -0.398 1.00 0.00 C ATOM 11 O SER A 2 -13.753 3.669 -1.346 1.00 0.00 O ATOM 12 CB SER A 2 -16.603 5.107 -0.748 1.00 0.00 C ATOM 13 OG SER A 2 -17.579 4.411 0.007 1.00 0.00 O ATOM 0 H SER A 2 -14.437 6.392 -1.467 1.00 0.00 H new ATOM 0 HA SER A 2 -15.377 5.105 1.018 1.00 0.00 H new ATOM 0 HB2 SER A 2 -16.910 6.145 -0.876 1.00 0.00 H new ATOM 0 HB3 SER A 2 -16.530 4.671 -1.744 1.00 0.00 H new ATOM 0 HG SER A 2 -18.444 4.460 -0.451 1.00 0.00 H new ATOM 19 N SER A 3 -14.821 2.708 0.386 1.00 0.00 N ATOM 20 CA SER A 3 -14.216 1.399 0.175 1.00 0.00 C ATOM 21 C SER A 3 -15.062 0.556 -0.774 1.00 0.00 C ATOM 22 O SER A 3 -16.135 0.077 -0.408 1.00 0.00 O ATOM 23 CB SER A 3 -14.047 0.670 1.509 1.00 0.00 C ATOM 24 OG SER A 3 -13.292 -0.518 1.350 1.00 0.00 O ATOM 0 H SER A 3 -15.468 2.751 1.173 1.00 0.00 H new ATOM 0 HA SER A 3 -13.235 1.549 -0.276 1.00 0.00 H new ATOM 0 HB2 SER A 3 -13.552 1.326 2.225 1.00 0.00 H new ATOM 0 HB3 SER A 3 -15.027 0.429 1.922 1.00 0.00 H new ATOM 0 HG SER A 3 -13.197 -0.964 2.217 1.00 0.00 H new ATOM 30 N GLY A 4 -14.571 0.379 -1.997 1.00 0.00 N ATOM 31 CA GLY A 4 -15.294 -0.406 -2.981 1.00 0.00 C ATOM 32 C GLY A 4 -15.351 -1.877 -2.620 1.00 0.00 C ATOM 33 O GLY A 4 -14.380 -2.609 -2.814 1.00 0.00 O ATOM 0 H GLY A 4 -13.685 0.765 -2.324 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -16.308 -0.019 -3.076 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -14.817 -0.292 -3.954 1.00 0.00 H new ATOM 37 N SER A 5 -16.491 -2.312 -2.093 1.00 0.00 N ATOM 38 CA SER A 5 -16.669 -3.705 -1.699 1.00 0.00 C ATOM 39 C SER A 5 -16.746 -4.610 -2.925 1.00 0.00 C ATOM 40 O SER A 5 -17.771 -4.669 -3.604 1.00 0.00 O ATOM 41 CB SER A 5 -17.936 -3.860 -0.856 1.00 0.00 C ATOM 42 OG SER A 5 -17.946 -5.104 -0.176 1.00 0.00 O ATOM 0 H SER A 5 -17.305 -1.720 -1.929 1.00 0.00 H new ATOM 0 HA SER A 5 -15.806 -4.002 -1.103 1.00 0.00 H new ATOM 0 HB2 SER A 5 -17.998 -3.046 -0.133 1.00 0.00 H new ATOM 0 HB3 SER A 5 -18.815 -3.785 -1.497 1.00 0.00 H new ATOM 0 HG SER A 5 -18.765 -5.179 0.357 1.00 0.00 H new ATOM 48 N SER A 6 -15.654 -5.315 -3.202 1.00 0.00 N ATOM 49 CA SER A 6 -15.595 -6.215 -4.348 1.00 0.00 C ATOM 50 C SER A 6 -14.510 -7.271 -4.154 1.00 0.00 C ATOM 51 O SER A 6 -13.364 -6.950 -3.843 1.00 0.00 O ATOM 52 CB SER A 6 -15.330 -5.425 -5.631 1.00 0.00 C ATOM 53 OG SER A 6 -14.981 -6.289 -6.699 1.00 0.00 O ATOM 0 H SER A 6 -14.798 -5.280 -2.649 1.00 0.00 H new ATOM 0 HA SER A 6 -16.558 -6.719 -4.433 1.00 0.00 H new ATOM 0 HB2 SER A 6 -16.217 -4.851 -5.898 1.00 0.00 H new ATOM 0 HB3 SER A 6 -14.526 -4.708 -5.461 1.00 0.00 H new ATOM 0 HG SER A 6 -14.818 -5.760 -7.508 1.00 0.00 H new ATOM 59 N GLY A 7 -14.883 -8.534 -4.340 1.00 0.00 N ATOM 60 CA GLY A 7 -13.932 -9.618 -4.181 1.00 0.00 C ATOM 61 C GLY A 7 -12.798 -9.547 -5.185 1.00 0.00 C ATOM 62 O GLY A 7 -12.208 -8.486 -5.390 1.00 0.00 O ATOM 0 H GLY A 7 -15.826 -8.825 -4.598 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -13.522 -9.592 -3.172 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -14.450 -10.571 -4.290 1.00 0.00 H new ATOM 66 N GLN A 8 -12.492 -10.679 -5.811 1.00 0.00 N ATOM 67 CA GLN A 8 -11.420 -10.740 -6.797 1.00 0.00 C ATOM 68 C GLN A 8 -10.082 -10.359 -6.171 1.00 0.00 C ATOM 69 O GLN A 8 -9.278 -9.655 -6.782 1.00 0.00 O ATOM 70 CB GLN A 8 -11.728 -9.813 -7.975 1.00 0.00 C ATOM 71 CG GLN A 8 -12.852 -10.315 -8.866 1.00 0.00 C ATOM 72 CD GLN A 8 -12.378 -11.327 -9.890 1.00 0.00 C ATOM 73 OE1 GLN A 8 -11.249 -11.814 -9.821 1.00 0.00 O ATOM 74 NE2 GLN A 8 -13.240 -11.650 -10.847 1.00 0.00 N ATOM 0 H GLN A 8 -12.971 -11.566 -5.653 1.00 0.00 H new ATOM 0 HA GLN A 8 -11.352 -11.766 -7.159 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -11.992 -8.827 -7.592 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -10.827 -9.690 -8.576 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -13.627 -10.766 -8.247 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -13.308 -9.469 -9.381 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -14.166 -11.222 -10.866 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -12.977 -12.327 -11.564 1.00 0.00 H new ATOM 83 N ALA A 9 -9.851 -10.828 -4.949 1.00 0.00 N ATOM 84 CA ALA A 9 -8.611 -10.538 -4.242 1.00 0.00 C ATOM 85 C ALA A 9 -7.675 -11.742 -4.258 1.00 0.00 C ATOM 86 O ALA A 9 -7.035 -12.057 -3.254 1.00 0.00 O ATOM 87 CB ALA A 9 -8.906 -10.116 -2.810 1.00 0.00 C ATOM 0 H ALA A 9 -10.507 -11.410 -4.429 1.00 0.00 H new ATOM 0 HA ALA A 9 -8.113 -9.716 -4.756 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -7.970 -9.902 -2.294 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -9.530 -9.222 -2.815 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -9.430 -10.921 -2.294 1.00 0.00 H new ATOM 93 N SER A 10 -7.601 -12.413 -5.403 1.00 0.00 N ATOM 94 CA SER A 10 -6.746 -13.586 -5.548 1.00 0.00 C ATOM 95 C SER A 10 -5.275 -13.205 -5.419 1.00 0.00 C ATOM 96 O SER A 10 -4.705 -12.574 -6.308 1.00 0.00 O ATOM 97 CB SER A 10 -6.994 -14.260 -6.899 1.00 0.00 C ATOM 98 OG SER A 10 -8.179 -15.036 -6.872 1.00 0.00 O ATOM 0 H SER A 10 -8.123 -12.165 -6.244 1.00 0.00 H new ATOM 0 HA SER A 10 -6.993 -14.286 -4.750 1.00 0.00 H new ATOM 0 HB2 SER A 10 -7.070 -13.502 -7.679 1.00 0.00 H new ATOM 0 HB3 SER A 10 -6.145 -14.895 -7.153 1.00 0.00 H new ATOM 0 HG SER A 10 -8.316 -15.455 -7.747 1.00 0.00 H new ATOM 104 N GLY A 11 -4.664 -13.594 -4.304 1.00 0.00 N ATOM 105 CA GLY A 11 -3.264 -13.285 -4.077 1.00 0.00 C ATOM 106 C GLY A 11 -3.070 -11.955 -3.377 1.00 0.00 C ATOM 107 O GLY A 11 -2.309 -11.857 -2.414 1.00 0.00 O ATOM 0 H GLY A 11 -5.114 -14.118 -3.553 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -2.813 -14.076 -3.478 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -2.739 -13.269 -5.032 1.00 0.00 H new ATOM 111 N HIS A 12 -3.759 -10.927 -3.863 1.00 0.00 N ATOM 112 CA HIS A 12 -3.657 -9.594 -3.278 1.00 0.00 C ATOM 113 C HIS A 12 -4.738 -9.381 -2.222 1.00 0.00 C ATOM 114 O HIS A 12 -5.915 -9.651 -2.461 1.00 0.00 O ATOM 115 CB HIS A 12 -3.773 -8.526 -4.366 1.00 0.00 C ATOM 116 CG HIS A 12 -3.022 -8.863 -5.617 1.00 0.00 C ATOM 117 ND1 HIS A 12 -3.423 -8.448 -6.870 1.00 0.00 N ATOM 118 CD2 HIS A 12 -1.887 -9.577 -5.804 1.00 0.00 C ATOM 119 CE1 HIS A 12 -2.568 -8.895 -7.773 1.00 0.00 C ATOM 120 NE2 HIS A 12 -1.627 -9.582 -7.152 1.00 0.00 N ATOM 0 H HIS A 12 -4.393 -10.991 -4.659 1.00 0.00 H new ATOM 0 HA HIS A 12 -2.682 -9.508 -2.798 1.00 0.00 H new ATOM 0 HB2 HIS A 12 -4.825 -8.381 -4.611 1.00 0.00 H new ATOM 0 HB3 HIS A 12 -3.404 -7.578 -3.974 1.00 0.00 H new ATOM 0 HD2 HIS A 12 -1.296 -10.054 -5.036 1.00 0.00 H new ATOM 0 HE1 HIS A 12 -2.629 -8.727 -8.838 1.00 0.00 H new ATOM 0 HE2 HIS A 12 -0.835 -10.042 -7.601 1.00 0.00 H new ATOM 129 N PHE A 13 -4.330 -8.895 -1.054 1.00 0.00 N ATOM 130 CA PHE A 13 -5.263 -8.647 0.039 1.00 0.00 C ATOM 131 C PHE A 13 -5.254 -7.174 0.438 1.00 0.00 C ATOM 132 O PHE A 13 -4.343 -6.428 0.079 1.00 0.00 O ATOM 133 CB PHE A 13 -4.909 -9.517 1.247 1.00 0.00 C ATOM 134 CG PHE A 13 -3.525 -9.272 1.777 1.00 0.00 C ATOM 135 CD1 PHE A 13 -3.296 -8.285 2.722 1.00 0.00 C ATOM 136 CD2 PHE A 13 -2.455 -10.030 1.331 1.00 0.00 C ATOM 137 CE1 PHE A 13 -2.023 -8.057 3.210 1.00 0.00 C ATOM 138 CE2 PHE A 13 -1.180 -9.807 1.816 1.00 0.00 C ATOM 139 CZ PHE A 13 -0.964 -8.820 2.758 1.00 0.00 C ATOM 0 H PHE A 13 -3.359 -8.665 -0.840 1.00 0.00 H new ATOM 0 HA PHE A 13 -6.264 -8.906 -0.305 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -5.632 -9.333 2.042 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -5.002 -10.567 0.969 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -4.121 -7.687 3.081 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -2.619 -10.804 0.596 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -1.856 -7.283 3.944 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -0.354 -10.404 1.459 1.00 0.00 H new ATOM 0 HZ PHE A 13 0.031 -8.645 3.140 1.00 0.00 H new ATOM 149 N SER A 14 -6.276 -6.763 1.182 1.00 0.00 N ATOM 150 CA SER A 14 -6.389 -5.379 1.627 1.00 0.00 C ATOM 151 C SER A 14 -6.017 -5.250 3.101 1.00 0.00 C ATOM 152 O SER A 14 -6.020 -6.233 3.842 1.00 0.00 O ATOM 153 CB SER A 14 -7.811 -4.863 1.400 1.00 0.00 C ATOM 154 OG SER A 14 -8.720 -5.454 2.313 1.00 0.00 O ATOM 0 H SER A 14 -7.037 -7.368 1.489 1.00 0.00 H new ATOM 0 HA SER A 14 -5.694 -4.777 1.042 1.00 0.00 H new ATOM 0 HB2 SER A 14 -7.830 -3.779 1.513 1.00 0.00 H new ATOM 0 HB3 SER A 14 -8.122 -5.083 0.379 1.00 0.00 H new ATOM 0 HG SER A 14 -9.621 -5.106 2.148 1.00 0.00 H new ATOM 160 N VAL A 15 -5.698 -4.029 3.520 1.00 0.00 N ATOM 161 CA VAL A 15 -5.325 -3.770 4.905 1.00 0.00 C ATOM 162 C VAL A 15 -6.223 -2.706 5.526 1.00 0.00 C ATOM 163 O VAL A 15 -6.387 -1.619 4.973 1.00 0.00 O ATOM 164 CB VAL A 15 -3.857 -3.315 5.015 1.00 0.00 C ATOM 165 CG1 VAL A 15 -3.460 -3.141 6.473 1.00 0.00 C ATOM 166 CG2 VAL A 15 -2.938 -4.306 4.318 1.00 0.00 C ATOM 0 H VAL A 15 -5.691 -3.204 2.920 1.00 0.00 H new ATOM 0 HA VAL A 15 -5.449 -4.708 5.447 1.00 0.00 H new ATOM 0 HB VAL A 15 -3.756 -2.350 4.518 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -2.420 -2.819 6.531 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -4.099 -2.389 6.937 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -3.576 -4.089 6.997 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -1.905 -3.968 4.406 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -3.040 -5.286 4.783 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -3.209 -4.375 3.264 1.00 0.00 H new ATOM 176 N GLU A 16 -6.803 -3.028 6.678 1.00 0.00 N ATOM 177 CA GLU A 16 -7.685 -2.099 7.374 1.00 0.00 C ATOM 178 C GLU A 16 -7.088 -1.682 8.715 1.00 0.00 C ATOM 179 O GLU A 16 -6.876 -2.513 9.599 1.00 0.00 O ATOM 180 CB GLU A 16 -9.061 -2.733 7.591 1.00 0.00 C ATOM 181 CG GLU A 16 -9.693 -3.267 6.317 1.00 0.00 C ATOM 182 CD GLU A 16 -11.209 -3.247 6.365 1.00 0.00 C ATOM 183 OE1 GLU A 16 -11.773 -3.542 7.439 1.00 0.00 O ATOM 184 OE2 GLU A 16 -11.831 -2.936 5.327 1.00 0.00 O ATOM 0 H GLU A 16 -6.678 -3.924 7.148 1.00 0.00 H new ATOM 0 HA GLU A 16 -7.796 -1.210 6.753 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -8.967 -3.548 8.309 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -9.727 -1.993 8.034 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -9.352 -2.672 5.470 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -9.352 -4.288 6.147 1.00 0.00 H new ATOM 191 N LEU A 17 -6.818 -0.389 8.859 1.00 0.00 N ATOM 192 CA LEU A 17 -6.245 0.140 10.091 1.00 0.00 C ATOM 193 C LEU A 17 -6.980 1.400 10.538 1.00 0.00 C ATOM 194 O LEU A 17 -7.419 2.201 9.712 1.00 0.00 O ATOM 195 CB LEU A 17 -4.759 0.446 9.896 1.00 0.00 C ATOM 196 CG LEU A 17 -3.874 -0.741 9.512 1.00 0.00 C ATOM 197 CD1 LEU A 17 -2.448 -0.281 9.253 1.00 0.00 C ATOM 198 CD2 LEU A 17 -3.905 -1.803 10.602 1.00 0.00 C ATOM 0 H LEU A 17 -6.987 0.312 8.138 1.00 0.00 H new ATOM 0 HA LEU A 17 -6.355 -0.617 10.867 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -4.664 1.209 9.124 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -4.373 0.877 10.820 1.00 0.00 H new ATOM 0 HG LEU A 17 -4.264 -1.180 8.594 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -1.833 -1.139 8.981 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -2.442 0.443 8.438 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -2.046 0.183 10.154 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -3.270 -2.640 10.312 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -3.539 -1.376 11.536 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -4.928 -2.154 10.739 1.00 0.00 H new ATOM 210 N VAL A 18 -7.110 1.570 11.849 1.00 0.00 N ATOM 211 CA VAL A 18 -7.789 2.734 12.406 1.00 0.00 C ATOM 212 C VAL A 18 -6.788 3.754 12.934 1.00 0.00 C ATOM 213 O VAL A 18 -6.037 3.476 13.870 1.00 0.00 O ATOM 214 CB VAL A 18 -8.747 2.334 13.544 1.00 0.00 C ATOM 215 CG1 VAL A 18 -9.365 3.569 14.181 1.00 0.00 C ATOM 216 CG2 VAL A 18 -9.826 1.394 13.027 1.00 0.00 C ATOM 0 H VAL A 18 -6.754 0.916 12.546 1.00 0.00 H new ATOM 0 HA VAL A 18 -8.366 3.181 11.596 1.00 0.00 H new ATOM 0 HB VAL A 18 -8.175 1.808 14.308 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -10.039 3.266 14.983 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -8.576 4.201 14.589 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -9.923 4.126 13.428 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -10.494 1.122 13.844 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -10.397 1.891 12.243 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -9.362 0.494 12.623 1.00 0.00 H new ATOM 226 N ARG A 19 -6.781 4.937 12.329 1.00 0.00 N ATOM 227 CA ARG A 19 -5.871 6.000 12.738 1.00 0.00 C ATOM 228 C ARG A 19 -5.717 6.030 14.256 1.00 0.00 C ATOM 229 O ARG A 19 -6.621 6.454 14.974 1.00 0.00 O ATOM 230 CB ARG A 19 -6.378 7.355 12.240 1.00 0.00 C ATOM 231 CG ARG A 19 -5.393 8.492 12.459 1.00 0.00 C ATOM 232 CD ARG A 19 -5.679 9.663 11.532 1.00 0.00 C ATOM 233 NE ARG A 19 -5.254 10.935 12.110 1.00 0.00 N ATOM 234 CZ ARG A 19 -5.805 11.471 13.193 1.00 0.00 C ATOM 235 NH1 ARG A 19 -6.799 10.848 13.812 1.00 0.00 N ATOM 236 NH2 ARG A 19 -5.363 12.632 13.659 1.00 0.00 N ATOM 0 H ARG A 19 -7.396 5.184 11.553 1.00 0.00 H new ATOM 0 HA ARG A 19 -4.896 5.799 12.294 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -6.603 7.280 11.176 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -7.313 7.593 12.748 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -5.445 8.826 13.495 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -4.378 8.133 12.291 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -5.167 9.507 10.583 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -6.747 9.702 11.316 1.00 0.00 H new ATOM 0 HE ARG A 19 -4.492 11.440 11.657 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -7.142 9.955 13.456 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -7.221 11.261 14.644 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -4.599 13.114 13.185 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -5.787 13.042 14.491 1.00 0.00 H new ATOM 250 N GLY A 20 -4.564 5.575 14.737 1.00 0.00 N ATOM 251 CA GLY A 20 -4.312 5.557 16.166 1.00 0.00 C ATOM 252 C GLY A 20 -3.525 6.767 16.632 1.00 0.00 C ATOM 253 O GLY A 20 -3.687 7.864 16.097 1.00 0.00 O ATOM 0 H GLY A 20 -3.800 5.219 14.163 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -5.262 5.518 16.699 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -3.765 4.650 16.424 1.00 0.00 H new ATOM 257 N TYR A 21 -2.673 6.567 17.630 1.00 0.00 N ATOM 258 CA TYR A 21 -1.861 7.651 18.171 1.00 0.00 C ATOM 259 C TYR A 21 -0.778 8.066 17.179 1.00 0.00 C ATOM 260 O TYR A 21 -0.115 7.222 16.577 1.00 0.00 O ATOM 261 CB TYR A 21 -1.221 7.227 19.494 1.00 0.00 C ATOM 262 CG TYR A 21 0.064 7.960 19.808 1.00 0.00 C ATOM 263 CD1 TYR A 21 0.058 9.319 20.094 1.00 0.00 C ATOM 264 CD2 TYR A 21 1.283 7.293 19.817 1.00 0.00 C ATOM 265 CE1 TYR A 21 1.230 9.993 20.381 1.00 0.00 C ATOM 266 CE2 TYR A 21 2.458 7.959 20.104 1.00 0.00 C ATOM 267 CZ TYR A 21 2.427 9.309 20.385 1.00 0.00 C ATOM 268 OH TYR A 21 3.597 9.975 20.670 1.00 0.00 O ATOM 0 H TYR A 21 -2.526 5.664 18.081 1.00 0.00 H new ATOM 0 HA TYR A 21 -2.513 8.506 18.349 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -1.932 7.396 20.302 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -1.020 6.156 19.464 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -0.878 9.858 20.092 1.00 0.00 H new ATOM 0 HD2 TYR A 21 1.312 6.236 19.596 1.00 0.00 H new ATOM 0 HE1 TYR A 21 1.208 11.050 20.601 1.00 0.00 H new ATOM 0 HE2 TYR A 21 3.397 7.425 20.108 1.00 0.00 H new ATOM 0 HH TYR A 21 4.348 9.347 20.632 1.00 0.00 H new ATOM 278 N ALA A 22 -0.604 9.374 17.017 1.00 0.00 N ATOM 279 CA ALA A 22 0.400 9.903 16.102 1.00 0.00 C ATOM 280 C ALA A 22 0.228 9.322 14.703 1.00 0.00 C ATOM 281 O ALA A 22 1.205 8.984 14.036 1.00 0.00 O ATOM 282 CB ALA A 22 1.798 9.613 16.627 1.00 0.00 C ATOM 0 H ALA A 22 -1.145 10.086 17.507 1.00 0.00 H new ATOM 0 HA ALA A 22 0.264 10.983 16.038 1.00 0.00 H new ATOM 0 HB1 ALA A 22 2.537 10.014 15.934 1.00 0.00 H new ATOM 0 HB2 ALA A 22 1.925 10.081 17.603 1.00 0.00 H new ATOM 0 HB3 ALA A 22 1.935 8.536 16.721 1.00 0.00 H new ATOM 288 N GLY A 23 -1.022 9.208 14.264 1.00 0.00 N ATOM 289 CA GLY A 23 -1.299 8.666 12.946 1.00 0.00 C ATOM 290 C GLY A 23 -1.299 7.150 12.931 1.00 0.00 C ATOM 291 O GLY A 23 -1.625 6.512 13.932 1.00 0.00 O ATOM 0 H GLY A 23 -1.848 9.481 14.797 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -2.268 9.030 12.603 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -0.553 9.033 12.241 1.00 0.00 H new ATOM 295 N PHE A 24 -0.934 6.572 11.791 1.00 0.00 N ATOM 296 CA PHE A 24 -0.896 5.121 11.648 1.00 0.00 C ATOM 297 C PHE A 24 0.465 4.570 12.062 1.00 0.00 C ATOM 298 O PHE A 24 0.575 3.428 12.508 1.00 0.00 O ATOM 299 CB PHE A 24 -1.203 4.721 10.204 1.00 0.00 C ATOM 300 CG PHE A 24 -2.633 4.957 9.807 1.00 0.00 C ATOM 301 CD1 PHE A 24 -3.618 4.041 10.141 1.00 0.00 C ATOM 302 CD2 PHE A 24 -2.991 6.093 9.100 1.00 0.00 C ATOM 303 CE1 PHE A 24 -4.934 4.254 9.778 1.00 0.00 C ATOM 304 CE2 PHE A 24 -4.306 6.312 8.735 1.00 0.00 C ATOM 305 CZ PHE A 24 -5.279 5.391 9.074 1.00 0.00 C ATOM 0 H PHE A 24 -0.661 7.086 10.953 1.00 0.00 H new ATOM 0 HA PHE A 24 -1.656 4.696 12.304 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -0.551 5.281 9.534 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -0.967 3.665 10.070 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -3.354 3.150 10.692 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -2.235 6.815 8.831 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -5.692 3.532 10.044 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -4.573 7.202 8.185 1.00 0.00 H new ATOM 0 HZ PHE A 24 -6.307 5.560 8.789 1.00 0.00 H new ATOM 315 N GLY A 25 1.500 5.390 11.911 1.00 0.00 N ATOM 316 CA GLY A 25 2.841 4.967 12.273 1.00 0.00 C ATOM 317 C GLY A 25 3.448 4.028 11.250 1.00 0.00 C ATOM 318 O GLY A 25 4.278 3.183 11.588 1.00 0.00 O ATOM 0 H GLY A 25 1.434 6.340 11.545 1.00 0.00 H new ATOM 0 HA2 GLY A 25 3.479 5.844 12.380 1.00 0.00 H new ATOM 0 HA3 GLY A 25 2.813 4.473 13.244 1.00 0.00 H new ATOM 322 N LEU A 26 3.034 4.173 9.996 1.00 0.00 N ATOM 323 CA LEU A 26 3.542 3.330 8.920 1.00 0.00 C ATOM 324 C LEU A 26 4.477 4.116 8.007 1.00 0.00 C ATOM 325 O LEU A 26 4.160 5.227 7.583 1.00 0.00 O ATOM 326 CB LEU A 26 2.381 2.754 8.106 1.00 0.00 C ATOM 327 CG LEU A 26 2.739 1.639 7.123 1.00 0.00 C ATOM 328 CD1 LEU A 26 3.233 0.408 7.869 1.00 0.00 C ATOM 329 CD2 LEU A 26 1.541 1.291 6.252 1.00 0.00 C ATOM 0 H LEU A 26 2.348 4.867 9.699 1.00 0.00 H new ATOM 0 HA LEU A 26 4.106 2.512 9.368 1.00 0.00 H new ATOM 0 HB2 LEU A 26 1.631 2.373 8.799 1.00 0.00 H new ATOM 0 HB3 LEU A 26 1.916 3.567 7.549 1.00 0.00 H new ATOM 0 HG LEU A 26 3.542 1.994 6.477 1.00 0.00 H new ATOM 0 HD11 LEU A 26 3.483 -0.375 7.153 1.00 0.00 H new ATOM 0 HD12 LEU A 26 4.119 0.665 8.449 1.00 0.00 H new ATOM 0 HD13 LEU A 26 2.451 0.051 8.539 1.00 0.00 H new ATOM 0 HD21 LEU A 26 1.814 0.496 5.558 1.00 0.00 H new ATOM 0 HD22 LEU A 26 0.718 0.956 6.883 1.00 0.00 H new ATOM 0 HD23 LEU A 26 1.232 2.172 5.690 1.00 0.00 H new ATOM 341 N THR A 27 5.632 3.530 7.706 1.00 0.00 N ATOM 342 CA THR A 27 6.614 4.174 6.843 1.00 0.00 C ATOM 343 C THR A 27 6.960 3.291 5.649 1.00 0.00 C ATOM 344 O THR A 27 7.097 2.074 5.783 1.00 0.00 O ATOM 345 CB THR A 27 7.906 4.507 7.612 1.00 0.00 C ATOM 346 OG1 THR A 27 7.586 5.110 8.870 1.00 0.00 O ATOM 347 CG2 THR A 27 8.791 5.444 6.804 1.00 0.00 C ATOM 0 H THR A 27 5.910 2.610 8.048 1.00 0.00 H new ATOM 0 HA THR A 27 6.163 5.100 6.488 1.00 0.00 H new ATOM 0 HB THR A 27 8.450 3.578 7.784 1.00 0.00 H new ATOM 0 HG1 THR A 27 8.413 5.317 9.353 1.00 0.00 H new ATOM 0 HG21 THR A 27 9.697 5.665 7.368 1.00 0.00 H new ATOM 0 HG22 THR A 27 9.058 4.969 5.860 1.00 0.00 H new ATOM 0 HG23 THR A 27 8.253 6.371 6.605 1.00 0.00 H new ATOM 355 N LEU A 28 7.100 3.911 4.482 1.00 0.00 N ATOM 356 CA LEU A 28 7.431 3.180 3.263 1.00 0.00 C ATOM 357 C LEU A 28 8.839 3.523 2.789 1.00 0.00 C ATOM 358 O LEU A 28 9.196 4.694 2.665 1.00 0.00 O ATOM 359 CB LEU A 28 6.417 3.500 2.163 1.00 0.00 C ATOM 360 CG LEU A 28 5.148 2.648 2.151 1.00 0.00 C ATOM 361 CD1 LEU A 28 4.092 3.275 1.254 1.00 0.00 C ATOM 362 CD2 LEU A 28 5.462 1.230 1.697 1.00 0.00 C ATOM 0 H LEU A 28 6.990 4.917 4.354 1.00 0.00 H new ATOM 0 HA LEU A 28 7.392 2.114 3.485 1.00 0.00 H new ATOM 0 HB2 LEU A 28 6.127 4.546 2.257 1.00 0.00 H new ATOM 0 HB3 LEU A 28 6.912 3.392 1.198 1.00 0.00 H new ATOM 0 HG LEU A 28 4.753 2.604 3.166 1.00 0.00 H new ATOM 0 HD11 LEU A 28 3.196 2.654 1.258 1.00 0.00 H new ATOM 0 HD12 LEU A 28 3.846 4.271 1.623 1.00 0.00 H new ATOM 0 HD13 LEU A 28 4.477 3.350 0.237 1.00 0.00 H new ATOM 0 HD21 LEU A 28 4.547 0.638 1.695 1.00 0.00 H new ATOM 0 HD22 LEU A 28 5.881 1.254 0.691 1.00 0.00 H new ATOM 0 HD23 LEU A 28 6.183 0.781 2.380 1.00 0.00 H new ATOM 374 N GLY A 29 9.636 2.493 2.522 1.00 0.00 N ATOM 375 CA GLY A 29 10.995 2.706 2.062 1.00 0.00 C ATOM 376 C GLY A 29 11.191 2.289 0.618 1.00 0.00 C ATOM 377 O GLY A 29 11.065 1.112 0.281 1.00 0.00 O ATOM 0 H GLY A 29 9.364 1.514 2.616 1.00 0.00 H new ATOM 0 HA2 GLY A 29 11.251 3.760 2.170 1.00 0.00 H new ATOM 0 HA3 GLY A 29 11.682 2.145 2.695 1.00 0.00 H new ATOM 381 N GLY A 30 11.498 3.258 -0.240 1.00 0.00 N ATOM 382 CA GLY A 30 11.704 2.965 -1.647 1.00 0.00 C ATOM 383 C GLY A 30 10.756 3.736 -2.544 1.00 0.00 C ATOM 384 O GLY A 30 10.447 4.897 -2.281 1.00 0.00 O ATOM 0 H GLY A 30 11.608 4.240 0.014 1.00 0.00 H new ATOM 0 HA2 GLY A 30 12.732 3.205 -1.918 1.00 0.00 H new ATOM 0 HA3 GLY A 30 11.571 1.896 -1.816 1.00 0.00 H new ATOM 388 N GLY A 31 10.293 3.088 -3.609 1.00 0.00 N ATOM 389 CA GLY A 31 9.381 3.736 -4.533 1.00 0.00 C ATOM 390 C GLY A 31 10.105 4.494 -5.627 1.00 0.00 C ATOM 391 O GLY A 31 11.333 4.580 -5.624 1.00 0.00 O ATOM 0 H GLY A 31 10.533 2.126 -3.848 1.00 0.00 H new ATOM 0 HA2 GLY A 31 8.732 2.986 -4.984 1.00 0.00 H new ATOM 0 HA3 GLY A 31 8.739 4.424 -3.983 1.00 0.00 H new ATOM 395 N ARG A 32 9.344 5.044 -6.568 1.00 0.00 N ATOM 396 CA ARG A 32 9.922 5.796 -7.675 1.00 0.00 C ATOM 397 C ARG A 32 10.588 7.074 -7.175 1.00 0.00 C ATOM 398 O ARG A 32 9.924 7.968 -6.651 1.00 0.00 O ATOM 399 CB ARG A 32 8.843 6.139 -8.704 1.00 0.00 C ATOM 400 CG ARG A 32 9.400 6.584 -10.046 1.00 0.00 C ATOM 401 CD ARG A 32 9.877 8.028 -10.000 1.00 0.00 C ATOM 402 NE ARG A 32 9.989 8.609 -11.335 1.00 0.00 N ATOM 403 CZ ARG A 32 10.351 9.867 -11.560 1.00 0.00 C ATOM 404 NH1 ARG A 32 10.634 10.671 -10.545 1.00 0.00 N ATOM 405 NH2 ARG A 32 10.430 10.324 -12.804 1.00 0.00 N ATOM 0 H ARG A 32 8.326 4.983 -6.586 1.00 0.00 H new ATOM 0 HA ARG A 32 10.681 5.173 -8.148 1.00 0.00 H new ATOM 0 HB2 ARG A 32 8.207 5.267 -8.855 1.00 0.00 H new ATOM 0 HB3 ARG A 32 8.209 6.930 -8.303 1.00 0.00 H new ATOM 0 HG2 ARG A 32 10.228 5.935 -10.331 1.00 0.00 H new ATOM 0 HG3 ARG A 32 8.633 6.477 -10.813 1.00 0.00 H new ATOM 0 HD2 ARG A 32 9.183 8.620 -9.404 1.00 0.00 H new ATOM 0 HD3 ARG A 32 10.845 8.074 -9.502 1.00 0.00 H new ATOM 0 HE ARG A 32 9.778 8.017 -12.138 1.00 0.00 H new ATOM 0 HH11 ARG A 32 10.574 10.324 -9.588 1.00 0.00 H new ATOM 0 HH12 ARG A 32 10.912 11.637 -10.721 1.00 0.00 H new ATOM 0 HH21 ARG A 32 10.213 9.709 -13.588 1.00 0.00 H new ATOM 0 HH22 ARG A 32 10.708 11.290 -12.976 1.00 0.00 H new ATOM 419 N ASP A 33 11.904 7.152 -7.340 1.00 0.00 N ATOM 420 CA ASP A 33 12.661 8.321 -6.906 1.00 0.00 C ATOM 421 C ASP A 33 13.383 8.968 -8.084 1.00 0.00 C ATOM 422 O ASP A 33 13.588 8.339 -9.122 1.00 0.00 O ATOM 423 CB ASP A 33 13.671 7.928 -5.826 1.00 0.00 C ATOM 424 CG ASP A 33 13.956 9.062 -4.861 1.00 0.00 C ATOM 425 OD1 ASP A 33 13.152 9.262 -3.926 1.00 0.00 O ATOM 426 OD2 ASP A 33 14.983 9.749 -5.040 1.00 0.00 O ATOM 0 H ASP A 33 12.469 6.420 -7.771 1.00 0.00 H new ATOM 0 HA ASP A 33 11.960 9.045 -6.491 1.00 0.00 H new ATOM 0 HB2 ASP A 33 13.291 7.070 -5.272 1.00 0.00 H new ATOM 0 HB3 ASP A 33 14.602 7.615 -6.299 1.00 0.00 H new ATOM 431 N VAL A 34 13.765 10.231 -7.915 1.00 0.00 N ATOM 432 CA VAL A 34 14.463 10.964 -8.964 1.00 0.00 C ATOM 433 C VAL A 34 15.803 10.313 -9.291 1.00 0.00 C ATOM 434 O VAL A 34 16.142 10.120 -10.458 1.00 0.00 O ATOM 435 CB VAL A 34 14.703 12.431 -8.558 1.00 0.00 C ATOM 436 CG1 VAL A 34 15.475 13.166 -9.644 1.00 0.00 C ATOM 437 CG2 VAL A 34 13.381 13.126 -8.269 1.00 0.00 C ATOM 0 H VAL A 34 13.603 10.767 -7.062 1.00 0.00 H new ATOM 0 HA VAL A 34 13.825 10.938 -9.847 1.00 0.00 H new ATOM 0 HB VAL A 34 15.302 12.445 -7.647 1.00 0.00 H new ATOM 0 HG11 VAL A 34 15.635 14.200 -9.340 1.00 0.00 H new ATOM 0 HG12 VAL A 34 16.438 12.680 -9.798 1.00 0.00 H new ATOM 0 HG13 VAL A 34 14.905 13.145 -10.573 1.00 0.00 H new ATOM 0 HG21 VAL A 34 13.569 14.161 -7.984 1.00 0.00 H new ATOM 0 HG22 VAL A 34 12.755 13.103 -9.161 1.00 0.00 H new ATOM 0 HG23 VAL A 34 12.870 12.612 -7.455 1.00 0.00 H new ATOM 447 N ALA A 35 16.560 9.977 -8.252 1.00 0.00 N ATOM 448 CA ALA A 35 17.862 9.345 -8.429 1.00 0.00 C ATOM 449 C ALA A 35 17.726 7.831 -8.544 1.00 0.00 C ATOM 450 O ALA A 35 18.645 7.087 -8.202 1.00 0.00 O ATOM 451 CB ALA A 35 18.785 9.708 -7.275 1.00 0.00 C ATOM 0 H ALA A 35 16.295 10.132 -7.279 1.00 0.00 H new ATOM 0 HA ALA A 35 18.296 9.716 -9.358 1.00 0.00 H new ATOM 0 HB1 ALA A 35 19.754 9.230 -7.420 1.00 0.00 H new ATOM 0 HB2 ALA A 35 18.916 10.790 -7.240 1.00 0.00 H new ATOM 0 HB3 ALA A 35 18.347 9.365 -6.337 1.00 0.00 H new ATOM 457 N GLY A 36 16.572 7.380 -9.027 1.00 0.00 N ATOM 458 CA GLY A 36 16.337 5.955 -9.178 1.00 0.00 C ATOM 459 C GLY A 36 14.949 5.546 -8.728 1.00 0.00 C ATOM 460 O GLY A 36 14.266 6.300 -8.035 1.00 0.00 O ATOM 0 H GLY A 36 15.796 7.975 -9.316 1.00 0.00 H new ATOM 0 HA2 GLY A 36 16.474 5.676 -10.223 1.00 0.00 H new ATOM 0 HA3 GLY A 36 17.080 5.404 -8.601 1.00 0.00 H new ATOM 464 N ASP A 37 14.529 4.350 -9.125 1.00 0.00 N ATOM 465 CA ASP A 37 13.212 3.842 -8.759 1.00 0.00 C ATOM 466 C ASP A 37 13.327 2.501 -8.040 1.00 0.00 C ATOM 467 O ASP A 37 14.222 1.705 -8.327 1.00 0.00 O ATOM 468 CB ASP A 37 12.335 3.694 -10.003 1.00 0.00 C ATOM 469 CG ASP A 37 11.113 2.832 -9.751 1.00 0.00 C ATOM 470 OD1 ASP A 37 11.264 1.595 -9.681 1.00 0.00 O ATOM 471 OD2 ASP A 37 10.006 3.396 -9.623 1.00 0.00 O ATOM 0 H ASP A 37 15.081 3.714 -9.700 1.00 0.00 H new ATOM 0 HA ASP A 37 12.749 4.559 -8.081 1.00 0.00 H new ATOM 0 HB2 ASP A 37 12.017 4.681 -10.339 1.00 0.00 H new ATOM 0 HB3 ASP A 37 12.924 3.257 -10.809 1.00 0.00 H new ATOM 476 N THR A 38 12.416 2.257 -7.103 1.00 0.00 N ATOM 477 CA THR A 38 12.417 1.014 -6.342 1.00 0.00 C ATOM 478 C THR A 38 10.998 0.593 -5.975 1.00 0.00 C ATOM 479 O THR A 38 10.090 1.417 -5.864 1.00 0.00 O ATOM 480 CB THR A 38 13.250 1.145 -5.053 1.00 0.00 C ATOM 481 OG1 THR A 38 12.841 2.306 -4.321 1.00 0.00 O ATOM 482 CG2 THR A 38 14.734 1.240 -5.375 1.00 0.00 C ATOM 0 H THR A 38 11.668 2.904 -6.853 1.00 0.00 H new ATOM 0 HA THR A 38 12.866 0.253 -6.980 1.00 0.00 H new ATOM 0 HB THR A 38 13.082 0.255 -4.446 1.00 0.00 H new ATOM 0 HG1 THR A 38 13.630 2.751 -3.946 1.00 0.00 H new ATOM 0 HG21 THR A 38 15.302 1.332 -4.449 1.00 0.00 H new ATOM 0 HG22 THR A 38 15.049 0.342 -5.907 1.00 0.00 H new ATOM 0 HG23 THR A 38 14.915 2.114 -6.000 1.00 0.00 H new ATOM 490 N PRO A 39 10.801 -0.719 -5.783 1.00 0.00 N ATOM 491 CA PRO A 39 9.494 -1.279 -5.424 1.00 0.00 C ATOM 492 C PRO A 39 9.074 -0.908 -4.006 1.00 0.00 C ATOM 493 O PRO A 39 9.705 -1.320 -3.032 1.00 0.00 O ATOM 494 CB PRO A 39 9.712 -2.790 -5.539 1.00 0.00 C ATOM 495 CG PRO A 39 11.174 -2.979 -5.325 1.00 0.00 C ATOM 496 CD PRO A 39 11.838 -1.758 -5.899 1.00 0.00 C ATOM 0 HA PRO A 39 8.698 -0.899 -6.065 1.00 0.00 H new ATOM 0 HB2 PRO A 39 9.130 -3.332 -4.794 1.00 0.00 H new ATOM 0 HB3 PRO A 39 9.404 -3.161 -6.516 1.00 0.00 H new ATOM 0 HG2 PRO A 39 11.403 -3.085 -4.265 1.00 0.00 H new ATOM 0 HG3 PRO A 39 11.527 -3.884 -5.819 1.00 0.00 H new ATOM 0 HD2 PRO A 39 12.738 -1.492 -5.344 1.00 0.00 H new ATOM 0 HD3 PRO A 39 12.137 -1.913 -6.936 1.00 0.00 H new ATOM 504 N LEU A 40 8.004 -0.127 -3.897 1.00 0.00 N ATOM 505 CA LEU A 40 7.498 0.299 -2.597 1.00 0.00 C ATOM 506 C LEU A 40 7.289 -0.897 -1.674 1.00 0.00 C ATOM 507 O LEU A 40 6.776 -1.934 -2.093 1.00 0.00 O ATOM 508 CB LEU A 40 6.184 1.064 -2.765 1.00 0.00 C ATOM 509 CG LEU A 40 6.309 2.569 -3.006 1.00 0.00 C ATOM 510 CD1 LEU A 40 5.007 3.132 -3.554 1.00 0.00 C ATOM 511 CD2 LEU A 40 6.703 3.284 -1.722 1.00 0.00 C ATOM 0 H LEU A 40 7.471 0.224 -4.693 1.00 0.00 H new ATOM 0 HA LEU A 40 8.240 0.957 -2.145 1.00 0.00 H new ATOM 0 HB2 LEU A 40 5.637 0.627 -3.600 1.00 0.00 H new ATOM 0 HB3 LEU A 40 5.580 0.908 -1.871 1.00 0.00 H new ATOM 0 HG LEU A 40 7.092 2.735 -3.746 1.00 0.00 H new ATOM 0 HD11 LEU A 40 5.115 4.204 -3.719 1.00 0.00 H new ATOM 0 HD12 LEU A 40 4.767 2.642 -4.498 1.00 0.00 H new ATOM 0 HD13 LEU A 40 4.204 2.954 -2.839 1.00 0.00 H new ATOM 0 HD21 LEU A 40 6.787 4.354 -1.912 1.00 0.00 H new ATOM 0 HD22 LEU A 40 5.943 3.110 -0.961 1.00 0.00 H new ATOM 0 HD23 LEU A 40 7.662 2.901 -1.372 1.00 0.00 H new ATOM 523 N ALA A 41 7.688 -0.744 -0.416 1.00 0.00 N ATOM 524 CA ALA A 41 7.541 -1.811 0.567 1.00 0.00 C ATOM 525 C ALA A 41 7.755 -1.286 1.983 1.00 0.00 C ATOM 526 O ALA A 41 8.696 -0.535 2.241 1.00 0.00 O ATOM 527 CB ALA A 41 8.513 -2.942 0.268 1.00 0.00 C ATOM 0 H ALA A 41 8.115 0.108 -0.053 1.00 0.00 H new ATOM 0 HA ALA A 41 6.523 -2.195 0.500 1.00 0.00 H new ATOM 0 HB1 ALA A 41 8.392 -3.731 1.010 1.00 0.00 H new ATOM 0 HB2 ALA A 41 8.310 -3.343 -0.725 1.00 0.00 H new ATOM 0 HB3 ALA A 41 9.534 -2.563 0.305 1.00 0.00 H new ATOM 533 N VAL A 42 6.876 -1.685 2.896 1.00 0.00 N ATOM 534 CA VAL A 42 6.970 -1.255 4.286 1.00 0.00 C ATOM 535 C VAL A 42 8.420 -1.225 4.756 1.00 0.00 C ATOM 536 O VAL A 42 9.175 -2.171 4.533 1.00 0.00 O ATOM 537 CB VAL A 42 6.161 -2.179 5.216 1.00 0.00 C ATOM 538 CG1 VAL A 42 6.400 -1.813 6.673 1.00 0.00 C ATOM 539 CG2 VAL A 42 4.680 -2.110 4.876 1.00 0.00 C ATOM 0 H VAL A 42 6.091 -2.305 2.698 1.00 0.00 H new ATOM 0 HA VAL A 42 6.554 -0.249 4.334 1.00 0.00 H new ATOM 0 HB VAL A 42 6.498 -3.204 5.065 1.00 0.00 H new ATOM 0 HG11 VAL A 42 5.820 -2.477 7.315 1.00 0.00 H new ATOM 0 HG12 VAL A 42 7.460 -1.918 6.905 1.00 0.00 H new ATOM 0 HG13 VAL A 42 6.092 -0.782 6.844 1.00 0.00 H new ATOM 0 HG21 VAL A 42 4.123 -2.769 5.542 1.00 0.00 H new ATOM 0 HG22 VAL A 42 4.326 -1.086 4.998 1.00 0.00 H new ATOM 0 HG23 VAL A 42 4.529 -2.426 3.844 1.00 0.00 H new ATOM 549 N ARG A 43 8.803 -0.131 5.406 1.00 0.00 N ATOM 550 CA ARG A 43 10.164 0.024 5.907 1.00 0.00 C ATOM 551 C ARG A 43 10.212 -0.169 7.420 1.00 0.00 C ATOM 552 O ARG A 43 10.734 -1.168 7.912 1.00 0.00 O ATOM 553 CB ARG A 43 10.711 1.404 5.540 1.00 0.00 C ATOM 554 CG ARG A 43 12.218 1.524 5.700 1.00 0.00 C ATOM 555 CD ARG A 43 12.630 1.461 7.162 1.00 0.00 C ATOM 556 NE ARG A 43 13.974 1.991 7.375 1.00 0.00 N ATOM 557 CZ ARG A 43 14.298 3.266 7.191 1.00 0.00 C ATOM 558 NH1 ARG A 43 13.381 4.136 6.791 1.00 0.00 N ATOM 559 NH2 ARG A 43 15.543 3.673 7.406 1.00 0.00 N ATOM 0 H ARG A 43 8.190 0.661 5.598 1.00 0.00 H new ATOM 0 HA ARG A 43 10.785 -0.741 5.441 1.00 0.00 H new ATOM 0 HB2 ARG A 43 10.445 1.628 4.507 1.00 0.00 H new ATOM 0 HB3 ARG A 43 10.227 2.155 6.164 1.00 0.00 H new ATOM 0 HG2 ARG A 43 12.708 0.722 5.148 1.00 0.00 H new ATOM 0 HG3 ARG A 43 12.557 2.464 5.265 1.00 0.00 H new ATOM 0 HD2 ARG A 43 11.918 2.026 7.764 1.00 0.00 H new ATOM 0 HD3 ARG A 43 12.589 0.428 7.506 1.00 0.00 H new ATOM 0 HE ARG A 43 14.703 1.347 7.682 1.00 0.00 H new ATOM 0 HH11 ARG A 43 12.423 3.827 6.624 1.00 0.00 H new ATOM 0 HH12 ARG A 43 13.633 5.114 6.651 1.00 0.00 H new ATOM 0 HH21 ARG A 43 16.252 3.007 7.713 1.00 0.00 H new ATOM 0 HH22 ARG A 43 15.791 4.652 7.264 1.00 0.00 H new ATOM 573 N GLY A 44 9.663 0.795 8.152 1.00 0.00 N ATOM 574 CA GLY A 44 9.654 0.713 9.601 1.00 0.00 C ATOM 575 C GLY A 44 8.251 0.714 10.173 1.00 0.00 C ATOM 576 O GLY A 44 7.334 1.293 9.589 1.00 0.00 O ATOM 0 H GLY A 44 9.224 1.632 7.768 1.00 0.00 H new ATOM 0 HA2 GLY A 44 10.170 -0.195 9.914 1.00 0.00 H new ATOM 0 HA3 GLY A 44 10.212 1.554 10.013 1.00 0.00 H new ATOM 580 N LEU A 45 8.080 0.063 11.319 1.00 0.00 N ATOM 581 CA LEU A 45 6.777 -0.011 11.970 1.00 0.00 C ATOM 582 C LEU A 45 6.803 0.696 13.321 1.00 0.00 C ATOM 583 O LEU A 45 7.595 0.352 14.199 1.00 0.00 O ATOM 584 CB LEU A 45 6.359 -1.471 12.154 1.00 0.00 C ATOM 585 CG LEU A 45 5.567 -2.092 11.002 1.00 0.00 C ATOM 586 CD1 LEU A 45 5.437 -3.595 11.194 1.00 0.00 C ATOM 587 CD2 LEU A 45 4.194 -1.446 10.889 1.00 0.00 C ATOM 0 H LEU A 45 8.828 -0.421 11.816 1.00 0.00 H new ATOM 0 HA LEU A 45 6.050 0.491 11.331 1.00 0.00 H new ATOM 0 HB2 LEU A 45 7.257 -2.068 12.315 1.00 0.00 H new ATOM 0 HB3 LEU A 45 5.760 -1.545 13.062 1.00 0.00 H new ATOM 0 HG LEU A 45 6.109 -1.910 10.074 1.00 0.00 H new ATOM 0 HD11 LEU A 45 4.871 -4.020 10.365 1.00 0.00 H new ATOM 0 HD12 LEU A 45 6.429 -4.045 11.224 1.00 0.00 H new ATOM 0 HD13 LEU A 45 4.918 -3.799 12.130 1.00 0.00 H new ATOM 0 HD21 LEU A 45 3.645 -1.900 10.064 1.00 0.00 H new ATOM 0 HD22 LEU A 45 3.644 -1.596 11.818 1.00 0.00 H new ATOM 0 HD23 LEU A 45 4.309 -0.378 10.704 1.00 0.00 H new ATOM 599 N LEU A 46 5.930 1.685 13.482 1.00 0.00 N ATOM 600 CA LEU A 46 5.851 2.440 14.728 1.00 0.00 C ATOM 601 C LEU A 46 5.668 1.506 15.920 1.00 0.00 C ATOM 602 O LEU A 46 4.633 0.854 16.059 1.00 0.00 O ATOM 603 CB LEU A 46 4.696 3.441 14.668 1.00 0.00 C ATOM 604 CG LEU A 46 4.785 4.626 15.630 1.00 0.00 C ATOM 605 CD1 LEU A 46 5.638 5.735 15.033 1.00 0.00 C ATOM 606 CD2 LEU A 46 3.394 5.145 15.967 1.00 0.00 C ATOM 0 H LEU A 46 5.267 1.983 12.766 1.00 0.00 H new ATOM 0 HA LEU A 46 6.788 2.982 14.856 1.00 0.00 H new ATOM 0 HB2 LEU A 46 4.630 3.828 13.651 1.00 0.00 H new ATOM 0 HB3 LEU A 46 3.767 2.906 14.867 1.00 0.00 H new ATOM 0 HG LEU A 46 5.258 4.287 16.551 1.00 0.00 H new ATOM 0 HD11 LEU A 46 5.690 6.570 15.732 1.00 0.00 H new ATOM 0 HD12 LEU A 46 6.643 5.358 14.842 1.00 0.00 H new ATOM 0 HD13 LEU A 46 5.193 6.072 14.097 1.00 0.00 H new ATOM 0 HD21 LEU A 46 3.477 5.988 16.653 1.00 0.00 H new ATOM 0 HD22 LEU A 46 2.895 5.468 15.053 1.00 0.00 H new ATOM 0 HD23 LEU A 46 2.813 4.351 16.437 1.00 0.00 H new ATOM 618 N LYS A 47 6.680 1.447 16.780 1.00 0.00 N ATOM 619 CA LYS A 47 6.631 0.597 17.963 1.00 0.00 C ATOM 620 C LYS A 47 5.258 0.661 18.623 1.00 0.00 C ATOM 621 O LYS A 47 4.694 1.741 18.800 1.00 0.00 O ATOM 622 CB LYS A 47 7.710 1.017 18.963 1.00 0.00 C ATOM 623 CG LYS A 47 8.086 -0.077 19.948 1.00 0.00 C ATOM 624 CD LYS A 47 7.142 -0.104 21.138 1.00 0.00 C ATOM 625 CE LYS A 47 7.098 1.242 21.845 1.00 0.00 C ATOM 626 NZ LYS A 47 6.817 1.096 23.300 1.00 0.00 N ATOM 0 H LYS A 47 7.545 1.979 16.679 1.00 0.00 H new ATOM 0 HA LYS A 47 6.816 -0.430 17.649 1.00 0.00 H new ATOM 0 HB2 LYS A 47 8.601 1.323 18.416 1.00 0.00 H new ATOM 0 HB3 LYS A 47 7.361 1.889 19.517 1.00 0.00 H new ATOM 0 HG2 LYS A 47 8.066 -1.044 19.445 1.00 0.00 H new ATOM 0 HG3 LYS A 47 9.107 0.080 20.296 1.00 0.00 H new ATOM 0 HD2 LYS A 47 6.140 -0.373 20.803 1.00 0.00 H new ATOM 0 HD3 LYS A 47 7.461 -0.875 21.840 1.00 0.00 H new ATOM 0 HE2 LYS A 47 8.050 1.755 21.709 1.00 0.00 H new ATOM 0 HE3 LYS A 47 6.331 1.867 21.388 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 6.561 2.022 23.699 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 6.029 0.431 23.436 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 7.664 0.733 23.782 1.00 0.00 H new ATOM 640 N ASP A 48 4.725 -0.501 18.986 1.00 0.00 N ATOM 641 CA ASP A 48 3.419 -0.575 19.629 1.00 0.00 C ATOM 642 C ASP A 48 2.386 0.242 18.859 1.00 0.00 C ATOM 643 O ASP A 48 1.519 0.882 19.452 1.00 0.00 O ATOM 644 CB ASP A 48 3.508 -0.077 21.073 1.00 0.00 C ATOM 645 CG ASP A 48 3.901 -1.176 22.041 1.00 0.00 C ATOM 646 OD1 ASP A 48 3.611 -2.355 21.749 1.00 0.00 O ATOM 647 OD2 ASP A 48 4.499 -0.856 23.090 1.00 0.00 O ATOM 0 H ASP A 48 5.178 -1.404 18.846 1.00 0.00 H new ATOM 0 HA ASP A 48 3.102 -1.618 19.631 1.00 0.00 H new ATOM 0 HB2 ASP A 48 4.236 0.732 21.131 1.00 0.00 H new ATOM 0 HB3 ASP A 48 2.545 0.339 21.371 1.00 0.00 H new ATOM 652 N GLY A 49 2.487 0.215 17.533 1.00 0.00 N ATOM 653 CA GLY A 49 1.556 0.959 16.704 1.00 0.00 C ATOM 654 C GLY A 49 0.408 0.101 16.209 1.00 0.00 C ATOM 655 O GLY A 49 0.335 -1.096 16.487 1.00 0.00 O ATOM 0 H GLY A 49 3.196 -0.308 17.019 1.00 0.00 H new ATOM 0 HA2 GLY A 49 1.159 1.799 17.273 1.00 0.00 H new ATOM 0 HA3 GLY A 49 2.089 1.376 15.849 1.00 0.00 H new ATOM 659 N PRO A 50 -0.516 0.719 15.460 1.00 0.00 N ATOM 660 CA PRO A 50 -1.684 0.024 14.911 1.00 0.00 C ATOM 661 C PRO A 50 -1.308 -0.961 13.809 1.00 0.00 C ATOM 662 O PRO A 50 -1.883 -2.044 13.709 1.00 0.00 O ATOM 663 CB PRO A 50 -2.539 1.159 14.343 1.00 0.00 C ATOM 664 CG PRO A 50 -1.570 2.251 14.046 1.00 0.00 C ATOM 665 CD PRO A 50 -0.493 2.144 15.090 1.00 0.00 C ATOM 0 HA PRO A 50 -2.193 -0.575 15.666 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -3.068 0.844 13.444 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -3.293 1.483 15.060 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -1.155 2.142 13.044 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -2.056 3.226 14.085 1.00 0.00 H new ATOM 0 HD2 PRO A 50 0.479 2.441 14.696 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -0.699 2.785 15.947 1.00 0.00 H new ATOM 673 N ALA A 51 -0.338 -0.578 12.985 1.00 0.00 N ATOM 674 CA ALA A 51 0.117 -1.428 11.892 1.00 0.00 C ATOM 675 C ALA A 51 0.923 -2.612 12.417 1.00 0.00 C ATOM 676 O ALA A 51 0.793 -3.731 11.921 1.00 0.00 O ATOM 677 CB ALA A 51 0.944 -0.620 10.904 1.00 0.00 C ATOM 0 H ALA A 51 0.148 0.316 13.054 1.00 0.00 H new ATOM 0 HA ALA A 51 -0.761 -1.819 11.378 1.00 0.00 H new ATOM 0 HB1 ALA A 51 1.277 -1.268 10.093 1.00 0.00 H new ATOM 0 HB2 ALA A 51 0.337 0.188 10.497 1.00 0.00 H new ATOM 0 HB3 ALA A 51 1.812 -0.201 11.413 1.00 0.00 H new ATOM 683 N GLN A 52 1.755 -2.356 13.421 1.00 0.00 N ATOM 684 CA GLN A 52 2.583 -3.402 14.011 1.00 0.00 C ATOM 685 C GLN A 52 1.734 -4.375 14.822 1.00 0.00 C ATOM 686 O GLN A 52 1.807 -5.589 14.627 1.00 0.00 O ATOM 687 CB GLN A 52 3.663 -2.785 14.901 1.00 0.00 C ATOM 688 CG GLN A 52 4.495 -3.813 15.650 1.00 0.00 C ATOM 689 CD GLN A 52 5.100 -4.856 14.732 1.00 0.00 C ATOM 690 OE1 GLN A 52 6.022 -4.567 13.969 1.00 0.00 O ATOM 691 NE2 GLN A 52 4.583 -6.077 14.800 1.00 0.00 N ATOM 0 H GLN A 52 1.874 -1.435 13.843 1.00 0.00 H new ATOM 0 HA GLN A 52 3.061 -3.953 13.201 1.00 0.00 H new ATOM 0 HB2 GLN A 52 4.323 -2.174 14.286 1.00 0.00 H new ATOM 0 HB3 GLN A 52 3.191 -2.118 15.622 1.00 0.00 H new ATOM 0 HG2 GLN A 52 5.293 -3.304 16.191 1.00 0.00 H new ATOM 0 HG3 GLN A 52 3.871 -4.308 16.394 1.00 0.00 H new ATOM 0 HE21 GLN A 52 3.819 -6.272 15.447 1.00 0.00 H new ATOM 0 HE22 GLN A 52 4.950 -6.820 14.205 1.00 0.00 H new ATOM 700 N ARG A 53 0.930 -3.836 15.732 1.00 0.00 N ATOM 701 CA ARG A 53 0.069 -4.657 16.574 1.00 0.00 C ATOM 702 C ARG A 53 -0.832 -5.549 15.724 1.00 0.00 C ATOM 703 O ARG A 53 -0.979 -6.741 15.998 1.00 0.00 O ATOM 704 CB ARG A 53 -0.785 -3.772 17.484 1.00 0.00 C ATOM 705 CG ARG A 53 -0.005 -3.144 18.628 1.00 0.00 C ATOM 706 CD ARG A 53 -0.830 -2.092 19.353 1.00 0.00 C ATOM 707 NE ARG A 53 -0.364 -1.877 20.720 1.00 0.00 N ATOM 708 CZ ARG A 53 -1.100 -1.303 21.665 1.00 0.00 C ATOM 709 NH1 ARG A 53 -2.329 -0.888 21.393 1.00 0.00 N ATOM 710 NH2 ARG A 53 -0.606 -1.143 22.886 1.00 0.00 N ATOM 0 H ARG A 53 0.857 -2.833 15.905 1.00 0.00 H new ATOM 0 HA ARG A 53 0.705 -5.293 17.190 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -1.238 -2.981 16.886 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -1.600 -4.367 17.895 1.00 0.00 H new ATOM 0 HG2 ARG A 53 0.298 -3.919 19.332 1.00 0.00 H new ATOM 0 HG3 ARG A 53 0.907 -2.690 18.242 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -0.784 -1.152 18.802 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -1.875 -2.400 19.371 1.00 0.00 H new ATOM 0 HE ARG A 53 0.578 -2.184 20.962 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -2.712 -1.009 20.456 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -2.891 -0.448 22.121 1.00 0.00 H new ATOM 0 HH21 ARG A 53 0.339 -1.461 23.099 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -1.172 -0.702 23.611 1.00 0.00 H new ATOM 724 N CYS A 54 -1.432 -4.964 14.693 1.00 0.00 N ATOM 725 CA CYS A 54 -2.319 -5.705 13.804 1.00 0.00 C ATOM 726 C CYS A 54 -1.595 -6.895 13.182 1.00 0.00 C ATOM 727 O CYS A 54 -2.176 -7.965 13.007 1.00 0.00 O ATOM 728 CB CYS A 54 -2.856 -4.787 12.705 1.00 0.00 C ATOM 729 SG CYS A 54 -4.317 -3.837 13.184 1.00 0.00 S ATOM 0 H CYS A 54 -1.320 -3.979 14.452 1.00 0.00 H new ATOM 0 HA CYS A 54 -3.155 -6.080 14.394 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -2.068 -4.095 12.407 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -3.099 -5.390 11.830 1.00 0.00 H new ATOM 0 HG CYS A 54 -3.953 -2.660 13.598 1.00 0.00 H new ATOM 735 N GLY A 55 -0.323 -6.699 12.847 1.00 0.00 N ATOM 736 CA GLY A 55 0.458 -7.764 12.247 1.00 0.00 C ATOM 737 C GLY A 55 0.223 -7.884 10.754 1.00 0.00 C ATOM 738 O GLY A 55 1.083 -8.373 10.021 1.00 0.00 O ATOM 0 H GLY A 55 0.180 -5.822 12.981 1.00 0.00 H new ATOM 0 HA2 GLY A 55 1.517 -7.582 12.432 1.00 0.00 H new ATOM 0 HA3 GLY A 55 0.208 -8.709 12.728 1.00 0.00 H new ATOM 742 N ARG A 56 -0.945 -7.439 10.303 1.00 0.00 N ATOM 743 CA ARG A 56 -1.291 -7.502 8.888 1.00 0.00 C ATOM 744 C ARG A 56 -0.155 -6.962 8.025 1.00 0.00 C ATOM 745 O ARG A 56 0.075 -7.437 6.912 1.00 0.00 O ATOM 746 CB ARG A 56 -2.571 -6.708 8.619 1.00 0.00 C ATOM 747 CG ARG A 56 -3.840 -7.533 8.757 1.00 0.00 C ATOM 748 CD ARG A 56 -4.208 -8.212 7.447 1.00 0.00 C ATOM 749 NE ARG A 56 -3.233 -9.230 7.065 1.00 0.00 N ATOM 750 CZ ARG A 56 -3.168 -10.433 7.626 1.00 0.00 C ATOM 751 NH1 ARG A 56 -4.017 -10.766 8.588 1.00 0.00 N ATOM 752 NH2 ARG A 56 -2.253 -11.305 7.224 1.00 0.00 N ATOM 0 H ARG A 56 -1.667 -7.031 10.896 1.00 0.00 H new ATOM 0 HA ARG A 56 -1.457 -8.547 8.627 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -2.618 -5.866 9.310 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -2.526 -6.292 7.612 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -3.703 -8.286 9.533 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -4.660 -6.891 9.078 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -5.193 -8.670 7.540 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -4.278 -7.463 6.658 1.00 0.00 H new ATOM 0 HE ARG A 56 -2.565 -9.005 6.327 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -4.722 -10.098 8.899 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -3.965 -11.690 9.017 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -1.598 -11.053 6.484 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -2.204 -12.228 7.655 1.00 0.00 H new ATOM 766 N LEU A 57 0.554 -5.966 8.545 1.00 0.00 N ATOM 767 CA LEU A 57 1.668 -5.360 7.823 1.00 0.00 C ATOM 768 C LEU A 57 2.996 -5.683 8.499 1.00 0.00 C ATOM 769 O LEU A 57 3.133 -5.547 9.715 1.00 0.00 O ATOM 770 CB LEU A 57 1.481 -3.845 7.736 1.00 0.00 C ATOM 771 CG LEU A 57 0.232 -3.363 6.997 1.00 0.00 C ATOM 772 CD1 LEU A 57 -0.196 -1.996 7.506 1.00 0.00 C ATOM 773 CD2 LEU A 57 0.484 -3.320 5.497 1.00 0.00 C ATOM 0 H LEU A 57 0.377 -5.561 9.464 1.00 0.00 H new ATOM 0 HA LEU A 57 1.685 -5.776 6.816 1.00 0.00 H new ATOM 0 HB2 LEU A 57 1.457 -3.444 8.749 1.00 0.00 H new ATOM 0 HB3 LEU A 57 2.356 -3.419 7.245 1.00 0.00 H new ATOM 0 HG LEU A 57 -0.576 -4.069 7.190 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -1.086 -1.670 6.968 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -0.418 -2.058 8.571 1.00 0.00 H new ATOM 0 HD13 LEU A 57 0.609 -1.279 7.344 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -0.415 -2.975 4.987 1.00 0.00 H new ATOM 0 HD22 LEU A 57 1.306 -2.636 5.286 1.00 0.00 H new ATOM 0 HD23 LEU A 57 0.742 -4.318 5.143 1.00 0.00 H new ATOM 785 N GLU A 58 3.972 -6.109 7.703 1.00 0.00 N ATOM 786 CA GLU A 58 5.290 -6.449 8.227 1.00 0.00 C ATOM 787 C GLU A 58 6.391 -5.946 7.297 1.00 0.00 C ATOM 788 O GLU A 58 6.220 -5.907 6.078 1.00 0.00 O ATOM 789 CB GLU A 58 5.415 -7.963 8.411 1.00 0.00 C ATOM 790 CG GLU A 58 4.406 -8.542 9.388 1.00 0.00 C ATOM 791 CD GLU A 58 4.330 -10.055 9.320 1.00 0.00 C ATOM 792 OE1 GLU A 58 3.779 -10.577 8.329 1.00 0.00 O ATOM 793 OE2 GLU A 58 4.822 -10.717 10.258 1.00 0.00 O ATOM 0 H GLU A 58 3.875 -6.227 6.694 1.00 0.00 H new ATOM 0 HA GLU A 58 5.405 -5.962 9.195 1.00 0.00 H new ATOM 0 HB2 GLU A 58 5.292 -8.450 7.443 1.00 0.00 H new ATOM 0 HB3 GLU A 58 6.421 -8.196 8.760 1.00 0.00 H new ATOM 0 HG2 GLU A 58 4.672 -8.241 10.401 1.00 0.00 H new ATOM 0 HG3 GLU A 58 3.422 -8.123 9.179 1.00 0.00 H new ATOM 800 N VAL A 59 7.521 -5.562 7.882 1.00 0.00 N ATOM 801 CA VAL A 59 8.651 -5.062 7.107 1.00 0.00 C ATOM 802 C VAL A 59 8.974 -5.993 5.944 1.00 0.00 C ATOM 803 O VAL A 59 9.272 -7.170 6.141 1.00 0.00 O ATOM 804 CB VAL A 59 9.906 -4.900 7.985 1.00 0.00 C ATOM 805 CG1 VAL A 59 11.078 -4.402 7.154 1.00 0.00 C ATOM 806 CG2 VAL A 59 9.625 -3.958 9.146 1.00 0.00 C ATOM 0 H VAL A 59 7.679 -5.587 8.889 1.00 0.00 H new ATOM 0 HA VAL A 59 8.361 -4.086 6.718 1.00 0.00 H new ATOM 0 HB VAL A 59 10.171 -5.875 8.394 1.00 0.00 H new ATOM 0 HG11 VAL A 59 11.956 -4.294 7.791 1.00 0.00 H new ATOM 0 HG12 VAL A 59 11.292 -5.118 6.361 1.00 0.00 H new ATOM 0 HG13 VAL A 59 10.828 -3.437 6.714 1.00 0.00 H new ATOM 0 HG21 VAL A 59 10.522 -3.855 9.756 1.00 0.00 H new ATOM 0 HG22 VAL A 59 9.335 -2.981 8.760 1.00 0.00 H new ATOM 0 HG23 VAL A 59 8.817 -4.362 9.755 1.00 0.00 H new ATOM 816 N GLY A 60 8.914 -5.456 4.729 1.00 0.00 N ATOM 817 CA GLY A 60 9.203 -6.252 3.551 1.00 0.00 C ATOM 818 C GLY A 60 8.020 -6.343 2.607 1.00 0.00 C ATOM 819 O GLY A 60 8.193 -6.413 1.390 1.00 0.00 O ATOM 0 H GLY A 60 8.670 -4.484 4.540 1.00 0.00 H new ATOM 0 HA2 GLY A 60 10.052 -5.819 3.023 1.00 0.00 H new ATOM 0 HA3 GLY A 60 9.497 -7.256 3.858 1.00 0.00 H new ATOM 823 N ASP A 61 6.816 -6.343 3.168 1.00 0.00 N ATOM 824 CA ASP A 61 5.600 -6.426 2.368 1.00 0.00 C ATOM 825 C ASP A 61 5.654 -5.453 1.195 1.00 0.00 C ATOM 826 O ASP A 61 6.119 -4.321 1.333 1.00 0.00 O ATOM 827 CB ASP A 61 4.374 -6.133 3.234 1.00 0.00 C ATOM 828 CG ASP A 61 4.025 -7.287 4.154 1.00 0.00 C ATOM 829 OD1 ASP A 61 4.894 -8.157 4.371 1.00 0.00 O ATOM 830 OD2 ASP A 61 2.882 -7.319 4.657 1.00 0.00 O ATOM 0 H ASP A 61 6.656 -6.286 4.174 1.00 0.00 H new ATOM 0 HA ASP A 61 5.523 -7.439 1.973 1.00 0.00 H new ATOM 0 HB2 ASP A 61 4.559 -5.240 3.831 1.00 0.00 H new ATOM 0 HB3 ASP A 61 3.522 -5.915 2.590 1.00 0.00 H new ATOM 835 N LEU A 62 5.175 -5.901 0.039 1.00 0.00 N ATOM 836 CA LEU A 62 5.169 -5.071 -1.160 1.00 0.00 C ATOM 837 C LEU A 62 3.794 -4.451 -1.387 1.00 0.00 C ATOM 838 O LEU A 62 2.768 -5.085 -1.139 1.00 0.00 O ATOM 839 CB LEU A 62 5.576 -5.900 -2.380 1.00 0.00 C ATOM 840 CG LEU A 62 6.896 -6.662 -2.264 1.00 0.00 C ATOM 841 CD1 LEU A 62 7.103 -7.558 -3.475 1.00 0.00 C ATOM 842 CD2 LEU A 62 8.059 -5.694 -2.110 1.00 0.00 C ATOM 0 H LEU A 62 4.786 -6.835 -0.093 1.00 0.00 H new ATOM 0 HA LEU A 62 5.890 -4.266 -1.018 1.00 0.00 H new ATOM 0 HB2 LEU A 62 4.782 -6.618 -2.588 1.00 0.00 H new ATOM 0 HB3 LEU A 62 5.638 -5.235 -3.242 1.00 0.00 H new ATOM 0 HG LEU A 62 6.853 -7.291 -1.375 1.00 0.00 H new ATOM 0 HD11 LEU A 62 8.048 -8.093 -3.375 1.00 0.00 H new ATOM 0 HD12 LEU A 62 6.285 -8.276 -3.541 1.00 0.00 H new ATOM 0 HD13 LEU A 62 7.125 -6.949 -4.379 1.00 0.00 H new ATOM 0 HD21 LEU A 62 8.990 -6.254 -2.029 1.00 0.00 H new ATOM 0 HD22 LEU A 62 8.104 -5.039 -2.980 1.00 0.00 H new ATOM 0 HD23 LEU A 62 7.917 -5.094 -1.211 1.00 0.00 H new ATOM 854 N VAL A 63 3.781 -3.210 -1.862 1.00 0.00 N ATOM 855 CA VAL A 63 2.532 -2.506 -2.126 1.00 0.00 C ATOM 856 C VAL A 63 2.264 -2.403 -3.623 1.00 0.00 C ATOM 857 O VAL A 63 3.069 -1.847 -4.372 1.00 0.00 O ATOM 858 CB VAL A 63 2.547 -1.089 -1.520 1.00 0.00 C ATOM 859 CG1 VAL A 63 1.165 -0.460 -1.599 1.00 0.00 C ATOM 860 CG2 VAL A 63 3.042 -1.131 -0.082 1.00 0.00 C ATOM 0 H VAL A 63 4.621 -2.671 -2.072 1.00 0.00 H new ATOM 0 HA VAL A 63 1.737 -3.086 -1.657 1.00 0.00 H new ATOM 0 HB VAL A 63 3.234 -0.472 -2.099 1.00 0.00 H new ATOM 0 HG11 VAL A 63 1.195 0.540 -1.166 1.00 0.00 H new ATOM 0 HG12 VAL A 63 0.854 -0.395 -2.642 1.00 0.00 H new ATOM 0 HG13 VAL A 63 0.454 -1.073 -1.046 1.00 0.00 H new ATOM 0 HG21 VAL A 63 3.046 -0.122 0.331 1.00 0.00 H new ATOM 0 HG22 VAL A 63 2.382 -1.763 0.512 1.00 0.00 H new ATOM 0 HG23 VAL A 63 4.053 -1.538 -0.057 1.00 0.00 H new ATOM 870 N LEU A 64 1.129 -2.943 -4.054 1.00 0.00 N ATOM 871 CA LEU A 64 0.754 -2.912 -5.463 1.00 0.00 C ATOM 872 C LEU A 64 -0.237 -1.786 -5.738 1.00 0.00 C ATOM 873 O LEU A 64 -0.214 -1.171 -6.805 1.00 0.00 O ATOM 874 CB LEU A 64 0.147 -4.253 -5.879 1.00 0.00 C ATOM 875 CG LEU A 64 1.048 -5.478 -5.711 1.00 0.00 C ATOM 876 CD1 LEU A 64 0.270 -6.755 -5.991 1.00 0.00 C ATOM 877 CD2 LEU A 64 2.260 -5.378 -6.626 1.00 0.00 C ATOM 0 H LEU A 64 0.453 -3.407 -3.448 1.00 0.00 H new ATOM 0 HA LEU A 64 1.655 -2.730 -6.049 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -0.762 -4.413 -5.299 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -0.150 -4.186 -6.926 1.00 0.00 H new ATOM 0 HG LEU A 64 1.398 -5.509 -4.679 1.00 0.00 H new ATOM 0 HD11 LEU A 64 0.927 -7.616 -5.867 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -0.565 -6.832 -5.295 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -0.110 -6.733 -7.012 1.00 0.00 H new ATOM 0 HD21 LEU A 64 2.890 -6.258 -6.493 1.00 0.00 H new ATOM 0 HD22 LEU A 64 1.929 -5.322 -7.663 1.00 0.00 H new ATOM 0 HD23 LEU A 64 2.830 -4.483 -6.378 1.00 0.00 H new ATOM 889 N HIS A 65 -1.106 -1.518 -4.768 1.00 0.00 N ATOM 890 CA HIS A 65 -2.103 -0.463 -4.905 1.00 0.00 C ATOM 891 C HIS A 65 -2.413 0.170 -3.552 1.00 0.00 C ATOM 892 O HIS A 65 -1.884 -0.251 -2.523 1.00 0.00 O ATOM 893 CB HIS A 65 -3.385 -1.021 -5.525 1.00 0.00 C ATOM 894 CG HIS A 65 -3.157 -1.758 -6.809 1.00 0.00 C ATOM 895 ND1 HIS A 65 -2.608 -1.168 -7.928 1.00 0.00 N ATOM 896 CD2 HIS A 65 -3.406 -3.045 -7.148 1.00 0.00 C ATOM 897 CE1 HIS A 65 -2.531 -2.060 -8.900 1.00 0.00 C ATOM 898 NE2 HIS A 65 -3.008 -3.207 -8.452 1.00 0.00 N ATOM 0 H HIS A 65 -1.139 -2.017 -3.879 1.00 0.00 H new ATOM 0 HA HIS A 65 -1.695 0.305 -5.562 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -3.863 -1.691 -4.811 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -4.079 -0.200 -5.705 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -3.837 -3.803 -6.511 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -2.144 -1.881 -9.892 1.00 0.00 H new ATOM 0 HE2 HIS A 65 -3.071 -4.073 -8.988 1.00 0.00 H new ATOM 907 N ILE A 66 -3.272 1.184 -3.561 1.00 0.00 N ATOM 908 CA ILE A 66 -3.652 1.874 -2.335 1.00 0.00 C ATOM 909 C ILE A 66 -5.050 2.472 -2.451 1.00 0.00 C ATOM 910 O ILE A 66 -5.353 3.186 -3.406 1.00 0.00 O ATOM 911 CB ILE A 66 -2.654 2.995 -1.988 1.00 0.00 C ATOM 912 CG1 ILE A 66 -1.258 2.411 -1.757 1.00 0.00 C ATOM 913 CG2 ILE A 66 -3.124 3.760 -0.760 1.00 0.00 C ATOM 914 CD1 ILE A 66 -0.216 3.453 -1.418 1.00 0.00 C ATOM 0 H ILE A 66 -3.718 1.546 -4.404 1.00 0.00 H new ATOM 0 HA ILE A 66 -3.643 1.130 -1.538 1.00 0.00 H new ATOM 0 HB ILE A 66 -2.603 3.689 -2.827 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -1.307 1.682 -0.948 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -0.945 1.874 -2.652 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -2.409 4.549 -0.527 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -4.100 4.202 -0.958 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -3.200 3.078 0.087 1.00 0.00 H new ATOM 0 HD11 ILE A 66 0.748 2.968 -1.268 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -0.138 4.169 -2.236 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -0.506 3.974 -0.506 1.00 0.00 H new ATOM 926 N ASN A 67 -5.897 2.176 -1.470 1.00 0.00 N ATOM 927 CA ASN A 67 -7.264 2.686 -1.461 1.00 0.00 C ATOM 928 C ASN A 67 -7.935 2.466 -2.814 1.00 0.00 C ATOM 929 O ASN A 67 -8.631 3.344 -3.322 1.00 0.00 O ATOM 930 CB ASN A 67 -7.272 4.175 -1.110 1.00 0.00 C ATOM 931 CG ASN A 67 -7.146 4.418 0.381 1.00 0.00 C ATOM 932 OD1 ASN A 67 -8.078 4.163 1.144 1.00 0.00 O ATOM 933 ND2 ASN A 67 -5.989 4.915 0.803 1.00 0.00 N ATOM 0 H ASN A 67 -5.661 1.586 -0.672 1.00 0.00 H new ATOM 0 HA ASN A 67 -7.826 2.139 -0.704 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -6.451 4.672 -1.627 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -8.196 4.626 -1.472 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -5.845 5.101 1.796 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -5.244 5.111 0.134 1.00 0.00 H new ATOM 940 N GLY A 68 -7.719 1.288 -3.391 1.00 0.00 N ATOM 941 CA GLY A 68 -8.310 0.974 -4.679 1.00 0.00 C ATOM 942 C GLY A 68 -7.805 1.879 -5.785 1.00 0.00 C ATOM 943 O GLY A 68 -8.500 2.108 -6.774 1.00 0.00 O ATOM 0 H GLY A 68 -7.146 0.546 -2.990 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -8.090 -0.063 -4.933 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -9.394 1.062 -4.609 1.00 0.00 H new ATOM 947 N GLU A 69 -6.591 2.395 -5.617 1.00 0.00 N ATOM 948 CA GLU A 69 -5.995 3.282 -6.609 1.00 0.00 C ATOM 949 C GLU A 69 -4.732 2.664 -7.201 1.00 0.00 C ATOM 950 O GLU A 69 -4.027 1.907 -6.535 1.00 0.00 O ATOM 951 CB GLU A 69 -5.667 4.638 -5.981 1.00 0.00 C ATOM 952 CG GLU A 69 -5.638 5.781 -6.982 1.00 0.00 C ATOM 953 CD GLU A 69 -4.685 6.888 -6.576 1.00 0.00 C ATOM 954 OE1 GLU A 69 -3.671 6.584 -5.912 1.00 0.00 O ATOM 955 OE2 GLU A 69 -4.952 8.058 -6.921 1.00 0.00 O ATOM 0 H GLU A 69 -6.002 2.214 -4.804 1.00 0.00 H new ATOM 0 HA GLU A 69 -6.718 3.427 -7.411 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -6.405 4.860 -5.210 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -4.698 4.575 -5.486 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -5.346 5.396 -7.959 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -6.642 6.192 -7.088 1.00 0.00 H new ATOM 962 N SER A 70 -4.453 2.994 -8.459 1.00 0.00 N ATOM 963 CA SER A 70 -3.277 2.469 -9.144 1.00 0.00 C ATOM 964 C SER A 70 -2.044 3.309 -8.827 1.00 0.00 C ATOM 965 O SER A 70 -1.989 4.498 -9.145 1.00 0.00 O ATOM 966 CB SER A 70 -3.513 2.437 -10.655 1.00 0.00 C ATOM 967 OG SER A 70 -4.396 1.387 -11.011 1.00 0.00 O ATOM 0 H SER A 70 -5.025 3.622 -9.024 1.00 0.00 H new ATOM 0 HA SER A 70 -3.103 1.453 -8.790 1.00 0.00 H new ATOM 0 HB2 SER A 70 -3.927 3.391 -10.982 1.00 0.00 H new ATOM 0 HB3 SER A 70 -2.562 2.308 -11.172 1.00 0.00 H new ATOM 0 HG SER A 70 -4.532 1.389 -11.982 1.00 0.00 H new ATOM 973 N THR A 71 -1.054 2.683 -8.199 1.00 0.00 N ATOM 974 CA THR A 71 0.179 3.371 -7.837 1.00 0.00 C ATOM 975 C THR A 71 1.226 3.235 -8.936 1.00 0.00 C ATOM 976 O THR A 71 2.405 3.517 -8.720 1.00 0.00 O ATOM 977 CB THR A 71 0.760 2.827 -6.519 1.00 0.00 C ATOM 978 OG1 THR A 71 1.940 3.558 -6.165 1.00 0.00 O ATOM 979 CG2 THR A 71 1.093 1.348 -6.644 1.00 0.00 C ATOM 0 H THR A 71 -1.082 1.699 -7.930 1.00 0.00 H new ATOM 0 HA THR A 71 -0.072 4.424 -7.706 1.00 0.00 H new ATOM 0 HB THR A 71 0.009 2.950 -5.739 1.00 0.00 H new ATOM 0 HG1 THR A 71 2.560 3.565 -6.924 1.00 0.00 H new ATOM 0 HG21 THR A 71 1.502 0.986 -5.701 1.00 0.00 H new ATOM 0 HG22 THR A 71 0.188 0.790 -6.885 1.00 0.00 H new ATOM 0 HG23 THR A 71 1.828 1.206 -7.436 1.00 0.00 H new ATOM 987 N GLN A 72 0.789 2.803 -10.114 1.00 0.00 N ATOM 988 CA GLN A 72 1.691 2.630 -11.247 1.00 0.00 C ATOM 989 C GLN A 72 2.478 3.908 -11.516 1.00 0.00 C ATOM 990 O GLN A 72 3.634 3.860 -11.934 1.00 0.00 O ATOM 991 CB GLN A 72 0.904 2.229 -12.496 1.00 0.00 C ATOM 992 CG GLN A 72 -0.025 3.320 -13.005 1.00 0.00 C ATOM 993 CD GLN A 72 -1.198 2.767 -13.791 1.00 0.00 C ATOM 994 OE1 GLN A 72 -1.340 1.554 -13.945 1.00 0.00 O ATOM 995 NE2 GLN A 72 -2.047 3.657 -14.292 1.00 0.00 N ATOM 0 H GLN A 72 -0.184 2.566 -10.309 1.00 0.00 H new ATOM 0 HA GLN A 72 2.396 1.836 -11.000 1.00 0.00 H new ATOM 0 HB2 GLN A 72 1.605 1.962 -13.287 1.00 0.00 H new ATOM 0 HB3 GLN A 72 0.317 1.337 -12.275 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -0.399 3.897 -12.159 1.00 0.00 H new ATOM 0 HG3 GLN A 72 0.539 4.007 -13.636 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -1.890 4.653 -14.140 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -2.856 3.344 -14.829 1.00 0.00 H new ATOM 1004 N GLY A 73 1.844 5.051 -11.273 1.00 0.00 N ATOM 1005 CA GLY A 73 2.500 6.326 -11.495 1.00 0.00 C ATOM 1006 C GLY A 73 2.429 7.233 -10.282 1.00 0.00 C ATOM 1007 O GLY A 73 2.252 8.445 -10.414 1.00 0.00 O ATOM 0 H GLY A 73 0.887 5.117 -10.926 1.00 0.00 H new ATOM 0 HA2 GLY A 73 3.544 6.153 -11.755 1.00 0.00 H new ATOM 0 HA3 GLY A 73 2.038 6.826 -12.346 1.00 0.00 H new ATOM 1011 N LEU A 74 2.566 6.647 -9.098 1.00 0.00 N ATOM 1012 CA LEU A 74 2.515 7.411 -7.856 1.00 0.00 C ATOM 1013 C LEU A 74 3.842 7.325 -7.109 1.00 0.00 C ATOM 1014 O LEU A 74 4.345 6.234 -6.838 1.00 0.00 O ATOM 1015 CB LEU A 74 1.381 6.899 -6.966 1.00 0.00 C ATOM 1016 CG LEU A 74 -0.033 7.048 -7.528 1.00 0.00 C ATOM 1017 CD1 LEU A 74 -1.054 6.464 -6.564 1.00 0.00 C ATOM 1018 CD2 LEU A 74 -0.342 8.510 -7.814 1.00 0.00 C ATOM 0 H LEU A 74 2.713 5.646 -8.971 1.00 0.00 H new ATOM 0 HA LEU A 74 2.328 8.455 -8.107 1.00 0.00 H new ATOM 0 HB2 LEU A 74 1.558 5.844 -6.757 1.00 0.00 H new ATOM 0 HB3 LEU A 74 1.429 7.425 -6.012 1.00 0.00 H new ATOM 0 HG LEU A 74 -0.091 6.495 -8.466 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -2.055 6.579 -6.980 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -0.845 5.406 -6.409 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -0.995 6.988 -5.610 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -1.352 8.597 -8.213 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -0.266 9.085 -6.891 1.00 0.00 H new ATOM 0 HD23 LEU A 74 0.371 8.897 -8.543 1.00 0.00 H new ATOM 1030 N THR A 75 4.404 8.483 -6.777 1.00 0.00 N ATOM 1031 CA THR A 75 5.672 8.539 -6.060 1.00 0.00 C ATOM 1032 C THR A 75 5.463 8.378 -4.559 1.00 0.00 C ATOM 1033 O THR A 75 4.329 8.351 -4.079 1.00 0.00 O ATOM 1034 CB THR A 75 6.409 9.865 -6.325 1.00 0.00 C ATOM 1035 OG1 THR A 75 5.503 10.965 -6.187 1.00 0.00 O ATOM 1036 CG2 THR A 75 7.019 9.877 -7.718 1.00 0.00 C ATOM 0 H THR A 75 4.001 9.395 -6.993 1.00 0.00 H new ATOM 0 HA THR A 75 6.280 7.714 -6.430 1.00 0.00 H new ATOM 0 HB THR A 75 7.211 9.961 -5.593 1.00 0.00 H new ATOM 0 HG1 THR A 75 5.980 11.805 -6.355 1.00 0.00 H new ATOM 0 HG21 THR A 75 7.534 10.824 -7.882 1.00 0.00 H new ATOM 0 HG22 THR A 75 7.730 9.056 -7.811 1.00 0.00 H new ATOM 0 HG23 THR A 75 6.231 9.760 -8.461 1.00 0.00 H new ATOM 1044 N HIS A 76 6.563 8.272 -3.820 1.00 0.00 N ATOM 1045 CA HIS A 76 6.499 8.115 -2.371 1.00 0.00 C ATOM 1046 C HIS A 76 5.531 9.122 -1.758 1.00 0.00 C ATOM 1047 O HIS A 76 4.733 8.779 -0.886 1.00 0.00 O ATOM 1048 CB HIS A 76 7.888 8.287 -1.757 1.00 0.00 C ATOM 1049 CG HIS A 76 7.872 8.413 -0.265 1.00 0.00 C ATOM 1050 ND1 HIS A 76 8.551 9.402 0.415 1.00 0.00 N ATOM 1051 CD2 HIS A 76 7.252 7.668 0.680 1.00 0.00 C ATOM 1052 CE1 HIS A 76 8.351 9.259 1.713 1.00 0.00 C ATOM 1053 NE2 HIS A 76 7.565 8.214 1.900 1.00 0.00 N ATOM 0 H HIS A 76 7.509 8.292 -4.201 1.00 0.00 H new ATOM 0 HA HIS A 76 6.136 7.110 -2.155 1.00 0.00 H new ATOM 0 HB2 HIS A 76 8.507 7.434 -2.035 1.00 0.00 H new ATOM 0 HB3 HIS A 76 8.357 9.174 -2.183 1.00 0.00 H new ATOM 0 HD2 HIS A 76 6.627 6.804 0.506 1.00 0.00 H new ATOM 0 HE1 HIS A 76 8.760 9.889 2.489 1.00 0.00 H new ATOM 0 HE2 HIS A 76 7.243 7.869 2.804 1.00 0.00 H new ATOM 1062 N ALA A 77 5.607 10.366 -2.219 1.00 0.00 N ATOM 1063 CA ALA A 77 4.738 11.422 -1.717 1.00 0.00 C ATOM 1064 C ALA A 77 3.280 11.149 -2.073 1.00 0.00 C ATOM 1065 O ALA A 77 2.399 11.225 -1.218 1.00 0.00 O ATOM 1066 CB ALA A 77 5.173 12.772 -2.268 1.00 0.00 C ATOM 0 H ALA A 77 6.262 10.667 -2.940 1.00 0.00 H new ATOM 0 HA ALA A 77 4.823 11.441 -0.630 1.00 0.00 H new ATOM 0 HB1 ALA A 77 4.514 13.551 -1.884 1.00 0.00 H new ATOM 0 HB2 ALA A 77 6.198 12.978 -1.959 1.00 0.00 H new ATOM 0 HB3 ALA A 77 5.119 12.755 -3.357 1.00 0.00 H new ATOM 1072 N GLN A 78 3.035 10.831 -3.340 1.00 0.00 N ATOM 1073 CA GLN A 78 1.683 10.547 -3.808 1.00 0.00 C ATOM 1074 C GLN A 78 1.059 9.406 -3.012 1.00 0.00 C ATOM 1075 O GLN A 78 0.052 9.591 -2.329 1.00 0.00 O ATOM 1076 CB GLN A 78 1.700 10.197 -5.297 1.00 0.00 C ATOM 1077 CG GLN A 78 1.971 11.390 -6.200 1.00 0.00 C ATOM 1078 CD GLN A 78 1.046 12.557 -5.918 1.00 0.00 C ATOM 1079 OE1 GLN A 78 -0.120 12.370 -5.569 1.00 0.00 O ATOM 1080 NE2 GLN A 78 1.562 13.771 -6.068 1.00 0.00 N ATOM 0 H GLN A 78 3.754 10.764 -4.060 1.00 0.00 H new ATOM 0 HA GLN A 78 1.078 11.442 -3.659 1.00 0.00 H new ATOM 0 HB2 GLN A 78 2.461 9.437 -5.474 1.00 0.00 H new ATOM 0 HB3 GLN A 78 0.741 9.757 -5.569 1.00 0.00 H new ATOM 0 HG2 GLN A 78 3.005 11.711 -6.071 1.00 0.00 H new ATOM 0 HG3 GLN A 78 1.859 11.086 -7.241 1.00 0.00 H new ATOM 0 HE21 GLN A 78 2.534 13.880 -6.359 1.00 0.00 H new ATOM 0 HE22 GLN A 78 0.987 14.595 -5.892 1.00 0.00 H new ATOM 1089 N ALA A 79 1.664 8.227 -3.104 1.00 0.00 N ATOM 1090 CA ALA A 79 1.169 7.056 -2.391 1.00 0.00 C ATOM 1091 C ALA A 79 0.804 7.404 -0.952 1.00 0.00 C ATOM 1092 O ALA A 79 -0.268 7.040 -0.468 1.00 0.00 O ATOM 1093 CB ALA A 79 2.206 5.942 -2.420 1.00 0.00 C ATOM 0 H ALA A 79 2.498 8.057 -3.666 1.00 0.00 H new ATOM 0 HA ALA A 79 0.266 6.710 -2.894 1.00 0.00 H new ATOM 0 HB1 ALA A 79 1.823 5.074 -1.884 1.00 0.00 H new ATOM 0 HB2 ALA A 79 2.415 5.667 -3.454 1.00 0.00 H new ATOM 0 HB3 ALA A 79 3.124 6.287 -1.943 1.00 0.00 H new ATOM 1099 N VAL A 80 1.702 8.109 -0.272 1.00 0.00 N ATOM 1100 CA VAL A 80 1.474 8.506 1.112 1.00 0.00 C ATOM 1101 C VAL A 80 0.280 9.446 1.224 1.00 0.00 C ATOM 1102 O VAL A 80 -0.619 9.230 2.037 1.00 0.00 O ATOM 1103 CB VAL A 80 2.715 9.196 1.710 1.00 0.00 C ATOM 1104 CG1 VAL A 80 2.442 9.641 3.138 1.00 0.00 C ATOM 1105 CG2 VAL A 80 3.919 8.268 1.653 1.00 0.00 C ATOM 0 H VAL A 80 2.595 8.417 -0.657 1.00 0.00 H new ATOM 0 HA VAL A 80 1.269 7.594 1.673 1.00 0.00 H new ATOM 0 HB VAL A 80 2.939 10.082 1.116 1.00 0.00 H new ATOM 0 HG11 VAL A 80 3.330 10.126 3.544 1.00 0.00 H new ATOM 0 HG12 VAL A 80 1.608 10.343 3.147 1.00 0.00 H new ATOM 0 HG13 VAL A 80 2.192 8.773 3.748 1.00 0.00 H new ATOM 0 HG21 VAL A 80 4.787 8.771 2.079 1.00 0.00 H new ATOM 0 HG22 VAL A 80 3.708 7.363 2.223 1.00 0.00 H new ATOM 0 HG23 VAL A 80 4.126 8.004 0.616 1.00 0.00 H new ATOM 1115 N GLU A 81 0.277 10.491 0.402 1.00 0.00 N ATOM 1116 CA GLU A 81 -0.808 11.465 0.410 1.00 0.00 C ATOM 1117 C GLU A 81 -2.161 10.774 0.269 1.00 0.00 C ATOM 1118 O GLU A 81 -3.127 11.134 0.943 1.00 0.00 O ATOM 1119 CB GLU A 81 -0.621 12.479 -0.721 1.00 0.00 C ATOM 1120 CG GLU A 81 -1.723 13.523 -0.791 1.00 0.00 C ATOM 1121 CD GLU A 81 -1.915 14.076 -2.190 1.00 0.00 C ATOM 1122 OE1 GLU A 81 -0.932 14.589 -2.765 1.00 0.00 O ATOM 1123 OE2 GLU A 81 -3.048 13.995 -2.710 1.00 0.00 O ATOM 0 H GLU A 81 1.013 10.684 -0.277 1.00 0.00 H new ATOM 0 HA GLU A 81 -0.785 11.988 1.366 1.00 0.00 H new ATOM 0 HB2 GLU A 81 0.337 12.982 -0.592 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -0.576 11.947 -1.671 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -2.659 13.082 -0.447 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -1.487 14.341 -0.110 1.00 0.00 H new ATOM 1130 N ARG A 82 -2.223 9.780 -0.610 1.00 0.00 N ATOM 1131 CA ARG A 82 -3.457 9.039 -0.841 1.00 0.00 C ATOM 1132 C ARG A 82 -3.978 8.432 0.459 1.00 0.00 C ATOM 1133 O ARG A 82 -5.175 8.481 0.742 1.00 0.00 O ATOM 1134 CB ARG A 82 -3.229 7.936 -1.876 1.00 0.00 C ATOM 1135 CG ARG A 82 -2.819 8.458 -3.243 1.00 0.00 C ATOM 1136 CD ARG A 82 -3.998 9.072 -3.982 1.00 0.00 C ATOM 1137 NE ARG A 82 -5.199 8.249 -3.875 1.00 0.00 N ATOM 1138 CZ ARG A 82 -6.430 8.721 -4.033 1.00 0.00 C ATOM 1139 NH1 ARG A 82 -6.622 10.005 -4.303 1.00 0.00 N ATOM 1140 NH2 ARG A 82 -7.474 7.909 -3.920 1.00 0.00 N ATOM 0 H ARG A 82 -1.433 9.469 -1.175 1.00 0.00 H new ATOM 0 HA ARG A 82 -4.204 9.736 -1.222 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -2.458 7.259 -1.509 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -4.143 7.352 -1.979 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -2.032 9.204 -3.128 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -2.402 7.643 -3.835 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -4.201 10.064 -3.579 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -3.740 9.201 -5.033 1.00 0.00 H new ATOM 0 HE ARG A 82 -5.086 7.257 -3.667 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -5.823 10.633 -4.390 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -7.569 10.365 -4.424 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -7.331 6.921 -3.711 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -8.419 8.273 -4.042 1.00 0.00 H new ATOM 1154 N ILE A 83 -3.071 7.860 1.243 1.00 0.00 N ATOM 1155 CA ILE A 83 -3.439 7.244 2.512 1.00 0.00 C ATOM 1156 C ILE A 83 -3.963 8.285 3.496 1.00 0.00 C ATOM 1157 O ILE A 83 -5.072 8.160 4.015 1.00 0.00 O ATOM 1158 CB ILE A 83 -2.245 6.509 3.148 1.00 0.00 C ATOM 1159 CG1 ILE A 83 -1.649 5.506 2.157 1.00 0.00 C ATOM 1160 CG2 ILE A 83 -2.676 5.805 4.427 1.00 0.00 C ATOM 1161 CD1 ILE A 83 -0.189 5.200 2.412 1.00 0.00 C ATOM 0 H ILE A 83 -2.076 7.810 1.022 1.00 0.00 H new ATOM 0 HA ILE A 83 -4.226 6.522 2.296 1.00 0.00 H new ATOM 0 HB ILE A 83 -1.479 7.242 3.400 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -2.220 4.579 2.203 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -1.759 5.898 1.146 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -1.821 5.290 4.865 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -3.059 6.540 5.135 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -3.457 5.081 4.198 1.00 0.00 H new ATOM 0 HD11 ILE A 83 0.167 4.483 1.673 1.00 0.00 H new ATOM 0 HD12 ILE A 83 0.394 6.118 2.337 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -0.075 4.779 3.411 1.00 0.00 H new ATOM 1173 N ARG A 84 -3.158 9.312 3.747 1.00 0.00 N ATOM 1174 CA ARG A 84 -3.541 10.375 4.669 1.00 0.00 C ATOM 1175 C ARG A 84 -4.884 10.982 4.271 1.00 0.00 C ATOM 1176 O ARG A 84 -5.796 11.086 5.091 1.00 0.00 O ATOM 1177 CB ARG A 84 -2.467 11.464 4.700 1.00 0.00 C ATOM 1178 CG ARG A 84 -1.232 11.078 5.497 1.00 0.00 C ATOM 1179 CD ARG A 84 -1.364 11.480 6.958 1.00 0.00 C ATOM 1180 NE ARG A 84 -2.020 10.446 7.753 1.00 0.00 N ATOM 1181 CZ ARG A 84 -1.954 10.385 9.078 1.00 0.00 C ATOM 1182 NH1 ARG A 84 -1.266 11.295 9.754 1.00 0.00 N ATOM 1183 NH2 ARG A 84 -2.579 9.413 9.731 1.00 0.00 N ATOM 0 H ARG A 84 -2.237 9.431 3.325 1.00 0.00 H new ATOM 0 HA ARG A 84 -3.638 9.941 5.664 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -2.171 11.699 3.678 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -2.894 12.372 5.125 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -1.074 10.002 5.427 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -0.354 11.557 5.064 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -0.375 11.681 7.370 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -1.933 12.407 7.029 1.00 0.00 H new ATOM 0 HE ARG A 84 -2.559 9.731 7.264 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -0.786 12.045 9.256 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -1.217 11.245 10.772 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -3.111 8.712 9.215 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -2.528 9.367 10.749 1.00 0.00 H new ATOM 1197 N ALA A 85 -4.996 11.380 3.008 1.00 0.00 N ATOM 1198 CA ALA A 85 -6.227 11.975 2.502 1.00 0.00 C ATOM 1199 C ALA A 85 -7.372 10.968 2.523 1.00 0.00 C ATOM 1200 O ALA A 85 -8.533 11.336 2.701 1.00 0.00 O ATOM 1201 CB ALA A 85 -6.015 12.507 1.092 1.00 0.00 C ATOM 0 H ALA A 85 -4.250 11.301 2.317 1.00 0.00 H new ATOM 0 HA ALA A 85 -6.496 12.805 3.155 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -6.942 12.948 0.726 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -5.232 13.265 1.103 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -5.719 11.689 0.435 1.00 0.00 H new ATOM 1207 N GLY A 86 -7.038 9.694 2.339 1.00 0.00 N ATOM 1208 CA GLY A 86 -8.050 8.654 2.340 1.00 0.00 C ATOM 1209 C GLY A 86 -9.135 8.901 3.369 1.00 0.00 C ATOM 1210 O GLY A 86 -10.323 8.795 3.067 1.00 0.00 O ATOM 0 H GLY A 86 -6.085 9.364 2.189 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -8.501 8.589 1.350 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -7.578 7.692 2.539 1.00 0.00 H new ATOM 1214 N GLY A 87 -8.726 9.230 4.591 1.00 0.00 N ATOM 1215 CA GLY A 87 -9.684 9.486 5.650 1.00 0.00 C ATOM 1216 C GLY A 87 -9.303 8.809 6.952 1.00 0.00 C ATOM 1217 O GLY A 87 -8.137 8.498 7.197 1.00 0.00 O ATOM 0 H GLY A 87 -7.748 9.324 4.866 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -9.763 10.561 5.812 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -10.668 9.138 5.337 1.00 0.00 H new ATOM 1221 N PRO A 88 -10.302 8.573 7.815 1.00 0.00 N ATOM 1222 CA PRO A 88 -10.090 7.928 9.114 1.00 0.00 C ATOM 1223 C PRO A 88 -9.730 6.453 8.977 1.00 0.00 C ATOM 1224 O PRO A 88 -9.177 5.852 9.897 1.00 0.00 O ATOM 1225 CB PRO A 88 -11.443 8.085 9.813 1.00 0.00 C ATOM 1226 CG PRO A 88 -12.431 8.206 8.705 1.00 0.00 C ATOM 1227 CD PRO A 88 -11.716 8.918 7.589 1.00 0.00 C ATOM 0 HA PRO A 88 -9.258 8.374 9.659 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -11.663 7.226 10.447 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -11.457 8.966 10.454 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -12.778 7.224 8.383 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -13.310 8.766 9.025 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -12.061 8.581 6.611 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -11.878 9.995 7.630 1.00 0.00 H new ATOM 1235 N GLN A 89 -10.047 5.876 7.822 1.00 0.00 N ATOM 1236 CA GLN A 89 -9.756 4.471 7.565 1.00 0.00 C ATOM 1237 C GLN A 89 -8.637 4.325 6.539 1.00 0.00 C ATOM 1238 O GLN A 89 -8.642 4.989 5.501 1.00 0.00 O ATOM 1239 CB GLN A 89 -11.012 3.750 7.074 1.00 0.00 C ATOM 1240 CG GLN A 89 -11.908 3.253 8.198 1.00 0.00 C ATOM 1241 CD GLN A 89 -12.843 2.146 7.753 1.00 0.00 C ATOM 1242 OE1 GLN A 89 -13.962 2.404 7.310 1.00 0.00 O ATOM 1243 NE2 GLN A 89 -12.387 0.904 7.869 1.00 0.00 N ATOM 0 H GLN A 89 -10.505 6.360 7.050 1.00 0.00 H new ATOM 0 HA GLN A 89 -9.427 4.017 8.500 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -11.583 4.426 6.437 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -10.716 2.903 6.455 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -11.288 2.892 9.019 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -12.495 4.086 8.585 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -11.452 0.737 8.242 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -12.971 0.118 7.585 1.00 0.00 H new ATOM 1252 N LEU A 90 -7.680 3.453 6.835 1.00 0.00 N ATOM 1253 CA LEU A 90 -6.553 3.220 5.937 1.00 0.00 C ATOM 1254 C LEU A 90 -6.756 1.942 5.130 1.00 0.00 C ATOM 1255 O LEU A 90 -7.045 0.882 5.686 1.00 0.00 O ATOM 1256 CB LEU A 90 -5.251 3.131 6.735 1.00 0.00 C ATOM 1257 CG LEU A 90 -4.036 2.593 5.978 1.00 0.00 C ATOM 1258 CD1 LEU A 90 -2.754 3.198 6.527 1.00 0.00 C ATOM 1259 CD2 LEU A 90 -3.988 1.074 6.058 1.00 0.00 C ATOM 0 H LEU A 90 -7.661 2.896 7.689 1.00 0.00 H new ATOM 0 HA LEU A 90 -6.491 4.059 5.244 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -5.009 4.125 7.110 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -5.423 2.496 7.604 1.00 0.00 H new ATOM 0 HG LEU A 90 -4.129 2.879 4.930 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -1.900 2.803 5.976 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -2.787 4.282 6.417 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -2.654 2.943 7.582 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -3.117 0.708 5.514 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -3.919 0.767 7.101 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -4.893 0.658 5.616 1.00 0.00 H new ATOM 1271 N HIS A 91 -6.601 2.049 3.814 1.00 0.00 N ATOM 1272 CA HIS A 91 -6.764 0.901 2.929 1.00 0.00 C ATOM 1273 C HIS A 91 -5.552 0.742 2.016 1.00 0.00 C ATOM 1274 O HIS A 91 -5.251 1.621 1.208 1.00 0.00 O ATOM 1275 CB HIS A 91 -8.033 1.054 2.089 1.00 0.00 C ATOM 1276 CG HIS A 91 -8.568 -0.245 1.570 1.00 0.00 C ATOM 1277 ND1 HIS A 91 -8.432 -0.644 0.257 1.00 0.00 N ATOM 1278 CD2 HIS A 91 -9.242 -1.238 2.196 1.00 0.00 C ATOM 1279 CE1 HIS A 91 -9.001 -1.826 0.097 1.00 0.00 C ATOM 1280 NE2 HIS A 91 -9.499 -2.208 1.259 1.00 0.00 N ATOM 0 H HIS A 91 -6.363 2.919 3.337 1.00 0.00 H new ATOM 0 HA HIS A 91 -6.851 0.007 3.547 1.00 0.00 H new ATOM 0 HB2 HIS A 91 -8.801 1.539 2.691 1.00 0.00 H new ATOM 0 HB3 HIS A 91 -7.824 1.714 1.247 1.00 0.00 H new ATOM 0 HD2 HIS A 91 -9.525 -1.263 3.238 1.00 0.00 H new ATOM 0 HE1 HIS A 91 -9.050 -2.384 -0.826 1.00 0.00 H new ATOM 0 HE2 HIS A 91 -9.995 -3.083 1.432 1.00 0.00 H new ATOM 1289 N LEU A 92 -4.860 -0.384 2.152 1.00 0.00 N ATOM 1290 CA LEU A 92 -3.679 -0.659 1.340 1.00 0.00 C ATOM 1291 C LEU A 92 -3.717 -2.080 0.788 1.00 0.00 C ATOM 1292 O LEU A 92 -4.214 -2.998 1.440 1.00 0.00 O ATOM 1293 CB LEU A 92 -2.409 -0.454 2.167 1.00 0.00 C ATOM 1294 CG LEU A 92 -2.320 0.859 2.946 1.00 0.00 C ATOM 1295 CD1 LEU A 92 -1.049 0.899 3.781 1.00 0.00 C ATOM 1296 CD2 LEU A 92 -2.374 2.047 1.998 1.00 0.00 C ATOM 0 H LEU A 92 -5.096 -1.121 2.816 1.00 0.00 H new ATOM 0 HA LEU A 92 -3.675 0.037 0.501 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -2.323 -1.279 2.874 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -1.550 -0.516 1.499 1.00 0.00 H new ATOM 0 HG LEU A 92 -3.175 0.918 3.619 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -1.003 1.840 4.328 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -1.051 0.069 4.487 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -0.181 0.817 3.127 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -2.309 2.972 2.570 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -1.539 1.993 1.299 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -3.312 2.028 1.444 1.00 0.00 H new ATOM 1308 N VAL A 93 -3.186 -2.255 -0.418 1.00 0.00 N ATOM 1309 CA VAL A 93 -3.155 -3.566 -1.057 1.00 0.00 C ATOM 1310 C VAL A 93 -1.761 -4.179 -0.986 1.00 0.00 C ATOM 1311 O VAL A 93 -0.820 -3.678 -1.602 1.00 0.00 O ATOM 1312 CB VAL A 93 -3.592 -3.482 -2.531 1.00 0.00 C ATOM 1313 CG1 VAL A 93 -3.879 -4.870 -3.083 1.00 0.00 C ATOM 1314 CG2 VAL A 93 -4.809 -2.580 -2.675 1.00 0.00 C ATOM 0 H VAL A 93 -2.771 -1.506 -0.972 1.00 0.00 H new ATOM 0 HA VAL A 93 -3.856 -4.200 -0.513 1.00 0.00 H new ATOM 0 HB VAL A 93 -2.776 -3.049 -3.110 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -4.186 -4.790 -4.126 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -2.979 -5.482 -3.016 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -4.677 -5.334 -2.504 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -5.104 -2.532 -3.723 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -5.632 -2.982 -2.084 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -4.564 -1.579 -2.321 1.00 0.00 H new ATOM 1324 N ILE A 94 -1.637 -5.266 -0.232 1.00 0.00 N ATOM 1325 CA ILE A 94 -0.358 -5.949 -0.082 1.00 0.00 C ATOM 1326 C ILE A 94 -0.416 -7.359 -0.660 1.00 0.00 C ATOM 1327 O ILE A 94 -1.474 -7.988 -0.683 1.00 0.00 O ATOM 1328 CB ILE A 94 0.067 -6.030 1.396 1.00 0.00 C ATOM 1329 CG1 ILE A 94 0.128 -4.629 2.010 1.00 0.00 C ATOM 1330 CG2 ILE A 94 1.413 -6.728 1.523 1.00 0.00 C ATOM 1331 CD1 ILE A 94 1.213 -3.757 1.418 1.00 0.00 C ATOM 0 H ILE A 94 -2.406 -5.693 0.284 1.00 0.00 H new ATOM 0 HA ILE A 94 0.378 -5.363 -0.632 1.00 0.00 H new ATOM 0 HB ILE A 94 -0.676 -6.613 1.940 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -0.836 -4.139 1.873 1.00 0.00 H new ATOM 0 HG13 ILE A 94 0.291 -4.719 3.084 1.00 0.00 H new ATOM 0 HG21 ILE A 94 1.700 -6.777 2.573 1.00 0.00 H new ATOM 0 HG22 ILE A 94 1.339 -7.738 1.119 1.00 0.00 H new ATOM 0 HG23 ILE A 94 2.166 -6.170 0.967 1.00 0.00 H new ATOM 0 HD11 ILE A 94 1.198 -2.780 1.900 1.00 0.00 H new ATOM 0 HD12 ILE A 94 2.184 -4.225 1.578 1.00 0.00 H new ATOM 0 HD13 ILE A 94 1.040 -3.637 0.349 1.00 0.00 H new ATOM 1343 N ARG A 95 0.728 -7.849 -1.125 1.00 0.00 N ATOM 1344 CA ARG A 95 0.807 -9.185 -1.703 1.00 0.00 C ATOM 1345 C ARG A 95 2.066 -9.908 -1.233 1.00 0.00 C ATOM 1346 O ARG A 95 3.173 -9.601 -1.677 1.00 0.00 O ATOM 1347 CB ARG A 95 0.794 -9.105 -3.231 1.00 0.00 C ATOM 1348 CG ARG A 95 1.251 -10.384 -3.912 1.00 0.00 C ATOM 1349 CD ARG A 95 1.505 -10.166 -5.396 1.00 0.00 C ATOM 1350 NE ARG A 95 1.714 -11.424 -6.106 1.00 0.00 N ATOM 1351 CZ ARG A 95 2.811 -12.163 -5.985 1.00 0.00 C ATOM 1352 NH1 ARG A 95 3.793 -11.772 -5.184 1.00 0.00 N ATOM 1353 NH2 ARG A 95 2.928 -13.296 -6.665 1.00 0.00 N ATOM 0 H ARG A 95 1.613 -7.341 -1.113 1.00 0.00 H new ATOM 0 HA ARG A 95 -0.063 -9.750 -1.367 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -0.216 -8.866 -3.565 1.00 0.00 H new ATOM 0 HB3 ARG A 95 1.437 -8.284 -3.549 1.00 0.00 H new ATOM 0 HG2 ARG A 95 2.162 -10.746 -3.435 1.00 0.00 H new ATOM 0 HG3 ARG A 95 0.494 -11.157 -3.781 1.00 0.00 H new ATOM 0 HD2 ARG A 95 0.658 -9.638 -5.835 1.00 0.00 H new ATOM 0 HD3 ARG A 95 2.379 -9.528 -5.524 1.00 0.00 H new ATOM 0 HE ARG A 95 0.977 -11.754 -6.729 1.00 0.00 H new ATOM 0 HH11 ARG A 95 3.707 -10.902 -4.659 1.00 0.00 H new ATOM 0 HH12 ARG A 95 4.634 -12.342 -5.093 1.00 0.00 H new ATOM 0 HH21 ARG A 95 2.175 -13.601 -7.282 1.00 0.00 H new ATOM 0 HH22 ARG A 95 3.771 -13.862 -6.571 1.00 0.00 H new ATOM 1367 N ARG A 96 1.889 -10.867 -0.331 1.00 0.00 N ATOM 1368 CA ARG A 96 3.011 -11.632 0.202 1.00 0.00 C ATOM 1369 C ARG A 96 3.894 -12.158 -0.926 1.00 0.00 C ATOM 1370 O ARG A 96 3.538 -13.094 -1.642 1.00 0.00 O ATOM 1371 CB ARG A 96 2.503 -12.798 1.052 1.00 0.00 C ATOM 1372 CG ARG A 96 3.514 -13.291 2.074 1.00 0.00 C ATOM 1373 CD ARG A 96 2.918 -14.361 2.976 1.00 0.00 C ATOM 1374 NE ARG A 96 1.836 -13.836 3.806 1.00 0.00 N ATOM 1375 CZ ARG A 96 1.315 -14.493 4.836 1.00 0.00 C ATOM 1376 NH1 ARG A 96 1.774 -15.694 5.161 1.00 0.00 N ATOM 1377 NH2 ARG A 96 0.333 -13.950 5.543 1.00 0.00 N ATOM 0 H ARG A 96 0.980 -11.133 0.047 1.00 0.00 H new ATOM 0 HA ARG A 96 3.607 -10.968 0.828 1.00 0.00 H new ATOM 0 HB2 ARG A 96 1.595 -12.490 1.571 1.00 0.00 H new ATOM 0 HB3 ARG A 96 2.230 -13.624 0.395 1.00 0.00 H new ATOM 0 HG2 ARG A 96 4.387 -13.692 1.559 1.00 0.00 H new ATOM 0 HG3 ARG A 96 3.858 -12.453 2.680 1.00 0.00 H new ATOM 0 HD2 ARG A 96 2.541 -15.181 2.365 1.00 0.00 H new ATOM 0 HD3 ARG A 96 3.699 -14.772 3.616 1.00 0.00 H new ATOM 0 HE ARG A 96 1.460 -12.915 3.582 1.00 0.00 H new ATOM 0 HH11 ARG A 96 2.529 -16.115 4.620 1.00 0.00 H new ATOM 0 HH12 ARG A 96 1.372 -16.197 5.952 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -0.023 -13.027 5.296 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -0.066 -14.456 6.334 1.00 0.00 H new ATOM 1391 N PRO A 97 5.075 -11.542 -1.089 1.00 0.00 N ATOM 1392 CA PRO A 97 6.034 -11.932 -2.127 1.00 0.00 C ATOM 1393 C PRO A 97 6.669 -13.290 -1.850 1.00 0.00 C ATOM 1394 O PRO A 97 6.362 -13.937 -0.848 1.00 0.00 O ATOM 1395 CB PRO A 97 7.090 -10.825 -2.068 1.00 0.00 C ATOM 1396 CG PRO A 97 7.008 -10.298 -0.677 1.00 0.00 C ATOM 1397 CD PRO A 97 5.565 -10.420 -0.272 1.00 0.00 C ATOM 0 HA PRO A 97 5.559 -12.035 -3.103 1.00 0.00 H new ATOM 0 HB2 PRO A 97 8.084 -11.214 -2.286 1.00 0.00 H new ATOM 0 HB3 PRO A 97 6.886 -10.044 -2.800 1.00 0.00 H new ATOM 0 HG2 PRO A 97 7.651 -10.867 -0.006 1.00 0.00 H new ATOM 0 HG3 PRO A 97 7.339 -9.261 -0.633 1.00 0.00 H new ATOM 0 HD2 PRO A 97 5.463 -10.624 0.794 1.00 0.00 H new ATOM 0 HD3 PRO A 97 5.012 -9.503 -0.475 1.00 0.00 H new ATOM 1405 N LEU A 98 7.555 -13.716 -2.743 1.00 0.00 N ATOM 1406 CA LEU A 98 8.235 -14.999 -2.594 1.00 0.00 C ATOM 1407 C LEU A 98 9.283 -14.934 -1.488 1.00 0.00 C ATOM 1408 O LEU A 98 9.769 -13.858 -1.141 1.00 0.00 O ATOM 1409 CB LEU A 98 8.894 -15.405 -3.914 1.00 0.00 C ATOM 1410 CG LEU A 98 7.988 -16.101 -4.930 1.00 0.00 C ATOM 1411 CD1 LEU A 98 7.498 -17.433 -4.385 1.00 0.00 C ATOM 1412 CD2 LEU A 98 6.812 -15.207 -5.296 1.00 0.00 C ATOM 0 H LEU A 98 7.820 -13.193 -3.578 1.00 0.00 H new ATOM 0 HA LEU A 98 7.491 -15.748 -2.321 1.00 0.00 H new ATOM 0 HB2 LEU A 98 9.309 -14.511 -4.380 1.00 0.00 H new ATOM 0 HB3 LEU A 98 9.731 -16.066 -3.691 1.00 0.00 H new ATOM 0 HG LEU A 98 8.568 -16.293 -5.833 1.00 0.00 H new ATOM 0 HD11 LEU A 98 6.855 -17.913 -5.122 1.00 0.00 H new ATOM 0 HD12 LEU A 98 8.352 -18.076 -4.175 1.00 0.00 H new ATOM 0 HD13 LEU A 98 6.935 -17.266 -3.467 1.00 0.00 H new ATOM 0 HD21 LEU A 98 6.178 -15.718 -6.020 1.00 0.00 H new ATOM 0 HD22 LEU A 98 6.233 -14.983 -4.400 1.00 0.00 H new ATOM 0 HD23 LEU A 98 7.182 -14.278 -5.730 1.00 0.00 H new ATOM 1424 N SER A 99 9.628 -16.094 -0.938 1.00 0.00 N ATOM 1425 CA SER A 99 10.617 -16.170 0.130 1.00 0.00 C ATOM 1426 C SER A 99 11.642 -17.263 -0.155 1.00 0.00 C ATOM 1427 O SER A 99 11.296 -18.349 -0.618 1.00 0.00 O ATOM 1428 CB SER A 99 9.931 -16.436 1.471 1.00 0.00 C ATOM 1429 OG SER A 99 10.871 -16.828 2.456 1.00 0.00 O ATOM 0 H SER A 99 9.237 -16.994 -1.215 1.00 0.00 H new ATOM 0 HA SER A 99 11.136 -15.213 0.179 1.00 0.00 H new ATOM 0 HB2 SER A 99 9.408 -15.538 1.800 1.00 0.00 H new ATOM 0 HB3 SER A 99 9.180 -17.216 1.350 1.00 0.00 H new ATOM 0 HG SER A 99 10.408 -16.990 3.304 1.00 0.00 H new ATOM 1435 N GLY A 100 12.908 -16.967 0.124 1.00 0.00 N ATOM 1436 CA GLY A 100 13.965 -17.933 -0.108 1.00 0.00 C ATOM 1437 C GLY A 100 14.660 -18.352 1.172 1.00 0.00 C ATOM 1438 O GLY A 100 14.816 -17.564 2.105 1.00 0.00 O ATOM 0 H GLY A 100 13.220 -16.075 0.507 1.00 0.00 H new ATOM 0 HA2 GLY A 100 13.547 -18.814 -0.596 1.00 0.00 H new ATOM 0 HA3 GLY A 100 14.698 -17.507 -0.793 1.00 0.00 H new ATOM 1442 N PRO A 101 15.091 -19.621 1.229 1.00 0.00 N ATOM 1443 CA PRO A 101 15.779 -20.171 2.400 1.00 0.00 C ATOM 1444 C PRO A 101 17.176 -19.586 2.580 1.00 0.00 C ATOM 1445 O PRO A 101 17.839 -19.836 3.587 1.00 0.00 O ATOM 1446 CB PRO A 101 15.863 -21.668 2.091 1.00 0.00 C ATOM 1447 CG PRO A 101 15.815 -21.752 0.605 1.00 0.00 C ATOM 1448 CD PRO A 101 14.940 -20.615 0.154 1.00 0.00 C ATOM 0 HA PRO A 101 15.253 -19.941 3.327 1.00 0.00 H new ATOM 0 HB2 PRO A 101 16.783 -22.102 2.482 1.00 0.00 H new ATOM 0 HB3 PRO A 101 15.035 -22.213 2.545 1.00 0.00 H new ATOM 0 HG2 PRO A 101 16.814 -21.669 0.177 1.00 0.00 H new ATOM 0 HG3 PRO A 101 15.408 -22.710 0.281 1.00 0.00 H new ATOM 0 HD2 PRO A 101 15.262 -20.218 -0.809 1.00 0.00 H new ATOM 0 HD3 PRO A 101 13.902 -20.928 0.039 1.00 0.00 H new ATOM 1456 N SER A 102 17.617 -18.807 1.598 1.00 0.00 N ATOM 1457 CA SER A 102 18.937 -18.188 1.647 1.00 0.00 C ATOM 1458 C SER A 102 18.950 -17.012 2.619 1.00 0.00 C ATOM 1459 O SER A 102 17.985 -16.253 2.705 1.00 0.00 O ATOM 1460 CB SER A 102 19.354 -17.717 0.252 1.00 0.00 C ATOM 1461 OG SER A 102 18.471 -16.722 -0.236 1.00 0.00 O ATOM 0 H SER A 102 17.080 -18.589 0.759 1.00 0.00 H new ATOM 0 HA SER A 102 19.649 -18.935 1.999 1.00 0.00 H new ATOM 0 HB2 SER A 102 20.369 -17.321 0.287 1.00 0.00 H new ATOM 0 HB3 SER A 102 19.366 -18.565 -0.433 1.00 0.00 H new ATOM 0 HG SER A 102 18.760 -16.437 -1.128 1.00 0.00 H new ATOM 1467 N SER A 103 20.052 -16.869 3.349 1.00 0.00 N ATOM 1468 CA SER A 103 20.191 -15.788 4.318 1.00 0.00 C ATOM 1469 C SER A 103 21.368 -14.886 3.960 1.00 0.00 C ATOM 1470 O SER A 103 22.515 -15.182 4.292 1.00 0.00 O ATOM 1471 CB SER A 103 20.380 -16.358 5.725 1.00 0.00 C ATOM 1472 OG SER A 103 19.277 -17.164 6.101 1.00 0.00 O ATOM 0 H SER A 103 20.861 -17.488 3.288 1.00 0.00 H new ATOM 0 HA SER A 103 19.279 -15.192 4.294 1.00 0.00 H new ATOM 0 HB2 SER A 103 21.295 -16.949 5.762 1.00 0.00 H new ATOM 0 HB3 SER A 103 20.498 -15.542 6.438 1.00 0.00 H new ATOM 0 HG SER A 103 19.423 -17.518 7.003 1.00 0.00 H new ATOM 1478 N GLY A 104 21.074 -13.782 3.280 1.00 0.00 N ATOM 1479 CA GLY A 104 22.117 -12.853 2.887 1.00 0.00 C ATOM 1480 C GLY A 104 21.678 -11.406 3.000 1.00 0.00 C ATOM 1481 O GLY A 104 22.154 -10.672 3.865 1.00 0.00 O ATOM 0 H GLY A 104 20.132 -13.515 2.994 1.00 0.00 H new ATOM 0 HA2 GLY A 104 22.996 -13.013 3.512 1.00 0.00 H new ATOM 0 HA3 GLY A 104 22.415 -13.060 1.859 1.00 0.00 H new TER 1485 GLY A 104