USER MOD reduce.3.24.130724 H: found=0, std=0, add=801, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 798 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 66:sc= 0.582 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 19 GLN : amide:sc= 0 X(o=0,f=-0.2) USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 180:sc= -0.142 USER MOD Single : A 37 GLN : amide:sc= 0 K(o=0,f=-0.91) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 ASN : amide:sc= -5.16! C(o=-5.2!,f=-4.2!) USER MOD Single : A 48 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00363) USER MOD Single : A 49 SER OG : rot 50:sc= 0.355 USER MOD Single : A 50 ASN : amide:sc= -0.946 K(o=-0.95,f=-7.7!) USER MOD Single : A 55 GLN : amide:sc= -0.0216 K(o=-0.022,f=-0.71) USER MOD Single : A 63 TYR OH : rot -150:sc= 0.802 USER MOD Single : A 67 GLN : amide:sc= -2.88! C(o=-2.9!,f=-11!) USER MOD Single : A 68 LYS NZ :NH3+ -156:sc= -0.151 (180deg=-0.901) USER MOD Single : A 71 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 72 HIS : no HE2:sc= -5.72! C(o=-5.7!,f=-6!) USER MOD Single : A 77 HIS : no HE2:sc= -1.42! X(o=-1.4!,f=-1.1) USER MOD Single : A 80 LYS NZ :NH3+ -129:sc= -0.0889 (180deg=-1.2) USER MOD Single : A 81 HIS : no HD1:sc= -4.63! C(o=-4.6!,f=-7.9!) USER MOD Single : A 82 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 84 SER OG : rot 107:sc= 0.452 USER MOD Single : A 91 SER OG : rot -100:sc= 1.35 USER MOD Single : A 92 CYS SG : rot 180:sc= -1.51 USER MOD Single : A 96 GLN : amide:sc= -1.66 K(o=-1.7,f=-5.9!) USER MOD Single : A 98 SER OG : rot 180:sc= -1.21 USER MOD Single : A 102 THR OG1 : rot 180:sc= 0 USER MOD Single : A 104 GLN : amide:sc= -1.02 K(o=-1,f=-5.2!) USER MOD Single : A 106 SER OG : rot -129:sc= 0.266 USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -27.381 17.990 14.053 1.00 0.00 N ATOM 2 CA GLY A 1 -28.388 17.903 13.013 1.00 0.00 C ATOM 3 C GLY A 1 -28.802 16.474 12.724 1.00 0.00 C ATOM 4 O GLY A 1 -29.226 15.749 13.625 1.00 0.00 O ATOM 0 H1 GLY A 1 -27.132 18.987 14.213 1.00 0.00 H new ATOM 0 H2 GLY A 1 -27.755 17.581 14.933 1.00 0.00 H new ATOM 0 H3 GLY A 1 -26.533 17.464 13.760 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -29.264 18.478 13.311 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -28.003 18.358 12.100 1.00 0.00 H new ATOM 8 N SER A 2 -28.681 16.067 11.465 1.00 0.00 N ATOM 9 CA SER A 2 -29.051 14.716 11.059 1.00 0.00 C ATOM 10 C SER A 2 -27.944 13.723 11.402 1.00 0.00 C ATOM 11 O SER A 2 -26.945 13.621 10.692 1.00 0.00 O ATOM 12 CB SER A 2 -29.342 14.673 9.558 1.00 0.00 C ATOM 13 OG SER A 2 -30.698 14.990 9.292 1.00 0.00 O ATOM 0 H SER A 2 -28.330 16.653 10.708 1.00 0.00 H new ATOM 0 HA SER A 2 -29.951 14.433 11.605 1.00 0.00 H new ATOM 0 HB2 SER A 2 -28.692 15.377 9.038 1.00 0.00 H new ATOM 0 HB3 SER A 2 -29.114 13.681 9.168 1.00 0.00 H new ATOM 0 HG SER A 2 -30.858 14.957 8.326 1.00 0.00 H new ATOM 19 N SER A 3 -28.131 12.993 12.497 1.00 0.00 N ATOM 20 CA SER A 3 -27.148 12.011 12.939 1.00 0.00 C ATOM 21 C SER A 3 -27.579 10.599 12.552 1.00 0.00 C ATOM 22 O SER A 3 -27.451 9.662 13.338 1.00 0.00 O ATOM 23 CB SER A 3 -26.952 12.099 14.453 1.00 0.00 C ATOM 24 OG SER A 3 -28.021 11.476 15.144 1.00 0.00 O ATOM 0 H SER A 3 -28.955 13.063 13.095 1.00 0.00 H new ATOM 0 HA SER A 3 -26.202 12.233 12.444 1.00 0.00 H new ATOM 0 HB2 SER A 3 -26.011 11.624 14.729 1.00 0.00 H new ATOM 0 HB3 SER A 3 -26.881 13.144 14.753 1.00 0.00 H new ATOM 0 HG SER A 3 -28.010 10.513 14.963 1.00 0.00 H new ATOM 30 N GLY A 4 -28.092 10.457 11.333 1.00 0.00 N ATOM 31 CA GLY A 4 -28.535 9.157 10.862 1.00 0.00 C ATOM 32 C GLY A 4 -27.777 8.698 9.632 1.00 0.00 C ATOM 33 O GLY A 4 -28.346 8.602 8.545 1.00 0.00 O ATOM 0 H GLY A 4 -28.209 11.218 10.664 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -28.409 8.423 11.658 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -29.600 9.200 10.634 1.00 0.00 H new ATOM 37 N SER A 5 -26.490 8.414 9.803 1.00 0.00 N ATOM 38 CA SER A 5 -25.652 7.968 8.697 1.00 0.00 C ATOM 39 C SER A 5 -24.756 6.810 9.126 1.00 0.00 C ATOM 40 O SER A 5 -24.279 6.767 10.260 1.00 0.00 O ATOM 41 CB SER A 5 -24.796 9.124 8.178 1.00 0.00 C ATOM 42 OG SER A 5 -25.512 9.909 7.240 1.00 0.00 O ATOM 0 H SER A 5 -26.005 8.485 10.697 1.00 0.00 H new ATOM 0 HA SER A 5 -26.306 7.622 7.896 1.00 0.00 H new ATOM 0 HB2 SER A 5 -24.479 9.749 9.013 1.00 0.00 H new ATOM 0 HB3 SER A 5 -23.892 8.731 7.713 1.00 0.00 H new ATOM 0 HG SER A 5 -24.943 10.642 6.925 1.00 0.00 H new ATOM 48 N SER A 6 -24.532 5.872 8.212 1.00 0.00 N ATOM 49 CA SER A 6 -23.697 4.711 8.496 1.00 0.00 C ATOM 50 C SER A 6 -22.576 4.584 7.469 1.00 0.00 C ATOM 51 O SER A 6 -22.764 4.017 6.394 1.00 0.00 O ATOM 52 CB SER A 6 -24.544 3.437 8.503 1.00 0.00 C ATOM 53 OG SER A 6 -23.777 2.317 8.911 1.00 0.00 O ATOM 0 H SER A 6 -24.917 5.893 7.268 1.00 0.00 H new ATOM 0 HA SER A 6 -23.250 4.848 9.481 1.00 0.00 H new ATOM 0 HB2 SER A 6 -25.393 3.565 9.175 1.00 0.00 H new ATOM 0 HB3 SER A 6 -24.950 3.261 7.507 1.00 0.00 H new ATOM 0 HG SER A 6 -24.341 1.516 8.909 1.00 0.00 H new ATOM 59 N GLY A 7 -21.406 5.117 7.811 1.00 0.00 N ATOM 60 CA GLY A 7 -20.271 5.054 6.909 1.00 0.00 C ATOM 61 C GLY A 7 -19.206 4.085 7.385 1.00 0.00 C ATOM 62 O GLY A 7 -18.152 4.497 7.870 1.00 0.00 O ATOM 0 H GLY A 7 -21.225 5.591 8.696 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -20.614 4.755 5.919 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -19.835 6.048 6.808 1.00 0.00 H new ATOM 66 N THR A 8 -19.482 2.792 7.247 1.00 0.00 N ATOM 67 CA THR A 8 -18.541 1.761 7.669 1.00 0.00 C ATOM 68 C THR A 8 -18.692 0.501 6.824 1.00 0.00 C ATOM 69 O THR A 8 -19.663 0.351 6.085 1.00 0.00 O ATOM 70 CB THR A 8 -18.735 1.397 9.153 1.00 0.00 C ATOM 71 OG1 THR A 8 -20.027 0.812 9.349 1.00 0.00 O ATOM 72 CG2 THR A 8 -18.590 2.628 10.035 1.00 0.00 C ATOM 0 H THR A 8 -20.349 2.434 6.847 1.00 0.00 H new ATOM 0 HA THR A 8 -17.540 2.170 7.531 1.00 0.00 H new ATOM 0 HB THR A 8 -17.965 0.677 9.432 1.00 0.00 H new ATOM 0 HG1 THR A 8 -20.142 0.582 10.295 1.00 0.00 H new ATOM 0 HG21 THR A 8 -18.731 2.347 11.079 1.00 0.00 H new ATOM 0 HG22 THR A 8 -17.595 3.053 9.905 1.00 0.00 H new ATOM 0 HG23 THR A 8 -19.340 3.367 9.754 1.00 0.00 H new ATOM 80 N ALA A 9 -17.724 -0.402 6.940 1.00 0.00 N ATOM 81 CA ALA A 9 -17.750 -1.651 6.189 1.00 0.00 C ATOM 82 C ALA A 9 -17.133 -2.790 6.995 1.00 0.00 C ATOM 83 O ALA A 9 -16.713 -2.598 8.136 1.00 0.00 O ATOM 84 CB ALA A 9 -17.023 -1.485 4.863 1.00 0.00 C ATOM 0 H ALA A 9 -16.912 -0.292 7.547 1.00 0.00 H new ATOM 0 HA ALA A 9 -18.791 -1.905 5.990 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -17.050 -2.426 4.313 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -17.510 -0.707 4.276 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -15.987 -1.204 5.049 1.00 0.00 H new ATOM 90 N ARG A 10 -17.082 -3.974 6.393 1.00 0.00 N ATOM 91 CA ARG A 10 -16.518 -5.143 7.056 1.00 0.00 C ATOM 92 C ARG A 10 -15.423 -5.776 6.202 1.00 0.00 C ATOM 93 O ARG A 10 -15.432 -5.661 4.976 1.00 0.00 O ATOM 94 CB ARG A 10 -17.614 -6.171 7.344 1.00 0.00 C ATOM 95 CG ARG A 10 -17.397 -6.948 8.632 1.00 0.00 C ATOM 96 CD ARG A 10 -16.581 -8.209 8.391 1.00 0.00 C ATOM 97 NE ARG A 10 -16.930 -9.274 9.328 1.00 0.00 N ATOM 98 CZ ARG A 10 -18.020 -10.025 9.214 1.00 0.00 C ATOM 99 NH1 ARG A 10 -18.862 -9.829 8.209 1.00 0.00 N ATOM 100 NH2 ARG A 10 -18.269 -10.974 10.107 1.00 0.00 N ATOM 0 H ARG A 10 -17.424 -4.149 5.448 1.00 0.00 H new ATOM 0 HA ARG A 10 -16.078 -4.818 7.999 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -18.575 -5.660 7.396 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -17.670 -6.872 6.512 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -16.886 -6.316 9.358 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -18.361 -7.214 9.064 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -16.743 -8.556 7.371 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -15.520 -7.978 8.484 1.00 0.00 H new ATOM 0 HE ARG A 10 -16.303 -9.451 10.113 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -18.674 -9.100 7.521 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -19.698 -10.407 8.124 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -17.623 -11.127 10.882 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -19.106 -11.550 10.019 1.00 0.00 H new ATOM 114 N LEU A 11 -14.481 -6.445 6.858 1.00 0.00 N ATOM 115 CA LEU A 11 -13.378 -7.097 6.160 1.00 0.00 C ATOM 116 C LEU A 11 -13.752 -8.521 5.762 1.00 0.00 C ATOM 117 O LEU A 11 -14.388 -9.245 6.528 1.00 0.00 O ATOM 118 CB LEU A 11 -12.129 -7.113 7.042 1.00 0.00 C ATOM 119 CG LEU A 11 -10.829 -7.536 6.357 1.00 0.00 C ATOM 120 CD1 LEU A 11 -10.530 -6.630 5.172 1.00 0.00 C ATOM 121 CD2 LEU A 11 -9.674 -7.519 7.347 1.00 0.00 C ATOM 0 H LEU A 11 -14.459 -6.550 7.872 1.00 0.00 H new ATOM 0 HA LEU A 11 -13.168 -6.529 5.254 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -11.989 -6.115 7.457 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -12.310 -7.785 7.881 1.00 0.00 H new ATOM 0 HG LEU A 11 -10.951 -8.554 5.988 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -9.601 -6.946 4.697 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -11.345 -6.692 4.451 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -10.429 -5.601 5.517 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -8.757 -7.823 6.842 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -9.552 -6.512 7.746 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -9.884 -8.210 8.163 1.00 0.00 H new ATOM 133 N VAL A 12 -13.350 -8.919 4.559 1.00 0.00 N ATOM 134 CA VAL A 12 -13.639 -10.258 4.060 1.00 0.00 C ATOM 135 C VAL A 12 -12.355 -11.006 3.718 1.00 0.00 C ATOM 136 O VAL A 12 -12.231 -12.201 3.985 1.00 0.00 O ATOM 137 CB VAL A 12 -14.540 -10.209 2.812 1.00 0.00 C ATOM 138 CG1 VAL A 12 -16.006 -10.303 3.208 1.00 0.00 C ATOM 139 CG2 VAL A 12 -14.275 -8.942 2.013 1.00 0.00 C ATOM 0 H VAL A 12 -12.823 -8.333 3.912 1.00 0.00 H new ATOM 0 HA VAL A 12 -14.163 -10.787 4.856 1.00 0.00 H new ATOM 0 HB VAL A 12 -14.303 -11.065 2.180 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -16.628 -10.267 2.313 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -16.181 -11.241 3.734 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -16.261 -9.468 3.861 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -14.920 -8.924 1.135 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -14.483 -8.070 2.634 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -13.232 -8.922 1.697 1.00 0.00 H new ATOM 149 N ALA A 13 -11.402 -10.294 3.125 1.00 0.00 N ATOM 150 CA ALA A 13 -10.126 -10.890 2.748 1.00 0.00 C ATOM 151 C ALA A 13 -8.962 -9.987 3.142 1.00 0.00 C ATOM 152 O ALA A 13 -8.333 -9.361 2.290 1.00 0.00 O ATOM 153 CB ALA A 13 -10.096 -11.171 1.254 1.00 0.00 C ATOM 0 H ALA A 13 -11.489 -9.304 2.895 1.00 0.00 H new ATOM 0 HA ALA A 13 -10.020 -11.832 3.286 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -9.137 -11.616 0.987 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -10.900 -11.860 0.997 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -10.229 -10.238 0.706 1.00 0.00 H new ATOM 159 N GLY A 14 -8.680 -9.925 4.440 1.00 0.00 N ATOM 160 CA GLY A 14 -7.591 -9.096 4.924 1.00 0.00 C ATOM 161 C GLY A 14 -6.363 -9.178 4.039 1.00 0.00 C ATOM 162 O GLY A 14 -6.218 -10.112 3.250 1.00 0.00 O ATOM 0 H GLY A 14 -9.186 -10.434 5.165 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -7.925 -8.060 4.982 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -7.327 -9.403 5.936 1.00 0.00 H new ATOM 166 N LEU A 15 -5.476 -8.198 4.170 1.00 0.00 N ATOM 167 CA LEU A 15 -4.253 -8.161 3.374 1.00 0.00 C ATOM 168 C LEU A 15 -3.488 -9.475 3.492 1.00 0.00 C ATOM 169 O LEU A 15 -3.727 -10.264 4.406 1.00 0.00 O ATOM 170 CB LEU A 15 -3.365 -6.999 3.821 1.00 0.00 C ATOM 171 CG LEU A 15 -3.889 -5.596 3.509 1.00 0.00 C ATOM 172 CD1 LEU A 15 -3.406 -4.602 4.554 1.00 0.00 C ATOM 173 CD2 LEU A 15 -3.455 -5.162 2.117 1.00 0.00 C ATOM 0 H LEU A 15 -5.580 -7.418 4.819 1.00 0.00 H new ATOM 0 HA LEU A 15 -4.532 -8.016 2.330 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -3.213 -7.077 4.897 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -2.388 -7.113 3.352 1.00 0.00 H new ATOM 0 HG LEU A 15 -4.978 -5.621 3.537 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -3.788 -3.609 4.316 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -3.767 -4.904 5.537 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -2.316 -4.580 4.559 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -3.837 -4.162 1.912 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -2.366 -5.153 2.061 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -3.850 -5.859 1.379 1.00 0.00 H new ATOM 185 N GLU A 16 -2.565 -9.702 2.563 1.00 0.00 N ATOM 186 CA GLU A 16 -1.763 -10.920 2.565 1.00 0.00 C ATOM 187 C GLU A 16 -0.273 -10.591 2.563 1.00 0.00 C ATOM 188 O GLU A 16 0.138 -9.527 2.099 1.00 0.00 O ATOM 189 CB GLU A 16 -2.107 -11.785 1.350 1.00 0.00 C ATOM 190 CG GLU A 16 -3.575 -12.170 1.274 1.00 0.00 C ATOM 191 CD GLU A 16 -3.950 -13.245 2.276 1.00 0.00 C ATOM 192 OE1 GLU A 16 -4.151 -12.905 3.461 1.00 0.00 O ATOM 193 OE2 GLU A 16 -4.041 -14.424 1.876 1.00 0.00 O ATOM 0 H GLU A 16 -2.354 -9.059 1.800 1.00 0.00 H new ATOM 0 HA GLU A 16 -1.993 -11.475 3.475 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -1.834 -11.247 0.442 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -1.503 -12.692 1.377 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -4.188 -11.286 1.449 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -3.803 -12.521 0.268 1.00 0.00 H new ATOM 200 N ASP A 17 0.530 -11.511 3.084 1.00 0.00 N ATOM 201 CA ASP A 17 1.975 -11.320 3.143 1.00 0.00 C ATOM 202 C ASP A 17 2.570 -11.239 1.740 1.00 0.00 C ATOM 203 O ASP A 17 2.206 -12.013 0.855 1.00 0.00 O ATOM 204 CB ASP A 17 2.631 -12.461 3.923 1.00 0.00 C ATOM 205 CG ASP A 17 2.187 -13.826 3.434 1.00 0.00 C ATOM 206 OD1 ASP A 17 2.808 -14.346 2.484 1.00 0.00 O ATOM 207 OD2 ASP A 17 1.219 -14.374 4.002 1.00 0.00 O ATOM 0 H ASP A 17 0.206 -12.397 3.472 1.00 0.00 H new ATOM 0 HA ASP A 17 2.171 -10.379 3.657 1.00 0.00 H new ATOM 0 HB2 ASP A 17 3.715 -12.381 3.835 1.00 0.00 H new ATOM 0 HB3 ASP A 17 2.389 -12.361 4.981 1.00 0.00 H new ATOM 212 N VAL A 18 3.486 -10.296 1.545 1.00 0.00 N ATOM 213 CA VAL A 18 4.131 -10.113 0.251 1.00 0.00 C ATOM 214 C VAL A 18 5.633 -9.905 0.410 1.00 0.00 C ATOM 215 O VAL A 18 6.073 -9.052 1.179 1.00 0.00 O ATOM 216 CB VAL A 18 3.535 -8.912 -0.509 1.00 0.00 C ATOM 217 CG1 VAL A 18 4.394 -8.563 -1.714 1.00 0.00 C ATOM 218 CG2 VAL A 18 2.104 -9.206 -0.931 1.00 0.00 C ATOM 0 H VAL A 18 3.798 -9.647 2.267 1.00 0.00 H new ATOM 0 HA VAL A 18 3.952 -11.022 -0.323 1.00 0.00 H new ATOM 0 HB VAL A 18 3.523 -8.051 0.159 1.00 0.00 H new ATOM 0 HG11 VAL A 18 3.957 -7.713 -2.238 1.00 0.00 H new ATOM 0 HG12 VAL A 18 5.400 -8.307 -1.382 1.00 0.00 H new ATOM 0 HG13 VAL A 18 4.441 -9.419 -2.387 1.00 0.00 H new ATOM 0 HG21 VAL A 18 1.699 -8.347 -1.466 1.00 0.00 H new ATOM 0 HG22 VAL A 18 2.089 -10.080 -1.582 1.00 0.00 H new ATOM 0 HG23 VAL A 18 1.497 -9.402 -0.047 1.00 0.00 H new ATOM 228 N GLN A 19 6.414 -10.691 -0.324 1.00 0.00 N ATOM 229 CA GLN A 19 7.868 -10.593 -0.264 1.00 0.00 C ATOM 230 C GLN A 19 8.468 -10.530 -1.665 1.00 0.00 C ATOM 231 O GLN A 19 8.217 -11.401 -2.498 1.00 0.00 O ATOM 232 CB GLN A 19 8.449 -11.784 0.500 1.00 0.00 C ATOM 233 CG GLN A 19 8.616 -13.031 -0.353 1.00 0.00 C ATOM 234 CD GLN A 19 9.083 -14.229 0.450 1.00 0.00 C ATOM 235 OE1 GLN A 19 8.550 -14.519 1.522 1.00 0.00 O ATOM 236 NE2 GLN A 19 10.083 -14.934 -0.065 1.00 0.00 N ATOM 0 H GLN A 19 6.065 -11.402 -0.967 1.00 0.00 H new ATOM 0 HA GLN A 19 8.124 -9.673 0.262 1.00 0.00 H new ATOM 0 HB2 GLN A 19 9.418 -11.503 0.912 1.00 0.00 H new ATOM 0 HB3 GLN A 19 7.799 -12.016 1.344 1.00 0.00 H new ATOM 0 HG2 GLN A 19 7.667 -13.268 -0.833 1.00 0.00 H new ATOM 0 HG3 GLN A 19 9.334 -12.829 -1.148 1.00 0.00 H new ATOM 0 HE21 GLN A 19 10.495 -14.658 -0.956 1.00 0.00 H new ATOM 0 HE22 GLN A 19 10.439 -15.751 0.430 1.00 0.00 H new ATOM 245 N VAL A 20 9.261 -9.494 -1.917 1.00 0.00 N ATOM 246 CA VAL A 20 9.898 -9.318 -3.217 1.00 0.00 C ATOM 247 C VAL A 20 11.331 -8.822 -3.065 1.00 0.00 C ATOM 248 O VAL A 20 11.702 -8.274 -2.026 1.00 0.00 O ATOM 249 CB VAL A 20 9.114 -8.326 -4.096 1.00 0.00 C ATOM 250 CG1 VAL A 20 7.735 -8.878 -4.424 1.00 0.00 C ATOM 251 CG2 VAL A 20 9.006 -6.974 -3.407 1.00 0.00 C ATOM 0 H VAL A 20 9.478 -8.764 -1.239 1.00 0.00 H new ATOM 0 HA VAL A 20 9.904 -10.295 -3.701 1.00 0.00 H new ATOM 0 HB VAL A 20 9.656 -8.189 -5.032 1.00 0.00 H new ATOM 0 HG11 VAL A 20 7.196 -8.163 -5.046 1.00 0.00 H new ATOM 0 HG12 VAL A 20 7.839 -9.821 -4.961 1.00 0.00 H new ATOM 0 HG13 VAL A 20 7.181 -9.046 -3.500 1.00 0.00 H new ATOM 0 HG21 VAL A 20 8.449 -6.285 -4.042 1.00 0.00 H new ATOM 0 HG22 VAL A 20 8.487 -7.091 -2.456 1.00 0.00 H new ATOM 0 HG23 VAL A 20 10.005 -6.576 -3.229 1.00 0.00 H new ATOM 261 N TYR A 21 12.133 -9.017 -4.105 1.00 0.00 N ATOM 262 CA TYR A 21 13.527 -8.591 -4.087 1.00 0.00 C ATOM 263 C TYR A 21 13.642 -7.092 -4.343 1.00 0.00 C ATOM 264 O TYR A 21 12.707 -6.462 -4.837 1.00 0.00 O ATOM 265 CB TYR A 21 14.332 -9.362 -5.134 1.00 0.00 C ATOM 266 CG TYR A 21 14.831 -10.704 -4.648 1.00 0.00 C ATOM 267 CD1 TYR A 21 13.943 -11.691 -4.239 1.00 0.00 C ATOM 268 CD2 TYR A 21 16.191 -10.984 -4.595 1.00 0.00 C ATOM 269 CE1 TYR A 21 14.394 -12.918 -3.793 1.00 0.00 C ATOM 270 CE2 TYR A 21 16.651 -12.209 -4.152 1.00 0.00 C ATOM 271 CZ TYR A 21 15.749 -13.172 -3.751 1.00 0.00 C ATOM 272 OH TYR A 21 16.204 -14.393 -3.308 1.00 0.00 O ATOM 0 H TYR A 21 11.841 -9.468 -4.972 1.00 0.00 H new ATOM 0 HA TYR A 21 13.932 -8.804 -3.098 1.00 0.00 H new ATOM 0 HB2 TYR A 21 13.712 -9.513 -6.018 1.00 0.00 H new ATOM 0 HB3 TYR A 21 15.185 -8.757 -5.442 1.00 0.00 H new ATOM 0 HD1 TYR A 21 12.881 -11.495 -4.270 1.00 0.00 H new ATOM 0 HD2 TYR A 21 16.900 -10.231 -4.905 1.00 0.00 H new ATOM 0 HE1 TYR A 21 13.690 -13.674 -3.479 1.00 0.00 H new ATOM 0 HE2 TYR A 21 17.711 -12.411 -4.120 1.00 0.00 H new ATOM 0 HH TYR A 21 17.183 -14.409 -3.342 1.00 0.00 H new ATOM 282 N ASP A 22 14.796 -6.527 -4.005 1.00 0.00 N ATOM 283 CA ASP A 22 15.036 -5.102 -4.199 1.00 0.00 C ATOM 284 C ASP A 22 14.862 -4.717 -5.665 1.00 0.00 C ATOM 285 O ASP A 22 15.294 -5.439 -6.562 1.00 0.00 O ATOM 286 CB ASP A 22 16.441 -4.730 -3.724 1.00 0.00 C ATOM 287 CG ASP A 22 16.976 -3.489 -4.412 1.00 0.00 C ATOM 288 OD1 ASP A 22 17.172 -3.532 -5.644 1.00 0.00 O ATOM 289 OD2 ASP A 22 17.199 -2.475 -3.718 1.00 0.00 O ATOM 0 H ASP A 22 15.580 -7.034 -3.595 1.00 0.00 H new ATOM 0 HA ASP A 22 14.304 -4.551 -3.608 1.00 0.00 H new ATOM 0 HB2 ASP A 22 16.425 -4.566 -2.646 1.00 0.00 H new ATOM 0 HB3 ASP A 22 17.117 -5.565 -3.910 1.00 0.00 H new ATOM 294 N GLY A 23 14.226 -3.573 -5.900 1.00 0.00 N ATOM 295 CA GLY A 23 14.005 -3.113 -7.258 1.00 0.00 C ATOM 296 C GLY A 23 12.728 -3.667 -7.859 1.00 0.00 C ATOM 297 O GLY A 23 12.166 -3.083 -8.784 1.00 0.00 O ATOM 0 H GLY A 23 13.860 -2.957 -5.174 1.00 0.00 H new ATOM 0 HA2 GLY A 23 13.964 -2.024 -7.267 1.00 0.00 H new ATOM 0 HA3 GLY A 23 14.852 -3.405 -7.879 1.00 0.00 H new ATOM 301 N GLU A 24 12.272 -4.799 -7.332 1.00 0.00 N ATOM 302 CA GLU A 24 11.054 -5.433 -7.824 1.00 0.00 C ATOM 303 C GLU A 24 9.829 -4.584 -7.500 1.00 0.00 C ATOM 304 O GLU A 24 9.950 -3.468 -6.993 1.00 0.00 O ATOM 305 CB GLU A 24 10.897 -6.828 -7.216 1.00 0.00 C ATOM 306 CG GLU A 24 12.101 -7.728 -7.438 1.00 0.00 C ATOM 307 CD GLU A 24 12.539 -7.769 -8.889 1.00 0.00 C ATOM 308 OE1 GLU A 24 11.841 -8.410 -9.702 1.00 0.00 O ATOM 309 OE2 GLU A 24 13.581 -7.159 -9.211 1.00 0.00 O ATOM 0 H GLU A 24 12.727 -5.295 -6.566 1.00 0.00 H new ATOM 0 HA GLU A 24 11.135 -5.524 -8.907 1.00 0.00 H new ATOM 0 HB2 GLU A 24 10.720 -6.730 -6.145 1.00 0.00 H new ATOM 0 HB3 GLU A 24 10.014 -7.304 -7.643 1.00 0.00 H new ATOM 0 HG2 GLU A 24 12.930 -7.379 -6.822 1.00 0.00 H new ATOM 0 HG3 GLU A 24 11.861 -8.738 -7.106 1.00 0.00 H new ATOM 316 N ASP A 25 8.650 -5.119 -7.796 1.00 0.00 N ATOM 317 CA ASP A 25 7.402 -4.412 -7.536 1.00 0.00 C ATOM 318 C ASP A 25 6.502 -5.221 -6.606 1.00 0.00 C ATOM 319 O ASP A 25 5.982 -6.269 -6.987 1.00 0.00 O ATOM 320 CB ASP A 25 6.671 -4.123 -8.848 1.00 0.00 C ATOM 321 CG ASP A 25 7.594 -3.566 -9.914 1.00 0.00 C ATOM 322 OD1 ASP A 25 8.522 -2.810 -9.558 1.00 0.00 O ATOM 323 OD2 ASP A 25 7.389 -3.886 -11.104 1.00 0.00 O ATOM 0 H ASP A 25 8.532 -6.041 -8.217 1.00 0.00 H new ATOM 0 HA ASP A 25 7.644 -3.468 -7.048 1.00 0.00 H new ATOM 0 HB2 ASP A 25 6.210 -5.041 -9.214 1.00 0.00 H new ATOM 0 HB3 ASP A 25 5.865 -3.413 -8.663 1.00 0.00 H new ATOM 328 N ALA A 26 6.324 -4.727 -5.385 1.00 0.00 N ATOM 329 CA ALA A 26 5.487 -5.403 -4.402 1.00 0.00 C ATOM 330 C ALA A 26 4.086 -4.804 -4.369 1.00 0.00 C ATOM 331 O ALA A 26 3.919 -3.596 -4.198 1.00 0.00 O ATOM 332 CB ALA A 26 6.128 -5.329 -3.024 1.00 0.00 C ATOM 0 H ALA A 26 6.748 -3.861 -5.053 1.00 0.00 H new ATOM 0 HA ALA A 26 5.399 -6.449 -4.694 1.00 0.00 H new ATOM 0 HB1 ALA A 26 5.492 -5.838 -2.299 1.00 0.00 H new ATOM 0 HB2 ALA A 26 7.105 -5.811 -3.051 1.00 0.00 H new ATOM 0 HB3 ALA A 26 6.246 -4.285 -2.733 1.00 0.00 H new ATOM 338 N VAL A 27 3.079 -5.656 -4.536 1.00 0.00 N ATOM 339 CA VAL A 27 1.691 -5.210 -4.525 1.00 0.00 C ATOM 340 C VAL A 27 0.858 -6.031 -3.547 1.00 0.00 C ATOM 341 O VAL A 27 1.128 -7.211 -3.322 1.00 0.00 O ATOM 342 CB VAL A 27 1.059 -5.307 -5.927 1.00 0.00 C ATOM 343 CG1 VAL A 27 1.709 -6.423 -6.730 1.00 0.00 C ATOM 344 CG2 VAL A 27 -0.443 -5.521 -5.820 1.00 0.00 C ATOM 0 H VAL A 27 3.199 -6.659 -4.680 1.00 0.00 H new ATOM 0 HA VAL A 27 1.696 -4.167 -4.208 1.00 0.00 H new ATOM 0 HB VAL A 27 1.233 -4.367 -6.451 1.00 0.00 H new ATOM 0 HG11 VAL A 27 1.250 -6.476 -7.717 1.00 0.00 H new ATOM 0 HG12 VAL A 27 2.775 -6.222 -6.836 1.00 0.00 H new ATOM 0 HG13 VAL A 27 1.569 -7.372 -6.213 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -0.873 -5.587 -6.819 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -0.641 -6.446 -5.278 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -0.893 -4.684 -5.286 1.00 0.00 H new ATOM 354 N PHE A 28 -0.158 -5.399 -2.968 1.00 0.00 N ATOM 355 CA PHE A 28 -1.031 -6.070 -2.013 1.00 0.00 C ATOM 356 C PHE A 28 -2.478 -6.062 -2.499 1.00 0.00 C ATOM 357 O PHE A 28 -2.807 -5.411 -3.490 1.00 0.00 O ATOM 358 CB PHE A 28 -0.939 -5.395 -0.643 1.00 0.00 C ATOM 359 CG PHE A 28 0.325 -5.718 0.101 1.00 0.00 C ATOM 360 CD1 PHE A 28 1.485 -4.996 -0.130 1.00 0.00 C ATOM 361 CD2 PHE A 28 0.354 -6.744 1.031 1.00 0.00 C ATOM 362 CE1 PHE A 28 2.650 -5.292 0.552 1.00 0.00 C ATOM 363 CE2 PHE A 28 1.516 -7.045 1.717 1.00 0.00 C ATOM 364 CZ PHE A 28 2.665 -6.317 1.478 1.00 0.00 C ATOM 0 H PHE A 28 -0.397 -4.423 -3.144 1.00 0.00 H new ATOM 0 HA PHE A 28 -0.701 -7.105 -1.924 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -1.008 -4.315 -0.774 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -1.794 -5.699 -0.039 1.00 0.00 H new ATOM 0 HD1 PHE A 28 1.479 -4.192 -0.852 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -0.542 -7.316 1.223 1.00 0.00 H new ATOM 0 HE1 PHE A 28 3.548 -4.723 0.361 1.00 0.00 H new ATOM 0 HE2 PHE A 28 1.525 -7.848 2.439 1.00 0.00 H new ATOM 0 HZ PHE A 28 3.574 -6.549 2.014 1.00 0.00 H new ATOM 374 N SER A 29 -3.337 -6.792 -1.795 1.00 0.00 N ATOM 375 CA SER A 29 -4.747 -6.874 -2.157 1.00 0.00 C ATOM 376 C SER A 29 -5.603 -7.198 -0.936 1.00 0.00 C ATOM 377 O SER A 29 -5.183 -7.941 -0.048 1.00 0.00 O ATOM 378 CB SER A 29 -4.957 -7.935 -3.238 1.00 0.00 C ATOM 379 OG SER A 29 -4.861 -9.241 -2.696 1.00 0.00 O ATOM 0 H SER A 29 -3.081 -7.335 -0.971 1.00 0.00 H new ATOM 0 HA SER A 29 -5.054 -5.904 -2.547 1.00 0.00 H new ATOM 0 HB2 SER A 29 -5.935 -7.800 -3.699 1.00 0.00 H new ATOM 0 HB3 SER A 29 -4.214 -7.809 -4.025 1.00 0.00 H new ATOM 0 HG SER A 29 -5.001 -9.901 -3.407 1.00 0.00 H new ATOM 385 N LEU A 30 -6.806 -6.635 -0.899 1.00 0.00 N ATOM 386 CA LEU A 30 -7.723 -6.863 0.212 1.00 0.00 C ATOM 387 C LEU A 30 -9.169 -6.648 -0.223 1.00 0.00 C ATOM 388 O LEU A 30 -9.465 -5.742 -1.002 1.00 0.00 O ATOM 389 CB LEU A 30 -7.385 -5.932 1.378 1.00 0.00 C ATOM 390 CG LEU A 30 -7.789 -4.468 1.206 1.00 0.00 C ATOM 391 CD1 LEU A 30 -9.198 -4.238 1.729 1.00 0.00 C ATOM 392 CD2 LEU A 30 -6.799 -3.555 1.914 1.00 0.00 C ATOM 0 H LEU A 30 -7.169 -6.018 -1.625 1.00 0.00 H new ATOM 0 HA LEU A 30 -7.611 -7.897 0.537 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -7.867 -6.318 2.276 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -6.309 -5.974 1.550 1.00 0.00 H new ATOM 0 HG LEU A 30 -7.775 -4.230 0.142 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -9.468 -3.190 1.598 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -9.898 -4.865 1.177 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -9.239 -4.494 2.788 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -7.102 -2.517 1.781 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -6.780 -3.794 2.977 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -5.805 -3.699 1.492 1.00 0.00 H new ATOM 404 N ASP A 31 -10.066 -7.485 0.287 1.00 0.00 N ATOM 405 CA ASP A 31 -11.482 -7.385 -0.046 1.00 0.00 C ATOM 406 C ASP A 31 -12.291 -6.911 1.158 1.00 0.00 C ATOM 407 O ASP A 31 -11.916 -7.154 2.306 1.00 0.00 O ATOM 408 CB ASP A 31 -12.011 -8.735 -0.532 1.00 0.00 C ATOM 409 CG ASP A 31 -11.356 -9.182 -1.824 1.00 0.00 C ATOM 410 OD1 ASP A 31 -11.310 -8.375 -2.776 1.00 0.00 O ATOM 411 OD2 ASP A 31 -10.890 -10.339 -1.883 1.00 0.00 O ATOM 0 H ASP A 31 -9.837 -8.241 0.933 1.00 0.00 H new ATOM 0 HA ASP A 31 -11.591 -6.652 -0.846 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -11.840 -9.487 0.238 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -13.089 -8.668 -0.679 1.00 0.00 H new ATOM 416 N LEU A 32 -13.401 -6.233 0.888 1.00 0.00 N ATOM 417 CA LEU A 32 -14.263 -5.724 1.949 1.00 0.00 C ATOM 418 C LEU A 32 -15.704 -6.180 1.746 1.00 0.00 C ATOM 419 O LEU A 32 -16.009 -6.902 0.796 1.00 0.00 O ATOM 420 CB LEU A 32 -14.201 -4.196 1.994 1.00 0.00 C ATOM 421 CG LEU A 32 -12.802 -3.580 1.973 1.00 0.00 C ATOM 422 CD1 LEU A 32 -12.878 -2.093 1.662 1.00 0.00 C ATOM 423 CD2 LEU A 32 -12.096 -3.814 3.300 1.00 0.00 C ATOM 0 H LEU A 32 -13.725 -6.023 -0.056 1.00 0.00 H new ATOM 0 HA LEU A 32 -13.905 -6.124 2.898 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -14.761 -3.805 1.145 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -14.711 -3.858 2.896 1.00 0.00 H new ATOM 0 HG LEU A 32 -12.224 -4.066 1.187 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -11.873 -1.672 1.651 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -13.342 -1.949 0.687 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -13.473 -1.592 2.425 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -11.102 -3.369 3.267 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -12.672 -3.356 4.104 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -12.008 -4.885 3.481 1.00 0.00 H new ATOM 435 N SER A 33 -16.587 -5.752 2.643 1.00 0.00 N ATOM 436 CA SER A 33 -17.996 -6.118 2.563 1.00 0.00 C ATOM 437 C SER A 33 -18.755 -5.161 1.649 1.00 0.00 C ATOM 438 O SER A 33 -19.689 -5.558 0.951 1.00 0.00 O ATOM 439 CB SER A 33 -18.625 -6.116 3.958 1.00 0.00 C ATOM 440 OG SER A 33 -19.988 -6.501 3.903 1.00 0.00 O ATOM 0 H SER A 33 -16.351 -5.152 3.433 1.00 0.00 H new ATOM 0 HA SER A 33 -18.062 -7.122 2.144 1.00 0.00 H new ATOM 0 HB2 SER A 33 -18.077 -6.798 4.608 1.00 0.00 H new ATOM 0 HB3 SER A 33 -18.542 -5.122 4.396 1.00 0.00 H new ATOM 0 HG SER A 33 -20.367 -6.493 4.807 1.00 0.00 H new ATOM 446 N THR A 34 -18.347 -3.896 1.658 1.00 0.00 N ATOM 447 CA THR A 34 -18.988 -2.881 0.832 1.00 0.00 C ATOM 448 C THR A 34 -18.006 -1.776 0.458 1.00 0.00 C ATOM 449 O THR A 34 -16.910 -1.692 1.014 1.00 0.00 O ATOM 450 CB THR A 34 -20.198 -2.254 1.549 1.00 0.00 C ATOM 451 OG1 THR A 34 -20.948 -1.449 0.633 1.00 0.00 O ATOM 452 CG2 THR A 34 -19.748 -1.404 2.728 1.00 0.00 C ATOM 0 H THR A 34 -17.575 -3.550 2.228 1.00 0.00 H new ATOM 0 HA THR A 34 -19.331 -3.382 -0.073 1.00 0.00 H new ATOM 0 HB THR A 34 -20.828 -3.061 1.923 1.00 0.00 H new ATOM 0 HG1 THR A 34 -21.716 -1.056 1.097 1.00 0.00 H new ATOM 0 HG21 THR A 34 -20.620 -0.972 3.219 1.00 0.00 H new ATOM 0 HG22 THR A 34 -19.203 -2.026 3.438 1.00 0.00 H new ATOM 0 HG23 THR A 34 -19.098 -0.604 2.373 1.00 0.00 H new ATOM 460 N ILE A 35 -18.405 -0.931 -0.486 1.00 0.00 N ATOM 461 CA ILE A 35 -17.560 0.170 -0.933 1.00 0.00 C ATOM 462 C ILE A 35 -17.407 1.223 0.159 1.00 0.00 C ATOM 463 O ILE A 35 -18.395 1.718 0.702 1.00 0.00 O ATOM 464 CB ILE A 35 -18.128 0.838 -2.199 1.00 0.00 C ATOM 465 CG1 ILE A 35 -18.519 -0.223 -3.230 1.00 0.00 C ATOM 466 CG2 ILE A 35 -17.113 1.807 -2.787 1.00 0.00 C ATOM 467 CD1 ILE A 35 -19.954 -0.685 -3.106 1.00 0.00 C ATOM 0 H ILE A 35 -19.308 -0.987 -0.956 1.00 0.00 H new ATOM 0 HA ILE A 35 -16.583 -0.255 -1.164 1.00 0.00 H new ATOM 0 HB ILE A 35 -19.022 1.399 -1.926 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -18.360 0.178 -4.231 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -17.858 -1.083 -3.123 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -17.529 2.271 -3.681 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -16.879 2.578 -2.053 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -16.203 1.267 -3.048 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -20.161 -1.436 -3.868 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -20.113 -1.116 -2.118 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -20.623 0.165 -3.243 1.00 0.00 H new ATOM 479 N ILE A 36 -16.162 1.563 0.476 1.00 0.00 N ATOM 480 CA ILE A 36 -15.879 2.560 1.501 1.00 0.00 C ATOM 481 C ILE A 36 -14.545 3.251 1.243 1.00 0.00 C ATOM 482 O ILE A 36 -13.656 2.687 0.605 1.00 0.00 O ATOM 483 CB ILE A 36 -15.855 1.931 2.906 1.00 0.00 C ATOM 484 CG1 ILE A 36 -15.849 3.023 3.978 1.00 0.00 C ATOM 485 CG2 ILE A 36 -14.644 1.023 3.060 1.00 0.00 C ATOM 486 CD1 ILE A 36 -16.094 2.500 5.376 1.00 0.00 C ATOM 0 H ILE A 36 -15.333 1.162 0.037 1.00 0.00 H new ATOM 0 HA ILE A 36 -16.681 3.296 1.455 1.00 0.00 H new ATOM 0 HB ILE A 36 -16.754 1.329 3.033 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -14.889 3.538 3.955 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -16.613 3.762 3.736 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -14.641 0.586 4.059 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -14.689 0.228 2.316 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -13.733 1.604 2.916 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -16.076 3.329 6.083 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -17.067 2.010 5.416 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -15.316 1.783 5.638 1.00 0.00 H new ATOM 498 N GLN A 37 -14.412 4.475 1.744 1.00 0.00 N ATOM 499 CA GLN A 37 -13.185 5.243 1.568 1.00 0.00 C ATOM 500 C GLN A 37 -12.277 5.104 2.786 1.00 0.00 C ATOM 501 O GLN A 37 -12.616 5.554 3.880 1.00 0.00 O ATOM 502 CB GLN A 37 -13.511 6.717 1.325 1.00 0.00 C ATOM 503 CG GLN A 37 -12.321 7.533 0.847 1.00 0.00 C ATOM 504 CD GLN A 37 -12.175 7.523 -0.662 1.00 0.00 C ATOM 505 OE1 GLN A 37 -12.683 6.630 -1.340 1.00 0.00 O ATOM 506 NE2 GLN A 37 -11.478 8.520 -1.196 1.00 0.00 N ATOM 0 H GLN A 37 -15.138 4.956 2.275 1.00 0.00 H new ATOM 0 HA GLN A 37 -12.660 4.847 0.699 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -14.309 6.787 0.586 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -13.893 7.153 2.248 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -12.429 8.562 1.191 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -11.410 7.140 1.299 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -11.074 9.239 -0.596 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -11.346 8.566 -2.206 1.00 0.00 H new ATOM 515 N GLY A 38 -11.121 4.478 2.588 1.00 0.00 N ATOM 516 CA GLY A 38 -10.182 4.291 3.679 1.00 0.00 C ATOM 517 C GLY A 38 -8.857 4.984 3.430 1.00 0.00 C ATOM 518 O GLY A 38 -8.750 5.837 2.548 1.00 0.00 O ATOM 0 H GLY A 38 -10.818 4.097 1.692 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -10.620 4.673 4.601 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -10.009 3.225 3.826 1.00 0.00 H new ATOM 522 N THR A 39 -7.844 4.619 4.209 1.00 0.00 N ATOM 523 CA THR A 39 -6.521 5.213 4.070 1.00 0.00 C ATOM 524 C THR A 39 -5.428 4.160 4.211 1.00 0.00 C ATOM 525 O THR A 39 -5.439 3.362 5.148 1.00 0.00 O ATOM 526 CB THR A 39 -6.289 6.320 5.116 1.00 0.00 C ATOM 527 OG1 THR A 39 -7.238 7.376 4.931 1.00 0.00 O ATOM 528 CG2 THR A 39 -4.877 6.876 5.012 1.00 0.00 C ATOM 0 H THR A 39 -7.915 3.914 4.943 1.00 0.00 H new ATOM 0 HA THR A 39 -6.474 5.650 3.073 1.00 0.00 H new ATOM 0 HB THR A 39 -6.419 5.885 6.107 1.00 0.00 H new ATOM 0 HG1 THR A 39 -7.085 8.075 5.601 1.00 0.00 H new ATOM 0 HG21 THR A 39 -4.737 7.656 5.760 1.00 0.00 H new ATOM 0 HG22 THR A 39 -4.157 6.076 5.183 1.00 0.00 H new ATOM 0 HG23 THR A 39 -4.723 7.295 4.018 1.00 0.00 H new ATOM 536 N TRP A 40 -4.486 4.163 3.275 1.00 0.00 N ATOM 537 CA TRP A 40 -3.384 3.207 3.296 1.00 0.00 C ATOM 538 C TRP A 40 -2.289 3.659 4.255 1.00 0.00 C ATOM 539 O TRP A 40 -2.135 4.852 4.519 1.00 0.00 O ATOM 540 CB TRP A 40 -2.807 3.032 1.890 1.00 0.00 C ATOM 541 CG TRP A 40 -3.607 2.099 1.032 1.00 0.00 C ATOM 542 CD1 TRP A 40 -4.581 2.440 0.137 1.00 0.00 C ATOM 543 CD2 TRP A 40 -3.503 0.671 0.990 1.00 0.00 C ATOM 544 NE1 TRP A 40 -5.088 1.310 -0.459 1.00 0.00 N ATOM 545 CE2 TRP A 40 -4.443 0.213 0.047 1.00 0.00 C ATOM 546 CE3 TRP A 40 -2.706 -0.263 1.656 1.00 0.00 C ATOM 547 CZ2 TRP A 40 -4.606 -1.139 -0.244 1.00 0.00 C ATOM 548 CZ3 TRP A 40 -2.869 -1.605 1.366 1.00 0.00 C ATOM 549 CH2 TRP A 40 -3.813 -2.032 0.423 1.00 0.00 C ATOM 0 H TRP A 40 -4.463 4.816 2.492 1.00 0.00 H new ATOM 0 HA TRP A 40 -3.773 2.250 3.644 1.00 0.00 H new ATOM 0 HB2 TRP A 40 -2.753 4.006 1.403 1.00 0.00 H new ATOM 0 HB3 TRP A 40 -1.786 2.658 1.968 1.00 0.00 H new ATOM 0 HD1 TRP A 40 -4.905 3.449 -0.072 1.00 0.00 H new ATOM 0 HE1 TRP A 40 -5.825 1.291 -1.164 1.00 0.00 H new ATOM 0 HE3 TRP A 40 -1.976 0.057 2.384 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 -5.333 -1.471 -0.971 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 -2.258 -2.336 1.875 1.00 0.00 H new ATOM 0 HH2 TRP A 40 -3.917 -3.087 0.219 1.00 0.00 H new ATOM 560 N PHE A 41 -1.530 2.700 4.775 1.00 0.00 N ATOM 561 CA PHE A 41 -0.449 3.001 5.706 1.00 0.00 C ATOM 562 C PHE A 41 0.828 2.264 5.313 1.00 0.00 C ATOM 563 O PHE A 41 0.787 1.105 4.898 1.00 0.00 O ATOM 564 CB PHE A 41 -0.854 2.618 7.131 1.00 0.00 C ATOM 565 CG PHE A 41 -1.555 3.721 7.872 1.00 0.00 C ATOM 566 CD1 PHE A 41 -2.832 4.115 7.508 1.00 0.00 C ATOM 567 CD2 PHE A 41 -0.936 4.363 8.932 1.00 0.00 C ATOM 568 CE1 PHE A 41 -3.479 5.130 8.187 1.00 0.00 C ATOM 569 CE2 PHE A 41 -1.578 5.379 9.615 1.00 0.00 C ATOM 570 CZ PHE A 41 -2.852 5.762 9.243 1.00 0.00 C ATOM 0 H PHE A 41 -1.644 1.708 4.567 1.00 0.00 H new ATOM 0 HA PHE A 41 -0.256 4.073 5.666 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -1.506 1.745 7.093 1.00 0.00 H new ATOM 0 HB3 PHE A 41 0.037 2.326 7.687 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -3.328 3.623 6.684 1.00 0.00 H new ATOM 0 HD2 PHE A 41 0.059 4.066 9.228 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -4.474 5.429 7.892 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -1.084 5.873 10.439 1.00 0.00 H new ATOM 0 HZ PHE A 41 -3.357 6.554 9.777 1.00 0.00 H new ATOM 580 N LEU A 42 1.961 2.944 5.446 1.00 0.00 N ATOM 581 CA LEU A 42 3.252 2.356 5.104 1.00 0.00 C ATOM 582 C LEU A 42 4.231 2.478 6.268 1.00 0.00 C ATOM 583 O LEU A 42 4.721 3.565 6.567 1.00 0.00 O ATOM 584 CB LEU A 42 3.831 3.034 3.862 1.00 0.00 C ATOM 585 CG LEU A 42 5.215 2.557 3.421 1.00 0.00 C ATOM 586 CD1 LEU A 42 5.259 1.039 3.350 1.00 0.00 C ATOM 587 CD2 LEU A 42 5.586 3.166 2.076 1.00 0.00 C ATOM 0 H LEU A 42 2.012 3.903 5.788 1.00 0.00 H new ATOM 0 HA LEU A 42 3.097 1.298 4.893 1.00 0.00 H new ATOM 0 HB2 LEU A 42 3.137 2.886 3.035 1.00 0.00 H new ATOM 0 HB3 LEU A 42 3.881 4.107 4.048 1.00 0.00 H new ATOM 0 HG LEU A 42 5.944 2.887 4.161 1.00 0.00 H new ATOM 0 HD11 LEU A 42 6.252 0.718 3.034 1.00 0.00 H new ATOM 0 HD12 LEU A 42 5.038 0.622 4.333 1.00 0.00 H new ATOM 0 HD13 LEU A 42 4.519 0.687 2.632 1.00 0.00 H new ATOM 0 HD21 LEU A 42 6.574 2.815 1.778 1.00 0.00 H new ATOM 0 HD22 LEU A 42 4.853 2.867 1.327 1.00 0.00 H new ATOM 0 HD23 LEU A 42 5.597 4.253 2.159 1.00 0.00 H new ATOM 599 N ASN A 43 4.512 1.353 6.918 1.00 0.00 N ATOM 600 CA ASN A 43 5.434 1.334 8.048 1.00 0.00 C ATOM 601 C ASN A 43 4.891 2.164 9.207 1.00 0.00 C ATOM 602 O ASN A 43 5.614 2.958 9.808 1.00 0.00 O ATOM 603 CB ASN A 43 6.805 1.865 7.623 1.00 0.00 C ATOM 604 CG ASN A 43 7.723 0.765 7.128 1.00 0.00 C ATOM 605 OD1 ASN A 43 8.062 -0.157 7.871 1.00 0.00 O ATOM 606 ND2 ASN A 43 8.131 0.856 5.868 1.00 0.00 N ATOM 0 H ASN A 43 4.115 0.444 6.682 1.00 0.00 H new ATOM 0 HA ASN A 43 5.539 0.302 8.382 1.00 0.00 H new ATOM 0 HB2 ASN A 43 6.676 2.608 6.836 1.00 0.00 H new ATOM 0 HB3 ASN A 43 7.273 2.372 8.467 1.00 0.00 H new ATOM 0 HD21 ASN A 43 8.750 0.145 5.480 1.00 0.00 H new ATOM 0 HD22 ASN A 43 7.825 1.637 5.288 1.00 0.00 H new ATOM 613 N GLY A 44 3.612 1.974 9.517 1.00 0.00 N ATOM 614 CA GLY A 44 2.995 2.711 10.603 1.00 0.00 C ATOM 615 C GLY A 44 2.731 4.160 10.244 1.00 0.00 C ATOM 616 O GLY A 44 2.133 4.900 11.024 1.00 0.00 O ATOM 0 H GLY A 44 2.993 1.323 9.035 1.00 0.00 H new ATOM 0 HA2 GLY A 44 2.055 2.231 10.876 1.00 0.00 H new ATOM 0 HA3 GLY A 44 3.641 2.669 11.480 1.00 0.00 H new ATOM 620 N GLU A 45 3.180 4.566 9.061 1.00 0.00 N ATOM 621 CA GLU A 45 2.991 5.937 8.603 1.00 0.00 C ATOM 622 C GLU A 45 1.808 6.032 7.644 1.00 0.00 C ATOM 623 O GLU A 45 1.412 5.042 7.031 1.00 0.00 O ATOM 624 CB GLU A 45 4.260 6.449 7.916 1.00 0.00 C ATOM 625 CG GLU A 45 3.991 7.466 6.820 1.00 0.00 C ATOM 626 CD GLU A 45 3.582 8.819 7.368 1.00 0.00 C ATOM 627 OE1 GLU A 45 3.782 9.056 8.577 1.00 0.00 O ATOM 628 OE2 GLU A 45 3.061 9.642 6.585 1.00 0.00 O ATOM 0 H GLU A 45 3.677 3.966 8.403 1.00 0.00 H new ATOM 0 HA GLU A 45 2.782 6.558 9.474 1.00 0.00 H new ATOM 0 HB2 GLU A 45 4.912 6.898 8.665 1.00 0.00 H new ATOM 0 HB3 GLU A 45 4.799 5.603 7.490 1.00 0.00 H new ATOM 0 HG2 GLU A 45 4.886 7.581 6.209 1.00 0.00 H new ATOM 0 HG3 GLU A 45 3.204 7.090 6.166 1.00 0.00 H new ATOM 635 N GLU A 46 1.248 7.232 7.521 1.00 0.00 N ATOM 636 CA GLU A 46 0.109 7.456 6.638 1.00 0.00 C ATOM 637 C GLU A 46 0.575 7.846 5.238 1.00 0.00 C ATOM 638 O GLU A 46 1.560 8.568 5.077 1.00 0.00 O ATOM 639 CB GLU A 46 -0.799 8.547 7.208 1.00 0.00 C ATOM 640 CG GLU A 46 -2.006 8.851 6.337 1.00 0.00 C ATOM 641 CD GLU A 46 -3.101 9.580 7.091 1.00 0.00 C ATOM 642 OE1 GLU A 46 -3.361 9.217 8.257 1.00 0.00 O ATOM 643 OE2 GLU A 46 -3.698 10.514 6.515 1.00 0.00 O ATOM 0 H GLU A 46 1.564 8.063 8.021 1.00 0.00 H new ATOM 0 HA GLU A 46 -0.454 6.525 6.569 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -1.142 8.242 8.197 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -0.218 9.460 7.340 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -1.692 9.455 5.486 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -2.404 7.919 5.937 1.00 0.00 H new ATOM 650 N LEU A 47 -0.140 7.363 4.228 1.00 0.00 N ATOM 651 CA LEU A 47 0.199 7.659 2.840 1.00 0.00 C ATOM 652 C LEU A 47 -0.673 8.786 2.296 1.00 0.00 C ATOM 653 O LEU A 47 -1.875 8.838 2.559 1.00 0.00 O ATOM 654 CB LEU A 47 0.033 6.408 1.976 1.00 0.00 C ATOM 655 CG LEU A 47 1.129 5.350 2.110 1.00 0.00 C ATOM 656 CD1 LEU A 47 0.776 4.110 1.303 1.00 0.00 C ATOM 657 CD2 LEU A 47 2.471 5.913 1.666 1.00 0.00 C ATOM 0 H LEU A 47 -0.958 6.765 4.344 1.00 0.00 H new ATOM 0 HA LEU A 47 1.240 7.981 2.806 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -0.923 5.945 2.222 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -0.021 6.716 0.932 1.00 0.00 H new ATOM 0 HG LEU A 47 1.206 5.066 3.159 1.00 0.00 H new ATOM 0 HD11 LEU A 47 1.568 3.368 1.411 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -0.163 3.694 1.667 1.00 0.00 H new ATOM 0 HD13 LEU A 47 0.670 4.378 0.252 1.00 0.00 H new ATOM 0 HD21 LEU A 47 3.239 5.146 1.768 1.00 0.00 H new ATOM 0 HD22 LEU A 47 2.407 6.226 0.624 1.00 0.00 H new ATOM 0 HD23 LEU A 47 2.729 6.770 2.287 1.00 0.00 H new ATOM 669 N LYS A 48 -0.061 9.686 1.534 1.00 0.00 N ATOM 670 CA LYS A 48 -0.781 10.810 0.948 1.00 0.00 C ATOM 671 C LYS A 48 -1.117 10.539 -0.515 1.00 0.00 C ATOM 672 O LYS A 48 -0.284 10.038 -1.270 1.00 0.00 O ATOM 673 CB LYS A 48 0.051 12.090 1.062 1.00 0.00 C ATOM 674 CG LYS A 48 -0.092 12.791 2.402 1.00 0.00 C ATOM 675 CD LYS A 48 0.547 14.169 2.381 1.00 0.00 C ATOM 676 CE LYS A 48 0.492 14.830 3.750 1.00 0.00 C ATOM 677 NZ LYS A 48 1.501 14.256 4.683 1.00 0.00 N ATOM 0 H LYS A 48 0.933 9.659 1.308 1.00 0.00 H new ATOM 0 HA LYS A 48 -1.713 10.938 1.499 1.00 0.00 H new ATOM 0 HB2 LYS A 48 1.101 11.847 0.899 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -0.244 12.777 0.269 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -1.148 12.883 2.655 1.00 0.00 H new ATOM 0 HG3 LYS A 48 0.371 12.186 3.181 1.00 0.00 H new ATOM 0 HD2 LYS A 48 1.585 14.085 2.058 1.00 0.00 H new ATOM 0 HD3 LYS A 48 0.036 14.797 1.652 1.00 0.00 H new ATOM 0 HE2 LYS A 48 0.664 15.901 3.643 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -0.505 14.707 4.173 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 1.455 14.755 5.594 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 1.302 13.246 4.831 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 2.452 14.365 4.276 1.00 0.00 H new ATOM 691 N SER A 49 -2.342 10.874 -0.908 1.00 0.00 N ATOM 692 CA SER A 49 -2.788 10.664 -2.280 1.00 0.00 C ATOM 693 C SER A 49 -2.786 11.976 -3.059 1.00 0.00 C ATOM 694 O SER A 49 -3.777 12.705 -3.070 1.00 0.00 O ATOM 695 CB SER A 49 -4.190 10.052 -2.294 1.00 0.00 C ATOM 696 OG SER A 49 -5.081 10.799 -1.484 1.00 0.00 O ATOM 0 H SER A 49 -3.043 11.292 -0.296 1.00 0.00 H new ATOM 0 HA SER A 49 -2.093 9.975 -2.761 1.00 0.00 H new ATOM 0 HB2 SER A 49 -4.565 10.018 -3.317 1.00 0.00 H new ATOM 0 HB3 SER A 49 -4.145 9.023 -1.937 1.00 0.00 H new ATOM 0 HG SER A 49 -5.018 11.748 -1.719 1.00 0.00 H new ATOM 702 N ASN A 50 -1.664 12.269 -3.708 1.00 0.00 N ATOM 703 CA ASN A 50 -1.531 13.493 -4.490 1.00 0.00 C ATOM 704 C ASN A 50 -0.305 13.430 -5.396 1.00 0.00 C ATOM 705 O ASN A 50 0.797 13.124 -4.943 1.00 0.00 O ATOM 706 CB ASN A 50 -1.432 14.707 -3.563 1.00 0.00 C ATOM 707 CG ASN A 50 -1.523 16.019 -4.317 1.00 0.00 C ATOM 708 OD1 ASN A 50 -1.263 16.077 -5.519 1.00 0.00 O ATOM 709 ND2 ASN A 50 -1.893 17.082 -3.612 1.00 0.00 N ATOM 0 H ASN A 50 -0.834 11.676 -3.708 1.00 0.00 H new ATOM 0 HA ASN A 50 -2.418 13.593 -5.116 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -2.230 14.661 -2.822 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -0.489 14.669 -3.018 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -1.971 17.992 -4.065 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -2.099 16.988 -2.617 1.00 0.00 H new ATOM 716 N GLU A 51 -0.507 13.722 -6.677 1.00 0.00 N ATOM 717 CA GLU A 51 0.582 13.697 -7.646 1.00 0.00 C ATOM 718 C GLU A 51 1.840 14.339 -7.067 1.00 0.00 C ATOM 719 O GLU A 51 1.780 15.294 -6.293 1.00 0.00 O ATOM 720 CB GLU A 51 0.170 14.424 -8.928 1.00 0.00 C ATOM 721 CG GLU A 51 -0.608 13.551 -9.899 1.00 0.00 C ATOM 722 CD GLU A 51 0.292 12.646 -10.719 1.00 0.00 C ATOM 723 OE1 GLU A 51 0.910 13.141 -11.684 1.00 0.00 O ATOM 724 OE2 GLU A 51 0.377 11.443 -10.394 1.00 0.00 O ATOM 0 H GLU A 51 -1.414 13.978 -7.067 1.00 0.00 H new ATOM 0 HA GLU A 51 0.801 12.655 -7.881 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -0.437 15.291 -8.665 1.00 0.00 H new ATOM 0 HB3 GLU A 51 1.064 14.800 -9.426 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -1.321 12.942 -9.343 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -1.187 14.186 -10.570 1.00 0.00 H new ATOM 731 N PRO A 52 3.007 13.802 -7.451 1.00 0.00 N ATOM 732 CA PRO A 52 4.302 14.305 -6.983 1.00 0.00 C ATOM 733 C PRO A 52 4.632 15.679 -7.558 1.00 0.00 C ATOM 734 O PRO A 52 4.787 15.833 -8.768 1.00 0.00 O ATOM 735 CB PRO A 52 5.295 13.259 -7.494 1.00 0.00 C ATOM 736 CG PRO A 52 4.626 12.647 -8.676 1.00 0.00 C ATOM 737 CD PRO A 52 3.154 12.663 -8.373 1.00 0.00 C ATOM 0 HA PRO A 52 4.321 14.437 -5.901 1.00 0.00 H new ATOM 0 HB2 PRO A 52 6.245 13.717 -7.770 1.00 0.00 H new ATOM 0 HB3 PRO A 52 5.511 12.512 -6.730 1.00 0.00 H new ATOM 0 HG2 PRO A 52 4.844 13.211 -9.583 1.00 0.00 H new ATOM 0 HG3 PRO A 52 4.979 11.629 -8.841 1.00 0.00 H new ATOM 0 HD2 PRO A 52 2.559 12.798 -9.276 1.00 0.00 H new ATOM 0 HD3 PRO A 52 2.828 11.730 -7.914 1.00 0.00 H new ATOM 745 N GLU A 53 4.739 16.672 -6.681 1.00 0.00 N ATOM 746 CA GLU A 53 5.050 18.033 -7.103 1.00 0.00 C ATOM 747 C GLU A 53 6.188 18.614 -6.269 1.00 0.00 C ATOM 748 O GLU A 53 7.302 18.795 -6.758 1.00 0.00 O ATOM 749 CB GLU A 53 3.811 18.923 -6.987 1.00 0.00 C ATOM 750 CG GLU A 53 4.078 20.383 -7.312 1.00 0.00 C ATOM 751 CD GLU A 53 4.062 20.662 -8.802 1.00 0.00 C ATOM 752 OE1 GLU A 53 5.111 20.472 -9.452 1.00 0.00 O ATOM 753 OE2 GLU A 53 3.001 21.069 -9.318 1.00 0.00 O ATOM 0 H GLU A 53 4.615 16.560 -5.675 1.00 0.00 H new ATOM 0 HA GLU A 53 5.367 17.999 -8.145 1.00 0.00 H new ATOM 0 HB2 GLU A 53 3.039 18.546 -7.657 1.00 0.00 H new ATOM 0 HB3 GLU A 53 3.416 18.851 -5.974 1.00 0.00 H new ATOM 0 HG2 GLU A 53 3.328 21.003 -6.822 1.00 0.00 H new ATOM 0 HG3 GLU A 53 5.046 20.671 -6.903 1.00 0.00 H new ATOM 760 N GLY A 54 5.898 18.905 -5.004 1.00 0.00 N ATOM 761 CA GLY A 54 6.906 19.463 -4.121 1.00 0.00 C ATOM 762 C GLY A 54 7.337 18.489 -3.044 1.00 0.00 C ATOM 763 O GLY A 54 8.483 18.042 -3.026 1.00 0.00 O ATOM 0 H GLY A 54 4.983 18.764 -4.575 1.00 0.00 H new ATOM 0 HA2 GLY A 54 7.775 19.758 -4.708 1.00 0.00 H new ATOM 0 HA3 GLY A 54 6.515 20.367 -3.654 1.00 0.00 H new ATOM 767 N GLN A 55 6.417 18.160 -2.143 1.00 0.00 N ATOM 768 CA GLN A 55 6.710 17.234 -1.055 1.00 0.00 C ATOM 769 C GLN A 55 7.532 16.051 -1.555 1.00 0.00 C ATOM 770 O GLN A 55 8.679 15.863 -1.149 1.00 0.00 O ATOM 771 CB GLN A 55 5.412 16.736 -0.418 1.00 0.00 C ATOM 772 CG GLN A 55 4.624 17.826 0.291 1.00 0.00 C ATOM 773 CD GLN A 55 5.299 18.302 1.562 1.00 0.00 C ATOM 774 OE1 GLN A 55 5.902 17.513 2.290 1.00 0.00 O ATOM 775 NE2 GLN A 55 5.202 19.597 1.835 1.00 0.00 N ATOM 0 H GLN A 55 5.463 18.521 -2.145 1.00 0.00 H new ATOM 0 HA GLN A 55 7.293 17.767 -0.304 1.00 0.00 H new ATOM 0 HB2 GLN A 55 4.785 16.291 -1.191 1.00 0.00 H new ATOM 0 HB3 GLN A 55 5.647 15.947 0.296 1.00 0.00 H new ATOM 0 HG2 GLN A 55 4.492 18.671 -0.384 1.00 0.00 H new ATOM 0 HG3 GLN A 55 3.629 17.452 0.531 1.00 0.00 H new ATOM 0 HE21 GLN A 55 4.692 20.215 1.203 1.00 0.00 H new ATOM 0 HE22 GLN A 55 5.637 19.975 2.677 1.00 0.00 H new ATOM 784 N VAL A 56 6.938 15.254 -2.437 1.00 0.00 N ATOM 785 CA VAL A 56 7.615 14.089 -2.993 1.00 0.00 C ATOM 786 C VAL A 56 7.981 14.311 -4.456 1.00 0.00 C ATOM 787 O VAL A 56 7.118 14.603 -5.283 1.00 0.00 O ATOM 788 CB VAL A 56 6.742 12.825 -2.880 1.00 0.00 C ATOM 789 CG1 VAL A 56 7.451 11.629 -3.497 1.00 0.00 C ATOM 790 CG2 VAL A 56 6.387 12.552 -1.426 1.00 0.00 C ATOM 0 H VAL A 56 5.988 15.394 -2.782 1.00 0.00 H new ATOM 0 HA VAL A 56 8.526 13.946 -2.412 1.00 0.00 H new ATOM 0 HB VAL A 56 5.817 12.993 -3.432 1.00 0.00 H new ATOM 0 HG11 VAL A 56 6.819 10.745 -3.408 1.00 0.00 H new ATOM 0 HG12 VAL A 56 7.650 11.828 -4.550 1.00 0.00 H new ATOM 0 HG13 VAL A 56 8.393 11.456 -2.976 1.00 0.00 H new ATOM 0 HG21 VAL A 56 5.770 11.656 -1.364 1.00 0.00 H new ATOM 0 HG22 VAL A 56 7.300 12.404 -0.850 1.00 0.00 H new ATOM 0 HG23 VAL A 56 5.836 13.400 -1.021 1.00 0.00 H new ATOM 800 N GLU A 57 9.265 14.170 -4.768 1.00 0.00 N ATOM 801 CA GLU A 57 9.745 14.357 -6.132 1.00 0.00 C ATOM 802 C GLU A 57 9.410 13.144 -6.997 1.00 0.00 C ATOM 803 O GLU A 57 9.332 12.012 -6.519 1.00 0.00 O ATOM 804 CB GLU A 57 11.255 14.599 -6.137 1.00 0.00 C ATOM 805 CG GLU A 57 12.061 13.429 -5.599 1.00 0.00 C ATOM 806 CD GLU A 57 12.102 13.396 -4.084 1.00 0.00 C ATOM 807 OE1 GLU A 57 12.904 14.151 -3.495 1.00 0.00 O ATOM 808 OE2 GLU A 57 11.332 12.615 -3.487 1.00 0.00 O ATOM 0 H GLU A 57 9.992 13.927 -4.095 1.00 0.00 H new ATOM 0 HA GLU A 57 9.244 15.230 -6.550 1.00 0.00 H new ATOM 0 HB2 GLU A 57 11.577 14.813 -7.156 1.00 0.00 H new ATOM 0 HB3 GLU A 57 11.474 15.485 -5.541 1.00 0.00 H new ATOM 0 HG2 GLU A 57 11.632 12.497 -5.967 1.00 0.00 H new ATOM 0 HG3 GLU A 57 13.079 13.486 -5.985 1.00 0.00 H new ATOM 815 N PRO A 58 9.208 13.385 -8.300 1.00 0.00 N ATOM 816 CA PRO A 58 8.878 12.327 -9.260 1.00 0.00 C ATOM 817 C PRO A 58 10.054 11.390 -9.515 1.00 0.00 C ATOM 818 O PRO A 58 10.986 11.732 -10.242 1.00 0.00 O ATOM 819 CB PRO A 58 8.524 13.099 -10.533 1.00 0.00 C ATOM 820 CG PRO A 58 9.255 14.391 -10.408 1.00 0.00 C ATOM 821 CD PRO A 58 9.285 14.710 -8.939 1.00 0.00 C ATOM 0 HA PRO A 58 8.075 11.685 -8.898 1.00 0.00 H new ATOM 0 HB2 PRO A 58 8.833 12.554 -11.425 1.00 0.00 H new ATOM 0 HB3 PRO A 58 7.449 13.259 -10.613 1.00 0.00 H new ATOM 0 HG2 PRO A 58 10.265 14.308 -10.810 1.00 0.00 H new ATOM 0 HG3 PRO A 58 8.752 15.179 -10.968 1.00 0.00 H new ATOM 0 HD2 PRO A 58 10.197 15.238 -8.661 1.00 0.00 H new ATOM 0 HD3 PRO A 58 8.448 15.345 -8.649 1.00 0.00 H new ATOM 829 N GLY A 59 10.003 10.206 -8.913 1.00 0.00 N ATOM 830 CA GLY A 59 11.070 9.238 -9.088 1.00 0.00 C ATOM 831 C GLY A 59 11.426 8.527 -7.798 1.00 0.00 C ATOM 832 O GLY A 59 11.558 7.303 -7.771 1.00 0.00 O ATOM 0 H GLY A 59 9.242 9.900 -8.307 1.00 0.00 H new ATOM 0 HA2 GLY A 59 10.770 8.502 -9.834 1.00 0.00 H new ATOM 0 HA3 GLY A 59 11.954 9.743 -9.477 1.00 0.00 H new ATOM 836 N ALA A 60 11.582 9.295 -6.724 1.00 0.00 N ATOM 837 CA ALA A 60 11.925 8.731 -5.425 1.00 0.00 C ATOM 838 C ALA A 60 11.183 7.421 -5.182 1.00 0.00 C ATOM 839 O ALA A 60 11.799 6.377 -4.966 1.00 0.00 O ATOM 840 CB ALA A 60 11.615 9.728 -4.318 1.00 0.00 C ATOM 0 H ALA A 60 11.476 10.309 -6.729 1.00 0.00 H new ATOM 0 HA ALA A 60 12.994 8.519 -5.420 1.00 0.00 H new ATOM 0 HB1 ALA A 60 11.876 9.293 -3.353 1.00 0.00 H new ATOM 0 HB2 ALA A 60 12.195 10.638 -4.475 1.00 0.00 H new ATOM 0 HB3 ALA A 60 10.552 9.968 -4.332 1.00 0.00 H new ATOM 846 N LEU A 61 9.856 7.483 -5.218 1.00 0.00 N ATOM 847 CA LEU A 61 9.029 6.301 -5.001 1.00 0.00 C ATOM 848 C LEU A 61 7.749 6.372 -5.828 1.00 0.00 C ATOM 849 O LEU A 61 7.119 7.426 -5.924 1.00 0.00 O ATOM 850 CB LEU A 61 8.684 6.161 -3.517 1.00 0.00 C ATOM 851 CG LEU A 61 7.573 5.167 -3.177 1.00 0.00 C ATOM 852 CD1 LEU A 61 8.101 3.741 -3.217 1.00 0.00 C ATOM 853 CD2 LEU A 61 6.977 5.479 -1.812 1.00 0.00 C ATOM 0 H LEU A 61 9.330 8.339 -5.395 1.00 0.00 H new ATOM 0 HA LEU A 61 9.597 5.427 -5.320 1.00 0.00 H new ATOM 0 HB2 LEU A 61 9.586 5.864 -2.981 1.00 0.00 H new ATOM 0 HB3 LEU A 61 8.396 7.141 -3.138 1.00 0.00 H new ATOM 0 HG LEU A 61 6.786 5.262 -3.925 1.00 0.00 H new ATOM 0 HD11 LEU A 61 7.296 3.048 -2.972 1.00 0.00 H new ATOM 0 HD12 LEU A 61 8.479 3.521 -4.215 1.00 0.00 H new ATOM 0 HD13 LEU A 61 8.907 3.631 -2.492 1.00 0.00 H new ATOM 0 HD21 LEU A 61 6.188 4.761 -1.587 1.00 0.00 H new ATOM 0 HD22 LEU A 61 7.755 5.413 -1.052 1.00 0.00 H new ATOM 0 HD23 LEU A 61 6.560 6.486 -1.819 1.00 0.00 H new ATOM 865 N ARG A 62 7.370 5.245 -6.420 1.00 0.00 N ATOM 866 CA ARG A 62 6.165 5.180 -7.238 1.00 0.00 C ATOM 867 C ARG A 62 5.183 4.154 -6.679 1.00 0.00 C ATOM 868 O ARG A 62 5.490 2.964 -6.603 1.00 0.00 O ATOM 869 CB ARG A 62 6.522 4.825 -8.683 1.00 0.00 C ATOM 870 CG ARG A 62 7.484 5.807 -9.331 1.00 0.00 C ATOM 871 CD ARG A 62 8.223 5.174 -10.499 1.00 0.00 C ATOM 872 NE ARG A 62 9.467 4.535 -10.078 1.00 0.00 N ATOM 873 CZ ARG A 62 10.451 4.220 -10.913 1.00 0.00 C ATOM 874 NH1 ARG A 62 10.337 4.485 -12.207 1.00 0.00 N ATOM 875 NH2 ARG A 62 11.553 3.640 -10.454 1.00 0.00 N ATOM 0 H ARG A 62 7.880 4.364 -6.349 1.00 0.00 H new ATOM 0 HA ARG A 62 5.690 6.161 -7.219 1.00 0.00 H new ATOM 0 HB2 ARG A 62 6.963 3.829 -8.705 1.00 0.00 H new ATOM 0 HB3 ARG A 62 5.607 4.782 -9.274 1.00 0.00 H new ATOM 0 HG2 ARG A 62 6.934 6.682 -9.678 1.00 0.00 H new ATOM 0 HG3 ARG A 62 8.203 6.156 -8.590 1.00 0.00 H new ATOM 0 HD2 ARG A 62 7.580 4.435 -10.977 1.00 0.00 H new ATOM 0 HD3 ARG A 62 8.442 5.937 -11.246 1.00 0.00 H new ATOM 0 HE ARG A 62 9.587 4.319 -9.088 1.00 0.00 H new ATOM 0 HH11 ARG A 62 9.492 4.932 -12.564 1.00 0.00 H new ATOM 0 HH12 ARG A 62 11.094 4.242 -12.846 1.00 0.00 H new ATOM 0 HH21 ARG A 62 11.645 3.436 -9.459 1.00 0.00 H new ATOM 0 HH22 ARG A 62 12.308 3.399 -11.096 1.00 0.00 H new ATOM 889 N TYR A 63 4.004 4.623 -6.289 1.00 0.00 N ATOM 890 CA TYR A 63 2.978 3.747 -5.734 1.00 0.00 C ATOM 891 C TYR A 63 1.678 3.862 -6.524 1.00 0.00 C ATOM 892 O TYR A 63 1.361 4.919 -7.070 1.00 0.00 O ATOM 893 CB TYR A 63 2.727 4.089 -4.264 1.00 0.00 C ATOM 894 CG TYR A 63 2.436 5.553 -4.025 1.00 0.00 C ATOM 895 CD1 TYR A 63 3.410 6.520 -4.240 1.00 0.00 C ATOM 896 CD2 TYR A 63 1.187 5.970 -3.582 1.00 0.00 C ATOM 897 CE1 TYR A 63 3.149 7.859 -4.022 1.00 0.00 C ATOM 898 CE2 TYR A 63 0.916 7.307 -3.362 1.00 0.00 C ATOM 899 CZ TYR A 63 1.901 8.247 -3.583 1.00 0.00 C ATOM 900 OH TYR A 63 1.636 9.580 -3.364 1.00 0.00 O ATOM 0 H TYR A 63 3.734 5.605 -6.347 1.00 0.00 H new ATOM 0 HA TYR A 63 3.335 2.720 -5.805 1.00 0.00 H new ATOM 0 HB2 TYR A 63 1.888 3.496 -3.900 1.00 0.00 H new ATOM 0 HB3 TYR A 63 3.600 3.800 -3.678 1.00 0.00 H new ATOM 0 HD1 TYR A 63 4.389 6.220 -4.584 1.00 0.00 H new ATOM 0 HD2 TYR A 63 0.414 5.236 -3.406 1.00 0.00 H new ATOM 0 HE1 TYR A 63 3.918 8.597 -4.194 1.00 0.00 H new ATOM 0 HE2 TYR A 63 -0.061 7.614 -3.019 1.00 0.00 H new ATOM 0 HH TYR A 63 0.966 9.668 -2.654 1.00 0.00 H new ATOM 910 N ARG A 64 0.929 2.765 -6.580 1.00 0.00 N ATOM 911 CA ARG A 64 -0.336 2.741 -7.303 1.00 0.00 C ATOM 912 C ARG A 64 -1.493 2.414 -6.364 1.00 0.00 C ATOM 913 O ARG A 64 -1.462 1.410 -5.651 1.00 0.00 O ATOM 914 CB ARG A 64 -0.281 1.715 -8.437 1.00 0.00 C ATOM 915 CG ARG A 64 -1.607 1.528 -9.155 1.00 0.00 C ATOM 916 CD ARG A 64 -1.776 2.532 -10.284 1.00 0.00 C ATOM 917 NE ARG A 64 -0.867 2.264 -11.395 1.00 0.00 N ATOM 918 CZ ARG A 64 0.316 2.851 -11.535 1.00 0.00 C ATOM 919 NH1 ARG A 64 0.732 3.734 -10.637 1.00 0.00 N ATOM 920 NH2 ARG A 64 1.087 2.554 -12.573 1.00 0.00 N ATOM 0 H ARG A 64 1.177 1.882 -6.133 1.00 0.00 H new ATOM 0 HA ARG A 64 -0.502 3.732 -7.726 1.00 0.00 H new ATOM 0 HB2 ARG A 64 0.473 2.026 -9.160 1.00 0.00 H new ATOM 0 HB3 ARG A 64 0.042 0.756 -8.032 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -1.666 0.516 -9.555 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -2.426 1.638 -8.444 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -2.805 2.504 -10.643 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -1.598 3.538 -9.904 1.00 0.00 H new ATOM 0 HE ARG A 64 -1.157 1.589 -12.102 1.00 0.00 H new ATOM 0 HH11 ARG A 64 0.143 3.964 -9.837 1.00 0.00 H new ATOM 0 HH12 ARG A 64 1.641 4.183 -10.747 1.00 0.00 H new ATOM 0 HH21 ARG A 64 0.771 1.874 -13.265 1.00 0.00 H new ATOM 0 HH22 ARG A 64 1.995 3.006 -12.679 1.00 0.00 H new ATOM 934 N ILE A 65 -2.511 3.268 -6.367 1.00 0.00 N ATOM 935 CA ILE A 65 -3.678 3.069 -5.516 1.00 0.00 C ATOM 936 C ILE A 65 -4.956 2.997 -6.344 1.00 0.00 C ATOM 937 O ILE A 65 -5.406 3.999 -6.897 1.00 0.00 O ATOM 938 CB ILE A 65 -3.815 4.197 -4.477 1.00 0.00 C ATOM 939 CG1 ILE A 65 -2.552 4.286 -3.618 1.00 0.00 C ATOM 940 CG2 ILE A 65 -5.040 3.968 -3.605 1.00 0.00 C ATOM 941 CD1 ILE A 65 -2.497 5.523 -2.750 1.00 0.00 C ATOM 0 H ILE A 65 -2.551 4.104 -6.949 1.00 0.00 H new ATOM 0 HA ILE A 65 -3.532 2.123 -4.995 1.00 0.00 H new ATOM 0 HB ILE A 65 -3.940 5.143 -5.004 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -2.492 3.403 -2.982 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -1.678 4.270 -4.269 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -5.123 4.774 -2.876 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -5.933 3.950 -4.230 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -4.943 3.016 -3.084 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -1.575 5.519 -2.169 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -2.525 6.412 -3.381 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -3.352 5.531 -2.074 1.00 0.00 H new ATOM 953 N GLU A 66 -5.538 1.804 -6.422 1.00 0.00 N ATOM 954 CA GLU A 66 -6.766 1.601 -7.181 1.00 0.00 C ATOM 955 C GLU A 66 -7.868 1.031 -6.293 1.00 0.00 C ATOM 956 O GLU A 66 -7.668 0.031 -5.604 1.00 0.00 O ATOM 957 CB GLU A 66 -6.512 0.663 -8.363 1.00 0.00 C ATOM 958 CG GLU A 66 -5.553 1.231 -9.396 1.00 0.00 C ATOM 959 CD GLU A 66 -6.106 2.460 -10.092 1.00 0.00 C ATOM 960 OE1 GLU A 66 -5.950 3.572 -9.546 1.00 0.00 O ATOM 961 OE2 GLU A 66 -6.694 2.309 -11.183 1.00 0.00 O ATOM 0 H GLU A 66 -5.179 0.964 -5.969 1.00 0.00 H new ATOM 0 HA GLU A 66 -7.093 2.570 -7.559 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -6.113 -0.280 -7.989 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -7.462 0.437 -8.847 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -4.611 1.486 -8.910 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -5.331 0.466 -10.140 1.00 0.00 H new ATOM 968 N GLN A 67 -9.029 1.676 -6.313 1.00 0.00 N ATOM 969 CA GLN A 67 -10.162 1.235 -5.508 1.00 0.00 C ATOM 970 C GLN A 67 -11.386 0.983 -6.383 1.00 0.00 C ATOM 971 O GLN A 67 -11.952 1.912 -6.961 1.00 0.00 O ATOM 972 CB GLN A 67 -10.491 2.276 -4.438 1.00 0.00 C ATOM 973 CG GLN A 67 -11.498 1.792 -3.407 1.00 0.00 C ATOM 974 CD GLN A 67 -12.933 1.969 -3.864 1.00 0.00 C ATOM 975 OE1 GLN A 67 -13.416 1.236 -4.727 1.00 0.00 O ATOM 976 NE2 GLN A 67 -13.622 2.945 -3.285 1.00 0.00 N ATOM 0 H GLN A 67 -9.210 2.506 -6.878 1.00 0.00 H new ATOM 0 HA GLN A 67 -9.887 0.299 -5.021 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -9.572 2.564 -3.928 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -10.881 3.171 -4.922 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -11.316 0.739 -3.194 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -11.348 2.337 -2.475 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -13.181 3.528 -2.574 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -14.592 3.112 -3.551 1.00 0.00 H new ATOM 985 N LYS A 68 -11.791 -0.279 -6.477 1.00 0.00 N ATOM 986 CA LYS A 68 -12.948 -0.654 -7.280 1.00 0.00 C ATOM 987 C LYS A 68 -13.911 -1.521 -6.475 1.00 0.00 C ATOM 988 O LYS A 68 -13.826 -2.748 -6.500 1.00 0.00 O ATOM 989 CB LYS A 68 -12.501 -1.403 -8.538 1.00 0.00 C ATOM 990 CG LYS A 68 -12.276 -0.498 -9.737 1.00 0.00 C ATOM 991 CD LYS A 68 -10.859 0.051 -9.763 1.00 0.00 C ATOM 992 CE LYS A 68 -9.921 -0.864 -10.535 1.00 0.00 C ATOM 993 NZ LYS A 68 -9.361 -1.940 -9.671 1.00 0.00 N ATOM 0 H LYS A 68 -11.334 -1.060 -6.006 1.00 0.00 H new ATOM 0 HA LYS A 68 -13.467 0.259 -7.573 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -11.578 -1.941 -8.322 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -13.253 -2.149 -8.793 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -12.469 -1.054 -10.655 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -12.987 0.328 -9.709 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -10.860 1.041 -10.219 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -10.495 0.170 -8.743 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -10.457 -1.312 -11.371 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -9.106 -0.276 -10.957 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -8.463 -2.276 -10.073 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -9.194 -1.566 -8.715 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -10.035 -2.730 -9.620 1.00 0.00 H new ATOM 1007 N GLY A 69 -14.829 -0.874 -5.763 1.00 0.00 N ATOM 1008 CA GLY A 69 -15.796 -1.602 -4.962 1.00 0.00 C ATOM 1009 C GLY A 69 -15.137 -2.539 -3.969 1.00 0.00 C ATOM 1010 O GLY A 69 -14.614 -3.588 -4.347 1.00 0.00 O ATOM 0 H GLY A 69 -14.920 0.141 -5.727 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -16.426 -0.893 -4.425 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -16.450 -2.175 -5.619 1.00 0.00 H new ATOM 1014 N LEU A 70 -15.161 -2.161 -2.696 1.00 0.00 N ATOM 1015 CA LEU A 70 -14.561 -2.975 -1.645 1.00 0.00 C ATOM 1016 C LEU A 70 -13.337 -3.721 -2.166 1.00 0.00 C ATOM 1017 O LEU A 70 -13.085 -4.863 -1.783 1.00 0.00 O ATOM 1018 CB LEU A 70 -15.584 -3.971 -1.096 1.00 0.00 C ATOM 1019 CG LEU A 70 -16.580 -4.536 -2.109 1.00 0.00 C ATOM 1020 CD1 LEU A 70 -16.980 -5.954 -1.731 1.00 0.00 C ATOM 1021 CD2 LEU A 70 -17.807 -3.642 -2.207 1.00 0.00 C ATOM 0 H LEU A 70 -15.589 -1.296 -2.367 1.00 0.00 H new ATOM 0 HA LEU A 70 -14.244 -2.310 -0.842 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -15.045 -4.803 -0.644 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -16.144 -3.483 -0.298 1.00 0.00 H new ATOM 0 HG LEU A 70 -16.098 -4.565 -3.086 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -17.689 -6.339 -2.463 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -16.095 -6.589 -1.714 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -17.443 -5.951 -0.744 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -18.505 -4.060 -2.933 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -18.291 -3.580 -1.232 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -17.506 -2.644 -2.526 1.00 0.00 H new ATOM 1033 N GLN A 71 -12.579 -3.067 -3.040 1.00 0.00 N ATOM 1034 CA GLN A 71 -11.380 -3.668 -3.612 1.00 0.00 C ATOM 1035 C GLN A 71 -10.217 -2.681 -3.602 1.00 0.00 C ATOM 1036 O GLN A 71 -10.114 -1.817 -4.474 1.00 0.00 O ATOM 1037 CB GLN A 71 -11.652 -4.138 -5.042 1.00 0.00 C ATOM 1038 CG GLN A 71 -10.739 -5.265 -5.497 1.00 0.00 C ATOM 1039 CD GLN A 71 -11.141 -5.835 -6.843 1.00 0.00 C ATOM 1040 OE1 GLN A 71 -10.839 -5.261 -7.889 1.00 0.00 O ATOM 1041 NE2 GLN A 71 -11.827 -6.972 -6.822 1.00 0.00 N ATOM 0 H GLN A 71 -12.774 -2.121 -3.367 1.00 0.00 H new ATOM 0 HA GLN A 71 -11.108 -4.528 -2.999 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -12.688 -4.469 -5.116 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -11.538 -3.293 -5.721 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -9.715 -4.897 -5.554 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -10.751 -6.060 -4.752 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -12.056 -7.413 -5.931 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -12.125 -7.404 -7.697 1.00 0.00 H new ATOM 1050 N HIS A 72 -9.343 -2.814 -2.609 1.00 0.00 N ATOM 1051 CA HIS A 72 -8.187 -1.934 -2.485 1.00 0.00 C ATOM 1052 C HIS A 72 -6.907 -2.657 -2.892 1.00 0.00 C ATOM 1053 O HIS A 72 -6.690 -3.811 -2.521 1.00 0.00 O ATOM 1054 CB HIS A 72 -8.062 -1.420 -1.050 1.00 0.00 C ATOM 1055 CG HIS A 72 -9.284 -0.704 -0.562 1.00 0.00 C ATOM 1056 ND1 HIS A 72 -9.483 0.649 -0.737 1.00 0.00 N ATOM 1057 CD2 HIS A 72 -10.373 -1.161 0.098 1.00 0.00 C ATOM 1058 CE1 HIS A 72 -10.642 0.993 -0.204 1.00 0.00 C ATOM 1059 NE2 HIS A 72 -11.202 -0.087 0.309 1.00 0.00 N ATOM 0 H HIS A 72 -9.414 -3.523 -1.879 1.00 0.00 H new ATOM 0 HA HIS A 72 -8.333 -1.087 -3.155 1.00 0.00 H new ATOM 0 HB2 HIS A 72 -7.855 -2.261 -0.388 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -7.207 -0.747 -0.987 1.00 0.00 H new ATOM 0 HD1 HIS A 72 -8.837 1.285 -1.205 1.00 0.00 H new ATOM 0 HD2 HIS A 72 -10.556 -2.181 0.402 1.00 0.00 H new ATOM 0 HE1 HIS A 72 -11.060 1.989 -0.190 1.00 0.00 H new ATOM 1067 N ARG A 73 -6.064 -1.972 -3.658 1.00 0.00 N ATOM 1068 CA ARG A 73 -4.807 -2.550 -4.117 1.00 0.00 C ATOM 1069 C ARG A 73 -3.698 -1.503 -4.126 1.00 0.00 C ATOM 1070 O ARG A 73 -3.848 -0.429 -4.711 1.00 0.00 O ATOM 1071 CB ARG A 73 -4.975 -3.143 -5.517 1.00 0.00 C ATOM 1072 CG ARG A 73 -4.072 -4.336 -5.786 1.00 0.00 C ATOM 1073 CD ARG A 73 -4.268 -4.877 -7.194 1.00 0.00 C ATOM 1074 NE ARG A 73 -3.454 -6.063 -7.442 1.00 0.00 N ATOM 1075 CZ ARG A 73 -3.792 -7.284 -7.041 1.00 0.00 C ATOM 1076 NH1 ARG A 73 -4.923 -7.477 -6.376 1.00 0.00 N ATOM 1077 NH2 ARG A 73 -2.999 -8.314 -7.305 1.00 0.00 N ATOM 0 H ARG A 73 -6.229 -1.016 -3.974 1.00 0.00 H new ATOM 0 HA ARG A 73 -4.527 -3.344 -3.425 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -6.013 -3.446 -5.652 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -4.771 -2.369 -6.257 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -3.031 -4.044 -5.649 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -4.280 -5.122 -5.061 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -5.320 -5.121 -7.346 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -4.012 -4.104 -7.918 1.00 0.00 H new ATOM 0 HE ARG A 73 -2.578 -5.948 -7.951 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -5.535 -6.687 -6.171 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -5.180 -8.415 -6.069 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -2.128 -8.169 -7.816 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -3.260 -9.251 -6.997 1.00 0.00 H new ATOM 1091 N LEU A 74 -2.585 -1.821 -3.474 1.00 0.00 N ATOM 1092 CA LEU A 74 -1.450 -0.907 -3.406 1.00 0.00 C ATOM 1093 C LEU A 74 -0.202 -1.543 -4.010 1.00 0.00 C ATOM 1094 O LEU A 74 0.434 -2.396 -3.390 1.00 0.00 O ATOM 1095 CB LEU A 74 -1.180 -0.504 -1.955 1.00 0.00 C ATOM 1096 CG LEU A 74 0.128 0.245 -1.699 1.00 0.00 C ATOM 1097 CD1 LEU A 74 0.009 1.694 -2.145 1.00 0.00 C ATOM 1098 CD2 LEU A 74 0.507 0.168 -0.227 1.00 0.00 C ATOM 0 H LEU A 74 -2.444 -2.705 -2.985 1.00 0.00 H new ATOM 0 HA LEU A 74 -1.697 -0.016 -3.984 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -2.006 0.120 -1.613 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -1.186 -1.405 -1.342 1.00 0.00 H new ATOM 0 HG LEU A 74 0.917 -0.230 -2.282 1.00 0.00 H new ATOM 0 HD11 LEU A 74 0.949 2.212 -1.955 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -0.216 1.729 -3.211 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -0.792 2.181 -1.589 1.00 0.00 H new ATOM 0 HD21 LEU A 74 1.440 0.706 -0.063 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -0.282 0.618 0.376 1.00 0.00 H new ATOM 0 HD23 LEU A 74 0.634 -0.875 0.062 1.00 0.00 H new ATOM 1110 N ILE A 75 0.144 -1.121 -5.221 1.00 0.00 N ATOM 1111 CA ILE A 75 1.318 -1.647 -5.907 1.00 0.00 C ATOM 1112 C ILE A 75 2.491 -0.677 -5.811 1.00 0.00 C ATOM 1113 O ILE A 75 2.345 0.519 -6.066 1.00 0.00 O ATOM 1114 CB ILE A 75 1.022 -1.932 -7.391 1.00 0.00 C ATOM 1115 CG1 ILE A 75 -0.310 -2.670 -7.536 1.00 0.00 C ATOM 1116 CG2 ILE A 75 2.152 -2.741 -8.010 1.00 0.00 C ATOM 1117 CD1 ILE A 75 -1.498 -1.747 -7.700 1.00 0.00 C ATOM 0 H ILE A 75 -0.372 -0.416 -5.748 1.00 0.00 H new ATOM 0 HA ILE A 75 1.581 -2.582 -5.412 1.00 0.00 H new ATOM 0 HB ILE A 75 0.948 -0.982 -7.920 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -0.255 -3.335 -8.398 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -0.466 -3.297 -6.658 1.00 0.00 H new ATOM 0 HG21 ILE A 75 1.929 -2.935 -9.059 1.00 0.00 H new ATOM 0 HG22 ILE A 75 3.084 -2.181 -7.935 1.00 0.00 H new ATOM 0 HG23 ILE A 75 2.254 -3.688 -7.480 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -2.408 -2.339 -7.797 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -1.578 -1.099 -6.827 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -1.365 -1.137 -8.594 1.00 0.00 H new ATOM 1129 N LEU A 76 3.655 -1.201 -5.443 1.00 0.00 N ATOM 1130 CA LEU A 76 4.856 -0.382 -5.315 1.00 0.00 C ATOM 1131 C LEU A 76 5.925 -0.824 -6.310 1.00 0.00 C ATOM 1132 O LEU A 76 6.662 -1.779 -6.061 1.00 0.00 O ATOM 1133 CB LEU A 76 5.404 -0.465 -3.890 1.00 0.00 C ATOM 1134 CG LEU A 76 4.417 -0.130 -2.771 1.00 0.00 C ATOM 1135 CD1 LEU A 76 4.825 -0.816 -1.476 1.00 0.00 C ATOM 1136 CD2 LEU A 76 4.326 1.376 -2.573 1.00 0.00 C ATOM 0 H LEU A 76 3.793 -2.189 -5.228 1.00 0.00 H new ATOM 0 HA LEU A 76 4.587 0.651 -5.534 1.00 0.00 H new ATOM 0 HB2 LEU A 76 5.780 -1.475 -3.725 1.00 0.00 H new ATOM 0 HB3 LEU A 76 6.256 0.210 -3.810 1.00 0.00 H new ATOM 0 HG LEU A 76 3.432 -0.499 -3.059 1.00 0.00 H new ATOM 0 HD11 LEU A 76 4.111 -0.566 -0.691 1.00 0.00 H new ATOM 0 HD12 LEU A 76 4.838 -1.896 -1.625 1.00 0.00 H new ATOM 0 HD13 LEU A 76 5.819 -0.478 -1.183 1.00 0.00 H new ATOM 0 HD21 LEU A 76 3.619 1.596 -1.773 1.00 0.00 H new ATOM 0 HD22 LEU A 76 5.308 1.768 -2.308 1.00 0.00 H new ATOM 0 HD23 LEU A 76 3.986 1.844 -3.497 1.00 0.00 H new ATOM 1148 N HIS A 77 6.005 -0.122 -7.436 1.00 0.00 N ATOM 1149 CA HIS A 77 6.986 -0.441 -8.467 1.00 0.00 C ATOM 1150 C HIS A 77 8.360 0.111 -8.099 1.00 0.00 C ATOM 1151 O HIS A 77 8.510 1.304 -7.836 1.00 0.00 O ATOM 1152 CB HIS A 77 6.541 0.126 -9.816 1.00 0.00 C ATOM 1153 CG HIS A 77 5.056 0.265 -9.947 1.00 0.00 C ATOM 1154 ND1 HIS A 77 4.272 -0.638 -10.634 1.00 0.00 N ATOM 1155 CD2 HIS A 77 4.210 1.209 -9.471 1.00 0.00 C ATOM 1156 CE1 HIS A 77 3.009 -0.254 -10.578 1.00 0.00 C ATOM 1157 NE2 HIS A 77 2.944 0.864 -9.877 1.00 0.00 N ATOM 0 H HIS A 77 5.403 0.671 -7.657 1.00 0.00 H new ATOM 0 HA HIS A 77 7.058 -1.526 -8.542 1.00 0.00 H new ATOM 0 HB2 HIS A 77 7.003 1.103 -9.961 1.00 0.00 H new ATOM 0 HB3 HIS A 77 6.909 -0.522 -10.612 1.00 0.00 H new ATOM 0 HD1 HIS A 77 4.614 -1.472 -11.111 1.00 0.00 H new ATOM 0 HD2 HIS A 77 4.480 2.073 -8.882 1.00 0.00 H new ATOM 0 HE1 HIS A 77 2.172 -0.767 -11.029 1.00 0.00 H new ATOM 1166 N ALA A 78 9.358 -0.766 -8.080 1.00 0.00 N ATOM 1167 CA ALA A 78 10.719 -0.366 -7.745 1.00 0.00 C ATOM 1168 C ALA A 78 10.868 -0.127 -6.246 1.00 0.00 C ATOM 1169 O ALA A 78 11.300 0.944 -5.819 1.00 0.00 O ATOM 1170 CB ALA A 78 11.110 0.882 -8.522 1.00 0.00 C ATOM 0 H ALA A 78 9.250 -1.758 -8.293 1.00 0.00 H new ATOM 0 HA ALA A 78 11.389 -1.179 -8.025 1.00 0.00 H new ATOM 0 HB1 ALA A 78 12.129 1.169 -8.261 1.00 0.00 H new ATOM 0 HB2 ALA A 78 11.053 0.678 -9.591 1.00 0.00 H new ATOM 0 HB3 ALA A 78 10.429 1.695 -8.271 1.00 0.00 H new ATOM 1176 N VAL A 79 10.506 -1.130 -5.453 1.00 0.00 N ATOM 1177 CA VAL A 79 10.600 -1.028 -4.001 1.00 0.00 C ATOM 1178 C VAL A 79 12.051 -0.905 -3.551 1.00 0.00 C ATOM 1179 O VAL A 79 12.968 -0.881 -4.373 1.00 0.00 O ATOM 1180 CB VAL A 79 9.961 -2.247 -3.310 1.00 0.00 C ATOM 1181 CG1 VAL A 79 8.458 -2.264 -3.540 1.00 0.00 C ATOM 1182 CG2 VAL A 79 10.599 -3.535 -3.808 1.00 0.00 C ATOM 0 H VAL A 79 10.145 -2.022 -5.791 1.00 0.00 H new ATOM 0 HA VAL A 79 10.056 -0.129 -3.711 1.00 0.00 H new ATOM 0 HB VAL A 79 10.139 -2.170 -2.237 1.00 0.00 H new ATOM 0 HG11 VAL A 79 8.024 -3.132 -3.044 1.00 0.00 H new ATOM 0 HG12 VAL A 79 8.017 -1.355 -3.131 1.00 0.00 H new ATOM 0 HG13 VAL A 79 8.254 -2.317 -4.609 1.00 0.00 H new ATOM 0 HG21 VAL A 79 10.136 -4.387 -3.310 1.00 0.00 H new ATOM 0 HG22 VAL A 79 10.453 -3.621 -4.885 1.00 0.00 H new ATOM 0 HG23 VAL A 79 11.666 -3.522 -3.587 1.00 0.00 H new ATOM 1192 N LYS A 80 12.254 -0.828 -2.240 1.00 0.00 N ATOM 1193 CA LYS A 80 13.594 -0.709 -1.678 1.00 0.00 C ATOM 1194 C LYS A 80 13.798 -1.706 -0.542 1.00 0.00 C ATOM 1195 O LYS A 80 12.858 -2.037 0.182 1.00 0.00 O ATOM 1196 CB LYS A 80 13.833 0.715 -1.171 1.00 0.00 C ATOM 1197 CG LYS A 80 13.507 1.788 -2.196 1.00 0.00 C ATOM 1198 CD LYS A 80 14.381 1.663 -3.432 1.00 0.00 C ATOM 1199 CE LYS A 80 15.785 2.190 -3.178 1.00 0.00 C ATOM 1200 NZ LYS A 80 16.708 1.113 -2.726 1.00 0.00 N ATOM 0 H LYS A 80 11.506 -0.846 -1.546 1.00 0.00 H new ATOM 0 HA LYS A 80 14.313 -0.932 -2.467 1.00 0.00 H new ATOM 0 HB2 LYS A 80 13.228 0.881 -0.279 1.00 0.00 H new ATOM 0 HB3 LYS A 80 14.876 0.815 -0.872 1.00 0.00 H new ATOM 0 HG2 LYS A 80 12.458 1.712 -2.482 1.00 0.00 H new ATOM 0 HG3 LYS A 80 13.645 2.773 -1.750 1.00 0.00 H new ATOM 0 HD2 LYS A 80 14.433 0.618 -3.738 1.00 0.00 H new ATOM 0 HD3 LYS A 80 13.928 2.214 -4.256 1.00 0.00 H new ATOM 0 HE2 LYS A 80 16.174 2.642 -4.090 1.00 0.00 H new ATOM 0 HE3 LYS A 80 15.747 2.976 -2.424 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 17.198 1.416 -1.860 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 16.164 0.248 -2.531 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 17.408 0.921 -3.471 1.00 0.00 H new ATOM 1214 N HIS A 81 15.030 -2.179 -0.389 1.00 0.00 N ATOM 1215 CA HIS A 81 15.357 -3.136 0.662 1.00 0.00 C ATOM 1216 C HIS A 81 15.443 -2.445 2.019 1.00 0.00 C ATOM 1217 O HIS A 81 15.109 -3.033 3.047 1.00 0.00 O ATOM 1218 CB HIS A 81 16.679 -3.838 0.349 1.00 0.00 C ATOM 1219 CG HIS A 81 17.157 -4.734 1.449 1.00 0.00 C ATOM 1220 ND1 HIS A 81 16.715 -6.031 1.609 1.00 0.00 N ATOM 1221 CD2 HIS A 81 18.045 -4.515 2.447 1.00 0.00 C ATOM 1222 CE1 HIS A 81 17.309 -6.570 2.659 1.00 0.00 C ATOM 1223 NE2 HIS A 81 18.121 -5.671 3.185 1.00 0.00 N ATOM 0 H HIS A 81 15.819 -1.915 -0.979 1.00 0.00 H new ATOM 0 HA HIS A 81 14.561 -3.879 0.703 1.00 0.00 H new ATOM 0 HB2 HIS A 81 16.562 -4.425 -0.562 1.00 0.00 H new ATOM 0 HB3 HIS A 81 17.441 -3.086 0.147 1.00 0.00 H new ATOM 0 HD2 HIS A 81 18.592 -3.602 2.629 1.00 0.00 H new ATOM 0 HE1 HIS A 81 17.156 -7.575 3.025 1.00 0.00 H new ATOM 0 HE2 HIS A 81 18.709 -5.812 4.006 1.00 0.00 H new ATOM 1232 N GLN A 82 15.894 -1.195 2.013 1.00 0.00 N ATOM 1233 CA GLN A 82 16.025 -0.425 3.245 1.00 0.00 C ATOM 1234 C GLN A 82 14.714 -0.417 4.024 1.00 0.00 C ATOM 1235 O GLN A 82 14.704 -0.222 5.239 1.00 0.00 O ATOM 1236 CB GLN A 82 16.454 1.010 2.931 1.00 0.00 C ATOM 1237 CG GLN A 82 15.487 1.749 2.020 1.00 0.00 C ATOM 1238 CD GLN A 82 15.722 3.246 2.012 1.00 0.00 C ATOM 1239 OE1 GLN A 82 15.052 3.995 2.723 1.00 0.00 O ATOM 1240 NE2 GLN A 82 16.678 3.692 1.205 1.00 0.00 N ATOM 0 H GLN A 82 16.175 -0.694 1.170 1.00 0.00 H new ATOM 0 HA GLN A 82 16.789 -0.899 3.861 1.00 0.00 H new ATOM 0 HB2 GLN A 82 16.555 1.563 3.865 1.00 0.00 H new ATOM 0 HB3 GLN A 82 17.439 0.992 2.464 1.00 0.00 H new ATOM 0 HG2 GLN A 82 15.584 1.364 1.005 1.00 0.00 H new ATOM 0 HG3 GLN A 82 14.465 1.547 2.341 1.00 0.00 H new ATOM 0 HE21 GLN A 82 17.209 3.036 0.633 1.00 0.00 H new ATOM 0 HE22 GLN A 82 16.881 4.691 1.158 1.00 0.00 H new ATOM 1249 N ASP A 83 13.610 -0.629 3.316 1.00 0.00 N ATOM 1250 CA ASP A 83 12.292 -0.647 3.941 1.00 0.00 C ATOM 1251 C ASP A 83 11.798 -2.078 4.126 1.00 0.00 C ATOM 1252 O ASP A 83 10.595 -2.322 4.219 1.00 0.00 O ATOM 1253 CB ASP A 83 11.293 0.147 3.098 1.00 0.00 C ATOM 1254 CG ASP A 83 10.195 0.770 3.937 1.00 0.00 C ATOM 1255 OD1 ASP A 83 10.452 1.076 5.120 1.00 0.00 O ATOM 1256 OD2 ASP A 83 9.078 0.954 3.409 1.00 0.00 O ATOM 0 H ASP A 83 13.601 -0.791 2.309 1.00 0.00 H new ATOM 0 HA ASP A 83 12.376 -0.182 4.923 1.00 0.00 H new ATOM 0 HB2 ASP A 83 11.822 0.931 2.556 1.00 0.00 H new ATOM 0 HB3 ASP A 83 10.847 -0.511 2.352 1.00 0.00 H new ATOM 1261 N SER A 84 12.734 -3.020 4.176 1.00 0.00 N ATOM 1262 CA SER A 84 12.393 -4.428 4.344 1.00 0.00 C ATOM 1263 C SER A 84 11.436 -4.619 5.517 1.00 0.00 C ATOM 1264 O SER A 84 11.376 -3.792 6.425 1.00 0.00 O ATOM 1265 CB SER A 84 13.659 -5.258 4.563 1.00 0.00 C ATOM 1266 OG SER A 84 13.347 -6.632 4.719 1.00 0.00 O ATOM 0 H SER A 84 13.734 -2.834 4.103 1.00 0.00 H new ATOM 0 HA SER A 84 11.897 -4.768 3.435 1.00 0.00 H new ATOM 0 HB2 SER A 84 14.333 -5.129 3.717 1.00 0.00 H new ATOM 0 HB3 SER A 84 14.185 -4.898 5.447 1.00 0.00 H new ATOM 0 HG SER A 84 13.607 -7.120 3.910 1.00 0.00 H new ATOM 1272 N GLY A 85 10.688 -5.718 5.489 1.00 0.00 N ATOM 1273 CA GLY A 85 9.743 -5.999 6.554 1.00 0.00 C ATOM 1274 C GLY A 85 8.892 -4.795 6.907 1.00 0.00 C ATOM 1275 O GLY A 85 8.663 -4.512 8.083 1.00 0.00 O ATOM 0 H GLY A 85 10.720 -6.418 4.748 1.00 0.00 H new ATOM 0 HA2 GLY A 85 9.095 -6.822 6.253 1.00 0.00 H new ATOM 0 HA3 GLY A 85 10.286 -6.328 7.440 1.00 0.00 H new ATOM 1279 N ALA A 86 8.424 -4.084 5.887 1.00 0.00 N ATOM 1280 CA ALA A 86 7.594 -2.904 6.096 1.00 0.00 C ATOM 1281 C ALA A 86 6.215 -3.289 6.619 1.00 0.00 C ATOM 1282 O ALA A 86 5.853 -4.466 6.639 1.00 0.00 O ATOM 1283 CB ALA A 86 7.468 -2.112 4.803 1.00 0.00 C ATOM 0 H ALA A 86 8.605 -4.304 4.908 1.00 0.00 H new ATOM 0 HA ALA A 86 8.077 -2.279 6.847 1.00 0.00 H new ATOM 0 HB1 ALA A 86 6.846 -1.234 4.974 1.00 0.00 H new ATOM 0 HB2 ALA A 86 8.457 -1.797 4.471 1.00 0.00 H new ATOM 0 HB3 ALA A 86 7.011 -2.737 4.036 1.00 0.00 H new ATOM 1289 N LEU A 87 5.448 -2.290 7.043 1.00 0.00 N ATOM 1290 CA LEU A 87 4.107 -2.525 7.568 1.00 0.00 C ATOM 1291 C LEU A 87 3.050 -1.907 6.658 1.00 0.00 C ATOM 1292 O LEU A 87 2.783 -0.707 6.724 1.00 0.00 O ATOM 1293 CB LEU A 87 3.982 -1.947 8.979 1.00 0.00 C ATOM 1294 CG LEU A 87 3.042 -2.691 9.928 1.00 0.00 C ATOM 1295 CD1 LEU A 87 1.676 -2.881 9.286 1.00 0.00 C ATOM 1296 CD2 LEU A 87 3.638 -4.034 10.325 1.00 0.00 C ATOM 0 H LEU A 87 5.732 -1.310 7.034 1.00 0.00 H new ATOM 0 HA LEU A 87 3.942 -3.602 7.607 1.00 0.00 H new ATOM 0 HB2 LEU A 87 4.975 -1.922 9.429 1.00 0.00 H new ATOM 0 HB3 LEU A 87 3.642 -0.915 8.898 1.00 0.00 H new ATOM 0 HG LEU A 87 2.917 -2.091 10.829 1.00 0.00 H new ATOM 0 HD11 LEU A 87 1.020 -3.412 9.976 1.00 0.00 H new ATOM 0 HD12 LEU A 87 1.245 -1.907 9.053 1.00 0.00 H new ATOM 0 HD13 LEU A 87 1.783 -3.460 8.368 1.00 0.00 H new ATOM 0 HD21 LEU A 87 2.955 -4.550 11.001 1.00 0.00 H new ATOM 0 HD22 LEU A 87 3.793 -4.641 9.433 1.00 0.00 H new ATOM 0 HD23 LEU A 87 4.593 -3.875 10.826 1.00 0.00 H new ATOM 1308 N VAL A 88 2.450 -2.736 5.809 1.00 0.00 N ATOM 1309 CA VAL A 88 1.420 -2.272 4.887 1.00 0.00 C ATOM 1310 C VAL A 88 0.030 -2.662 5.375 1.00 0.00 C ATOM 1311 O VAL A 88 -0.321 -3.841 5.404 1.00 0.00 O ATOM 1312 CB VAL A 88 1.635 -2.842 3.473 1.00 0.00 C ATOM 1313 CG1 VAL A 88 0.681 -2.190 2.483 1.00 0.00 C ATOM 1314 CG2 VAL A 88 3.080 -2.654 3.036 1.00 0.00 C ATOM 0 H VAL A 88 2.660 -3.732 5.741 1.00 0.00 H new ATOM 0 HA VAL A 88 1.496 -1.185 4.848 1.00 0.00 H new ATOM 0 HB VAL A 88 1.423 -3.911 3.496 1.00 0.00 H new ATOM 0 HG11 VAL A 88 0.848 -2.606 1.489 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -0.348 -2.382 2.789 1.00 0.00 H new ATOM 0 HG13 VAL A 88 0.858 -1.115 2.461 1.00 0.00 H new ATOM 0 HG21 VAL A 88 3.213 -3.063 2.034 1.00 0.00 H new ATOM 0 HG22 VAL A 88 3.323 -1.591 3.030 1.00 0.00 H new ATOM 0 HG23 VAL A 88 3.741 -3.173 3.731 1.00 0.00 H new ATOM 1324 N GLY A 89 -0.759 -1.663 5.759 1.00 0.00 N ATOM 1325 CA GLY A 89 -2.103 -1.922 6.241 1.00 0.00 C ATOM 1326 C GLY A 89 -3.109 -0.912 5.725 1.00 0.00 C ATOM 1327 O GLY A 89 -2.735 0.162 5.253 1.00 0.00 O ATOM 0 H GLY A 89 -0.491 -0.679 5.745 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -2.408 -2.923 5.936 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -2.104 -1.907 7.331 1.00 0.00 H new ATOM 1331 N PHE A 90 -4.389 -1.257 5.812 1.00 0.00 N ATOM 1332 CA PHE A 90 -5.452 -0.374 5.348 1.00 0.00 C ATOM 1333 C PHE A 90 -6.401 -0.017 6.489 1.00 0.00 C ATOM 1334 O PHE A 90 -7.186 -0.850 6.941 1.00 0.00 O ATOM 1335 CB PHE A 90 -6.232 -1.034 4.209 1.00 0.00 C ATOM 1336 CG PHE A 90 -7.574 -0.407 3.958 1.00 0.00 C ATOM 1337 CD1 PHE A 90 -7.683 0.749 3.203 1.00 0.00 C ATOM 1338 CD2 PHE A 90 -8.726 -0.974 4.478 1.00 0.00 C ATOM 1339 CE1 PHE A 90 -8.916 1.328 2.972 1.00 0.00 C ATOM 1340 CE2 PHE A 90 -9.963 -0.400 4.250 1.00 0.00 C ATOM 1341 CZ PHE A 90 -10.058 0.753 3.495 1.00 0.00 C ATOM 0 H PHE A 90 -4.715 -2.142 6.200 1.00 0.00 H new ATOM 0 HA PHE A 90 -4.992 0.544 4.981 1.00 0.00 H new ATOM 0 HB2 PHE A 90 -5.639 -0.982 3.296 1.00 0.00 H new ATOM 0 HB3 PHE A 90 -6.371 -2.090 4.439 1.00 0.00 H new ATOM 0 HD1 PHE A 90 -6.794 1.203 2.790 1.00 0.00 H new ATOM 0 HD2 PHE A 90 -8.657 -1.875 5.069 1.00 0.00 H new ATOM 0 HE1 PHE A 90 -8.987 2.230 2.383 1.00 0.00 H new ATOM 0 HE2 PHE A 90 -10.853 -0.852 4.661 1.00 0.00 H new ATOM 0 HZ PHE A 90 -11.023 1.204 3.314 1.00 0.00 H new ATOM 1351 N SER A 91 -6.321 1.227 6.949 1.00 0.00 N ATOM 1352 CA SER A 91 -7.168 1.694 8.040 1.00 0.00 C ATOM 1353 C SER A 91 -8.438 2.347 7.501 1.00 0.00 C ATOM 1354 O SER A 91 -8.379 3.236 6.651 1.00 0.00 O ATOM 1355 CB SER A 91 -6.404 2.686 8.919 1.00 0.00 C ATOM 1356 OG SER A 91 -6.082 3.863 8.197 1.00 0.00 O ATOM 0 H SER A 91 -5.678 1.930 6.583 1.00 0.00 H new ATOM 0 HA SER A 91 -7.452 0.831 8.642 1.00 0.00 H new ATOM 0 HB2 SER A 91 -7.006 2.943 9.791 1.00 0.00 H new ATOM 0 HB3 SER A 91 -5.490 2.221 9.289 1.00 0.00 H new ATOM 0 HG SER A 91 -5.150 3.819 7.899 1.00 0.00 H new ATOM 1362 N CYS A 92 -9.584 1.899 8.001 1.00 0.00 N ATOM 1363 CA CYS A 92 -10.869 2.438 7.570 1.00 0.00 C ATOM 1364 C CYS A 92 -11.885 2.396 8.707 1.00 0.00 C ATOM 1365 O CYS A 92 -11.767 1.612 9.650 1.00 0.00 O ATOM 1366 CB CYS A 92 -11.397 1.653 6.369 1.00 0.00 C ATOM 1367 SG CYS A 92 -12.505 0.292 6.805 1.00 0.00 S ATOM 0 H CYS A 92 -9.650 1.164 8.705 1.00 0.00 H new ATOM 0 HA CYS A 92 -10.720 3.478 7.278 1.00 0.00 H new ATOM 0 HB2 CYS A 92 -11.924 2.338 5.704 1.00 0.00 H new ATOM 0 HB3 CYS A 92 -10.551 1.254 5.809 1.00 0.00 H new ATOM 0 HG CYS A 92 -12.900 -0.310 5.722 1.00 0.00 H new ATOM 1373 N PRO A 93 -12.907 3.259 8.619 1.00 0.00 N ATOM 1374 CA PRO A 93 -13.964 3.341 9.632 1.00 0.00 C ATOM 1375 C PRO A 93 -14.870 2.115 9.625 1.00 0.00 C ATOM 1376 O PRO A 93 -15.976 2.152 9.087 1.00 0.00 O ATOM 1377 CB PRO A 93 -14.749 4.590 9.225 1.00 0.00 C ATOM 1378 CG PRO A 93 -14.506 4.731 7.762 1.00 0.00 C ATOM 1379 CD PRO A 93 -13.111 4.222 7.524 1.00 0.00 C ATOM 0 HA PRO A 93 -13.558 3.387 10.642 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -15.812 4.477 9.441 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -14.405 5.469 9.770 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -15.234 4.158 7.188 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -14.601 5.771 7.449 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -13.018 3.746 6.548 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -12.378 5.028 7.556 1.00 0.00 H new ATOM 1387 N GLY A 94 -14.395 1.029 10.227 1.00 0.00 N ATOM 1388 CA GLY A 94 -15.176 -0.192 10.279 1.00 0.00 C ATOM 1389 C GLY A 94 -14.315 -1.436 10.182 1.00 0.00 C ATOM 1390 O GLY A 94 -14.764 -2.537 10.499 1.00 0.00 O ATOM 0 H GLY A 94 -13.483 0.973 10.680 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -15.743 -0.218 11.210 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -15.901 -0.191 9.465 1.00 0.00 H new ATOM 1394 N VAL A 95 -13.073 -1.261 9.741 1.00 0.00 N ATOM 1395 CA VAL A 95 -12.147 -2.378 9.603 1.00 0.00 C ATOM 1396 C VAL A 95 -10.722 -1.957 9.947 1.00 0.00 C ATOM 1397 O VAL A 95 -10.321 -0.823 9.687 1.00 0.00 O ATOM 1398 CB VAL A 95 -12.169 -2.952 8.174 1.00 0.00 C ATOM 1399 CG1 VAL A 95 -11.059 -3.975 7.991 1.00 0.00 C ATOM 1400 CG2 VAL A 95 -13.527 -3.567 7.869 1.00 0.00 C ATOM 0 H VAL A 95 -12.685 -0.356 9.473 1.00 0.00 H new ATOM 0 HA VAL A 95 -12.474 -3.148 10.302 1.00 0.00 H new ATOM 0 HB VAL A 95 -11.997 -2.137 7.471 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -11.091 -4.369 6.975 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -10.094 -3.500 8.165 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -11.195 -4.791 8.701 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -13.525 -3.968 6.855 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -13.730 -4.371 8.577 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -14.300 -2.803 7.956 1.00 0.00 H new ATOM 1410 N GLN A 96 -9.964 -2.878 10.531 1.00 0.00 N ATOM 1411 CA GLN A 96 -8.583 -2.601 10.911 1.00 0.00 C ATOM 1412 C GLN A 96 -7.711 -3.839 10.731 1.00 0.00 C ATOM 1413 O GLN A 96 -7.792 -4.787 11.512 1.00 0.00 O ATOM 1414 CB GLN A 96 -8.517 -2.123 12.363 1.00 0.00 C ATOM 1415 CG GLN A 96 -9.348 -0.879 12.632 1.00 0.00 C ATOM 1416 CD GLN A 96 -10.767 -1.204 13.055 1.00 0.00 C ATOM 1417 OE1 GLN A 96 -11.281 -2.285 12.765 1.00 0.00 O ATOM 1418 NE2 GLN A 96 -11.409 -0.268 13.744 1.00 0.00 N ATOM 0 H GLN A 96 -10.281 -3.822 10.752 1.00 0.00 H new ATOM 0 HA GLN A 96 -8.204 -1.814 10.259 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -8.858 -2.926 13.017 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -7.478 -1.919 12.623 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -8.867 -0.287 13.411 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -9.373 -0.262 11.733 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -10.944 0.613 13.962 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -12.367 -0.430 14.055 1.00 0.00 H new ATOM 1427 N ASP A 97 -6.876 -3.823 9.697 1.00 0.00 N ATOM 1428 CA ASP A 97 -5.987 -4.944 9.415 1.00 0.00 C ATOM 1429 C ASP A 97 -4.729 -4.472 8.694 1.00 0.00 C ATOM 1430 O ASP A 97 -4.707 -3.390 8.106 1.00 0.00 O ATOM 1431 CB ASP A 97 -6.710 -5.995 8.570 1.00 0.00 C ATOM 1432 CG ASP A 97 -6.202 -7.399 8.835 1.00 0.00 C ATOM 1433 OD1 ASP A 97 -5.923 -7.718 10.010 1.00 0.00 O ATOM 1434 OD2 ASP A 97 -6.085 -8.179 7.867 1.00 0.00 O ATOM 0 H ASP A 97 -6.797 -3.046 9.041 1.00 0.00 H new ATOM 0 HA ASP A 97 -5.693 -5.391 10.365 1.00 0.00 H new ATOM 0 HB2 ASP A 97 -7.779 -5.953 8.779 1.00 0.00 H new ATOM 0 HB3 ASP A 97 -6.582 -5.759 7.514 1.00 0.00 H new ATOM 1439 N SER A 98 -3.682 -5.289 8.745 1.00 0.00 N ATOM 1440 CA SER A 98 -2.418 -4.952 8.101 1.00 0.00 C ATOM 1441 C SER A 98 -1.617 -6.212 7.783 1.00 0.00 C ATOM 1442 O SER A 98 -2.012 -7.319 8.147 1.00 0.00 O ATOM 1443 CB SER A 98 -1.595 -4.025 8.997 1.00 0.00 C ATOM 1444 OG SER A 98 -2.329 -2.860 9.334 1.00 0.00 O ATOM 0 H SER A 98 -3.684 -6.189 9.225 1.00 0.00 H new ATOM 0 HA SER A 98 -2.642 -4.438 7.166 1.00 0.00 H new ATOM 0 HB2 SER A 98 -1.307 -4.553 9.906 1.00 0.00 H new ATOM 0 HB3 SER A 98 -0.674 -3.744 8.487 1.00 0.00 H new ATOM 0 HG SER A 98 -1.783 -2.284 9.908 1.00 0.00 H new ATOM 1450 N ALA A 99 -0.490 -6.033 7.102 1.00 0.00 N ATOM 1451 CA ALA A 99 0.367 -7.154 6.736 1.00 0.00 C ATOM 1452 C ALA A 99 1.840 -6.773 6.837 1.00 0.00 C ATOM 1453 O ALA A 99 2.176 -5.636 7.166 1.00 0.00 O ATOM 1454 CB ALA A 99 0.039 -7.633 5.330 1.00 0.00 C ATOM 0 H ALA A 99 -0.149 -5.123 6.793 1.00 0.00 H new ATOM 0 HA ALA A 99 0.179 -7.967 7.437 1.00 0.00 H new ATOM 0 HB1 ALA A 99 0.687 -8.470 5.070 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -1.002 -7.953 5.288 1.00 0.00 H new ATOM 0 HB3 ALA A 99 0.197 -6.819 4.622 1.00 0.00 H new ATOM 1460 N ALA A 100 2.715 -7.732 6.552 1.00 0.00 N ATOM 1461 CA ALA A 100 4.153 -7.496 6.609 1.00 0.00 C ATOM 1462 C ALA A 100 4.780 -7.592 5.223 1.00 0.00 C ATOM 1463 O ALA A 100 4.594 -8.581 4.513 1.00 0.00 O ATOM 1464 CB ALA A 100 4.812 -8.486 7.559 1.00 0.00 C ATOM 0 H ALA A 100 2.453 -8.679 6.279 1.00 0.00 H new ATOM 0 HA ALA A 100 4.317 -6.485 6.983 1.00 0.00 H new ATOM 0 HB1 ALA A 100 5.885 -8.299 7.592 1.00 0.00 H new ATOM 0 HB2 ALA A 100 4.392 -8.367 8.558 1.00 0.00 H new ATOM 0 HB3 ALA A 100 4.632 -9.502 7.208 1.00 0.00 H new ATOM 1470 N LEU A 101 5.525 -6.560 4.843 1.00 0.00 N ATOM 1471 CA LEU A 101 6.180 -6.527 3.540 1.00 0.00 C ATOM 1472 C LEU A 101 7.668 -6.837 3.671 1.00 0.00 C ATOM 1473 O LEU A 101 8.433 -6.041 4.217 1.00 0.00 O ATOM 1474 CB LEU A 101 5.988 -5.158 2.885 1.00 0.00 C ATOM 1475 CG LEU A 101 6.770 -4.917 1.593 1.00 0.00 C ATOM 1476 CD1 LEU A 101 6.253 -5.814 0.480 1.00 0.00 C ATOM 1477 CD2 LEU A 101 6.686 -3.454 1.184 1.00 0.00 C ATOM 0 H LEU A 101 5.691 -5.735 5.419 1.00 0.00 H new ATOM 0 HA LEU A 101 5.722 -7.291 2.911 1.00 0.00 H new ATOM 0 HB2 LEU A 101 4.927 -5.024 2.674 1.00 0.00 H new ATOM 0 HB3 LEU A 101 6.270 -4.390 3.605 1.00 0.00 H new ATOM 0 HG LEU A 101 7.816 -5.164 1.773 1.00 0.00 H new ATOM 0 HD11 LEU A 101 6.822 -5.628 -0.431 1.00 0.00 H new ATOM 0 HD12 LEU A 101 6.366 -6.858 0.772 1.00 0.00 H new ATOM 0 HD13 LEU A 101 5.199 -5.600 0.300 1.00 0.00 H new ATOM 0 HD21 LEU A 101 7.248 -3.301 0.263 1.00 0.00 H new ATOM 0 HD22 LEU A 101 5.643 -3.181 1.023 1.00 0.00 H new ATOM 0 HD23 LEU A 101 7.106 -2.831 1.973 1.00 0.00 H new ATOM 1489 N THR A 102 8.072 -7.998 3.165 1.00 0.00 N ATOM 1490 CA THR A 102 9.468 -8.412 3.224 1.00 0.00 C ATOM 1491 C THR A 102 10.205 -8.048 1.940 1.00 0.00 C ATOM 1492 O THR A 102 9.691 -8.249 0.840 1.00 0.00 O ATOM 1493 CB THR A 102 9.594 -9.929 3.462 1.00 0.00 C ATOM 1494 OG1 THR A 102 9.014 -10.277 4.724 1.00 0.00 O ATOM 1495 CG2 THR A 102 11.052 -10.362 3.432 1.00 0.00 C ATOM 0 H THR A 102 7.452 -8.668 2.710 1.00 0.00 H new ATOM 0 HA THR A 102 9.920 -7.881 4.062 1.00 0.00 H new ATOM 0 HB THR A 102 9.061 -10.445 2.663 1.00 0.00 H new ATOM 0 HG1 THR A 102 9.097 -11.243 4.867 1.00 0.00 H new ATOM 0 HG21 THR A 102 11.116 -11.437 3.602 1.00 0.00 H new ATOM 0 HG22 THR A 102 11.483 -10.122 2.460 1.00 0.00 H new ATOM 0 HG23 THR A 102 11.603 -9.838 4.212 1.00 0.00 H new ATOM 1503 N ILE A 103 11.412 -7.511 2.088 1.00 0.00 N ATOM 1504 CA ILE A 103 12.219 -7.121 0.939 1.00 0.00 C ATOM 1505 C ILE A 103 13.666 -7.575 1.104 1.00 0.00 C ATOM 1506 O ILE A 103 14.358 -7.150 2.029 1.00 0.00 O ATOM 1507 CB ILE A 103 12.193 -5.596 0.725 1.00 0.00 C ATOM 1508 CG1 ILE A 103 10.749 -5.095 0.646 1.00 0.00 C ATOM 1509 CG2 ILE A 103 12.958 -5.225 -0.536 1.00 0.00 C ATOM 1510 CD1 ILE A 103 10.632 -3.587 0.658 1.00 0.00 C ATOM 0 H ILE A 103 11.852 -7.336 2.992 1.00 0.00 H new ATOM 0 HA ILE A 103 11.784 -7.610 0.067 1.00 0.00 H new ATOM 0 HB ILE A 103 12.678 -5.116 1.575 1.00 0.00 H new ATOM 0 HG12 ILE A 103 10.289 -5.480 -0.264 1.00 0.00 H new ATOM 0 HG13 ILE A 103 10.185 -5.502 1.485 1.00 0.00 H new ATOM 0 HG21 ILE A 103 12.930 -4.144 -0.673 1.00 0.00 H new ATOM 0 HG22 ILE A 103 13.993 -5.553 -0.443 1.00 0.00 H new ATOM 0 HG23 ILE A 103 12.499 -5.712 -1.396 1.00 0.00 H new ATOM 0 HD11 ILE A 103 9.581 -3.303 0.599 1.00 0.00 H new ATOM 0 HD12 ILE A 103 11.063 -3.196 1.580 1.00 0.00 H new ATOM 0 HD13 ILE A 103 11.168 -3.174 -0.197 1.00 0.00 H new ATOM 1522 N GLN A 104 14.116 -8.439 0.200 1.00 0.00 N ATOM 1523 CA GLN A 104 15.481 -8.949 0.246 1.00 0.00 C ATOM 1524 C GLN A 104 16.393 -8.146 -0.676 1.00 0.00 C ATOM 1525 O GLN A 104 15.933 -7.534 -1.639 1.00 0.00 O ATOM 1526 CB GLN A 104 15.509 -10.426 -0.150 1.00 0.00 C ATOM 1527 CG GLN A 104 15.013 -11.359 0.944 1.00 0.00 C ATOM 1528 CD GLN A 104 15.985 -11.467 2.102 1.00 0.00 C ATOM 1529 OE1 GLN A 104 16.766 -10.551 2.361 1.00 0.00 O ATOM 1530 NE2 GLN A 104 15.942 -12.591 2.808 1.00 0.00 N ATOM 0 H GLN A 104 13.556 -8.800 -0.572 1.00 0.00 H new ATOM 0 HA GLN A 104 15.846 -8.847 1.268 1.00 0.00 H new ATOM 0 HB2 GLN A 104 14.897 -10.566 -1.041 1.00 0.00 H new ATOM 0 HB3 GLN A 104 16.529 -10.703 -0.417 1.00 0.00 H new ATOM 0 HG2 GLN A 104 14.052 -11.001 1.313 1.00 0.00 H new ATOM 0 HG3 GLN A 104 14.844 -12.350 0.523 1.00 0.00 H new ATOM 0 HE21 GLN A 104 15.279 -13.325 2.559 1.00 0.00 H new ATOM 0 HE22 GLN A 104 16.572 -12.720 3.600 1.00 0.00 H new ATOM 1539 N GLU A 105 17.688 -8.154 -0.373 1.00 0.00 N ATOM 1540 CA GLU A 105 18.663 -7.425 -1.174 1.00 0.00 C ATOM 1541 C GLU A 105 18.880 -8.108 -2.522 1.00 0.00 C ATOM 1542 O GLU A 105 18.695 -9.318 -2.653 1.00 0.00 O ATOM 1543 CB GLU A 105 19.993 -7.318 -0.425 1.00 0.00 C ATOM 1544 CG GLU A 105 20.017 -6.212 0.617 1.00 0.00 C ATOM 1545 CD GLU A 105 21.412 -5.937 1.143 1.00 0.00 C ATOM 1546 OE1 GLU A 105 21.874 -6.694 2.023 1.00 0.00 O ATOM 1547 OE2 GLU A 105 22.042 -4.965 0.676 1.00 0.00 O ATOM 0 H GLU A 105 18.085 -8.657 0.421 1.00 0.00 H new ATOM 0 HA GLU A 105 18.272 -6.423 -1.352 1.00 0.00 H new ATOM 0 HB2 GLU A 105 20.203 -8.270 0.063 1.00 0.00 H new ATOM 0 HB3 GLU A 105 20.793 -7.145 -1.145 1.00 0.00 H new ATOM 0 HG2 GLU A 105 19.610 -5.299 0.182 1.00 0.00 H new ATOM 0 HG3 GLU A 105 19.367 -6.486 1.448 1.00 0.00 H new ATOM 1554 N SER A 106 19.272 -7.323 -3.520 1.00 0.00 N ATOM 1555 CA SER A 106 19.510 -7.850 -4.859 1.00 0.00 C ATOM 1556 C SER A 106 21.005 -7.944 -5.149 1.00 0.00 C ATOM 1557 O SER A 106 21.450 -7.674 -6.264 1.00 0.00 O ATOM 1558 CB SER A 106 18.830 -6.966 -5.906 1.00 0.00 C ATOM 1559 OG SER A 106 19.399 -5.668 -5.925 1.00 0.00 O ATOM 0 H SER A 106 19.432 -6.320 -3.427 1.00 0.00 H new ATOM 0 HA SER A 106 19.085 -8.852 -4.909 1.00 0.00 H new ATOM 0 HB2 SER A 106 18.927 -7.423 -6.891 1.00 0.00 H new ATOM 0 HB3 SER A 106 17.764 -6.896 -5.690 1.00 0.00 H new ATOM 0 HG SER A 106 18.686 -4.998 -5.869 1.00 0.00 H new ATOM 1565 N SER A 107 21.775 -8.328 -4.135 1.00 0.00 N ATOM 1566 CA SER A 107 23.220 -8.454 -4.278 1.00 0.00 C ATOM 1567 C SER A 107 23.707 -9.787 -3.719 1.00 0.00 C ATOM 1568 O SER A 107 23.238 -10.246 -2.679 1.00 0.00 O ATOM 1569 CB SER A 107 23.927 -7.300 -3.565 1.00 0.00 C ATOM 1570 OG SER A 107 23.517 -6.049 -4.088 1.00 0.00 O ATOM 0 H SER A 107 21.422 -8.557 -3.206 1.00 0.00 H new ATOM 0 HA SER A 107 23.460 -8.416 -5.341 1.00 0.00 H new ATOM 0 HB2 SER A 107 23.710 -7.340 -2.498 1.00 0.00 H new ATOM 0 HB3 SER A 107 25.006 -7.407 -3.675 1.00 0.00 H new ATOM 0 HG SER A 107 23.982 -5.328 -3.614 1.00 0.00 H new ATOM 1576 N GLY A 108 24.653 -10.406 -4.420 1.00 0.00 N ATOM 1577 CA GLY A 108 25.189 -11.680 -3.980 1.00 0.00 C ATOM 1578 C GLY A 108 25.901 -11.580 -2.645 1.00 0.00 C ATOM 1579 O GLY A 108 25.804 -10.576 -1.939 1.00 0.00 O ATOM 0 H GLY A 108 25.057 -10.047 -5.285 1.00 0.00 H new ATOM 0 HA2 GLY A 108 24.378 -12.404 -3.902 1.00 0.00 H new ATOM 0 HA3 GLY A 108 25.883 -12.058 -4.731 1.00 0.00 H new ATOM 1583 N PRO A 109 26.636 -12.642 -2.281 1.00 0.00 N ATOM 1584 CA PRO A 109 27.380 -12.693 -1.019 1.00 0.00 C ATOM 1585 C PRO A 109 28.572 -11.742 -1.010 1.00 0.00 C ATOM 1586 O PRO A 109 29.269 -11.616 -0.003 1.00 0.00 O ATOM 1587 CB PRO A 109 27.856 -14.147 -0.948 1.00 0.00 C ATOM 1588 CG PRO A 109 27.908 -14.599 -2.366 1.00 0.00 C ATOM 1589 CD PRO A 109 26.797 -13.873 -3.073 1.00 0.00 C ATOM 0 HA PRO A 109 26.767 -12.388 -0.171 1.00 0.00 H new ATOM 0 HB2 PRO A 109 28.834 -14.220 -0.473 1.00 0.00 H new ATOM 0 HB3 PRO A 109 27.171 -14.760 -0.362 1.00 0.00 H new ATOM 0 HG2 PRO A 109 28.874 -14.366 -2.815 1.00 0.00 H new ATOM 0 HG3 PRO A 109 27.776 -15.679 -2.437 1.00 0.00 H new ATOM 0 HD2 PRO A 109 27.056 -13.653 -4.109 1.00 0.00 H new ATOM 0 HD3 PRO A 109 25.880 -14.462 -3.091 1.00 0.00 H new ATOM 1597 N SER A 110 28.799 -11.074 -2.136 1.00 0.00 N ATOM 1598 CA SER A 110 29.909 -10.136 -2.258 1.00 0.00 C ATOM 1599 C SER A 110 29.728 -8.954 -1.310 1.00 0.00 C ATOM 1600 O SER A 110 30.640 -8.596 -0.566 1.00 0.00 O ATOM 1601 CB SER A 110 30.025 -9.635 -3.699 1.00 0.00 C ATOM 1602 OG SER A 110 31.196 -8.857 -3.876 1.00 0.00 O ATOM 0 H SER A 110 28.229 -11.165 -2.977 1.00 0.00 H new ATOM 0 HA SER A 110 30.826 -10.659 -1.988 1.00 0.00 H new ATOM 0 HB2 SER A 110 30.042 -10.484 -4.382 1.00 0.00 H new ATOM 0 HB3 SER A 110 29.148 -9.040 -3.952 1.00 0.00 H new ATOM 0 HG SER A 110 31.248 -8.550 -4.805 1.00 0.00 H new ATOM 1608 N SER A 111 28.543 -8.353 -1.343 1.00 0.00 N ATOM 1609 CA SER A 111 28.242 -7.209 -0.490 1.00 0.00 C ATOM 1610 C SER A 111 27.879 -7.664 0.920 1.00 0.00 C ATOM 1611 O SER A 111 27.224 -8.689 1.105 1.00 0.00 O ATOM 1612 CB SER A 111 27.095 -6.390 -1.085 1.00 0.00 C ATOM 1613 OG SER A 111 26.967 -5.140 -0.430 1.00 0.00 O ATOM 0 H SER A 111 27.776 -8.639 -1.951 1.00 0.00 H new ATOM 0 HA SER A 111 29.134 -6.584 -0.434 1.00 0.00 H new ATOM 0 HB2 SER A 111 27.272 -6.230 -2.149 1.00 0.00 H new ATOM 0 HB3 SER A 111 26.162 -6.947 -0.997 1.00 0.00 H new ATOM 0 HG SER A 111 26.228 -4.635 -0.830 1.00 0.00 H new ATOM 1619 N GLY A 112 28.310 -6.892 1.914 1.00 0.00 N ATOM 1620 CA GLY A 112 28.022 -7.231 3.295 1.00 0.00 C ATOM 1621 C GLY A 112 28.601 -6.226 4.271 1.00 0.00 C ATOM 1622 O GLY A 112 28.887 -5.087 3.903 1.00 0.00 O ATOM 0 H GLY A 112 28.853 -6.038 1.787 1.00 0.00 H new ATOM 0 HA2 GLY A 112 26.942 -7.288 3.434 1.00 0.00 H new ATOM 0 HA3 GLY A 112 28.424 -8.220 3.515 1.00 0.00 H new TER 1626 GLY A 112