USER MOD reduce.3.24.130724 H: found=0, std=0, add=755, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 772 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 34 MET CE :methyl -137:sc= -4.56! (180deg=-4.47) USER MOD Set 1.2: A 59 TYR OH : rot -60:sc= -2.2! USER MOD Single : A 15 GLN : amide:sc= -0.0201 X(o=-0.02,f=-0.02) USER MOD Single : A 18 ASN : amide:sc= -0.386 K(o=-0.39,f=-1.7) USER MOD Single : A 20 SER OG : rot 180:sc= 0.0999 USER MOD Single : A 21 SER OG : rot 152:sc= 0.953 USER MOD Single : A 23 LYS NZ :NH3+ 162:sc= -0.0323 (180deg=-0.39) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 SER OG : rot 72:sc= 1.25 USER MOD Single : A 62 LYS NZ :NH3+ -139:sc= 0.426 (180deg=0.0032) USER MOD Single : A 66 TYR OH : rot -173:sc= 0.98 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 ASN : amide:sc= 1.06 K(o=1.1,f=-3.7!) USER MOD Single : A 70 THR OG1 : rot -144:sc= 0.78 USER MOD Single : A 78 THR OG1 : rot 69:sc= 0.532 USER MOD Single : A 79 GLN : amide:sc= -0.0199 X(o=-0.02,f=-0.02) USER MOD Single : A 80 TYR OH : rot 165:sc= 0 USER MOD Single : A 81 ASN :FLIP amide:sc= -4.08! C(o=-5.6!,f=-4.1!) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 87 THR OG1 : rot -60:sc= 1.34 USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 ASN : amide:sc= 0.146 X(o=0.15,f=0) USER MOD Single : A 97 LYS NZ :NH3+ -152:sc= -0.0466 (180deg=-1.12) USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 106 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.000222) USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 108 THR OG1 : rot 180:sc= 0 USER MOD Single : A 110 THR OG1 : rot -134:sc= 1.22 USER MOD Single : A 112 SER OG : rot 80:sc= 0.355 USER MOD Single : A 115 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0438) USER MOD Single : A 116 TYR OH : rot 120:sc= -3.14! USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 14 -1.944 -3.622 -9.078 1.00 0.00 N ATOM 2 CA VAL A 14 -3.387 -3.326 -9.061 1.00 0.00 C ATOM 3 C VAL A 14 -3.833 -2.074 -9.861 1.00 0.00 C ATOM 4 O VAL A 14 -4.965 -2.027 -10.316 1.00 0.00 O ATOM 5 CB VAL A 14 -3.880 -3.230 -7.599 1.00 0.00 C ATOM 6 CG1 VAL A 14 -3.408 -1.970 -6.871 1.00 0.00 C ATOM 7 CG2 VAL A 14 -5.392 -3.399 -7.486 1.00 0.00 C ATOM 0 HA VAL A 14 -3.853 -4.161 -9.584 1.00 0.00 H new ATOM 0 HB VAL A 14 -3.410 -4.070 -7.088 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -3.793 -1.973 -5.851 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -2.318 -1.950 -6.847 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -3.776 -1.088 -7.395 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -5.689 -3.324 -6.440 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -5.889 -2.618 -8.062 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -5.679 -4.376 -7.875 1.00 0.00 H new ATOM 17 N GLN A 15 -2.961 -1.062 -9.874 1.00 0.00 N ATOM 18 CA GLN A 15 -3.277 0.322 -10.326 1.00 0.00 C ATOM 19 C GLN A 15 -4.172 1.092 -9.356 1.00 0.00 C ATOM 20 O GLN A 15 -3.808 2.148 -8.857 1.00 0.00 O ATOM 21 CB GLN A 15 -3.811 0.386 -11.763 1.00 0.00 C ATOM 22 CG GLN A 15 -2.719 0.611 -12.814 1.00 0.00 C ATOM 23 CD GLN A 15 -1.542 -0.370 -12.715 1.00 0.00 C ATOM 24 OE1 GLN A 15 -1.629 -1.571 -12.921 1.00 0.00 O ATOM 25 NE2 GLN A 15 -0.384 0.179 -12.408 1.00 0.00 N ATOM 0 H GLN A 15 -1.994 -1.170 -9.568 1.00 0.00 H new ATOM 0 HA GLN A 15 -2.314 0.833 -10.328 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -4.335 -0.543 -11.989 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -4.543 1.190 -11.834 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -3.163 0.530 -13.806 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -2.340 1.628 -12.716 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -0.325 1.183 -12.238 1.00 0.00 H new ATOM 0 HE22 GLN A 15 0.453 -0.400 -12.340 1.00 0.00 H new ATOM 34 N ASP A 16 -5.312 0.477 -9.072 1.00 0.00 N ATOM 35 CA ASP A 16 -6.336 1.011 -8.154 1.00 0.00 C ATOM 36 C ASP A 16 -7.275 -0.013 -7.516 1.00 0.00 C ATOM 37 O ASP A 16 -8.137 -0.614 -8.154 1.00 0.00 O ATOM 38 CB ASP A 16 -7.147 2.114 -8.838 1.00 0.00 C ATOM 39 CG ASP A 16 -6.477 3.474 -8.604 1.00 0.00 C ATOM 40 OD1 ASP A 16 -6.095 4.107 -9.611 1.00 0.00 O ATOM 41 OD2 ASP A 16 -6.440 3.871 -7.422 1.00 0.00 O ATOM 0 H ASP A 16 -5.566 -0.425 -9.476 1.00 0.00 H new ATOM 0 HA ASP A 16 -5.760 1.409 -7.319 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -7.221 1.914 -9.907 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -8.164 2.127 -8.445 1.00 0.00 H new ATOM 47 N VAL A 17 -7.037 -0.189 -6.221 1.00 0.00 N ATOM 48 CA VAL A 17 -7.920 -0.977 -5.351 1.00 0.00 C ATOM 49 C VAL A 17 -9.066 -0.096 -4.811 1.00 0.00 C ATOM 50 O VAL A 17 -9.077 0.334 -3.664 1.00 0.00 O ATOM 51 CB VAL A 17 -7.202 -1.671 -4.180 1.00 0.00 C ATOM 52 CG1 VAL A 17 -7.459 -3.168 -4.268 1.00 0.00 C ATOM 53 CG2 VAL A 17 -5.708 -1.402 -3.980 1.00 0.00 C ATOM 0 H VAL A 17 -6.230 0.207 -5.740 1.00 0.00 H new ATOM 0 HA VAL A 17 -8.315 -1.774 -5.981 1.00 0.00 H new ATOM 0 HB VAL A 17 -7.640 -1.211 -3.294 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -6.955 -3.673 -3.443 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -8.531 -3.357 -4.209 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -7.075 -3.548 -5.215 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -5.350 -1.962 -3.116 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -5.160 -1.715 -4.869 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -5.549 -0.337 -3.813 1.00 0.00 H new ATOM 63 N ASN A 18 -9.985 0.235 -5.709 1.00 0.00 N ATOM 64 CA ASN A 18 -11.198 0.998 -5.399 1.00 0.00 C ATOM 65 C ASN A 18 -12.142 0.077 -4.618 1.00 0.00 C ATOM 66 O ASN A 18 -12.038 -1.138 -4.730 1.00 0.00 O ATOM 67 CB ASN A 18 -11.905 1.404 -6.694 1.00 0.00 C ATOM 68 CG ASN A 18 -11.059 2.195 -7.683 1.00 0.00 C ATOM 69 OD1 ASN A 18 -10.113 2.909 -7.370 1.00 0.00 O ATOM 70 ND2 ASN A 18 -11.290 1.929 -8.950 1.00 0.00 N ATOM 0 H ASN A 18 -9.911 -0.022 -6.693 1.00 0.00 H new ATOM 0 HA ASN A 18 -10.937 1.889 -4.828 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -12.264 0.502 -7.190 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -12.783 1.997 -6.438 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -10.682 2.317 -9.672 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -12.077 1.335 -9.211 1.00 0.00 H new ATOM 77 N ASP A 19 -13.206 0.653 -4.081 1.00 0.00 N ATOM 78 CA ASP A 19 -14.245 -0.088 -3.317 1.00 0.00 C ATOM 79 C ASP A 19 -14.746 -1.391 -3.975 1.00 0.00 C ATOM 80 O ASP A 19 -14.863 -2.425 -3.318 1.00 0.00 O ATOM 81 CB ASP A 19 -15.435 0.810 -2.984 1.00 0.00 C ATOM 82 CG ASP A 19 -15.196 1.644 -1.725 1.00 0.00 C ATOM 83 OD1 ASP A 19 -15.855 1.345 -0.703 1.00 0.00 O ATOM 84 OD2 ASP A 19 -14.367 2.581 -1.783 1.00 0.00 O ATOM 0 H ASP A 19 -13.391 1.654 -4.153 1.00 0.00 H new ATOM 0 HA ASP A 19 -13.733 -0.394 -2.405 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -15.633 1.474 -3.825 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -16.325 0.195 -2.847 1.00 0.00 H new ATOM 90 N SER A 20 -14.912 -1.315 -5.286 1.00 0.00 N ATOM 91 CA SER A 20 -15.254 -2.455 -6.167 1.00 0.00 C ATOM 92 C SER A 20 -14.108 -3.485 -6.229 1.00 0.00 C ATOM 93 O SER A 20 -14.240 -4.575 -5.654 1.00 0.00 O ATOM 94 CB SER A 20 -15.587 -1.876 -7.556 1.00 0.00 C ATOM 95 OG SER A 20 -14.675 -0.807 -7.855 1.00 0.00 O ATOM 0 H SER A 20 -14.813 -0.437 -5.796 1.00 0.00 H new ATOM 0 HA SER A 20 -16.114 -2.997 -5.774 1.00 0.00 H new ATOM 0 HB2 SER A 20 -15.514 -2.655 -8.315 1.00 0.00 H new ATOM 0 HB3 SER A 20 -16.613 -1.510 -7.574 1.00 0.00 H new ATOM 0 HG SER A 20 -14.883 -0.437 -8.739 1.00 0.00 H new ATOM 101 N SER A 21 -12.938 -3.086 -6.727 1.00 0.00 N ATOM 102 CA SER A 21 -11.746 -3.960 -6.795 1.00 0.00 C ATOM 103 C SER A 21 -11.124 -4.406 -5.471 1.00 0.00 C ATOM 104 O SER A 21 -10.453 -5.426 -5.449 1.00 0.00 O ATOM 105 CB SER A 21 -10.638 -3.453 -7.725 1.00 0.00 C ATOM 106 OG SER A 21 -10.499 -2.030 -7.698 1.00 0.00 O ATOM 0 H SER A 21 -12.780 -2.149 -7.097 1.00 0.00 H new ATOM 0 HA SER A 21 -12.204 -4.850 -7.226 1.00 0.00 H new ATOM 0 HB2 SER A 21 -9.691 -3.911 -7.438 1.00 0.00 H new ATOM 0 HB3 SER A 21 -10.851 -3.773 -8.745 1.00 0.00 H new ATOM 0 HG SER A 21 -9.572 -1.788 -7.904 1.00 0.00 H new ATOM 112 N TRP A 22 -11.430 -3.716 -4.373 1.00 0.00 N ATOM 113 CA TRP A 22 -10.944 -4.068 -3.014 1.00 0.00 C ATOM 114 C TRP A 22 -11.238 -5.527 -2.652 1.00 0.00 C ATOM 115 O TRP A 22 -10.335 -6.336 -2.466 1.00 0.00 O ATOM 116 CB TRP A 22 -11.608 -3.084 -2.063 1.00 0.00 C ATOM 117 CG TRP A 22 -11.123 -3.276 -0.630 1.00 0.00 C ATOM 118 CD1 TRP A 22 -11.727 -4.011 0.286 1.00 0.00 C ATOM 119 CD2 TRP A 22 -9.926 -2.820 -0.095 1.00 0.00 C ATOM 120 NE1 TRP A 22 -10.980 -4.071 1.389 1.00 0.00 N ATOM 121 CE2 TRP A 22 -9.865 -3.381 1.190 1.00 0.00 C ATOM 122 CE3 TRP A 22 -8.875 -2.014 -0.588 1.00 0.00 C ATOM 123 CZ2 TRP A 22 -8.733 -3.166 2.005 1.00 0.00 C ATOM 124 CZ3 TRP A 22 -7.740 -1.811 0.221 1.00 0.00 C ATOM 125 CH2 TRP A 22 -7.680 -2.382 1.508 1.00 0.00 C ATOM 0 H TRP A 22 -12.026 -2.888 -4.388 1.00 0.00 H new ATOM 0 HA TRP A 22 -9.858 -3.990 -2.954 1.00 0.00 H new ATOM 0 HB2 TRP A 22 -11.396 -2.065 -2.386 1.00 0.00 H new ATOM 0 HB3 TRP A 22 -12.690 -3.212 -2.102 1.00 0.00 H new ATOM 0 HD1 TRP A 22 -12.685 -4.493 0.160 1.00 0.00 H new ATOM 0 HE1 TRP A 22 -11.226 -4.567 2.246 1.00 0.00 H new ATOM 0 HE3 TRP A 22 -8.941 -1.562 -1.567 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 -8.678 -3.597 2.994 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 -6.915 -1.217 -0.145 1.00 0.00 H new ATOM 0 HH2 TRP A 22 -6.808 -2.213 2.123 1.00 0.00 H new ATOM 136 N LYS A 23 -12.499 -5.900 -2.799 1.00 0.00 N ATOM 137 CA LYS A 23 -12.961 -7.274 -2.526 1.00 0.00 C ATOM 138 C LYS A 23 -12.329 -8.327 -3.438 1.00 0.00 C ATOM 139 O LYS A 23 -11.837 -9.357 -2.977 1.00 0.00 O ATOM 140 CB LYS A 23 -14.483 -7.310 -2.581 1.00 0.00 C ATOM 141 CG LYS A 23 -15.001 -6.518 -1.379 1.00 0.00 C ATOM 142 CD LYS A 23 -16.430 -6.037 -1.608 1.00 0.00 C ATOM 143 CE LYS A 23 -16.919 -5.185 -0.444 1.00 0.00 C ATOM 144 NZ LYS A 23 -16.125 -3.948 -0.346 1.00 0.00 N ATOM 0 H LYS A 23 -13.238 -5.270 -3.109 1.00 0.00 H new ATOM 0 HA LYS A 23 -12.627 -7.543 -1.524 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -14.844 -6.874 -3.513 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -14.844 -8.338 -2.549 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -14.963 -7.142 -0.486 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -14.351 -5.662 -1.197 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -16.478 -5.459 -2.531 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -17.089 -6.896 -1.735 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -17.972 -4.939 -0.582 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -16.842 -5.749 0.486 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -16.639 -3.250 0.229 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -15.209 -4.158 0.100 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -15.966 -3.561 -1.298 1.00 0.00 H new ATOM 158 N GLU A 24 -12.033 -7.910 -4.654 1.00 0.00 N ATOM 159 CA GLU A 24 -11.443 -8.767 -5.703 1.00 0.00 C ATOM 160 C GLU A 24 -9.927 -8.901 -5.580 1.00 0.00 C ATOM 161 O GLU A 24 -9.386 -10.008 -5.586 1.00 0.00 O ATOM 162 CB GLU A 24 -11.783 -8.227 -7.083 1.00 0.00 C ATOM 163 CG GLU A 24 -13.281 -7.954 -7.176 1.00 0.00 C ATOM 164 CD GLU A 24 -13.621 -7.293 -8.521 1.00 0.00 C ATOM 165 OE1 GLU A 24 -13.475 -6.058 -8.592 1.00 0.00 O ATOM 166 OE2 GLU A 24 -13.934 -8.046 -9.462 1.00 0.00 O ATOM 0 H GLU A 24 -12.193 -6.951 -4.961 1.00 0.00 H new ATOM 0 HA GLU A 24 -11.876 -9.758 -5.566 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -11.224 -7.310 -7.273 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -11.487 -8.945 -7.848 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -13.835 -8.887 -7.072 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -13.591 -7.306 -6.356 1.00 0.00 H new ATOM 174 N PHE A 25 -9.252 -7.777 -5.377 1.00 0.00 N ATOM 175 CA PHE A 25 -7.779 -7.739 -5.306 1.00 0.00 C ATOM 176 C PHE A 25 -7.146 -7.982 -3.940 1.00 0.00 C ATOM 177 O PHE A 25 -6.219 -8.778 -3.819 1.00 0.00 O ATOM 178 CB PHE A 25 -7.245 -6.473 -5.979 1.00 0.00 C ATOM 179 CG PHE A 25 -7.142 -6.695 -7.492 1.00 0.00 C ATOM 180 CD1 PHE A 25 -5.945 -7.231 -8.023 1.00 0.00 C ATOM 181 CD2 PHE A 25 -8.215 -6.335 -8.334 1.00 0.00 C ATOM 182 CE1 PHE A 25 -5.805 -7.383 -9.416 1.00 0.00 C ATOM 183 CE2 PHE A 25 -8.083 -6.486 -9.733 1.00 0.00 C ATOM 184 CZ PHE A 25 -6.875 -7.003 -10.261 1.00 0.00 C ATOM 0 H PHE A 25 -9.697 -6.867 -5.256 1.00 0.00 H new ATOM 0 HA PHE A 25 -7.458 -8.618 -5.864 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -7.906 -5.632 -5.770 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -6.266 -6.218 -5.572 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -5.142 -7.522 -7.362 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -9.131 -5.947 -7.913 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -4.893 -7.784 -9.834 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -8.894 -6.210 -10.391 1.00 0.00 H new ATOM 0 HZ PHE A 25 -6.768 -7.110 -11.330 1.00 0.00 H new ATOM 194 N VAL A 26 -7.843 -7.508 -2.928 1.00 0.00 N ATOM 195 CA VAL A 26 -7.384 -7.622 -1.542 1.00 0.00 C ATOM 196 C VAL A 26 -7.994 -8.899 -0.935 1.00 0.00 C ATOM 197 O VAL A 26 -7.260 -9.853 -0.695 1.00 0.00 O ATOM 198 CB VAL A 26 -7.661 -6.350 -0.714 1.00 0.00 C ATOM 199 CG1 VAL A 26 -7.220 -6.486 0.745 1.00 0.00 C ATOM 200 CG2 VAL A 26 -6.929 -5.156 -1.319 1.00 0.00 C ATOM 0 H VAL A 26 -8.740 -7.034 -3.032 1.00 0.00 H new ATOM 0 HA VAL A 26 -6.298 -7.711 -1.523 1.00 0.00 H new ATOM 0 HB VAL A 26 -8.741 -6.201 -0.737 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -7.439 -5.561 1.279 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -7.758 -7.311 1.212 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -6.149 -6.682 0.784 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -7.133 -4.265 -0.725 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -5.857 -5.351 -1.324 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -7.274 -4.998 -2.341 1.00 0.00 H new ATOM 210 N LEU A 27 -9.324 -9.000 -0.981 1.00 0.00 N ATOM 211 CA LEU A 27 -9.989 -10.161 -0.364 1.00 0.00 C ATOM 212 C LEU A 27 -9.877 -11.448 -1.206 1.00 0.00 C ATOM 213 O LEU A 27 -10.084 -12.531 -0.663 1.00 0.00 O ATOM 214 CB LEU A 27 -11.461 -9.860 -0.007 1.00 0.00 C ATOM 215 CG LEU A 27 -11.717 -8.928 1.199 1.00 0.00 C ATOM 216 CD1 LEU A 27 -11.342 -9.612 2.512 1.00 0.00 C ATOM 217 CD2 LEU A 27 -11.100 -7.530 1.071 1.00 0.00 C ATOM 0 H LEU A 27 -9.947 -8.322 -1.420 1.00 0.00 H new ATOM 0 HA LEU A 27 -9.447 -10.348 0.563 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -11.938 -9.419 -0.882 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -11.963 -10.808 0.186 1.00 0.00 H new ATOM 0 HG LEU A 27 -12.791 -8.744 1.204 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -11.532 -8.933 3.343 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -11.941 -10.514 2.636 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -10.285 -9.877 2.495 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -11.331 -6.947 1.963 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -10.019 -7.618 0.965 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -11.511 -7.030 0.194 1.00 0.00 H new ATOM 229 N GLU A 28 -9.551 -11.323 -2.505 1.00 0.00 N ATOM 230 CA GLU A 28 -9.436 -12.520 -3.364 1.00 0.00 C ATOM 231 C GLU A 28 -8.112 -12.810 -4.091 1.00 0.00 C ATOM 232 O GLU A 28 -7.697 -13.966 -4.147 1.00 0.00 O ATOM 233 CB GLU A 28 -10.553 -12.558 -4.410 1.00 0.00 C ATOM 234 CG GLU A 28 -11.945 -12.761 -3.809 1.00 0.00 C ATOM 235 CD GLU A 28 -13.009 -12.437 -4.863 1.00 0.00 C ATOM 236 OE1 GLU A 28 -13.316 -11.237 -5.000 1.00 0.00 O ATOM 237 OE2 GLU A 28 -13.500 -13.393 -5.491 1.00 0.00 O ATOM 0 H GLU A 28 -9.367 -10.436 -2.974 1.00 0.00 H new ATOM 0 HA GLU A 28 -9.506 -13.303 -2.609 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -10.542 -11.626 -4.975 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -10.350 -13.362 -5.117 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -12.058 -13.790 -3.467 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -12.074 -12.119 -2.938 1.00 0.00 H new ATOM 245 N SER A 29 -7.328 -11.768 -4.386 1.00 0.00 N ATOM 246 CA SER A 29 -6.222 -11.912 -5.350 1.00 0.00 C ATOM 247 C SER A 29 -4.905 -11.936 -4.624 1.00 0.00 C ATOM 248 O SER A 29 -4.477 -10.968 -3.996 1.00 0.00 O ATOM 249 CB SER A 29 -6.206 -10.742 -6.335 1.00 0.00 C ATOM 250 OG SER A 29 -5.078 -10.798 -7.210 1.00 0.00 O ATOM 0 H SER A 29 -7.430 -10.836 -3.985 1.00 0.00 H new ATOM 0 HA SER A 29 -6.372 -12.845 -5.893 1.00 0.00 H new ATOM 0 HB2 SER A 29 -7.123 -10.751 -6.924 1.00 0.00 H new ATOM 0 HB3 SER A 29 -6.191 -9.802 -5.783 1.00 0.00 H new ATOM 0 HG SER A 29 -5.103 -10.036 -7.825 1.00 0.00 H new ATOM 256 N GLU A 30 -4.341 -13.126 -4.714 1.00 0.00 N ATOM 257 CA GLU A 30 -3.105 -13.493 -4.008 1.00 0.00 C ATOM 258 C GLU A 30 -3.170 -13.107 -2.523 1.00 0.00 C ATOM 259 O GLU A 30 -2.434 -12.254 -2.027 1.00 0.00 O ATOM 260 CB GLU A 30 -1.961 -12.828 -4.746 1.00 0.00 C ATOM 261 CG GLU A 30 -0.792 -13.792 -4.620 1.00 0.00 C ATOM 262 CD GLU A 30 0.425 -13.150 -5.256 1.00 0.00 C ATOM 263 OE1 GLU A 30 1.212 -12.570 -4.486 1.00 0.00 O ATOM 264 OE2 GLU A 30 0.578 -13.342 -6.484 1.00 0.00 O ATOM 0 H GLU A 30 -4.724 -13.881 -5.283 1.00 0.00 H new ATOM 0 HA GLU A 30 -2.958 -14.573 -4.008 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -2.216 -12.652 -5.791 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -1.721 -11.859 -4.309 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -0.598 -14.018 -3.572 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -1.024 -14.736 -5.112 1.00 0.00 H new ATOM 272 N VAL A 31 -4.346 -13.472 -2.016 1.00 0.00 N ATOM 273 CA VAL A 31 -4.845 -13.297 -0.626 1.00 0.00 C ATOM 274 C VAL A 31 -3.954 -12.650 0.457 1.00 0.00 C ATOM 275 O VAL A 31 -4.448 -11.671 1.032 1.00 0.00 O ATOM 276 CB VAL A 31 -5.735 -14.452 -0.125 1.00 0.00 C ATOM 277 CG1 VAL A 31 -7.134 -14.303 -0.722 1.00 0.00 C ATOM 278 CG2 VAL A 31 -5.186 -15.852 -0.386 1.00 0.00 C ATOM 0 H VAL A 31 -5.040 -13.936 -2.602 1.00 0.00 H new ATOM 0 HA VAL A 31 -5.490 -12.436 -0.802 1.00 0.00 H new ATOM 0 HB VAL A 31 -5.761 -14.365 0.961 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -7.768 -15.117 -0.371 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -7.562 -13.350 -0.412 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -7.071 -14.335 -1.810 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -5.883 -16.594 0.003 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -5.060 -15.999 -1.459 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -4.222 -15.964 0.111 1.00 0.00 H new ATOM 288 N PRO A 32 -2.699 -13.088 0.737 1.00 0.00 N ATOM 289 CA PRO A 32 -1.779 -12.292 1.569 1.00 0.00 C ATOM 290 C PRO A 32 -1.431 -11.005 0.829 1.00 0.00 C ATOM 291 O PRO A 32 -0.755 -11.003 -0.207 1.00 0.00 O ATOM 292 CB PRO A 32 -0.569 -13.197 1.860 1.00 0.00 C ATOM 293 CG PRO A 32 -0.602 -14.261 0.769 1.00 0.00 C ATOM 294 CD PRO A 32 -2.075 -14.370 0.362 1.00 0.00 C ATOM 0 HA PRO A 32 -2.210 -11.978 2.520 1.00 0.00 H new ATOM 0 HB2 PRO A 32 0.363 -12.632 1.832 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -0.640 -13.645 2.851 1.00 0.00 H new ATOM 0 HG2 PRO A 32 0.021 -13.976 -0.079 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -0.223 -15.215 1.137 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -2.171 -14.552 -0.708 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -2.559 -15.203 0.871 1.00 0.00 H new ATOM 302 N VAL A 33 -1.985 -9.909 1.320 1.00 0.00 N ATOM 303 CA VAL A 33 -1.978 -8.605 0.618 1.00 0.00 C ATOM 304 C VAL A 33 -1.358 -7.464 1.446 1.00 0.00 C ATOM 305 O VAL A 33 -1.184 -7.552 2.663 1.00 0.00 O ATOM 306 CB VAL A 33 -3.432 -8.322 0.166 1.00 0.00 C ATOM 307 CG1 VAL A 33 -3.719 -6.896 -0.305 1.00 0.00 C ATOM 308 CG2 VAL A 33 -3.874 -9.274 -0.943 1.00 0.00 C ATOM 0 H VAL A 33 -2.460 -9.883 2.223 1.00 0.00 H new ATOM 0 HA VAL A 33 -1.324 -8.657 -0.252 1.00 0.00 H new ATOM 0 HB VAL A 33 -4.002 -8.478 1.082 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -4.766 -6.813 -0.597 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -3.511 -6.197 0.505 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -3.084 -6.660 -1.159 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -4.899 -9.044 -1.233 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -3.218 -9.157 -1.806 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -3.821 -10.302 -0.583 1.00 0.00 H new ATOM 318 N MET A 34 -0.889 -6.471 0.702 1.00 0.00 N ATOM 319 CA MET A 34 -0.462 -5.169 1.241 1.00 0.00 C ATOM 320 C MET A 34 -1.114 -4.035 0.445 1.00 0.00 C ATOM 321 O MET A 34 -1.418 -4.176 -0.738 1.00 0.00 O ATOM 322 CB MET A 34 1.062 -5.061 1.145 1.00 0.00 C ATOM 323 CG MET A 34 1.546 -3.781 1.824 1.00 0.00 C ATOM 324 SD MET A 34 3.316 -3.393 1.542 1.00 0.00 S ATOM 325 CE MET A 34 4.031 -4.811 2.328 1.00 0.00 C ATOM 0 H MET A 34 -0.790 -6.540 -0.311 1.00 0.00 H new ATOM 0 HA MET A 34 -0.769 -5.089 2.284 1.00 0.00 H new ATOM 0 HB2 MET A 34 1.525 -5.928 1.616 1.00 0.00 H new ATOM 0 HB3 MET A 34 1.369 -5.064 0.099 1.00 0.00 H new ATOM 0 HG2 MET A 34 0.943 -2.946 1.468 1.00 0.00 H new ATOM 0 HG3 MET A 34 1.372 -3.866 2.897 1.00 0.00 H new ATOM 0 HE1 MET A 34 4.886 -4.501 2.929 1.00 0.00 H new ATOM 0 HE2 MET A 34 3.288 -5.284 2.970 1.00 0.00 H new ATOM 0 HE3 MET A 34 4.360 -5.521 1.569 1.00 0.00 H new ATOM 335 N VAL A 35 -1.379 -2.946 1.152 1.00 0.00 N ATOM 336 CA VAL A 35 -1.802 -1.652 0.574 1.00 0.00 C ATOM 337 C VAL A 35 -0.949 -0.501 1.107 1.00 0.00 C ATOM 338 O VAL A 35 -0.513 -0.539 2.242 1.00 0.00 O ATOM 339 CB VAL A 35 -3.275 -1.361 0.881 1.00 0.00 C ATOM 340 CG1 VAL A 35 -4.180 -2.280 0.075 1.00 0.00 C ATOM 341 CG2 VAL A 35 -3.633 -1.408 2.375 1.00 0.00 C ATOM 0 H VAL A 35 -1.308 -2.924 2.169 1.00 0.00 H new ATOM 0 HA VAL A 35 -1.668 -1.730 -0.505 1.00 0.00 H new ATOM 0 HB VAL A 35 -3.442 -0.327 0.578 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -5.222 -2.059 0.306 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -4.003 -2.123 -0.989 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -3.964 -3.318 0.329 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -4.694 -1.191 2.502 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -3.416 -2.400 2.770 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -3.044 -0.666 2.914 1.00 0.00 H new ATOM 351 N ASP A 36 -0.822 0.539 0.287 1.00 0.00 N ATOM 352 CA ASP A 36 -0.005 1.723 0.652 1.00 0.00 C ATOM 353 C ASP A 36 -0.738 2.930 1.269 1.00 0.00 C ATOM 354 O ASP A 36 -0.161 3.606 2.122 1.00 0.00 O ATOM 355 CB ASP A 36 0.813 2.202 -0.559 1.00 0.00 C ATOM 356 CG ASP A 36 0.097 2.899 -1.717 1.00 0.00 C ATOM 357 OD1 ASP A 36 -1.140 2.765 -1.838 1.00 0.00 O ATOM 358 OD2 ASP A 36 0.816 3.596 -2.470 1.00 0.00 O ATOM 0 H ASP A 36 -1.265 0.599 -0.630 1.00 0.00 H new ATOM 0 HA ASP A 36 0.624 1.345 1.458 1.00 0.00 H new ATOM 0 HB2 ASP A 36 1.578 2.884 -0.188 1.00 0.00 H new ATOM 0 HB3 ASP A 36 1.331 1.335 -0.968 1.00 0.00 H new ATOM 364 N PHE A 37 -1.964 3.160 0.811 1.00 0.00 N ATOM 365 CA PHE A 37 -2.781 4.373 0.990 1.00 0.00 C ATOM 366 C PHE A 37 -2.045 5.708 0.868 1.00 0.00 C ATOM 367 O PHE A 37 -1.119 6.029 1.611 1.00 0.00 O ATOM 368 CB PHE A 37 -3.583 4.440 2.296 1.00 0.00 C ATOM 369 CG PHE A 37 -4.804 3.517 2.329 1.00 0.00 C ATOM 370 CD1 PHE A 37 -4.654 2.174 2.736 1.00 0.00 C ATOM 371 CD2 PHE A 37 -6.076 4.043 2.059 1.00 0.00 C ATOM 372 CE1 PHE A 37 -5.798 1.351 2.869 1.00 0.00 C ATOM 373 CE2 PHE A 37 -7.226 3.230 2.184 1.00 0.00 C ATOM 374 CZ PHE A 37 -7.070 1.884 2.582 1.00 0.00 C ATOM 0 H PHE A 37 -2.457 2.455 0.263 1.00 0.00 H new ATOM 0 HA PHE A 37 -3.452 4.251 0.140 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -2.925 4.184 3.127 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -3.913 5.467 2.455 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -3.672 1.776 2.945 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -6.177 5.074 1.754 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -5.697 0.324 3.188 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -8.207 3.632 1.979 1.00 0.00 H new ATOM 0 HZ PHE A 37 -7.942 1.252 2.668 1.00 0.00 H new ATOM 384 N TRP A 38 -2.662 6.580 0.085 1.00 0.00 N ATOM 385 CA TRP A 38 -2.167 7.938 -0.133 1.00 0.00 C ATOM 386 C TRP A 38 -3.260 8.955 0.258 1.00 0.00 C ATOM 387 O TRP A 38 -4.442 8.606 0.290 1.00 0.00 O ATOM 388 CB TRP A 38 -1.649 8.092 -1.571 1.00 0.00 C ATOM 389 CG TRP A 38 -2.716 8.045 -2.667 1.00 0.00 C ATOM 390 CD1 TRP A 38 -2.821 7.085 -3.576 1.00 0.00 C ATOM 391 CD2 TRP A 38 -3.395 9.151 -3.176 1.00 0.00 C ATOM 392 NE1 TRP A 38 -3.456 7.531 -4.665 1.00 0.00 N ATOM 393 CE2 TRP A 38 -3.839 8.785 -4.464 1.00 0.00 C ATOM 394 CE3 TRP A 38 -3.682 10.431 -2.668 1.00 0.00 C ATOM 395 CZ2 TRP A 38 -4.575 9.686 -5.254 1.00 0.00 C ATOM 396 CZ3 TRP A 38 -4.403 11.339 -3.462 1.00 0.00 C ATOM 397 CH2 TRP A 38 -4.847 10.973 -4.750 1.00 0.00 C ATOM 0 H TRP A 38 -3.523 6.369 -0.420 1.00 0.00 H new ATOM 0 HA TRP A 38 -1.311 8.143 0.510 1.00 0.00 H new ATOM 0 HB2 TRP A 38 -1.117 9.041 -1.647 1.00 0.00 H new ATOM 0 HB3 TRP A 38 -0.922 7.303 -1.763 1.00 0.00 H new ATOM 0 HD1 TRP A 38 -2.445 6.080 -3.453 1.00 0.00 H new ATOM 0 HE1 TRP A 38 -3.620 6.992 -5.515 1.00 0.00 H new ATOM 0 HE3 TRP A 38 -3.352 10.713 -1.679 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 -4.927 9.395 -6.233 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 -4.619 12.327 -3.082 1.00 0.00 H new ATOM 0 HH2 TRP A 38 -5.397 11.682 -5.351 1.00 0.00 H new ATOM 408 N ALA A 39 -2.891 10.217 0.406 1.00 0.00 N ATOM 409 CA ALA A 39 -3.855 11.200 0.942 1.00 0.00 C ATOM 410 C ALA A 39 -4.158 12.361 -0.018 1.00 0.00 C ATOM 411 O ALA A 39 -3.221 12.919 -0.601 1.00 0.00 O ATOM 412 CB ALA A 39 -3.345 11.710 2.280 1.00 0.00 C ATOM 0 H ALA A 39 -1.969 10.588 0.176 1.00 0.00 H new ATOM 0 HA ALA A 39 -4.808 10.687 1.071 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -4.049 12.437 2.685 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -3.246 10.875 2.974 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -2.373 12.184 2.142 1.00 0.00 H new ATOM 418 N PRO A 40 -5.437 12.731 -0.150 1.00 0.00 N ATOM 419 CA PRO A 40 -5.880 13.856 -1.008 1.00 0.00 C ATOM 420 C PRO A 40 -5.158 15.157 -0.612 1.00 0.00 C ATOM 421 O PRO A 40 -4.686 15.888 -1.469 1.00 0.00 O ATOM 422 CB PRO A 40 -7.385 13.962 -0.764 1.00 0.00 C ATOM 423 CG PRO A 40 -7.800 12.556 -0.355 1.00 0.00 C ATOM 424 CD PRO A 40 -6.609 12.044 0.458 1.00 0.00 C ATOM 0 HA PRO A 40 -5.651 13.692 -2.061 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -7.611 14.687 0.018 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -7.912 14.287 -1.661 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -8.714 12.566 0.238 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -7.991 11.927 -1.224 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -6.712 12.290 1.515 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -6.516 10.960 0.390 1.00 0.00 H new ATOM 557 N ALA A 49 3.936 4.778 -4.130 1.00 0.00 N ATOM 558 CA ALA A 49 3.841 3.735 -5.171 1.00 0.00 C ATOM 559 C ALA A 49 5.149 3.044 -5.605 1.00 0.00 C ATOM 560 O ALA A 49 5.201 1.815 -5.530 1.00 0.00 O ATOM 561 CB ALA A 49 2.962 4.186 -6.352 1.00 0.00 C ATOM 0 HA ALA A 49 3.333 2.917 -4.661 1.00 0.00 H new ATOM 0 HB1 ALA A 49 2.917 3.391 -7.097 1.00 0.00 H new ATOM 0 HB2 ALA A 49 1.956 4.405 -5.994 1.00 0.00 H new ATOM 0 HB3 ALA A 49 3.390 5.082 -6.803 1.00 0.00 H new ATOM 567 N PRO A 50 6.252 3.778 -5.854 1.00 0.00 N ATOM 568 CA PRO A 50 7.580 3.189 -6.127 1.00 0.00 C ATOM 569 C PRO A 50 8.054 2.284 -4.986 1.00 0.00 C ATOM 570 O PRO A 50 8.256 1.096 -5.228 1.00 0.00 O ATOM 571 CB PRO A 50 8.543 4.357 -6.307 1.00 0.00 C ATOM 572 CG PRO A 50 7.688 5.632 -6.410 1.00 0.00 C ATOM 573 CD PRO A 50 6.239 5.207 -6.123 1.00 0.00 C ATOM 0 HA PRO A 50 7.533 2.560 -7.016 1.00 0.00 H new ATOM 0 HB2 PRO A 50 9.232 4.422 -5.465 1.00 0.00 H new ATOM 0 HB3 PRO A 50 9.147 4.224 -7.204 1.00 0.00 H new ATOM 0 HG2 PRO A 50 8.022 6.382 -5.693 1.00 0.00 H new ATOM 0 HG3 PRO A 50 7.773 6.078 -7.401 1.00 0.00 H new ATOM 0 HD2 PRO A 50 5.840 5.755 -5.269 1.00 0.00 H new ATOM 0 HD3 PRO A 50 5.597 5.432 -6.975 1.00 0.00 H new ATOM 581 N VAL A 51 8.005 2.752 -3.738 1.00 0.00 N ATOM 582 CA VAL A 51 8.367 1.941 -2.545 1.00 0.00 C ATOM 583 C VAL A 51 7.607 0.595 -2.541 1.00 0.00 C ATOM 584 O VAL A 51 8.228 -0.464 -2.504 1.00 0.00 O ATOM 585 CB VAL A 51 8.115 2.736 -1.249 1.00 0.00 C ATOM 586 CG1 VAL A 51 8.379 1.928 0.025 1.00 0.00 C ATOM 587 CG2 VAL A 51 8.976 4.004 -1.190 1.00 0.00 C ATOM 0 H VAL A 51 7.715 3.703 -3.512 1.00 0.00 H new ATOM 0 HA VAL A 51 9.432 1.715 -2.594 1.00 0.00 H new ATOM 0 HB VAL A 51 7.056 2.992 -1.284 1.00 0.00 H new ATOM 0 HG11 VAL A 51 8.181 2.550 0.898 1.00 0.00 H new ATOM 0 HG12 VAL A 51 7.725 1.056 0.045 1.00 0.00 H new ATOM 0 HG13 VAL A 51 9.419 1.602 0.040 1.00 0.00 H new ATOM 0 HG21 VAL A 51 8.772 4.539 -0.263 1.00 0.00 H new ATOM 0 HG22 VAL A 51 10.030 3.730 -1.226 1.00 0.00 H new ATOM 0 HG23 VAL A 51 8.738 4.645 -2.039 1.00 0.00 H new ATOM 597 N ILE A 52 6.319 0.673 -2.838 1.00 0.00 N ATOM 598 CA ILE A 52 5.427 -0.497 -2.953 1.00 0.00 C ATOM 599 C ILE A 52 5.797 -1.447 -4.095 1.00 0.00 C ATOM 600 O ILE A 52 5.983 -2.640 -3.882 1.00 0.00 O ATOM 601 CB ILE A 52 3.992 0.103 -2.970 1.00 0.00 C ATOM 602 CG1 ILE A 52 3.370 0.136 -1.570 1.00 0.00 C ATOM 603 CG2 ILE A 52 2.995 -0.579 -3.912 1.00 0.00 C ATOM 604 CD1 ILE A 52 4.308 0.382 -0.379 1.00 0.00 C ATOM 0 H ILE A 52 5.845 1.560 -3.011 1.00 0.00 H new ATOM 0 HA ILE A 52 5.521 -1.186 -2.114 1.00 0.00 H new ATOM 0 HB ILE A 52 4.159 1.109 -3.355 1.00 0.00 H new ATOM 0 HG12 ILE A 52 2.605 0.913 -1.561 1.00 0.00 H new ATOM 0 HG13 ILE A 52 2.862 -0.814 -1.406 1.00 0.00 H new ATOM 0 HG21 ILE A 52 2.029 -0.079 -3.843 1.00 0.00 H new ATOM 0 HG22 ILE A 52 3.362 -0.518 -4.936 1.00 0.00 H new ATOM 0 HG23 ILE A 52 2.884 -1.625 -3.628 1.00 0.00 H new ATOM 0 HD11 ILE A 52 3.731 0.379 0.546 1.00 0.00 H new ATOM 0 HD12 ILE A 52 5.060 -0.406 -0.340 1.00 0.00 H new ATOM 0 HD13 ILE A 52 4.800 1.348 -0.497 1.00 0.00 H new ATOM 616 N ASP A 53 6.119 -0.843 -5.239 1.00 0.00 N ATOM 617 CA ASP A 53 6.576 -1.590 -6.425 1.00 0.00 C ATOM 618 C ASP A 53 7.888 -2.358 -6.183 1.00 0.00 C ATOM 619 O ASP A 53 8.141 -3.410 -6.770 1.00 0.00 O ATOM 620 CB ASP A 53 6.687 -0.711 -7.679 1.00 0.00 C ATOM 621 CG ASP A 53 5.311 -0.315 -8.215 1.00 0.00 C ATOM 622 OD1 ASP A 53 5.035 0.902 -8.192 1.00 0.00 O ATOM 623 OD2 ASP A 53 4.582 -1.216 -8.689 1.00 0.00 O ATOM 0 H ASP A 53 6.073 0.167 -5.376 1.00 0.00 H new ATOM 0 HA ASP A 53 5.795 -2.328 -6.609 1.00 0.00 H new ATOM 0 HB2 ASP A 53 7.259 0.187 -7.445 1.00 0.00 H new ATOM 0 HB3 ASP A 53 7.238 -1.247 -8.452 1.00 0.00 H new ATOM 629 N GLU A 54 8.709 -1.777 -5.324 1.00 0.00 N ATOM 630 CA GLU A 54 9.975 -2.359 -4.831 1.00 0.00 C ATOM 631 C GLU A 54 9.807 -3.442 -3.757 1.00 0.00 C ATOM 632 O GLU A 54 10.461 -4.472 -3.847 1.00 0.00 O ATOM 633 CB GLU A 54 10.874 -1.300 -4.246 1.00 0.00 C ATOM 634 CG GLU A 54 11.872 -0.854 -5.314 1.00 0.00 C ATOM 635 CD GLU A 54 11.646 0.593 -5.734 1.00 0.00 C ATOM 636 OE1 GLU A 54 10.600 0.872 -6.346 1.00 0.00 O ATOM 637 OE2 GLU A 54 12.570 1.397 -5.456 1.00 0.00 O ATOM 0 H GLU A 54 8.518 -0.856 -4.929 1.00 0.00 H new ATOM 0 HA GLU A 54 10.410 -2.819 -5.719 1.00 0.00 H new ATOM 0 HB2 GLU A 54 10.283 -0.450 -3.904 1.00 0.00 H new ATOM 0 HB3 GLU A 54 11.402 -1.692 -3.377 1.00 0.00 H new ATOM 0 HG2 GLU A 54 12.887 -0.967 -4.932 1.00 0.00 H new ATOM 0 HG3 GLU A 54 11.785 -1.503 -6.186 1.00 0.00 H new ATOM 645 N LEU A 55 8.944 -3.184 -2.780 1.00 0.00 N ATOM 646 CA LEU A 55 8.642 -4.188 -1.741 1.00 0.00 C ATOM 647 C LEU A 55 8.186 -5.542 -2.310 1.00 0.00 C ATOM 648 O LEU A 55 8.541 -6.582 -1.766 1.00 0.00 O ATOM 649 CB LEU A 55 7.578 -3.628 -0.786 1.00 0.00 C ATOM 650 CG LEU A 55 8.093 -2.505 0.113 1.00 0.00 C ATOM 651 CD1 LEU A 55 6.919 -1.895 0.867 1.00 0.00 C ATOM 652 CD2 LEU A 55 9.143 -2.973 1.116 1.00 0.00 C ATOM 0 H LEU A 55 8.442 -2.302 -2.677 1.00 0.00 H new ATOM 0 HA LEU A 55 9.571 -4.383 -1.206 1.00 0.00 H new ATOM 0 HB2 LEU A 55 6.736 -3.257 -1.371 1.00 0.00 H new ATOM 0 HB3 LEU A 55 7.200 -4.438 -0.162 1.00 0.00 H new ATOM 0 HG LEU A 55 8.574 -1.771 -0.533 1.00 0.00 H new ATOM 0 HD11 LEU A 55 7.278 -1.092 1.511 1.00 0.00 H new ATOM 0 HD12 LEU A 55 6.198 -1.494 0.155 1.00 0.00 H new ATOM 0 HD13 LEU A 55 6.439 -2.662 1.476 1.00 0.00 H new ATOM 0 HD21 LEU A 55 9.468 -2.128 1.724 1.00 0.00 H new ATOM 0 HD22 LEU A 55 8.714 -3.740 1.761 1.00 0.00 H new ATOM 0 HD23 LEU A 55 9.999 -3.385 0.581 1.00 0.00 H new ATOM 664 N ALA A 56 7.686 -5.472 -3.543 1.00 0.00 N ATOM 665 CA ALA A 56 7.268 -6.643 -4.341 1.00 0.00 C ATOM 666 C ALA A 56 8.421 -7.645 -4.510 1.00 0.00 C ATOM 667 O ALA A 56 8.498 -8.644 -3.812 1.00 0.00 O ATOM 668 CB ALA A 56 6.741 -6.170 -5.707 1.00 0.00 C ATOM 0 H ALA A 56 7.554 -4.587 -4.032 1.00 0.00 H new ATOM 0 HA ALA A 56 6.469 -7.161 -3.811 1.00 0.00 H new ATOM 0 HB1 ALA A 56 6.432 -7.033 -6.297 1.00 0.00 H new ATOM 0 HB2 ALA A 56 5.888 -5.508 -5.558 1.00 0.00 H new ATOM 0 HB3 ALA A 56 7.529 -5.633 -6.235 1.00 0.00 H new ATOM 674 N LYS A 57 9.485 -7.174 -5.150 1.00 0.00 N ATOM 675 CA LYS A 57 10.672 -8.018 -5.426 1.00 0.00 C ATOM 676 C LYS A 57 11.582 -8.271 -4.214 1.00 0.00 C ATOM 677 O LYS A 57 12.122 -9.366 -4.069 1.00 0.00 O ATOM 678 CB LYS A 57 11.439 -7.452 -6.616 1.00 0.00 C ATOM 679 CG LYS A 57 11.829 -5.984 -6.406 1.00 0.00 C ATOM 680 CD LYS A 57 12.210 -5.335 -7.729 1.00 0.00 C ATOM 681 CE LYS A 57 12.611 -3.896 -7.450 1.00 0.00 C ATOM 682 NZ LYS A 57 12.149 -3.084 -8.575 1.00 0.00 N ATOM 0 H LYS A 57 9.563 -6.216 -5.492 1.00 0.00 H new ATOM 0 HA LYS A 57 10.295 -9.010 -5.675 1.00 0.00 H new ATOM 0 HB2 LYS A 57 12.338 -8.045 -6.782 1.00 0.00 H new ATOM 0 HB3 LYS A 57 10.829 -7.539 -7.515 1.00 0.00 H new ATOM 0 HG2 LYS A 57 10.997 -5.442 -5.956 1.00 0.00 H new ATOM 0 HG3 LYS A 57 12.665 -5.921 -5.710 1.00 0.00 H new ATOM 0 HD2 LYS A 57 13.033 -5.876 -8.195 1.00 0.00 H new ATOM 0 HD3 LYS A 57 11.372 -5.369 -8.425 1.00 0.00 H new ATOM 0 HE2 LYS A 57 12.166 -3.548 -6.518 1.00 0.00 H new ATOM 0 HE3 LYS A 57 13.692 -3.814 -7.337 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 12.408 -2.090 -8.415 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 12.594 -3.421 -9.452 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 11.115 -3.163 -8.659 1.00 0.00 H new ATOM 696 N GLU A 58 11.486 -7.374 -3.238 1.00 0.00 N ATOM 697 CA GLU A 58 12.324 -7.343 -2.021 1.00 0.00 C ATOM 698 C GLU A 58 12.226 -8.618 -1.164 1.00 0.00 C ATOM 699 O GLU A 58 13.225 -9.039 -0.576 1.00 0.00 O ATOM 700 CB GLU A 58 11.846 -6.120 -1.260 1.00 0.00 C ATOM 701 CG GLU A 58 12.916 -5.514 -0.366 1.00 0.00 C ATOM 702 CD GLU A 58 12.400 -4.219 0.265 1.00 0.00 C ATOM 703 OE1 GLU A 58 12.409 -4.175 1.522 1.00 0.00 O ATOM 704 OE2 GLU A 58 12.010 -3.314 -0.504 1.00 0.00 O ATOM 0 H GLU A 58 10.802 -6.618 -3.263 1.00 0.00 H new ATOM 0 HA GLU A 58 13.381 -7.295 -2.283 1.00 0.00 H new ATOM 0 HB2 GLU A 58 11.507 -5.367 -1.972 1.00 0.00 H new ATOM 0 HB3 GLU A 58 10.985 -6.393 -0.651 1.00 0.00 H new ATOM 0 HG2 GLU A 58 13.194 -6.223 0.414 1.00 0.00 H new ATOM 0 HG3 GLU A 58 13.815 -5.312 -0.948 1.00 0.00 H new ATOM 712 N TYR A 59 11.014 -9.163 -1.047 1.00 0.00 N ATOM 713 CA TYR A 59 10.797 -10.436 -0.331 1.00 0.00 C ATOM 714 C TYR A 59 10.161 -11.521 -1.203 1.00 0.00 C ATOM 715 O TYR A 59 9.363 -12.350 -0.747 1.00 0.00 O ATOM 716 CB TYR A 59 10.118 -10.241 1.049 1.00 0.00 C ATOM 717 CG TYR A 59 9.292 -8.965 1.225 1.00 0.00 C ATOM 718 CD1 TYR A 59 9.983 -7.775 1.559 1.00 0.00 C ATOM 719 CD2 TYR A 59 7.918 -8.969 0.957 1.00 0.00 C ATOM 720 CE1 TYR A 59 9.275 -6.556 1.609 1.00 0.00 C ATOM 721 CE2 TYR A 59 7.208 -7.760 1.010 1.00 0.00 C ATOM 722 CZ TYR A 59 7.884 -6.584 1.363 1.00 0.00 C ATOM 723 OH TYR A 59 7.147 -5.484 1.665 1.00 0.00 O ATOM 0 H TYR A 59 10.166 -8.750 -1.435 1.00 0.00 H new ATOM 0 HA TYR A 59 11.788 -10.827 -0.100 1.00 0.00 H new ATOM 0 HB2 TYR A 59 9.469 -11.097 1.235 1.00 0.00 H new ATOM 0 HB3 TYR A 59 10.892 -10.256 1.816 1.00 0.00 H new ATOM 0 HD1 TYR A 59 11.041 -7.800 1.773 1.00 0.00 H new ATOM 0 HD2 TYR A 59 7.411 -9.891 0.713 1.00 0.00 H new ATOM 0 HE1 TYR A 59 9.782 -5.628 1.829 1.00 0.00 H new ATOM 0 HE2 TYR A 59 6.153 -7.736 0.781 1.00 0.00 H new ATOM 0 HH TYR A 59 7.225 -5.290 2.623 1.00 0.00 H new ATOM 733 N SER A 60 10.628 -11.524 -2.444 1.00 0.00 N ATOM 734 CA SER A 60 10.222 -12.402 -3.565 1.00 0.00 C ATOM 735 C SER A 60 9.450 -13.696 -3.227 1.00 0.00 C ATOM 736 O SER A 60 10.002 -14.659 -2.693 1.00 0.00 O ATOM 737 CB SER A 60 11.402 -12.747 -4.484 1.00 0.00 C ATOM 738 OG SER A 60 11.628 -11.645 -5.368 1.00 0.00 O ATOM 0 H SER A 60 11.356 -10.868 -2.729 1.00 0.00 H new ATOM 0 HA SER A 60 9.492 -11.771 -4.072 1.00 0.00 H new ATOM 0 HB2 SER A 60 12.296 -12.948 -3.893 1.00 0.00 H new ATOM 0 HB3 SER A 60 11.187 -13.651 -5.053 1.00 0.00 H new ATOM 0 HG SER A 60 12.017 -10.898 -4.867 1.00 0.00 H new ATOM 744 N GLY A 61 8.215 -13.667 -3.712 1.00 0.00 N ATOM 745 CA GLY A 61 7.198 -14.719 -3.522 1.00 0.00 C ATOM 746 C GLY A 61 6.477 -14.494 -2.184 1.00 0.00 C ATOM 747 O GLY A 61 6.302 -15.404 -1.380 1.00 0.00 O ATOM 0 H GLY A 61 7.872 -12.886 -4.270 1.00 0.00 H new ATOM 0 HA2 GLY A 61 6.481 -14.699 -4.342 1.00 0.00 H new ATOM 0 HA3 GLY A 61 7.669 -15.702 -3.534 1.00 0.00 H new ATOM 751 N LYS A 62 5.844 -13.332 -2.136 1.00 0.00 N ATOM 752 CA LYS A 62 5.367 -12.715 -0.895 1.00 0.00 C ATOM 753 C LYS A 62 3.846 -12.396 -0.840 1.00 0.00 C ATOM 754 O LYS A 62 3.001 -13.229 -1.140 1.00 0.00 O ATOM 755 CB LYS A 62 6.316 -11.526 -0.640 1.00 0.00 C ATOM 756 CG LYS A 62 6.857 -10.737 -1.854 1.00 0.00 C ATOM 757 CD LYS A 62 5.815 -9.970 -2.657 1.00 0.00 C ATOM 758 CE LYS A 62 5.830 -10.364 -4.125 1.00 0.00 C ATOM 759 NZ LYS A 62 4.663 -9.719 -4.732 1.00 0.00 N ATOM 0 H LYS A 62 5.641 -12.778 -2.968 1.00 0.00 H new ATOM 0 HA LYS A 62 5.415 -13.425 -0.069 1.00 0.00 H new ATOM 0 HB2 LYS A 62 5.796 -10.821 0.008 1.00 0.00 H new ATOM 0 HB3 LYS A 62 7.173 -11.901 -0.080 1.00 0.00 H new ATOM 0 HG2 LYS A 62 7.609 -10.031 -1.500 1.00 0.00 H new ATOM 0 HG3 LYS A 62 7.363 -11.434 -2.522 1.00 0.00 H new ATOM 0 HD2 LYS A 62 4.825 -10.157 -2.241 1.00 0.00 H new ATOM 0 HD3 LYS A 62 6.002 -8.900 -2.566 1.00 0.00 H new ATOM 0 HE2 LYS A 62 6.751 -10.036 -4.607 1.00 0.00 H new ATOM 0 HE3 LYS A 62 5.779 -11.447 -4.238 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 4.208 -10.378 -5.396 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 3.986 -9.455 -3.988 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 4.965 -8.866 -5.244 1.00 0.00 H new ATOM 773 N ILE A 63 3.605 -11.097 -0.743 1.00 0.00 N ATOM 774 CA ILE A 63 2.318 -10.422 -0.521 1.00 0.00 C ATOM 775 C ILE A 63 1.935 -9.560 -1.734 1.00 0.00 C ATOM 776 O ILE A 63 2.791 -8.985 -2.408 1.00 0.00 O ATOM 777 CB ILE A 63 2.375 -9.578 0.781 1.00 0.00 C ATOM 778 CG1 ILE A 63 3.696 -8.818 0.994 1.00 0.00 C ATOM 779 CG2 ILE A 63 2.103 -10.445 2.001 1.00 0.00 C ATOM 780 CD1 ILE A 63 3.846 -7.573 0.133 1.00 0.00 C ATOM 0 H ILE A 63 4.366 -10.423 -0.824 1.00 0.00 H new ATOM 0 HA ILE A 63 1.542 -11.178 -0.402 1.00 0.00 H new ATOM 0 HB ILE A 63 1.595 -8.826 0.657 1.00 0.00 H new ATOM 0 HG12 ILE A 63 3.772 -8.532 2.043 1.00 0.00 H new ATOM 0 HG13 ILE A 63 4.527 -9.492 0.786 1.00 0.00 H new ATOM 0 HG21 ILE A 63 2.148 -9.831 2.901 1.00 0.00 H new ATOM 0 HG22 ILE A 63 1.113 -10.892 1.916 1.00 0.00 H new ATOM 0 HG23 ILE A 63 2.853 -11.234 2.061 1.00 0.00 H new ATOM 0 HD11 ILE A 63 4.804 -7.097 0.345 1.00 0.00 H new ATOM 0 HD12 ILE A 63 3.804 -7.852 -0.920 1.00 0.00 H new ATOM 0 HD13 ILE A 63 3.038 -6.877 0.356 1.00 0.00 H new ATOM 792 N ALA A 64 0.633 -9.511 -2.030 1.00 0.00 N ATOM 793 CA ALA A 64 0.091 -8.703 -3.149 1.00 0.00 C ATOM 794 C ALA A 64 0.034 -7.213 -2.775 1.00 0.00 C ATOM 795 O ALA A 64 -0.894 -6.720 -2.121 1.00 0.00 O ATOM 796 CB ALA A 64 -1.271 -9.267 -3.550 1.00 0.00 C ATOM 0 H ALA A 64 -0.079 -10.024 -1.510 1.00 0.00 H new ATOM 0 HA ALA A 64 0.752 -8.768 -4.013 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -1.680 -8.680 -4.373 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -1.157 -10.304 -3.865 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -1.950 -9.219 -2.698 1.00 0.00 H new ATOM 802 N VAL A 65 1.150 -6.572 -3.060 1.00 0.00 N ATOM 803 CA VAL A 65 1.442 -5.156 -2.737 1.00 0.00 C ATOM 804 C VAL A 65 0.758 -4.161 -3.677 1.00 0.00 C ATOM 805 O VAL A 65 1.039 -4.078 -4.866 1.00 0.00 O ATOM 806 CB VAL A 65 2.958 -4.971 -2.569 1.00 0.00 C ATOM 807 CG1 VAL A 65 3.756 -5.210 -3.859 1.00 0.00 C ATOM 808 CG2 VAL A 65 3.337 -3.618 -1.980 1.00 0.00 C ATOM 0 H VAL A 65 1.923 -7.028 -3.544 1.00 0.00 H new ATOM 0 HA VAL A 65 0.987 -4.910 -1.777 1.00 0.00 H new ATOM 0 HB VAL A 65 3.235 -5.747 -1.855 1.00 0.00 H new ATOM 0 HG11 VAL A 65 4.818 -5.061 -3.663 1.00 0.00 H new ATOM 0 HG12 VAL A 65 3.590 -6.230 -4.206 1.00 0.00 H new ATOM 0 HG13 VAL A 65 3.427 -4.509 -4.626 1.00 0.00 H new ATOM 0 HG21 VAL A 65 4.421 -3.552 -1.888 1.00 0.00 H new ATOM 0 HG22 VAL A 65 2.980 -2.823 -2.635 1.00 0.00 H new ATOM 0 HG23 VAL A 65 2.882 -3.509 -0.996 1.00 0.00 H new ATOM 818 N TYR A 66 -0.132 -3.393 -3.064 1.00 0.00 N ATOM 819 CA TYR A 66 -1.068 -2.514 -3.788 1.00 0.00 C ATOM 820 C TYR A 66 -1.009 -1.019 -3.485 1.00 0.00 C ATOM 821 O TYR A 66 -0.590 -0.561 -2.429 1.00 0.00 O ATOM 822 CB TYR A 66 -2.487 -3.005 -3.495 1.00 0.00 C ATOM 823 CG TYR A 66 -2.821 -4.409 -3.995 1.00 0.00 C ATOM 824 CD1 TYR A 66 -2.144 -4.999 -5.085 1.00 0.00 C ATOM 825 CD2 TYR A 66 -3.868 -5.087 -3.336 1.00 0.00 C ATOM 826 CE1 TYR A 66 -2.532 -6.270 -5.542 1.00 0.00 C ATOM 827 CE2 TYR A 66 -4.242 -6.368 -3.779 1.00 0.00 C ATOM 828 CZ TYR A 66 -3.577 -6.939 -4.885 1.00 0.00 C ATOM 829 OH TYR A 66 -3.905 -8.206 -5.272 1.00 0.00 O ATOM 0 H TYR A 66 -0.233 -3.355 -2.050 1.00 0.00 H new ATOM 0 HA TYR A 66 -0.767 -2.588 -4.833 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -2.646 -2.976 -2.417 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -3.193 -2.304 -3.940 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -1.331 -4.475 -5.566 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -4.376 -4.628 -2.501 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -2.034 -6.725 -6.385 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -5.031 -6.910 -3.278 1.00 0.00 H new ATOM 0 HH TYR A 66 -4.717 -8.491 -4.803 1.00 0.00 H new ATOM 839 N LYS A 67 -1.699 -0.324 -4.377 1.00 0.00 N ATOM 840 CA LYS A 67 -1.920 1.130 -4.319 1.00 0.00 C ATOM 841 C LYS A 67 -3.358 1.503 -4.673 1.00 0.00 C ATOM 842 O LYS A 67 -3.979 0.864 -5.533 1.00 0.00 O ATOM 843 CB LYS A 67 -0.927 1.944 -5.168 1.00 0.00 C ATOM 844 CG LYS A 67 -0.874 1.571 -6.653 1.00 0.00 C ATOM 845 CD LYS A 67 0.196 0.519 -6.931 1.00 0.00 C ATOM 846 CE LYS A 67 0.312 0.326 -8.444 1.00 0.00 C ATOM 847 NZ LYS A 67 1.508 -0.439 -8.780 1.00 0.00 N ATOM 0 H LYS A 67 -2.137 -0.760 -5.188 1.00 0.00 H new ATOM 0 HA LYS A 67 -1.735 1.401 -3.280 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -1.184 3.000 -5.085 1.00 0.00 H new ATOM 0 HB3 LYS A 67 0.070 1.824 -4.745 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -1.847 1.194 -6.969 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -0.671 2.463 -7.246 1.00 0.00 H new ATOM 0 HD2 LYS A 67 1.153 0.835 -6.516 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -0.066 -0.423 -6.449 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -0.572 -0.190 -8.818 1.00 0.00 H new ATOM 0 HE3 LYS A 67 0.346 1.297 -8.937 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 1.566 -0.557 -9.812 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 2.351 0.068 -8.442 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 1.461 -1.374 -8.326 1.00 0.00 H new ATOM 861 N LEU A 68 -3.945 2.319 -3.813 1.00 0.00 N ATOM 862 CA LEU A 68 -5.282 2.869 -4.128 1.00 0.00 C ATOM 863 C LEU A 68 -5.423 4.387 -3.942 1.00 0.00 C ATOM 864 O LEU A 68 -4.937 4.970 -2.969 1.00 0.00 O ATOM 865 CB LEU A 68 -6.417 2.165 -3.370 1.00 0.00 C ATOM 866 CG LEU A 68 -6.343 2.285 -1.846 1.00 0.00 C ATOM 867 CD1 LEU A 68 -7.769 2.370 -1.291 1.00 0.00 C ATOM 868 CD2 LEU A 68 -5.560 1.146 -1.210 1.00 0.00 C ATOM 0 H LEU A 68 -3.548 2.615 -2.921 1.00 0.00 H new ATOM 0 HA LEU A 68 -5.376 2.665 -5.195 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -7.369 2.575 -3.707 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -6.413 1.108 -3.638 1.00 0.00 H new ATOM 0 HG LEU A 68 -5.797 3.193 -1.592 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -7.732 2.456 -0.205 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -8.270 3.244 -1.707 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -8.320 1.471 -1.565 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -5.538 1.279 -0.128 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -6.040 0.197 -1.449 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -4.541 1.145 -1.596 1.00 0.00 H new ATOM 880 N ASN A 69 -6.144 4.971 -4.896 1.00 0.00 N ATOM 881 CA ASN A 69 -6.554 6.380 -4.820 1.00 0.00 C ATOM 882 C ASN A 69 -7.682 6.488 -3.794 1.00 0.00 C ATOM 883 O ASN A 69 -8.786 6.008 -4.021 1.00 0.00 O ATOM 884 CB ASN A 69 -7.033 6.907 -6.182 1.00 0.00 C ATOM 885 CG ASN A 69 -5.951 6.937 -7.276 1.00 0.00 C ATOM 886 OD1 ASN A 69 -4.780 6.697 -7.062 1.00 0.00 O ATOM 887 ND2 ASN A 69 -6.345 7.164 -8.512 1.00 0.00 N ATOM 0 H ASN A 69 -6.461 4.490 -5.738 1.00 0.00 H new ATOM 0 HA ASN A 69 -5.698 6.986 -4.524 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -7.861 6.287 -6.526 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -7.424 7.916 -6.049 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -5.669 7.137 -9.276 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -7.326 7.367 -8.706 1.00 0.00 H new ATOM 894 N THR A 70 -7.350 7.024 -2.635 1.00 0.00 N ATOM 895 CA THR A 70 -8.337 7.253 -1.560 1.00 0.00 C ATOM 896 C THR A 70 -9.555 8.067 -1.994 1.00 0.00 C ATOM 897 O THR A 70 -10.688 7.707 -1.676 1.00 0.00 O ATOM 898 CB THR A 70 -7.671 7.941 -0.375 1.00 0.00 C ATOM 899 OG1 THR A 70 -6.814 8.993 -0.851 1.00 0.00 O ATOM 900 CG2 THR A 70 -6.924 6.899 0.447 1.00 0.00 C ATOM 0 H THR A 70 -6.402 7.316 -2.399 1.00 0.00 H new ATOM 0 HA THR A 70 -8.704 6.265 -1.281 1.00 0.00 H new ATOM 0 HB THR A 70 -8.413 8.403 0.276 1.00 0.00 H new ATOM 0 HG1 THR A 70 -6.013 9.042 -0.288 1.00 0.00 H new ATOM 0 HG21 THR A 70 -6.444 7.383 1.298 1.00 0.00 H new ATOM 0 HG22 THR A 70 -7.626 6.147 0.806 1.00 0.00 H new ATOM 0 HG23 THR A 70 -6.166 6.421 -0.174 1.00 0.00 H new ATOM 908 N ASP A 71 -9.303 9.042 -2.866 1.00 0.00 N ATOM 909 CA ASP A 71 -10.359 9.831 -3.532 1.00 0.00 C ATOM 910 C ASP A 71 -11.356 8.937 -4.299 1.00 0.00 C ATOM 911 O ASP A 71 -12.566 9.123 -4.213 1.00 0.00 O ATOM 912 CB ASP A 71 -9.766 10.843 -4.526 1.00 0.00 C ATOM 913 CG ASP A 71 -8.916 11.898 -3.808 1.00 0.00 C ATOM 914 OD1 ASP A 71 -7.685 11.672 -3.774 1.00 0.00 O ATOM 915 OD2 ASP A 71 -9.516 12.838 -3.260 1.00 0.00 O ATOM 0 H ASP A 71 -8.358 9.315 -3.137 1.00 0.00 H new ATOM 0 HA ASP A 71 -10.883 10.356 -2.733 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -9.154 10.319 -5.260 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -10.571 11.333 -5.073 1.00 0.00 H new ATOM 921 N GLU A 72 -10.806 7.891 -4.900 1.00 0.00 N ATOM 922 CA GLU A 72 -11.553 6.893 -5.703 1.00 0.00 C ATOM 923 C GLU A 72 -12.089 5.725 -4.858 1.00 0.00 C ATOM 924 O GLU A 72 -12.825 4.872 -5.355 1.00 0.00 O ATOM 925 CB GLU A 72 -10.553 6.390 -6.739 1.00 0.00 C ATOM 926 CG GLU A 72 -11.186 6.017 -8.074 1.00 0.00 C ATOM 927 CD GLU A 72 -10.080 5.696 -9.094 1.00 0.00 C ATOM 928 OE1 GLU A 72 -9.076 6.451 -9.126 1.00 0.00 O ATOM 929 OE2 GLU A 72 -10.297 4.759 -9.886 1.00 0.00 O ATOM 0 H GLU A 72 -9.806 7.695 -4.851 1.00 0.00 H new ATOM 0 HA GLU A 72 -12.437 7.347 -6.152 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -9.800 7.160 -6.907 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -10.035 5.519 -6.337 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -11.842 5.155 -7.950 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -11.804 6.838 -8.438 1.00 0.00 H new ATOM 937 N ALA A 73 -11.603 5.626 -3.625 1.00 0.00 N ATOM 938 CA ALA A 73 -12.032 4.611 -2.651 1.00 0.00 C ATOM 939 C ALA A 73 -12.351 5.239 -1.270 1.00 0.00 C ATOM 940 O ALA A 73 -11.744 4.875 -0.257 1.00 0.00 O ATOM 941 CB ALA A 73 -10.964 3.517 -2.594 1.00 0.00 C ATOM 0 H ALA A 73 -10.888 6.256 -3.262 1.00 0.00 H new ATOM 0 HA ALA A 73 -12.970 4.156 -2.969 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -11.263 2.753 -1.876 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -10.853 3.065 -3.580 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -10.013 3.952 -2.285 1.00 0.00 H new ATOM 947 N PRO A 74 -13.405 6.078 -1.203 1.00 0.00 N ATOM 948 CA PRO A 74 -13.794 6.772 0.039 1.00 0.00 C ATOM 949 C PRO A 74 -14.200 5.831 1.185 1.00 0.00 C ATOM 950 O PRO A 74 -13.519 5.819 2.210 1.00 0.00 O ATOM 951 CB PRO A 74 -14.919 7.733 -0.364 1.00 0.00 C ATOM 952 CG PRO A 74 -15.520 7.128 -1.633 1.00 0.00 C ATOM 953 CD PRO A 74 -14.360 6.386 -2.288 1.00 0.00 C ATOM 0 HA PRO A 74 -12.939 7.303 0.458 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -15.666 7.819 0.425 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -14.534 8.736 -0.549 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -16.342 6.452 -1.399 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -15.919 7.900 -2.291 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -14.706 5.473 -2.773 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -13.891 6.998 -3.058 1.00 0.00 H new ATOM 961 N GLY A 75 -14.969 4.806 0.827 1.00 0.00 N ATOM 962 CA GLY A 75 -15.519 3.777 1.729 1.00 0.00 C ATOM 963 C GLY A 75 -14.425 2.912 2.359 1.00 0.00 C ATOM 964 O GLY A 75 -14.445 2.639 3.562 1.00 0.00 O ATOM 0 H GLY A 75 -15.243 4.656 -0.144 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -16.097 4.259 2.517 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -16.208 3.140 1.173 1.00 0.00 H new ATOM 968 N ILE A 76 -13.427 2.571 1.550 1.00 0.00 N ATOM 969 CA ILE A 76 -12.240 1.847 1.994 1.00 0.00 C ATOM 970 C ILE A 76 -11.451 2.667 3.019 1.00 0.00 C ATOM 971 O ILE A 76 -11.378 2.298 4.194 1.00 0.00 O ATOM 972 CB ILE A 76 -11.432 1.467 0.735 1.00 0.00 C ATOM 973 CG1 ILE A 76 -12.214 0.568 -0.218 1.00 0.00 C ATOM 974 CG2 ILE A 76 -10.077 0.847 1.075 1.00 0.00 C ATOM 975 CD1 ILE A 76 -12.899 -0.643 0.440 1.00 0.00 C ATOM 0 H ILE A 76 -13.419 2.792 0.554 1.00 0.00 H new ATOM 0 HA ILE A 76 -12.503 0.930 2.520 1.00 0.00 H new ATOM 0 HB ILE A 76 -11.244 2.407 0.216 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -12.974 1.169 -0.717 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -11.535 0.206 -0.990 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -9.549 0.598 0.154 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -9.486 1.559 1.651 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -10.228 -0.059 1.662 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -13.428 -1.219 -0.319 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -12.147 -1.273 0.914 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -13.608 -0.296 1.192 1.00 0.00 H new ATOM 987 N ALA A 77 -11.156 3.902 2.632 1.00 0.00 N ATOM 988 CA ALA A 77 -10.484 4.886 3.501 1.00 0.00 C ATOM 989 C ALA A 77 -11.225 5.092 4.831 1.00 0.00 C ATOM 990 O ALA A 77 -10.591 5.012 5.883 1.00 0.00 O ATOM 991 CB ALA A 77 -10.345 6.203 2.724 1.00 0.00 C ATOM 0 H ALA A 77 -11.374 4.260 1.702 1.00 0.00 H new ATOM 0 HA ALA A 77 -9.497 4.508 3.768 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -9.850 6.945 3.351 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -9.753 6.034 1.825 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -11.334 6.567 2.444 1.00 0.00 H new ATOM 997 N THR A 78 -12.565 5.125 4.769 1.00 0.00 N ATOM 998 CA THR A 78 -13.423 5.200 5.967 1.00 0.00 C ATOM 999 C THR A 78 -13.191 3.978 6.870 1.00 0.00 C ATOM 1000 O THR A 78 -12.756 4.108 8.012 1.00 0.00 O ATOM 1001 CB THR A 78 -14.890 5.127 5.538 1.00 0.00 C ATOM 1002 OG1 THR A 78 -15.193 6.128 4.556 1.00 0.00 O ATOM 1003 CG2 THR A 78 -15.886 5.301 6.691 1.00 0.00 C ATOM 0 H THR A 78 -13.085 5.101 3.892 1.00 0.00 H new ATOM 0 HA THR A 78 -13.188 6.127 6.491 1.00 0.00 H new ATOM 0 HB THR A 78 -15.005 4.122 5.131 1.00 0.00 H new ATOM 0 HG1 THR A 78 -14.734 5.913 3.717 1.00 0.00 H new ATOM 0 HG21 THR A 78 -16.904 5.237 6.306 1.00 0.00 H new ATOM 0 HG22 THR A 78 -15.728 4.516 7.430 1.00 0.00 H new ATOM 0 HG23 THR A 78 -15.736 6.274 7.158 1.00 0.00 H new ATOM 1011 N GLN A 79 -13.470 2.810 6.304 1.00 0.00 N ATOM 1012 CA GLN A 79 -13.433 1.516 6.996 1.00 0.00 C ATOM 1013 C GLN A 79 -12.086 1.207 7.674 1.00 0.00 C ATOM 1014 O GLN A 79 -12.052 0.606 8.745 1.00 0.00 O ATOM 1015 CB GLN A 79 -13.769 0.411 5.992 1.00 0.00 C ATOM 1016 CG GLN A 79 -14.013 -0.986 6.589 1.00 0.00 C ATOM 1017 CD GLN A 79 -15.177 -1.041 7.592 1.00 0.00 C ATOM 1018 OE1 GLN A 79 -16.345 -1.057 7.249 1.00 0.00 O ATOM 1019 NE2 GLN A 79 -14.843 -1.021 8.866 1.00 0.00 N ATOM 0 H GLN A 79 -13.737 2.729 5.323 1.00 0.00 H new ATOM 0 HA GLN A 79 -14.169 1.564 7.798 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -14.659 0.709 5.437 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -12.954 0.340 5.272 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -14.212 -1.687 5.778 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -13.103 -1.322 7.085 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -13.859 -1.008 9.135 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -15.568 -1.019 9.583 1.00 0.00 H new ATOM 1028 N TYR A 80 -11.005 1.678 7.047 1.00 0.00 N ATOM 1029 CA TYR A 80 -9.629 1.456 7.522 1.00 0.00 C ATOM 1030 C TYR A 80 -9.043 2.636 8.312 1.00 0.00 C ATOM 1031 O TYR A 80 -7.854 2.663 8.628 1.00 0.00 O ATOM 1032 CB TYR A 80 -8.743 1.064 6.326 1.00 0.00 C ATOM 1033 CG TYR A 80 -9.204 -0.264 5.731 1.00 0.00 C ATOM 1034 CD1 TYR A 80 -9.299 -1.402 6.556 1.00 0.00 C ATOM 1035 CD2 TYR A 80 -9.874 -0.205 4.492 1.00 0.00 C ATOM 1036 CE1 TYR A 80 -10.113 -2.479 6.156 1.00 0.00 C ATOM 1037 CE2 TYR A 80 -10.700 -1.271 4.092 1.00 0.00 C ATOM 1038 CZ TYR A 80 -10.807 -2.403 4.932 1.00 0.00 C ATOM 1039 OH TYR A 80 -11.405 -3.532 4.478 1.00 0.00 O ATOM 0 H TYR A 80 -11.056 2.228 6.190 1.00 0.00 H new ATOM 0 HA TYR A 80 -9.657 0.639 8.242 1.00 0.00 H new ATOM 0 HB2 TYR A 80 -8.783 1.844 5.565 1.00 0.00 H new ATOM 0 HB3 TYR A 80 -7.704 0.985 6.646 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -8.753 -1.448 7.486 1.00 0.00 H new ATOM 0 HD2 TYR A 80 -9.753 0.656 3.852 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -10.205 -3.355 6.781 1.00 0.00 H new ATOM 0 HE2 TYR A 80 -11.243 -1.225 3.160 1.00 0.00 H new ATOM 0 HH TYR A 80 -12.040 -3.303 3.768 1.00 0.00 H new ATOM 1049 N ASN A 81 -9.927 3.595 8.606 1.00 0.00 N ATOM 1050 CA ASN A 81 -9.681 4.793 9.434 1.00 0.00 C ATOM 1051 C ASN A 81 -8.287 5.414 9.194 1.00 0.00 C ATOM 1052 O ASN A 81 -7.389 5.469 10.033 1.00 0.00 O ATOM 1053 CB ASN A 81 -9.955 4.402 10.889 1.00 0.00 C ATOM 1054 CG ASN A 81 -9.999 5.612 11.821 1.00 0.00 C ATOM 1055 OD1 ASN A 81 -8.896 5.861 12.475 1.00 0.00 O flip ATOM 1056 ND2 ASN A 81 -10.972 6.353 11.892 1.00 0.00 N flip ATOM 0 H ASN A 81 -10.885 3.560 8.257 1.00 0.00 H new ATOM 0 HA ASN A 81 -10.357 5.600 9.150 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -10.904 3.869 10.946 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -9.181 3.713 11.229 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -11.820 6.133 11.370 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -10.934 7.190 12.473 1.00 0.00 H new ATOM 1063 N ILE A 82 -8.125 5.781 7.922 1.00 0.00 N ATOM 1064 CA ILE A 82 -6.883 6.419 7.434 1.00 0.00 C ATOM 1065 C ILE A 82 -6.912 7.903 7.805 1.00 0.00 C ATOM 1066 O ILE A 82 -7.878 8.620 7.566 1.00 0.00 O ATOM 1067 CB ILE A 82 -6.610 6.048 5.956 1.00 0.00 C ATOM 1068 CG1 ILE A 82 -7.482 6.782 4.942 1.00 0.00 C ATOM 1069 CG2 ILE A 82 -6.721 4.536 5.723 1.00 0.00 C ATOM 1070 CD1 ILE A 82 -6.967 8.191 4.683 1.00 0.00 C ATOM 0 H ILE A 82 -8.836 5.650 7.202 1.00 0.00 H new ATOM 0 HA ILE A 82 -5.995 6.030 7.932 1.00 0.00 H new ATOM 0 HB ILE A 82 -5.586 6.379 5.784 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -7.503 6.223 4.006 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -8.507 6.829 5.309 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -6.523 4.314 4.674 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -5.994 4.017 6.347 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -7.725 4.201 5.981 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -7.611 8.686 3.956 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -6.970 8.757 5.615 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -5.951 8.141 4.292 1.00 0.00 H new ATOM 1082 N ARG A 83 -6.006 8.160 8.723 1.00 0.00 N ATOM 1083 CA ARG A 83 -5.805 9.510 9.298 1.00 0.00 C ATOM 1084 C ARG A 83 -4.394 10.068 9.118 1.00 0.00 C ATOM 1085 O ARG A 83 -4.227 11.282 9.017 1.00 0.00 O ATOM 1086 CB ARG A 83 -6.081 9.502 10.801 1.00 0.00 C ATOM 1087 CG ARG A 83 -7.513 9.071 11.115 1.00 0.00 C ATOM 1088 CD ARG A 83 -7.749 9.340 12.590 1.00 0.00 C ATOM 1089 NE ARG A 83 -8.986 8.651 12.984 1.00 0.00 N ATOM 1090 CZ ARG A 83 -9.250 8.264 14.226 1.00 0.00 C ATOM 1091 NH1 ARG A 83 -8.454 8.562 15.242 1.00 0.00 N ATOM 1092 NH2 ARG A 83 -10.373 7.616 14.469 1.00 0.00 N ATOM 0 H ARG A 83 -5.378 7.452 9.104 1.00 0.00 H new ATOM 0 HA ARG A 83 -6.502 10.143 8.750 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -5.382 8.827 11.295 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -5.904 10.498 11.208 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -8.225 9.626 10.504 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -7.655 8.014 10.889 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -6.907 8.981 13.182 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -7.834 10.411 12.773 1.00 0.00 H new ATOM 0 HE ARG A 83 -9.681 8.459 12.262 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -7.606 9.106 15.083 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -8.689 8.247 16.183 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -11.023 7.419 13.708 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -10.591 7.312 15.418 1.00 0.00 H new ATOM 1106 N SER A 84 -3.437 9.166 8.911 1.00 0.00 N ATOM 1107 CA SER A 84 -2.020 9.574 8.968 1.00 0.00 C ATOM 1108 C SER A 84 -1.259 9.603 7.636 1.00 0.00 C ATOM 1109 O SER A 84 -0.568 10.589 7.395 1.00 0.00 O ATOM 1110 CB SER A 84 -1.248 8.786 10.030 1.00 0.00 C ATOM 1111 OG SER A 84 0.061 9.325 10.169 1.00 0.00 O ATOM 0 H SER A 84 -3.599 8.179 8.709 1.00 0.00 H new ATOM 0 HA SER A 84 -2.074 10.623 9.258 1.00 0.00 H new ATOM 0 HB2 SER A 84 -1.774 8.831 10.984 1.00 0.00 H new ATOM 0 HB3 SER A 84 -1.191 7.735 9.747 1.00 0.00 H new ATOM 0 HG SER A 84 0.552 8.820 10.850 1.00 0.00 H new ATOM 1117 N ILE A 85 -1.221 8.472 6.931 1.00 0.00 N ATOM 1118 CA ILE A 85 -0.598 8.296 5.593 1.00 0.00 C ATOM 1119 C ILE A 85 0.946 8.378 5.636 1.00 0.00 C ATOM 1120 O ILE A 85 1.498 9.344 6.165 1.00 0.00 O ATOM 1121 CB ILE A 85 -1.286 9.230 4.555 1.00 0.00 C ATOM 1122 CG1 ILE A 85 -2.721 8.767 4.272 1.00 0.00 C ATOM 1123 CG2 ILE A 85 -0.547 9.398 3.224 1.00 0.00 C ATOM 1124 CD1 ILE A 85 -3.742 9.345 5.253 1.00 0.00 C ATOM 0 H ILE A 85 -1.638 7.609 7.280 1.00 0.00 H new ATOM 0 HA ILE A 85 -0.779 7.278 5.248 1.00 0.00 H new ATOM 0 HB ILE A 85 -1.273 10.209 5.033 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -2.996 9.056 3.258 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -2.760 7.679 4.315 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -1.112 10.067 2.576 1.00 0.00 H new ATOM 0 HG22 ILE A 85 0.441 9.819 3.407 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -0.443 8.427 2.740 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -4.737 8.980 4.999 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -3.489 9.034 6.267 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -3.729 10.433 5.193 1.00 0.00 H new ATOM 1136 N PRO A 86 1.639 7.405 5.013 1.00 0.00 N ATOM 1137 CA PRO A 86 1.111 6.226 4.279 1.00 0.00 C ATOM 1138 C PRO A 86 0.608 5.148 5.233 1.00 0.00 C ATOM 1139 O PRO A 86 1.335 4.648 6.098 1.00 0.00 O ATOM 1140 CB PRO A 86 2.268 5.686 3.450 1.00 0.00 C ATOM 1141 CG PRO A 86 3.300 6.813 3.477 1.00 0.00 C ATOM 1142 CD PRO A 86 3.105 7.456 4.842 1.00 0.00 C ATOM 0 HA PRO A 86 0.263 6.515 3.658 1.00 0.00 H new ATOM 0 HB2 PRO A 86 2.670 4.767 3.876 1.00 0.00 H new ATOM 0 HB3 PRO A 86 1.956 5.455 2.432 1.00 0.00 H new ATOM 0 HG2 PRO A 86 4.313 6.430 3.357 1.00 0.00 H new ATOM 0 HG3 PRO A 86 3.132 7.528 2.671 1.00 0.00 H new ATOM 0 HD2 PRO A 86 3.624 6.907 5.627 1.00 0.00 H new ATOM 0 HD3 PRO A 86 3.481 8.479 4.866 1.00 0.00 H new ATOM 1150 N THR A 87 -0.646 4.789 5.010 1.00 0.00 N ATOM 1151 CA THR A 87 -1.363 3.806 5.837 1.00 0.00 C ATOM 1152 C THR A 87 -1.291 2.436 5.161 1.00 0.00 C ATOM 1153 O THR A 87 -2.113 2.030 4.344 1.00 0.00 O ATOM 1154 CB THR A 87 -2.778 4.296 6.157 1.00 0.00 C ATOM 1155 OG1 THR A 87 -2.662 5.619 6.678 1.00 0.00 O ATOM 1156 CG2 THR A 87 -3.443 3.425 7.217 1.00 0.00 C ATOM 0 H THR A 87 -1.207 5.169 4.247 1.00 0.00 H new ATOM 0 HA THR A 87 -0.886 3.693 6.811 1.00 0.00 H new ATOM 0 HB THR A 87 -3.383 4.258 5.251 1.00 0.00 H new ATOM 0 HG1 THR A 87 -2.114 5.604 7.490 1.00 0.00 H new ATOM 0 HG21 THR A 87 -4.446 3.801 7.420 1.00 0.00 H new ATOM 0 HG22 THR A 87 -3.506 2.398 6.857 1.00 0.00 H new ATOM 0 HG23 THR A 87 -2.853 3.452 8.133 1.00 0.00 H new ATOM 1164 N VAL A 88 -0.227 1.769 5.572 1.00 0.00 N ATOM 1165 CA VAL A 88 0.246 0.498 5.017 1.00 0.00 C ATOM 1166 C VAL A 88 -0.264 -0.661 5.877 1.00 0.00 C ATOM 1167 O VAL A 88 0.131 -0.833 7.030 1.00 0.00 O ATOM 1168 CB VAL A 88 1.784 0.491 4.880 1.00 0.00 C ATOM 1169 CG1 VAL A 88 2.240 -0.644 3.969 1.00 0.00 C ATOM 1170 CG2 VAL A 88 2.343 1.775 4.259 1.00 0.00 C ATOM 0 H VAL A 88 0.361 2.107 6.334 1.00 0.00 H new ATOM 0 HA VAL A 88 -0.155 0.373 4.011 1.00 0.00 H new ATOM 0 HB VAL A 88 2.154 0.381 5.899 1.00 0.00 H new ATOM 0 HG11 VAL A 88 3.327 -0.630 3.887 1.00 0.00 H new ATOM 0 HG12 VAL A 88 1.920 -1.598 4.388 1.00 0.00 H new ATOM 0 HG13 VAL A 88 1.800 -0.516 2.980 1.00 0.00 H new ATOM 0 HG21 VAL A 88 3.429 1.704 4.192 1.00 0.00 H new ATOM 0 HG22 VAL A 88 1.925 1.908 3.261 1.00 0.00 H new ATOM 0 HG23 VAL A 88 2.073 2.628 4.882 1.00 0.00 H new ATOM 1180 N LEU A 89 -1.291 -1.313 5.342 1.00 0.00 N ATOM 1181 CA LEU A 89 -1.936 -2.470 5.999 1.00 0.00 C ATOM 1182 C LEU A 89 -1.460 -3.788 5.372 1.00 0.00 C ATOM 1183 O LEU A 89 -1.348 -3.899 4.150 1.00 0.00 O ATOM 1184 CB LEU A 89 -3.471 -2.441 5.898 1.00 0.00 C ATOM 1185 CG LEU A 89 -4.148 -1.298 6.655 1.00 0.00 C ATOM 1186 CD1 LEU A 89 -4.120 0.017 5.875 1.00 0.00 C ATOM 1187 CD2 LEU A 89 -5.614 -1.659 6.882 1.00 0.00 C ATOM 0 H LEU A 89 -1.707 -1.064 4.444 1.00 0.00 H new ATOM 0 HA LEU A 89 -1.649 -2.405 7.048 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -3.749 -2.375 4.846 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -3.862 -3.387 6.273 1.00 0.00 H new ATOM 0 HG LEU A 89 -3.603 -1.163 7.589 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -4.613 0.796 6.457 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -3.086 0.306 5.686 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -4.640 -0.112 4.926 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -6.108 -0.851 7.421 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -6.105 -1.807 5.920 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -5.676 -2.577 7.466 1.00 0.00 H new ATOM 1199 N PHE A 90 -1.319 -4.794 6.236 1.00 0.00 N ATOM 1200 CA PHE A 90 -0.868 -6.146 5.873 1.00 0.00 C ATOM 1201 C PHE A 90 -2.005 -7.118 6.192 1.00 0.00 C ATOM 1202 O PHE A 90 -2.612 -7.093 7.271 1.00 0.00 O ATOM 1203 CB PHE A 90 0.410 -6.576 6.606 1.00 0.00 C ATOM 1204 CG PHE A 90 1.468 -5.463 6.697 1.00 0.00 C ATOM 1205 CD1 PHE A 90 1.960 -4.888 5.507 1.00 0.00 C ATOM 1206 CD2 PHE A 90 1.638 -4.816 7.943 1.00 0.00 C ATOM 1207 CE1 PHE A 90 2.592 -3.633 5.556 1.00 0.00 C ATOM 1208 CE2 PHE A 90 2.269 -3.561 7.991 1.00 0.00 C ATOM 1209 CZ PHE A 90 2.727 -2.972 6.797 1.00 0.00 C ATOM 0 H PHE A 90 -1.519 -4.693 7.231 1.00 0.00 H new ATOM 0 HA PHE A 90 -0.621 -6.150 4.811 1.00 0.00 H new ATOM 0 HB2 PHE A 90 0.150 -6.902 7.613 1.00 0.00 H new ATOM 0 HB3 PHE A 90 0.842 -7.436 6.094 1.00 0.00 H new ATOM 0 HD1 PHE A 90 1.852 -5.407 4.566 1.00 0.00 H new ATOM 0 HD2 PHE A 90 1.286 -5.283 8.851 1.00 0.00 H new ATOM 0 HE1 PHE A 90 2.971 -3.178 4.653 1.00 0.00 H new ATOM 0 HE2 PHE A 90 2.401 -3.053 8.935 1.00 0.00 H new ATOM 0 HZ PHE A 90 3.190 -1.997 6.831 1.00 0.00 H new ATOM 1219 N PHE A 91 -2.368 -7.786 5.121 1.00 0.00 N ATOM 1220 CA PHE A 91 -3.528 -8.700 5.054 1.00 0.00 C ATOM 1221 C PHE A 91 -3.187 -10.177 4.886 1.00 0.00 C ATOM 1222 O PHE A 91 -2.343 -10.562 4.081 1.00 0.00 O ATOM 1223 CB PHE A 91 -4.406 -8.280 3.872 1.00 0.00 C ATOM 1224 CG PHE A 91 -4.903 -6.850 3.980 1.00 0.00 C ATOM 1225 CD1 PHE A 91 -6.043 -6.583 4.761 1.00 0.00 C ATOM 1226 CD2 PHE A 91 -4.304 -5.836 3.196 1.00 0.00 C ATOM 1227 CE1 PHE A 91 -6.633 -5.301 4.722 1.00 0.00 C ATOM 1228 CE2 PHE A 91 -4.886 -4.554 3.163 1.00 0.00 C ATOM 1229 CZ PHE A 91 -6.052 -4.296 3.928 1.00 0.00 C ATOM 0 H PHE A 91 -1.862 -7.719 4.238 1.00 0.00 H new ATOM 0 HA PHE A 91 -4.029 -8.613 6.018 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -3.839 -8.393 2.948 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -5.262 -8.952 3.805 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -6.465 -7.355 5.387 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -3.409 -6.043 2.628 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -7.523 -5.094 5.297 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -4.448 -3.773 2.560 1.00 0.00 H new ATOM 0 HZ PHE A 91 -6.500 -3.314 3.900 1.00 0.00 H new ATOM 1239 N LYS A 92 -3.960 -10.951 5.626 1.00 0.00 N ATOM 1240 CA LYS A 92 -3.930 -12.427 5.588 1.00 0.00 C ATOM 1241 C LYS A 92 -4.772 -12.958 4.411 1.00 0.00 C ATOM 1242 O LYS A 92 -4.244 -13.305 3.360 1.00 0.00 O ATOM 1243 CB LYS A 92 -4.410 -12.947 6.948 1.00 0.00 C ATOM 1244 CG LYS A 92 -4.158 -14.445 7.147 1.00 0.00 C ATOM 1245 CD LYS A 92 -2.669 -14.760 7.183 1.00 0.00 C ATOM 1246 CE LYS A 92 -2.447 -16.237 7.508 1.00 0.00 C ATOM 1247 NZ LYS A 92 -1.002 -16.432 7.625 1.00 0.00 N ATOM 0 H LYS A 92 -4.643 -10.579 6.286 1.00 0.00 H new ATOM 0 HA LYS A 92 -2.917 -12.791 5.416 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -3.906 -12.393 7.740 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -5.477 -12.748 7.049 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -4.623 -14.773 8.077 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -4.630 -15.005 6.340 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -2.216 -14.520 6.221 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -2.177 -14.138 7.931 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -2.950 -16.508 8.436 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -2.860 -16.872 6.724 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -0.803 -17.428 7.847 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -0.544 -16.179 6.726 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -0.631 -15.827 8.385 1.00 0.00 H new ATOM 1261 N ASN A 93 -6.085 -13.020 4.610 1.00 0.00 N ATOM 1262 CA ASN A 93 -7.028 -13.396 3.537 1.00 0.00 C ATOM 1263 C ASN A 93 -7.864 -12.140 3.260 1.00 0.00 C ATOM 1264 O ASN A 93 -9.014 -12.010 3.681 1.00 0.00 O ATOM 1265 CB ASN A 93 -7.861 -14.602 3.994 1.00 0.00 C ATOM 1266 CG ASN A 93 -8.601 -15.274 2.825 1.00 0.00 C ATOM 1267 OD1 ASN A 93 -8.259 -16.356 2.367 1.00 0.00 O ATOM 1268 ND2 ASN A 93 -9.642 -14.635 2.350 1.00 0.00 N ATOM 0 H ASN A 93 -6.531 -12.816 5.504 1.00 0.00 H new ATOM 0 HA ASN A 93 -6.537 -13.710 2.616 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -7.209 -15.330 4.475 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -8.585 -14.279 4.742 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -10.183 -15.039 1.585 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -9.911 -13.734 2.745 1.00 0.00 H new ATOM 1275 N GLY A 94 -7.152 -11.165 2.690 1.00 0.00 N ATOM 1276 CA GLY A 94 -7.611 -9.759 2.564 1.00 0.00 C ATOM 1277 C GLY A 94 -8.058 -9.127 3.899 1.00 0.00 C ATOM 1278 O GLY A 94 -8.647 -8.051 3.919 1.00 0.00 O ATOM 0 H GLY A 94 -6.225 -11.321 2.294 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -6.804 -9.160 2.141 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -8.441 -9.719 1.858 1.00 0.00 H new ATOM 1282 N GLU A 95 -7.515 -9.695 4.975 1.00 0.00 N ATOM 1283 CA GLU A 95 -7.881 -9.408 6.374 1.00 0.00 C ATOM 1284 C GLU A 95 -6.679 -8.877 7.172 1.00 0.00 C ATOM 1285 O GLU A 95 -5.640 -9.527 7.248 1.00 0.00 O ATOM 1286 CB GLU A 95 -8.385 -10.727 6.971 1.00 0.00 C ATOM 1287 CG GLU A 95 -9.241 -10.489 8.205 1.00 0.00 C ATOM 1288 CD GLU A 95 -9.698 -11.819 8.789 1.00 0.00 C ATOM 1289 OE1 GLU A 95 -10.923 -12.059 8.765 1.00 0.00 O ATOM 1290 OE2 GLU A 95 -8.803 -12.558 9.255 1.00 0.00 O ATOM 0 H GLU A 95 -6.778 -10.396 4.900 1.00 0.00 H new ATOM 0 HA GLU A 95 -8.647 -8.633 6.418 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -8.965 -11.268 6.223 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -7.535 -11.358 7.232 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -8.672 -9.932 8.950 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -10.107 -9.880 7.945 1.00 0.00 H new ATOM 1298 N ARG A 96 -6.953 -7.843 7.955 1.00 0.00 N ATOM 1299 CA ARG A 96 -5.910 -7.051 8.623 1.00 0.00 C ATOM 1300 C ARG A 96 -5.250 -7.704 9.840 1.00 0.00 C ATOM 1301 O ARG A 96 -5.874 -8.057 10.829 1.00 0.00 O ATOM 1302 CB ARG A 96 -6.367 -5.662 9.110 1.00 0.00 C ATOM 1303 CG ARG A 96 -7.111 -4.782 8.114 1.00 0.00 C ATOM 1304 CD ARG A 96 -8.611 -5.026 8.223 1.00 0.00 C ATOM 1305 NE ARG A 96 -9.108 -5.737 7.029 1.00 0.00 N ATOM 1306 CZ ARG A 96 -10.309 -6.284 6.896 1.00 0.00 C ATOM 1307 NH1 ARG A 96 -11.246 -6.187 7.834 1.00 0.00 N ATOM 1308 NH2 ARG A 96 -10.620 -6.872 5.757 1.00 0.00 N ATOM 0 H ARG A 96 -7.902 -7.523 8.150 1.00 0.00 H new ATOM 0 HA ARG A 96 -5.194 -6.971 7.805 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -7.009 -5.804 9.980 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -5.486 -5.117 9.449 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -6.890 -3.732 8.307 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -6.772 -4.998 7.101 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -8.826 -5.611 9.117 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -9.133 -4.075 8.331 1.00 0.00 H new ATOM 0 HE ARG A 96 -8.471 -5.815 6.236 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -11.054 -5.677 8.696 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -12.157 -6.623 7.692 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -9.941 -6.901 4.996 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -11.539 -7.298 5.637 1.00 0.00 H new ATOM 1322 N LYS A 97 -3.942 -7.813 9.658 1.00 0.00 N ATOM 1323 CA LYS A 97 -3.007 -8.367 10.645 1.00 0.00 C ATOM 1324 C LYS A 97 -2.334 -7.216 11.418 1.00 0.00 C ATOM 1325 O LYS A 97 -2.228 -7.248 12.644 1.00 0.00 O ATOM 1326 CB LYS A 97 -1.936 -9.187 9.938 1.00 0.00 C ATOM 1327 CG LYS A 97 -2.596 -10.240 9.051 1.00 0.00 C ATOM 1328 CD LYS A 97 -1.563 -11.143 8.409 1.00 0.00 C ATOM 1329 CE LYS A 97 -0.691 -10.465 7.350 1.00 0.00 C ATOM 1330 NZ LYS A 97 0.107 -11.476 6.636 1.00 0.00 N ATOM 0 H LYS A 97 -3.482 -7.512 8.798 1.00 0.00 H new ATOM 0 HA LYS A 97 -3.556 -9.006 11.337 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -1.304 -8.535 9.336 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -1.290 -9.669 10.672 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -3.287 -10.838 9.645 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -3.185 -9.749 8.276 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -0.917 -11.545 9.189 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -2.075 -11.990 7.951 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -1.318 -9.920 6.645 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -0.032 -9.735 7.821 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 0.988 -11.043 6.292 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 0.335 -12.258 7.282 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -0.438 -11.842 5.829 1.00 0.00 H new ATOM 1344 N GLU A 98 -1.876 -6.225 10.654 1.00 0.00 N ATOM 1345 CA GLU A 98 -1.235 -5.014 11.189 1.00 0.00 C ATOM 1346 C GLU A 98 -1.450 -3.849 10.229 1.00 0.00 C ATOM 1347 O GLU A 98 -1.376 -4.005 9.007 1.00 0.00 O ATOM 1348 CB GLU A 98 0.262 -5.280 11.318 1.00 0.00 C ATOM 1349 CG GLU A 98 0.904 -4.455 12.439 1.00 0.00 C ATOM 1350 CD GLU A 98 2.401 -4.745 12.499 1.00 0.00 C ATOM 1351 OE1 GLU A 98 2.852 -5.145 13.603 1.00 0.00 O ATOM 1352 OE2 GLU A 98 3.089 -4.435 11.507 1.00 0.00 O ATOM 0 H GLU A 98 -1.938 -6.236 9.636 1.00 0.00 H new ATOM 0 HA GLU A 98 -1.666 -4.765 12.159 1.00 0.00 H new ATOM 0 HB2 GLU A 98 0.425 -6.340 11.511 1.00 0.00 H new ATOM 0 HB3 GLU A 98 0.753 -5.049 10.373 1.00 0.00 H new ATOM 0 HG2 GLU A 98 0.736 -3.392 12.263 1.00 0.00 H new ATOM 0 HG3 GLU A 98 0.438 -4.697 13.394 1.00 0.00 H new ATOM 1360 N SER A 99 -1.700 -2.691 10.833 1.00 0.00 N ATOM 1361 CA SER A 99 -1.939 -1.440 10.109 1.00 0.00 C ATOM 1362 C SER A 99 -0.955 -0.357 10.581 1.00 0.00 C ATOM 1363 O SER A 99 -1.017 0.121 11.713 1.00 0.00 O ATOM 1364 CB SER A 99 -3.378 -0.950 10.360 1.00 0.00 C ATOM 1365 OG SER A 99 -4.297 -2.014 10.084 1.00 0.00 O ATOM 0 H SER A 99 -1.743 -2.590 11.847 1.00 0.00 H new ATOM 0 HA SER A 99 -1.795 -1.626 9.045 1.00 0.00 H new ATOM 0 HB2 SER A 99 -3.487 -0.619 11.393 1.00 0.00 H new ATOM 0 HB3 SER A 99 -3.598 -0.091 9.726 1.00 0.00 H new ATOM 0 HG SER A 99 -5.213 -1.705 10.245 1.00 0.00 H new ATOM 1371 N ILE A 100 0.034 -0.122 9.735 1.00 0.00 N ATOM 1372 CA ILE A 100 1.046 0.933 9.953 1.00 0.00 C ATOM 1373 C ILE A 100 0.454 2.242 9.399 1.00 0.00 C ATOM 1374 O ILE A 100 0.266 2.420 8.205 1.00 0.00 O ATOM 1375 CB ILE A 100 2.377 0.429 9.343 1.00 0.00 C ATOM 1376 CG1 ILE A 100 3.339 -0.057 10.429 1.00 0.00 C ATOM 1377 CG2 ILE A 100 3.139 1.437 8.476 1.00 0.00 C ATOM 1378 CD1 ILE A 100 2.798 -1.156 11.350 1.00 0.00 C ATOM 0 H ILE A 100 0.170 -0.650 8.873 1.00 0.00 H new ATOM 0 HA ILE A 100 1.288 1.151 10.993 1.00 0.00 H new ATOM 0 HB ILE A 100 2.053 -0.380 8.689 1.00 0.00 H new ATOM 0 HG12 ILE A 100 4.245 -0.425 9.948 1.00 0.00 H new ATOM 0 HG13 ILE A 100 3.627 0.797 11.042 1.00 0.00 H new ATOM 0 HG21 ILE A 100 4.054 0.977 8.102 1.00 0.00 H new ATOM 0 HG22 ILE A 100 2.515 1.739 7.635 1.00 0.00 H new ATOM 0 HG23 ILE A 100 3.391 2.313 9.073 1.00 0.00 H new ATOM 0 HD11 ILE A 100 3.560 -1.426 12.081 1.00 0.00 H new ATOM 0 HD12 ILE A 100 1.910 -0.792 11.868 1.00 0.00 H new ATOM 0 HD13 ILE A 100 2.538 -2.033 10.757 1.00 0.00 H new ATOM 1390 N ILE A 101 -0.057 3.021 10.341 1.00 0.00 N ATOM 1391 CA ILE A 101 -0.768 4.285 10.063 1.00 0.00 C ATOM 1392 C ILE A 101 -0.037 5.328 9.187 1.00 0.00 C ATOM 1393 O ILE A 101 -0.683 6.003 8.386 1.00 0.00 O ATOM 1394 CB ILE A 101 -1.318 4.810 11.399 1.00 0.00 C ATOM 1395 CG1 ILE A 101 -2.681 5.483 11.204 1.00 0.00 C ATOM 1396 CG2 ILE A 101 -0.356 5.695 12.194 1.00 0.00 C ATOM 1397 CD1 ILE A 101 -3.782 4.431 11.022 1.00 0.00 C ATOM 0 H ILE A 101 0.005 2.801 11.335 1.00 0.00 H new ATOM 0 HA ILE A 101 -1.592 4.064 9.385 1.00 0.00 H new ATOM 0 HB ILE A 101 -1.445 3.925 12.023 1.00 0.00 H new ATOM 0 HG12 ILE A 101 -2.909 6.111 12.065 1.00 0.00 H new ATOM 0 HG13 ILE A 101 -2.648 6.137 10.333 1.00 0.00 H new ATOM 0 HG21 ILE A 101 -0.836 6.015 13.119 1.00 0.00 H new ATOM 0 HG22 ILE A 101 0.547 5.131 12.429 1.00 0.00 H new ATOM 0 HG23 ILE A 101 -0.093 6.571 11.601 1.00 0.00 H new ATOM 0 HD11 ILE A 101 -4.742 4.929 10.885 1.00 0.00 H new ATOM 0 HD12 ILE A 101 -3.561 3.821 10.146 1.00 0.00 H new ATOM 0 HD13 ILE A 101 -3.826 3.794 11.906 1.00 0.00 H new ATOM 1409 N GLY A 102 1.288 5.434 9.357 1.00 0.00 N ATOM 1410 CA GLY A 102 2.136 6.375 8.589 1.00 0.00 C ATOM 1411 C GLY A 102 3.600 5.957 8.655 1.00 0.00 C ATOM 1412 O GLY A 102 4.227 6.085 9.708 1.00 0.00 O ATOM 0 H GLY A 102 1.809 4.872 10.030 1.00 0.00 H new ATOM 0 HA2 GLY A 102 1.807 6.404 7.550 1.00 0.00 H new ATOM 0 HA3 GLY A 102 2.022 7.383 8.987 1.00 0.00 H new ATOM 1416 N ALA A 103 4.015 5.213 7.643 1.00 0.00 N ATOM 1417 CA ALA A 103 5.425 4.833 7.450 1.00 0.00 C ATOM 1418 C ALA A 103 5.756 4.638 5.967 1.00 0.00 C ATOM 1419 O ALA A 103 5.008 4.024 5.212 1.00 0.00 O ATOM 1420 CB ALA A 103 5.845 3.597 8.251 1.00 0.00 C ATOM 0 H ALA A 103 3.390 4.849 6.924 1.00 0.00 H new ATOM 0 HA ALA A 103 6.003 5.671 7.839 1.00 0.00 H new ATOM 0 HB1 ALA A 103 6.895 3.378 8.058 1.00 0.00 H new ATOM 0 HB2 ALA A 103 5.703 3.787 9.315 1.00 0.00 H new ATOM 0 HB3 ALA A 103 5.236 2.745 7.951 1.00 0.00 H new ATOM 1426 N VAL A 104 6.743 5.425 5.575 1.00 0.00 N ATOM 1427 CA VAL A 104 7.304 5.462 4.209 1.00 0.00 C ATOM 1428 C VAL A 104 8.726 4.861 4.010 1.00 0.00 C ATOM 1429 O VAL A 104 9.065 4.569 2.864 1.00 0.00 O ATOM 1430 CB VAL A 104 7.098 6.893 3.680 1.00 0.00 C ATOM 1431 CG1 VAL A 104 8.022 7.945 4.299 1.00 0.00 C ATOM 1432 CG2 VAL A 104 7.176 6.950 2.143 1.00 0.00 C ATOM 0 H VAL A 104 7.200 6.081 6.208 1.00 0.00 H new ATOM 0 HA VAL A 104 6.757 4.752 3.589 1.00 0.00 H new ATOM 0 HB VAL A 104 6.090 7.156 4.000 1.00 0.00 H new ATOM 0 HG11 VAL A 104 7.804 8.921 3.866 1.00 0.00 H new ATOM 0 HG12 VAL A 104 7.861 7.982 5.376 1.00 0.00 H new ATOM 0 HG13 VAL A 104 9.060 7.682 4.096 1.00 0.00 H new ATOM 0 HG21 VAL A 104 7.026 7.977 1.809 1.00 0.00 H new ATOM 0 HG22 VAL A 104 8.155 6.601 1.815 1.00 0.00 H new ATOM 0 HG23 VAL A 104 6.402 6.312 1.716 1.00 0.00 H new ATOM 1442 N PRO A 105 9.587 4.693 5.041 1.00 0.00 N ATOM 1443 CA PRO A 105 10.874 3.988 4.868 1.00 0.00 C ATOM 1444 C PRO A 105 10.597 2.510 4.656 1.00 0.00 C ATOM 1445 O PRO A 105 9.964 1.815 5.447 1.00 0.00 O ATOM 1446 CB PRO A 105 11.669 4.147 6.164 1.00 0.00 C ATOM 1447 CG PRO A 105 11.077 5.393 6.795 1.00 0.00 C ATOM 1448 CD PRO A 105 9.607 5.350 6.354 1.00 0.00 C ATOM 0 HA PRO A 105 11.424 4.392 4.018 1.00 0.00 H new ATOM 0 HB2 PRO A 105 11.557 3.278 6.812 1.00 0.00 H new ATOM 0 HB3 PRO A 105 12.735 4.264 5.969 1.00 0.00 H new ATOM 0 HG2 PRO A 105 11.172 5.377 7.881 1.00 0.00 H new ATOM 0 HG3 PRO A 105 11.576 6.297 6.445 1.00 0.00 H new ATOM 0 HD2 PRO A 105 9.002 4.799 7.073 1.00 0.00 H new ATOM 0 HD3 PRO A 105 9.191 6.355 6.292 1.00 0.00 H new ATOM 1456 N LYS A 106 11.123 2.093 3.524 1.00 0.00 N ATOM 1457 CA LYS A 106 11.115 0.706 3.040 1.00 0.00 C ATOM 1458 C LYS A 106 11.329 -0.337 4.138 1.00 0.00 C ATOM 1459 O LYS A 106 10.389 -1.031 4.520 1.00 0.00 O ATOM 1460 CB LYS A 106 12.311 0.625 2.107 1.00 0.00 C ATOM 1461 CG LYS A 106 12.074 -0.511 1.135 1.00 0.00 C ATOM 1462 CD LYS A 106 11.860 0.134 -0.227 1.00 0.00 C ATOM 1463 CE LYS A 106 13.172 0.743 -0.691 1.00 0.00 C ATOM 1464 NZ LYS A 106 12.827 1.135 -2.037 1.00 0.00 N ATOM 0 H LYS A 106 11.591 2.730 2.879 1.00 0.00 H new ATOM 0 HA LYS A 106 10.146 0.489 2.590 1.00 0.00 H new ATOM 0 HB2 LYS A 106 12.439 1.565 1.570 1.00 0.00 H new ATOM 0 HB3 LYS A 106 13.226 0.455 2.675 1.00 0.00 H new ATOM 0 HG2 LYS A 106 12.926 -1.190 1.115 1.00 0.00 H new ATOM 0 HG3 LYS A 106 11.205 -1.099 1.428 1.00 0.00 H new ATOM 0 HD2 LYS A 106 11.513 -0.608 -0.946 1.00 0.00 H new ATOM 0 HD3 LYS A 106 11.089 0.902 -0.164 1.00 0.00 H new ATOM 0 HE2 LYS A 106 13.473 1.592 -0.078 1.00 0.00 H new ATOM 0 HE3 LYS A 106 13.992 0.025 -0.667 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 13.645 1.594 -2.486 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 12.558 0.293 -2.586 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 12.028 1.801 -2.011 1.00 0.00 H new ATOM 1478 N SER A 107 12.470 -0.196 4.806 1.00 0.00 N ATOM 1479 CA SER A 107 12.961 -1.127 5.838 1.00 0.00 C ATOM 1480 C SER A 107 11.991 -1.296 7.012 1.00 0.00 C ATOM 1481 O SER A 107 11.828 -2.410 7.494 1.00 0.00 O ATOM 1482 CB SER A 107 14.336 -0.701 6.335 1.00 0.00 C ATOM 1483 OG SER A 107 14.253 0.669 6.758 1.00 0.00 O ATOM 0 H SER A 107 13.102 0.588 4.646 1.00 0.00 H new ATOM 0 HA SER A 107 13.038 -2.103 5.360 1.00 0.00 H new ATOM 0 HB2 SER A 107 14.655 -1.336 7.161 1.00 0.00 H new ATOM 0 HB3 SER A 107 15.078 -0.811 5.544 1.00 0.00 H new ATOM 0 HG SER A 107 15.129 0.964 7.084 1.00 0.00 H new ATOM 1489 N THR A 108 11.369 -0.210 7.443 1.00 0.00 N ATOM 1490 CA THR A 108 10.315 -0.216 8.484 1.00 0.00 C ATOM 1491 C THR A 108 9.064 -1.022 8.159 1.00 0.00 C ATOM 1492 O THR A 108 8.580 -1.814 8.964 1.00 0.00 O ATOM 1493 CB THR A 108 9.943 1.259 8.760 1.00 0.00 C ATOM 1494 OG1 THR A 108 11.143 1.953 9.099 1.00 0.00 O ATOM 1495 CG2 THR A 108 8.901 1.450 9.859 1.00 0.00 C ATOM 0 H THR A 108 11.575 0.722 7.083 1.00 0.00 H new ATOM 0 HA THR A 108 10.729 -0.723 9.356 1.00 0.00 H new ATOM 0 HB THR A 108 9.480 1.656 7.857 1.00 0.00 H new ATOM 0 HG1 THR A 108 10.937 2.894 9.278 1.00 0.00 H new ATOM 0 HG21 THR A 108 8.699 2.513 9.988 1.00 0.00 H new ATOM 0 HG22 THR A 108 7.981 0.936 9.581 1.00 0.00 H new ATOM 0 HG23 THR A 108 9.279 1.037 10.794 1.00 0.00 H new ATOM 1503 N LEU A 109 8.651 -0.846 6.914 1.00 0.00 N ATOM 1504 CA LEU A 109 7.519 -1.585 6.317 1.00 0.00 C ATOM 1505 C LEU A 109 7.924 -3.054 6.245 1.00 0.00 C ATOM 1506 O LEU A 109 7.352 -3.868 6.967 1.00 0.00 O ATOM 1507 CB LEU A 109 7.215 -1.091 4.902 1.00 0.00 C ATOM 1508 CG LEU A 109 6.940 0.422 4.901 1.00 0.00 C ATOM 1509 CD1 LEU A 109 7.044 1.011 3.496 1.00 0.00 C ATOM 1510 CD2 LEU A 109 5.616 0.774 5.580 1.00 0.00 C ATOM 0 H LEU A 109 9.087 -0.183 6.273 1.00 0.00 H new ATOM 0 HA LEU A 109 6.627 -1.435 6.926 1.00 0.00 H new ATOM 0 HB2 LEU A 109 8.056 -1.313 4.246 1.00 0.00 H new ATOM 0 HB3 LEU A 109 6.351 -1.623 4.504 1.00 0.00 H new ATOM 0 HG LEU A 109 7.722 0.887 5.502 1.00 0.00 H new ATOM 0 HD11 LEU A 109 6.843 2.082 3.535 1.00 0.00 H new ATOM 0 HD12 LEU A 109 8.047 0.844 3.105 1.00 0.00 H new ATOM 0 HD13 LEU A 109 6.315 0.529 2.844 1.00 0.00 H new ATOM 0 HD21 LEU A 109 5.469 1.854 5.553 1.00 0.00 H new ATOM 0 HD22 LEU A 109 4.796 0.283 5.056 1.00 0.00 H new ATOM 0 HD23 LEU A 109 5.638 0.437 6.616 1.00 0.00 H new ATOM 1522 N THR A 110 9.127 -3.280 5.716 1.00 0.00 N ATOM 1523 CA THR A 110 9.747 -4.608 5.613 1.00 0.00 C ATOM 1524 C THR A 110 9.811 -5.333 6.956 1.00 0.00 C ATOM 1525 O THR A 110 9.231 -6.399 7.113 1.00 0.00 O ATOM 1526 CB THR A 110 11.128 -4.529 4.956 1.00 0.00 C ATOM 1527 OG1 THR A 110 11.066 -3.653 3.833 1.00 0.00 O ATOM 1528 CG2 THR A 110 11.559 -5.927 4.503 1.00 0.00 C ATOM 0 H THR A 110 9.711 -2.534 5.339 1.00 0.00 H new ATOM 0 HA THR A 110 9.101 -5.204 4.968 1.00 0.00 H new ATOM 0 HB THR A 110 11.855 -4.146 5.672 1.00 0.00 H new ATOM 0 HG1 THR A 110 11.522 -4.066 3.070 1.00 0.00 H new ATOM 0 HG21 THR A 110 12.542 -5.871 4.035 1.00 0.00 H new ATOM 0 HG22 THR A 110 11.605 -6.591 5.366 1.00 0.00 H new ATOM 0 HG23 THR A 110 10.837 -6.315 3.785 1.00 0.00 H new ATOM 1536 N ASP A 111 10.246 -4.591 7.951 1.00 0.00 N ATOM 1537 CA ASP A 111 10.326 -5.028 9.349 1.00 0.00 C ATOM 1538 C ASP A 111 8.973 -5.579 9.854 1.00 0.00 C ATOM 1539 O ASP A 111 8.851 -6.762 10.145 1.00 0.00 O ATOM 1540 CB ASP A 111 10.759 -3.763 10.112 1.00 0.00 C ATOM 1541 CG ASP A 111 11.032 -3.989 11.593 1.00 0.00 C ATOM 1542 OD1 ASP A 111 10.280 -3.413 12.400 1.00 0.00 O ATOM 1543 OD2 ASP A 111 11.998 -4.737 11.881 1.00 0.00 O ATOM 0 H ASP A 111 10.567 -3.632 7.816 1.00 0.00 H new ATOM 0 HA ASP A 111 11.026 -5.852 9.490 1.00 0.00 H new ATOM 0 HB2 ASP A 111 11.659 -3.361 9.646 1.00 0.00 H new ATOM 0 HB3 ASP A 111 9.981 -3.006 10.009 1.00 0.00 H new ATOM 1549 N SER A 112 7.943 -4.746 9.670 1.00 0.00 N ATOM 1550 CA SER A 112 6.546 -5.079 9.989 1.00 0.00 C ATOM 1551 C SER A 112 5.908 -6.222 9.187 1.00 0.00 C ATOM 1552 O SER A 112 5.028 -6.912 9.689 1.00 0.00 O ATOM 1553 CB SER A 112 5.696 -3.828 9.781 1.00 0.00 C ATOM 1554 OG SER A 112 6.201 -2.773 10.592 1.00 0.00 O ATOM 0 H SER A 112 8.056 -3.806 9.289 1.00 0.00 H new ATOM 0 HA SER A 112 6.573 -5.434 11.019 1.00 0.00 H new ATOM 0 HB2 SER A 112 5.712 -3.534 8.731 1.00 0.00 H new ATOM 0 HB3 SER A 112 4.657 -4.034 10.038 1.00 0.00 H new ATOM 0 HG SER A 112 6.979 -2.368 10.155 1.00 0.00 H new ATOM 1560 N ILE A 113 6.391 -6.441 7.968 1.00 0.00 N ATOM 1561 CA ILE A 113 5.807 -7.470 7.063 1.00 0.00 C ATOM 1562 C ILE A 113 6.501 -8.841 7.210 1.00 0.00 C ATOM 1563 O ILE A 113 5.860 -9.890 7.097 1.00 0.00 O ATOM 1564 CB ILE A 113 5.545 -7.032 5.608 1.00 0.00 C ATOM 1565 CG1 ILE A 113 6.417 -7.668 4.523 1.00 0.00 C ATOM 1566 CG2 ILE A 113 5.557 -5.520 5.406 1.00 0.00 C ATOM 1567 CD1 ILE A 113 7.888 -7.326 4.604 1.00 0.00 C ATOM 0 H ILE A 113 7.180 -5.932 7.570 1.00 0.00 H new ATOM 0 HA ILE A 113 4.788 -7.601 7.428 1.00 0.00 H new ATOM 0 HB ILE A 113 4.538 -7.425 5.470 1.00 0.00 H new ATOM 0 HG12 ILE A 113 6.308 -8.751 4.578 1.00 0.00 H new ATOM 0 HG13 ILE A 113 6.041 -7.359 3.548 1.00 0.00 H new ATOM 0 HG21 ILE A 113 5.365 -5.291 4.358 1.00 0.00 H new ATOM 0 HG22 ILE A 113 4.783 -5.064 6.024 1.00 0.00 H new ATOM 0 HG23 ILE A 113 6.531 -5.122 5.692 1.00 0.00 H new ATOM 0 HD11 ILE A 113 8.422 -7.823 3.794 1.00 0.00 H new ATOM 0 HD12 ILE A 113 8.016 -6.247 4.515 1.00 0.00 H new ATOM 0 HD13 ILE A 113 8.287 -7.661 5.561 1.00 0.00 H new ATOM 1579 N GLU A 114 7.804 -8.787 7.407 1.00 0.00 N ATOM 1580 CA GLU A 114 8.637 -9.993 7.523 1.00 0.00 C ATOM 1581 C GLU A 114 8.272 -10.918 8.682 1.00 0.00 C ATOM 1582 O GLU A 114 8.317 -12.134 8.566 1.00 0.00 O ATOM 1583 CB GLU A 114 10.132 -9.638 7.591 1.00 0.00 C ATOM 1584 CG GLU A 114 10.519 -8.967 6.278 1.00 0.00 C ATOM 1585 CD GLU A 114 12.036 -8.859 6.125 1.00 0.00 C ATOM 1586 OE1 GLU A 114 12.536 -9.409 5.122 1.00 0.00 O ATOM 1587 OE2 GLU A 114 12.650 -8.171 6.962 1.00 0.00 O ATOM 0 H GLU A 114 8.324 -7.914 7.493 1.00 0.00 H new ATOM 0 HA GLU A 114 8.428 -10.553 6.612 1.00 0.00 H new ATOM 0 HB2 GLU A 114 10.327 -8.972 8.431 1.00 0.00 H new ATOM 0 HB3 GLU A 114 10.730 -10.536 7.751 1.00 0.00 H new ATOM 0 HG2 GLU A 114 10.109 -9.536 5.444 1.00 0.00 H new ATOM 0 HG3 GLU A 114 10.077 -7.972 6.234 1.00 0.00 H new ATOM 1595 N LYS A 115 7.740 -10.262 9.714 1.00 0.00 N ATOM 1596 CA LYS A 115 7.023 -10.813 10.871 1.00 0.00 C ATOM 1597 C LYS A 115 6.007 -11.909 10.457 1.00 0.00 C ATOM 1598 O LYS A 115 5.831 -12.920 11.127 1.00 0.00 O ATOM 1599 CB LYS A 115 6.295 -9.557 11.332 1.00 0.00 C ATOM 1600 CG LYS A 115 5.522 -9.702 12.643 1.00 0.00 C ATOM 1601 CD LYS A 115 4.604 -8.490 12.824 1.00 0.00 C ATOM 1602 CE LYS A 115 5.357 -7.200 13.196 1.00 0.00 C ATOM 1603 NZ LYS A 115 5.817 -7.280 14.597 1.00 0.00 N ATOM 0 H LYS A 115 7.804 -9.245 9.769 1.00 0.00 H new ATOM 0 HA LYS A 115 7.658 -11.299 11.612 1.00 0.00 H new ATOM 0 HB2 LYS A 115 7.023 -8.754 11.444 1.00 0.00 H new ATOM 0 HB3 LYS A 115 5.600 -9.250 10.550 1.00 0.00 H new ATOM 0 HG2 LYS A 115 4.934 -10.620 12.633 1.00 0.00 H new ATOM 0 HG3 LYS A 115 6.215 -9.777 13.481 1.00 0.00 H new ATOM 0 HD2 LYS A 115 4.049 -8.324 11.901 1.00 0.00 H new ATOM 0 HD3 LYS A 115 3.872 -8.711 13.601 1.00 0.00 H new ATOM 0 HE2 LYS A 115 6.209 -7.060 12.531 1.00 0.00 H new ATOM 0 HE3 LYS A 115 4.705 -6.336 13.066 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 6.189 -6.355 14.894 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 5.020 -7.545 15.210 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 6.567 -7.996 14.676 1.00 0.00 H new ATOM 1617 N TYR A 116 5.340 -11.629 9.338 1.00 0.00 N ATOM 1618 CA TYR A 116 4.310 -12.479 8.700 1.00 0.00 C ATOM 1619 C TYR A 116 4.899 -13.394 7.617 1.00 0.00 C ATOM 1620 O TYR A 116 4.455 -14.528 7.473 1.00 0.00 O ATOM 1621 CB TYR A 116 3.253 -11.554 8.089 1.00 0.00 C ATOM 1622 CG TYR A 116 2.643 -10.605 9.118 1.00 0.00 C ATOM 1623 CD1 TYR A 116 2.093 -11.139 10.302 1.00 0.00 C ATOM 1624 CD2 TYR A 116 2.684 -9.211 8.874 1.00 0.00 C ATOM 1625 CE1 TYR A 116 1.591 -10.271 11.284 1.00 0.00 C ATOM 1626 CE2 TYR A 116 2.174 -8.342 9.850 1.00 0.00 C ATOM 1627 CZ TYR A 116 1.644 -8.889 11.041 1.00 0.00 C ATOM 1628 OH TYR A 116 1.176 -8.061 12.010 1.00 0.00 O ATOM 0 H TYR A 116 5.503 -10.766 8.820 1.00 0.00 H new ATOM 0 HA TYR A 116 3.873 -13.132 9.455 1.00 0.00 H new ATOM 0 HB2 TYR A 116 3.705 -10.972 7.285 1.00 0.00 H new ATOM 0 HB3 TYR A 116 2.463 -12.156 7.641 1.00 0.00 H new ATOM 0 HD1 TYR A 116 2.058 -12.208 10.452 1.00 0.00 H new ATOM 0 HD2 TYR A 116 3.099 -8.824 7.955 1.00 0.00 H new ATOM 0 HE1 TYR A 116 1.175 -10.656 12.203 1.00 0.00 H new ATOM 0 HE2 TYR A 116 2.186 -7.273 9.694 1.00 0.00 H new ATOM 0 HH TYR A 116 1.896 -7.467 12.309 1.00 0.00 H new ATOM 1638 N LEU A 117 5.827 -12.857 6.829 1.00 0.00 N ATOM 1639 CA LEU A 117 6.629 -13.606 5.834 1.00 0.00 C ATOM 1640 C LEU A 117 7.839 -14.287 6.500 1.00 0.00 C ATOM 1641 O LEU A 117 8.943 -14.391 5.972 1.00 0.00 O ATOM 1642 CB LEU A 117 7.133 -12.674 4.724 1.00 0.00 C ATOM 1643 CG LEU A 117 6.121 -12.284 3.634 1.00 0.00 C ATOM 1644 CD1 LEU A 117 5.563 -13.515 2.922 1.00 0.00 C ATOM 1645 CD2 LEU A 117 5.009 -11.386 4.180 1.00 0.00 C ATOM 0 H LEU A 117 6.057 -11.864 6.857 1.00 0.00 H new ATOM 0 HA LEU A 117 5.979 -14.367 5.402 1.00 0.00 H new ATOM 0 HB2 LEU A 117 7.501 -11.759 5.189 1.00 0.00 H new ATOM 0 HB3 LEU A 117 7.986 -13.151 4.241 1.00 0.00 H new ATOM 0 HG LEU A 117 6.660 -11.697 2.890 1.00 0.00 H new ATOM 0 HD11 LEU A 117 4.851 -13.202 2.158 1.00 0.00 H new ATOM 0 HD12 LEU A 117 6.379 -14.066 2.454 1.00 0.00 H new ATOM 0 HD13 LEU A 117 5.060 -14.157 3.645 1.00 0.00 H new ATOM 0 HD21 LEU A 117 4.317 -11.135 3.376 1.00 0.00 H new ATOM 0 HD22 LEU A 117 4.472 -11.911 4.970 1.00 0.00 H new ATOM 0 HD23 LEU A 117 5.445 -10.472 4.583 1.00 0.00 H new