USER MOD reduce.3.24.130724 H: found=0, std=0, add=826, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 824 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 35 HIS : no HE2:sc= 0 X(o=0,f=-0.23) USER MOD Set 1.2: A 36 CYS SG : rot 180:sc= 0 USER MOD Set 2.1: A 7 THR OG1 : rot -115:sc= 0.378 USER MOD Set 2.2: A 10 ASN : amide:sc= 1.35 K(o=1.7,f=-4.1!) USER MOD Single : A 1 SER N :NH3+ 141:sc= 0.0614 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0.0191 USER MOD Single : A 13 SER OG : rot -63:sc= 1.19 USER MOD Single : A 16 SER OG : rot 180:sc=0.000183 USER MOD Single : A 18 THR OG1 : rot -93:sc= 1.27 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 24 MET CE :methyl -174:sc= 0 (180deg=-0.0638) USER MOD Single : A 33 CYS SG : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.00697) USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 THR OG1 : rot 76:sc= 1.15 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ -171:sc= 1.22 (180deg=1.16) USER MOD Single : A 62 THR OG1 : rot -22:sc= 1.32 USER MOD Single : A 64 ASN : amide:sc= 1.46 K(o=1.5,f=-5.1!) USER MOD Single : A 65 THR OG1 : rot -31:sc= 1.23 USER MOD Single : A 66 ASN : amide:sc= 0.682 K(o=0.68,f=-6!) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 ASN : amide:sc= 0.878 K(o=0.88,f=-0.081) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 THR OG1 : rot 109:sc= 0.891 USER MOD Single : A 80 LYS NZ :NH3+ -169:sc= 2.12 (180deg=1.92) USER MOD Single : A 91 TYR OH : rot 159:sc= 1.22 USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 102 SER OG : rot 78:sc= 1.24 USER MOD Single : A 103 HIS : no HE2:sc= 0.809 K(o=0.81,f=-3.2!) USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 GLN : amide:sc= 0.93 K(o=0.93,f=0) USER MOD Single : A 112 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -2.493 3.244 14.277 1.00 0.00 N ATOM 2 CA SER A 1 -2.243 2.789 12.883 1.00 0.00 C ATOM 3 C SER A 1 -1.974 1.284 12.824 1.00 0.00 C ATOM 4 O SER A 1 -1.537 0.682 13.810 1.00 0.00 O ATOM 5 CB SER A 1 -1.045 3.524 12.258 1.00 0.00 C ATOM 6 OG SER A 1 -1.159 4.929 12.449 1.00 0.00 O ATOM 0 H1 SER A 1 -2.041 4.169 14.427 1.00 0.00 H new ATOM 0 H2 SER A 1 -3.517 3.329 14.436 1.00 0.00 H new ATOM 0 H3 SER A 1 -2.095 2.553 14.944 1.00 0.00 H new ATOM 0 HA SER A 1 -3.146 3.019 12.318 1.00 0.00 H new ATOM 0 HB2 SER A 1 -0.118 3.165 12.706 1.00 0.00 H new ATOM 0 HB3 SER A 1 -0.991 3.300 11.193 1.00 0.00 H new ATOM 0 HG SER A 1 -0.387 5.378 12.046 1.00 0.00 H new ATOM 14 N ASP A 2 -2.174 0.679 11.652 1.00 0.00 N ATOM 15 CA ASP A 2 -1.797 -0.709 11.335 1.00 0.00 C ATOM 16 C ASP A 2 -1.002 -0.820 10.014 1.00 0.00 C ATOM 17 O ASP A 2 -0.204 -1.748 9.846 1.00 0.00 O ATOM 18 CB ASP A 2 -3.061 -1.585 11.301 1.00 0.00 C ATOM 19 CG ASP A 2 -2.700 -3.076 11.419 1.00 0.00 C ATOM 20 OD1 ASP A 2 -2.307 -3.516 12.526 1.00 0.00 O ATOM 21 OD2 ASP A 2 -2.816 -3.824 10.419 1.00 0.00 O ATOM 0 H ASP A 2 -2.618 1.154 10.867 1.00 0.00 H new ATOM 0 HA ASP A 2 -1.129 -1.066 12.119 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -3.726 -1.302 12.117 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -3.604 -1.411 10.372 1.00 0.00 H new ATOM 26 N VAL A 3 -1.152 0.151 9.104 1.00 0.00 N ATOM 27 CA VAL A 3 -0.324 0.315 7.894 1.00 0.00 C ATOM 28 C VAL A 3 1.094 0.748 8.286 1.00 0.00 C ATOM 29 O VAL A 3 1.265 1.639 9.126 1.00 0.00 O ATOM 30 CB VAL A 3 -0.954 1.378 6.970 1.00 0.00 C ATOM 31 CG1 VAL A 3 -0.125 1.627 5.705 1.00 0.00 C ATOM 32 CG2 VAL A 3 -2.360 0.987 6.492 1.00 0.00 C ATOM 0 H VAL A 3 -1.873 0.867 9.188 1.00 0.00 H new ATOM 0 HA VAL A 3 -0.274 -0.637 7.366 1.00 0.00 H new ATOM 0 HB VAL A 3 -0.993 2.275 7.588 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -0.615 2.384 5.092 1.00 0.00 H new ATOM 0 HG12 VAL A 3 0.870 1.975 5.984 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -0.039 0.700 5.138 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -2.755 1.770 5.845 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -2.308 0.050 5.937 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -3.016 0.862 7.354 1.00 0.00 H new ATOM 42 N LEU A 4 2.116 0.147 7.671 1.00 0.00 N ATOM 43 CA LEU A 4 3.518 0.524 7.863 1.00 0.00 C ATOM 44 C LEU A 4 3.821 1.916 7.282 1.00 0.00 C ATOM 45 O LEU A 4 3.778 2.115 6.068 1.00 0.00 O ATOM 46 CB LEU A 4 4.417 -0.521 7.191 1.00 0.00 C ATOM 47 CG LEU A 4 4.354 -1.942 7.765 1.00 0.00 C ATOM 48 CD1 LEU A 4 5.269 -2.835 6.925 1.00 0.00 C ATOM 49 CD2 LEU A 4 4.816 -1.995 9.222 1.00 0.00 C ATOM 0 H LEU A 4 1.991 -0.626 7.017 1.00 0.00 H new ATOM 0 HA LEU A 4 3.715 0.563 8.934 1.00 0.00 H new ATOM 0 HB2 LEU A 4 4.156 -0.567 6.134 1.00 0.00 H new ATOM 0 HB3 LEU A 4 5.448 -0.174 7.250 1.00 0.00 H new ATOM 0 HG LEU A 4 3.319 -2.281 7.733 1.00 0.00 H new ATOM 0 HD11 LEU A 4 5.241 -3.853 7.314 1.00 0.00 H new ATOM 0 HD12 LEU A 4 4.929 -2.833 5.890 1.00 0.00 H new ATOM 0 HD13 LEU A 4 6.290 -2.456 6.972 1.00 0.00 H new ATOM 0 HD21 LEU A 4 4.754 -3.021 9.586 1.00 0.00 H new ATOM 0 HD22 LEU A 4 5.847 -1.647 9.290 1.00 0.00 H new ATOM 0 HD23 LEU A 4 4.177 -1.355 9.830 1.00 0.00 H new ATOM 61 N GLU A 5 4.155 2.891 8.123 1.00 0.00 N ATOM 62 CA GLU A 5 4.589 4.216 7.687 1.00 0.00 C ATOM 63 C GLU A 5 6.094 4.200 7.359 1.00 0.00 C ATOM 64 O GLU A 5 6.942 4.286 8.257 1.00 0.00 O ATOM 65 CB GLU A 5 4.209 5.227 8.776 1.00 0.00 C ATOM 66 CG GLU A 5 4.408 6.650 8.268 1.00 0.00 C ATOM 67 CD GLU A 5 3.898 7.681 9.292 1.00 0.00 C ATOM 68 OE1 GLU A 5 2.671 7.956 9.305 1.00 0.00 O ATOM 69 OE2 GLU A 5 4.708 8.224 10.083 1.00 0.00 O ATOM 0 H GLU A 5 4.132 2.783 9.137 1.00 0.00 H new ATOM 0 HA GLU A 5 4.089 4.515 6.766 1.00 0.00 H new ATOM 0 HB2 GLU A 5 3.170 5.081 9.071 1.00 0.00 H new ATOM 0 HB3 GLU A 5 4.819 5.062 9.664 1.00 0.00 H new ATOM 0 HG2 GLU A 5 5.465 6.824 8.068 1.00 0.00 H new ATOM 0 HG3 GLU A 5 3.880 6.779 7.323 1.00 0.00 H new ATOM 76 N LEU A 6 6.422 4.035 6.073 1.00 0.00 N ATOM 77 CA LEU A 6 7.790 3.818 5.583 1.00 0.00 C ATOM 78 C LEU A 6 8.344 5.033 4.815 1.00 0.00 C ATOM 79 O LEU A 6 7.606 5.925 4.394 1.00 0.00 O ATOM 80 CB LEU A 6 7.831 2.545 4.710 1.00 0.00 C ATOM 81 CG LEU A 6 7.389 1.246 5.410 1.00 0.00 C ATOM 82 CD1 LEU A 6 7.589 0.045 4.474 1.00 0.00 C ATOM 83 CD2 LEU A 6 8.171 0.993 6.698 1.00 0.00 C ATOM 0 H LEU A 6 5.728 4.049 5.325 1.00 0.00 H new ATOM 0 HA LEU A 6 8.437 3.685 6.450 1.00 0.00 H new ATOM 0 HB2 LEU A 6 7.195 2.702 3.839 1.00 0.00 H new ATOM 0 HB3 LEU A 6 8.848 2.411 4.342 1.00 0.00 H new ATOM 0 HG LEU A 6 6.335 1.364 5.661 1.00 0.00 H new ATOM 0 HD11 LEU A 6 7.273 -0.867 4.980 1.00 0.00 H new ATOM 0 HD12 LEU A 6 6.994 0.184 3.571 1.00 0.00 H new ATOM 0 HD13 LEU A 6 8.642 -0.035 4.205 1.00 0.00 H new ATOM 0 HD21 LEU A 6 7.826 0.067 7.157 1.00 0.00 H new ATOM 0 HD22 LEU A 6 9.233 0.910 6.468 1.00 0.00 H new ATOM 0 HD23 LEU A 6 8.013 1.821 7.389 1.00 0.00 H new ATOM 95 N THR A 7 9.669 5.051 4.644 1.00 0.00 N ATOM 96 CA THR A 7 10.429 6.177 4.072 1.00 0.00 C ATOM 97 C THR A 7 11.642 5.692 3.278 1.00 0.00 C ATOM 98 O THR A 7 12.138 4.584 3.489 1.00 0.00 O ATOM 99 CB THR A 7 10.936 7.136 5.172 1.00 0.00 C ATOM 100 OG1 THR A 7 11.837 6.483 6.042 1.00 0.00 O ATOM 101 CG2 THR A 7 9.828 7.722 6.042 1.00 0.00 C ATOM 0 H THR A 7 10.263 4.264 4.905 1.00 0.00 H new ATOM 0 HA THR A 7 9.739 6.701 3.411 1.00 0.00 H new ATOM 0 HB THR A 7 11.418 7.945 4.623 1.00 0.00 H new ATOM 0 HG1 THR A 7 11.449 6.437 6.941 1.00 0.00 H new ATOM 0 HG21 THR A 7 10.264 8.384 6.790 1.00 0.00 H new ATOM 0 HG22 THR A 7 9.135 8.286 5.418 1.00 0.00 H new ATOM 0 HG23 THR A 7 9.292 6.915 6.541 1.00 0.00 H new ATOM 109 N ASP A 8 12.185 6.550 2.416 1.00 0.00 N ATOM 110 CA ASP A 8 13.449 6.344 1.692 1.00 0.00 C ATOM 111 C ASP A 8 14.642 5.985 2.610 1.00 0.00 C ATOM 112 O ASP A 8 15.591 5.328 2.177 1.00 0.00 O ATOM 113 CB ASP A 8 13.732 7.627 0.902 1.00 0.00 C ATOM 114 CG ASP A 8 15.054 7.590 0.117 1.00 0.00 C ATOM 115 OD1 ASP A 8 15.206 6.746 -0.798 1.00 0.00 O ATOM 116 OD2 ASP A 8 15.937 8.445 0.389 1.00 0.00 O ATOM 0 H ASP A 8 11.745 7.442 2.191 1.00 0.00 H new ATOM 0 HA ASP A 8 13.338 5.483 1.033 1.00 0.00 H new ATOM 0 HB2 ASP A 8 12.911 7.804 0.207 1.00 0.00 H new ATOM 0 HB3 ASP A 8 13.753 8.471 1.592 1.00 0.00 H new ATOM 121 N ASP A 9 14.585 6.378 3.887 1.00 0.00 N ATOM 122 CA ASP A 9 15.605 6.093 4.905 1.00 0.00 C ATOM 123 C ASP A 9 15.612 4.624 5.371 1.00 0.00 C ATOM 124 O ASP A 9 16.665 4.132 5.793 1.00 0.00 O ATOM 125 CB ASP A 9 15.355 7.016 6.105 1.00 0.00 C ATOM 126 CG ASP A 9 16.480 6.949 7.151 1.00 0.00 C ATOM 127 OD1 ASP A 9 17.617 7.387 6.851 1.00 0.00 O ATOM 128 OD2 ASP A 9 16.227 6.485 8.292 1.00 0.00 O ATOM 0 H ASP A 9 13.803 6.921 4.253 1.00 0.00 H new ATOM 0 HA ASP A 9 16.582 6.274 4.457 1.00 0.00 H new ATOM 0 HB2 ASP A 9 15.253 8.043 5.753 1.00 0.00 H new ATOM 0 HB3 ASP A 9 14.410 6.745 6.576 1.00 0.00 H new ATOM 133 N ASN A 10 14.470 3.917 5.294 1.00 0.00 N ATOM 134 CA ASN A 10 14.323 2.574 5.884 1.00 0.00 C ATOM 135 C ASN A 10 13.549 1.522 5.068 1.00 0.00 C ATOM 136 O ASN A 10 13.656 0.335 5.391 1.00 0.00 O ATOM 137 CB ASN A 10 13.777 2.712 7.320 1.00 0.00 C ATOM 138 CG ASN A 10 12.261 2.676 7.439 1.00 0.00 C ATOM 139 OD1 ASN A 10 11.682 1.680 7.850 1.00 0.00 O ATOM 140 ND2 ASN A 10 11.561 3.740 7.115 1.00 0.00 N ATOM 0 H ASN A 10 13.630 4.257 4.825 1.00 0.00 H new ATOM 0 HA ASN A 10 15.328 2.153 5.883 1.00 0.00 H new ATOM 0 HB2 ASN A 10 14.193 1.910 7.929 1.00 0.00 H new ATOM 0 HB3 ASN A 10 14.137 3.651 7.741 1.00 0.00 H new ATOM 0 HD21 ASN A 10 10.545 3.730 7.207 1.00 0.00 H new ATOM 0 HD22 ASN A 10 12.033 4.576 6.771 1.00 0.00 H new ATOM 147 N PHE A 11 12.808 1.889 4.017 1.00 0.00 N ATOM 148 CA PHE A 11 12.003 0.967 3.201 1.00 0.00 C ATOM 149 C PHE A 11 12.786 -0.274 2.715 1.00 0.00 C ATOM 150 O PHE A 11 12.284 -1.392 2.771 1.00 0.00 O ATOM 151 CB PHE A 11 11.417 1.756 2.022 1.00 0.00 C ATOM 152 CG PHE A 11 10.578 0.951 1.049 1.00 0.00 C ATOM 153 CD1 PHE A 11 11.178 0.337 -0.070 1.00 0.00 C ATOM 154 CD2 PHE A 11 9.189 0.829 1.249 1.00 0.00 C ATOM 155 CE1 PHE A 11 10.391 -0.386 -0.986 1.00 0.00 C ATOM 156 CE2 PHE A 11 8.405 0.092 0.342 1.00 0.00 C ATOM 157 CZ PHE A 11 9.007 -0.517 -0.775 1.00 0.00 C ATOM 0 H PHE A 11 12.748 2.857 3.701 1.00 0.00 H new ATOM 0 HA PHE A 11 11.206 0.566 3.827 1.00 0.00 H new ATOM 0 HB2 PHE A 11 10.805 2.566 2.418 1.00 0.00 H new ATOM 0 HB3 PHE A 11 12.238 2.216 1.472 1.00 0.00 H new ATOM 0 HD1 PHE A 11 12.244 0.422 -0.224 1.00 0.00 H new ATOM 0 HD2 PHE A 11 8.724 1.303 2.101 1.00 0.00 H new ATOM 0 HE1 PHE A 11 10.850 -0.840 -1.851 1.00 0.00 H new ATOM 0 HE2 PHE A 11 7.342 -0.006 0.503 1.00 0.00 H new ATOM 0 HZ PHE A 11 8.406 -1.085 -1.470 1.00 0.00 H new ATOM 167 N GLU A 12 14.052 -0.084 2.326 1.00 0.00 N ATOM 168 CA GLU A 12 14.998 -1.125 1.886 1.00 0.00 C ATOM 169 C GLU A 12 15.211 -2.293 2.871 1.00 0.00 C ATOM 170 O GLU A 12 15.572 -3.402 2.473 1.00 0.00 O ATOM 171 CB GLU A 12 16.356 -0.470 1.585 1.00 0.00 C ATOM 172 CG GLU A 12 16.964 0.342 2.742 1.00 0.00 C ATOM 173 CD GLU A 12 18.380 0.829 2.385 1.00 0.00 C ATOM 174 OE1 GLU A 12 18.512 1.881 1.713 1.00 0.00 O ATOM 175 OE2 GLU A 12 19.377 0.159 2.759 1.00 0.00 O ATOM 0 H GLU A 12 14.469 0.847 2.307 1.00 0.00 H new ATOM 0 HA GLU A 12 14.545 -1.573 1.001 1.00 0.00 H new ATOM 0 HB2 GLU A 12 17.062 -1.250 1.300 1.00 0.00 H new ATOM 0 HB3 GLU A 12 16.241 0.187 0.723 1.00 0.00 H new ATOM 0 HG2 GLU A 12 16.326 1.197 2.966 1.00 0.00 H new ATOM 0 HG3 GLU A 12 17.002 -0.272 3.642 1.00 0.00 H new ATOM 182 N SER A 13 14.980 -2.051 4.161 1.00 0.00 N ATOM 183 CA SER A 13 15.061 -3.067 5.226 1.00 0.00 C ATOM 184 C SER A 13 13.794 -3.928 5.391 1.00 0.00 C ATOM 185 O SER A 13 13.832 -4.938 6.099 1.00 0.00 O ATOM 186 CB SER A 13 15.382 -2.385 6.561 1.00 0.00 C ATOM 187 OG SER A 13 14.272 -1.639 7.034 1.00 0.00 O ATOM 0 H SER A 13 14.726 -1.126 4.509 1.00 0.00 H new ATOM 0 HA SER A 13 15.854 -3.750 4.923 1.00 0.00 H new ATOM 0 HB2 SER A 13 15.660 -3.137 7.299 1.00 0.00 H new ATOM 0 HB3 SER A 13 16.241 -1.726 6.439 1.00 0.00 H new ATOM 0 HG SER A 13 14.071 -0.916 6.404 1.00 0.00 H new ATOM 193 N ARG A 14 12.683 -3.550 4.748 1.00 0.00 N ATOM 194 CA ARG A 14 11.342 -4.133 4.981 1.00 0.00 C ATOM 195 C ARG A 14 10.855 -5.084 3.892 1.00 0.00 C ATOM 196 O ARG A 14 10.040 -5.966 4.169 1.00 0.00 O ATOM 197 CB ARG A 14 10.307 -3.002 5.051 1.00 0.00 C ATOM 198 CG ARG A 14 10.640 -1.847 6.011 1.00 0.00 C ATOM 199 CD ARG A 14 10.830 -2.290 7.464 1.00 0.00 C ATOM 200 NE ARG A 14 11.118 -1.133 8.326 1.00 0.00 N ATOM 201 CZ ARG A 14 11.359 -1.147 9.623 1.00 0.00 C ATOM 202 NH1 ARG A 14 11.342 -2.245 10.327 1.00 0.00 N ATOM 203 NH2 ARG A 14 11.628 -0.032 10.231 1.00 0.00 N ATOM 0 H ARG A 14 12.683 -2.818 4.037 1.00 0.00 H new ATOM 0 HA ARG A 14 11.441 -4.701 5.906 1.00 0.00 H new ATOM 0 HB2 ARG A 14 10.178 -2.591 4.050 1.00 0.00 H new ATOM 0 HB3 ARG A 14 9.349 -3.430 5.346 1.00 0.00 H new ATOM 0 HG2 ARG A 14 11.549 -1.353 5.669 1.00 0.00 H new ATOM 0 HG3 ARG A 14 9.840 -1.108 5.967 1.00 0.00 H new ATOM 0 HD2 ARG A 14 9.931 -2.797 7.815 1.00 0.00 H new ATOM 0 HD3 ARG A 14 11.647 -3.009 7.527 1.00 0.00 H new ATOM 0 HE ARG A 14 11.133 -0.220 7.871 1.00 0.00 H new ATOM 0 HH11 ARG A 14 11.137 -3.137 9.876 1.00 0.00 H new ATOM 0 HH12 ARG A 14 11.534 -2.212 11.328 1.00 0.00 H new ATOM 0 HH21 ARG A 14 11.651 0.842 9.706 1.00 0.00 H new ATOM 0 HH22 ARG A 14 11.816 -0.030 11.234 1.00 0.00 H new ATOM 217 N ILE A 15 11.341 -4.909 2.661 1.00 0.00 N ATOM 218 CA ILE A 15 10.811 -5.585 1.457 1.00 0.00 C ATOM 219 C ILE A 15 10.914 -7.117 1.519 1.00 0.00 C ATOM 220 O ILE A 15 10.160 -7.830 0.861 1.00 0.00 O ATOM 221 CB ILE A 15 11.417 -5.006 0.153 1.00 0.00 C ATOM 222 CG1 ILE A 15 12.735 -5.668 -0.315 1.00 0.00 C ATOM 223 CG2 ILE A 15 11.566 -3.474 0.243 1.00 0.00 C ATOM 224 CD1 ILE A 15 13.921 -5.463 0.625 1.00 0.00 C ATOM 0 H ILE A 15 12.124 -4.287 2.461 1.00 0.00 H new ATOM 0 HA ILE A 15 9.743 -5.367 1.440 1.00 0.00 H new ATOM 0 HB ILE A 15 10.693 -5.256 -0.623 1.00 0.00 H new ATOM 0 HG12 ILE A 15 12.565 -6.738 -0.436 1.00 0.00 H new ATOM 0 HG13 ILE A 15 12.995 -5.274 -1.297 1.00 0.00 H new ATOM 0 HG21 ILE A 15 11.993 -3.095 -0.685 1.00 0.00 H new ATOM 0 HG22 ILE A 15 10.587 -3.022 0.403 1.00 0.00 H new ATOM 0 HG23 ILE A 15 12.223 -3.221 1.075 1.00 0.00 H new ATOM 0 HD11 ILE A 15 14.800 -5.961 0.216 1.00 0.00 H new ATOM 0 HD12 ILE A 15 14.124 -4.397 0.728 1.00 0.00 H new ATOM 0 HD13 ILE A 15 13.687 -5.884 1.603 1.00 0.00 H new ATOM 236 N SER A 16 11.830 -7.621 2.347 1.00 0.00 N ATOM 237 CA SER A 16 12.084 -9.051 2.595 1.00 0.00 C ATOM 238 C SER A 16 11.025 -9.731 3.476 1.00 0.00 C ATOM 239 O SER A 16 10.932 -10.959 3.480 1.00 0.00 O ATOM 240 CB SER A 16 13.470 -9.216 3.237 1.00 0.00 C ATOM 241 OG SER A 16 13.582 -8.447 4.423 1.00 0.00 O ATOM 0 H SER A 16 12.447 -7.019 2.892 1.00 0.00 H new ATOM 0 HA SER A 16 12.036 -9.546 1.625 1.00 0.00 H new ATOM 0 HB2 SER A 16 13.645 -10.267 3.465 1.00 0.00 H new ATOM 0 HB3 SER A 16 14.240 -8.911 2.529 1.00 0.00 H new ATOM 0 HG SER A 16 14.473 -8.572 4.811 1.00 0.00 H new ATOM 247 N ASP A 17 10.199 -8.960 4.192 1.00 0.00 N ATOM 248 CA ASP A 17 9.096 -9.479 5.017 1.00 0.00 C ATOM 249 C ASP A 17 7.968 -10.132 4.192 1.00 0.00 C ATOM 250 O ASP A 17 7.146 -10.897 4.706 1.00 0.00 O ATOM 251 CB ASP A 17 8.554 -8.357 5.912 1.00 0.00 C ATOM 252 CG ASP A 17 7.571 -8.872 6.975 1.00 0.00 C ATOM 253 OD1 ASP A 17 8.002 -9.645 7.864 1.00 0.00 O ATOM 254 OD2 ASP A 17 6.383 -8.470 6.954 1.00 0.00 O ATOM 0 H ASP A 17 10.277 -7.943 4.217 1.00 0.00 H new ATOM 0 HA ASP A 17 9.502 -10.279 5.637 1.00 0.00 H new ATOM 0 HB2 ASP A 17 9.387 -7.856 6.405 1.00 0.00 H new ATOM 0 HB3 ASP A 17 8.056 -7.612 5.292 1.00 0.00 H new ATOM 259 N THR A 18 7.967 -9.867 2.882 1.00 0.00 N ATOM 260 CA THR A 18 7.061 -10.447 1.873 1.00 0.00 C ATOM 261 C THR A 18 7.098 -11.973 1.777 1.00 0.00 C ATOM 262 O THR A 18 6.115 -12.569 1.348 1.00 0.00 O ATOM 263 CB THR A 18 7.360 -9.904 0.471 1.00 0.00 C ATOM 264 OG1 THR A 18 8.730 -10.008 0.143 1.00 0.00 O ATOM 265 CG2 THR A 18 6.954 -8.438 0.351 1.00 0.00 C ATOM 0 H THR A 18 8.630 -9.210 2.471 1.00 0.00 H new ATOM 0 HA THR A 18 6.072 -10.150 2.221 1.00 0.00 H new ATOM 0 HB THR A 18 6.778 -10.514 -0.220 1.00 0.00 H new ATOM 0 HG1 THR A 18 9.187 -9.174 0.380 1.00 0.00 H new ATOM 0 HG21 THR A 18 7.178 -8.080 -0.654 1.00 0.00 H new ATOM 0 HG22 THR A 18 5.885 -8.340 0.542 1.00 0.00 H new ATOM 0 HG23 THR A 18 7.509 -7.846 1.079 1.00 0.00 H new ATOM 273 N GLY A 19 8.186 -12.620 2.196 1.00 0.00 N ATOM 274 CA GLY A 19 8.358 -14.084 2.168 1.00 0.00 C ATOM 275 C GLY A 19 7.244 -14.906 2.838 1.00 0.00 C ATOM 276 O GLY A 19 7.051 -16.071 2.476 1.00 0.00 O ATOM 0 H GLY A 19 8.998 -12.132 2.576 1.00 0.00 H new ATOM 0 HA2 GLY A 19 8.441 -14.401 1.128 1.00 0.00 H new ATOM 0 HA3 GLY A 19 9.304 -14.328 2.652 1.00 0.00 H new ATOM 280 N SER A 20 6.488 -14.305 3.769 1.00 0.00 N ATOM 281 CA SER A 20 5.351 -14.938 4.464 1.00 0.00 C ATOM 282 C SER A 20 3.966 -14.667 3.847 1.00 0.00 C ATOM 283 O SER A 20 2.984 -15.299 4.242 1.00 0.00 O ATOM 284 CB SER A 20 5.326 -14.459 5.918 1.00 0.00 C ATOM 285 OG SER A 20 6.440 -14.977 6.631 1.00 0.00 O ATOM 0 H SER A 20 6.652 -13.344 4.068 1.00 0.00 H new ATOM 0 HA SER A 20 5.520 -16.011 4.373 1.00 0.00 H new ATOM 0 HB2 SER A 20 5.342 -13.370 5.949 1.00 0.00 H new ATOM 0 HB3 SER A 20 4.400 -14.778 6.396 1.00 0.00 H new ATOM 0 HG SER A 20 6.411 -14.661 7.558 1.00 0.00 H new ATOM 291 N ALA A 21 3.867 -13.745 2.886 1.00 0.00 N ATOM 292 CA ALA A 21 2.608 -13.299 2.263 1.00 0.00 C ATOM 293 C ALA A 21 2.629 -13.242 0.716 1.00 0.00 C ATOM 294 O ALA A 21 1.607 -12.955 0.086 1.00 0.00 O ATOM 295 CB ALA A 21 2.247 -11.931 2.865 1.00 0.00 C ATOM 0 H ALA A 21 4.685 -13.270 2.504 1.00 0.00 H new ATOM 0 HA ALA A 21 1.848 -14.048 2.485 1.00 0.00 H new ATOM 0 HB1 ALA A 21 1.317 -11.573 2.423 1.00 0.00 H new ATOM 0 HB2 ALA A 21 2.122 -12.030 3.943 1.00 0.00 H new ATOM 0 HB3 ALA A 21 3.046 -11.219 2.656 1.00 0.00 H new ATOM 301 N GLY A 22 3.785 -13.501 0.091 1.00 0.00 N ATOM 302 CA GLY A 22 3.995 -13.516 -1.364 1.00 0.00 C ATOM 303 C GLY A 22 4.270 -12.140 -1.986 1.00 0.00 C ATOM 304 O GLY A 22 5.045 -12.048 -2.941 1.00 0.00 O ATOM 0 H GLY A 22 4.638 -13.715 0.608 1.00 0.00 H new ATOM 0 HA2 GLY A 22 4.833 -14.176 -1.590 1.00 0.00 H new ATOM 0 HA3 GLY A 22 3.114 -13.945 -1.840 1.00 0.00 H new ATOM 308 N LEU A 23 3.691 -11.068 -1.441 1.00 0.00 N ATOM 309 CA LEU A 23 3.853 -9.683 -1.906 1.00 0.00 C ATOM 310 C LEU A 23 3.591 -8.659 -0.786 1.00 0.00 C ATOM 311 O LEU A 23 3.150 -9.013 0.305 1.00 0.00 O ATOM 312 CB LEU A 23 2.956 -9.456 -3.147 1.00 0.00 C ATOM 313 CG LEU A 23 1.426 -9.468 -2.942 1.00 0.00 C ATOM 314 CD1 LEU A 23 0.874 -8.147 -2.402 1.00 0.00 C ATOM 315 CD2 LEU A 23 0.754 -9.735 -4.291 1.00 0.00 C ATOM 0 H LEU A 23 3.073 -11.140 -0.633 1.00 0.00 H new ATOM 0 HA LEU A 23 4.891 -9.525 -2.198 1.00 0.00 H new ATOM 0 HB2 LEU A 23 3.228 -8.496 -3.585 1.00 0.00 H new ATOM 0 HB3 LEU A 23 3.201 -10.223 -3.882 1.00 0.00 H new ATOM 0 HG LEU A 23 1.213 -10.243 -2.206 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -0.206 -8.226 -2.282 1.00 0.00 H new ATOM 0 HD12 LEU A 23 1.331 -7.929 -1.437 1.00 0.00 H new ATOM 0 HD13 LEU A 23 1.104 -7.344 -3.102 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -0.328 -9.746 -4.162 1.00 0.00 H new ATOM 0 HD22 LEU A 23 1.027 -8.949 -4.995 1.00 0.00 H new ATOM 0 HD23 LEU A 23 1.084 -10.699 -4.677 1.00 0.00 H new ATOM 327 N MET A 24 3.833 -7.377 -1.088 1.00 0.00 N ATOM 328 CA MET A 24 3.441 -6.221 -0.268 1.00 0.00 C ATOM 329 C MET A 24 2.697 -5.205 -1.144 1.00 0.00 C ATOM 330 O MET A 24 3.062 -5.011 -2.305 1.00 0.00 O ATOM 331 CB MET A 24 4.690 -5.593 0.375 1.00 0.00 C ATOM 332 CG MET A 24 4.384 -4.404 1.300 1.00 0.00 C ATOM 333 SD MET A 24 5.836 -3.613 2.051 1.00 0.00 S ATOM 334 CE MET A 24 6.411 -4.925 3.174 1.00 0.00 C ATOM 0 H MET A 24 4.324 -7.105 -1.940 1.00 0.00 H new ATOM 0 HA MET A 24 2.773 -6.541 0.532 1.00 0.00 H new ATOM 0 HB2 MET A 24 5.217 -6.358 0.945 1.00 0.00 H new ATOM 0 HB3 MET A 24 5.365 -5.262 -0.414 1.00 0.00 H new ATOM 0 HG2 MET A 24 3.835 -3.654 0.731 1.00 0.00 H new ATOM 0 HG3 MET A 24 3.723 -4.745 2.097 1.00 0.00 H new ATOM 0 HE1 MET A 24 7.233 -4.548 3.783 1.00 0.00 H new ATOM 0 HE2 MET A 24 5.591 -5.234 3.822 1.00 0.00 H new ATOM 0 HE3 MET A 24 6.754 -5.779 2.590 1.00 0.00 H new ATOM 344 N LEU A 25 1.680 -4.544 -0.585 1.00 0.00 N ATOM 345 CA LEU A 25 0.954 -3.438 -1.219 1.00 0.00 C ATOM 346 C LEU A 25 1.354 -2.120 -0.536 1.00 0.00 C ATOM 347 O LEU A 25 1.481 -2.068 0.688 1.00 0.00 O ATOM 348 CB LEU A 25 -0.553 -3.709 -1.086 1.00 0.00 C ATOM 349 CG LEU A 25 -1.459 -2.684 -1.798 1.00 0.00 C ATOM 350 CD1 LEU A 25 -1.484 -2.870 -3.312 1.00 0.00 C ATOM 351 CD2 LEU A 25 -2.897 -2.818 -1.301 1.00 0.00 C ATOM 0 H LEU A 25 1.329 -4.769 0.346 1.00 0.00 H new ATOM 0 HA LEU A 25 1.202 -3.358 -2.277 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -0.766 -4.701 -1.485 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -0.812 -3.729 -0.028 1.00 0.00 H new ATOM 0 HG LEU A 25 -1.043 -1.703 -1.568 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -2.137 -2.121 -3.760 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -0.475 -2.756 -3.709 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -1.857 -3.866 -3.550 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -3.527 -2.089 -1.811 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -3.262 -3.823 -1.511 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -2.929 -2.637 -0.227 1.00 0.00 H new ATOM 363 N VAL A 26 1.552 -1.045 -1.299 1.00 0.00 N ATOM 364 CA VAL A 26 2.016 0.243 -0.760 1.00 0.00 C ATOM 365 C VAL A 26 1.299 1.410 -1.433 1.00 0.00 C ATOM 366 O VAL A 26 1.171 1.440 -2.660 1.00 0.00 O ATOM 367 CB VAL A 26 3.548 0.397 -0.904 1.00 0.00 C ATOM 368 CG1 VAL A 26 4.088 1.652 -0.200 1.00 0.00 C ATOM 369 CG2 VAL A 26 4.337 -0.847 -0.469 1.00 0.00 C ATOM 0 H VAL A 26 1.397 -1.038 -2.307 1.00 0.00 H new ATOM 0 HA VAL A 26 1.774 0.256 0.303 1.00 0.00 H new ATOM 0 HB VAL A 26 3.709 0.516 -1.975 1.00 0.00 H new ATOM 0 HG11 VAL A 26 5.168 1.708 -0.334 1.00 0.00 H new ATOM 0 HG12 VAL A 26 3.622 2.539 -0.630 1.00 0.00 H new ATOM 0 HG13 VAL A 26 3.857 1.600 0.864 1.00 0.00 H new ATOM 0 HG21 VAL A 26 5.404 -0.665 -0.598 1.00 0.00 H new ATOM 0 HG22 VAL A 26 4.130 -1.061 0.579 1.00 0.00 H new ATOM 0 HG23 VAL A 26 4.038 -1.699 -1.079 1.00 0.00 H new ATOM 379 N GLU A 27 0.853 2.380 -0.642 1.00 0.00 N ATOM 380 CA GLU A 27 0.199 3.612 -1.100 1.00 0.00 C ATOM 381 C GLU A 27 1.169 4.807 -1.046 1.00 0.00 C ATOM 382 O GLU A 27 1.873 5.016 -0.057 1.00 0.00 O ATOM 383 CB GLU A 27 -1.043 3.875 -0.233 1.00 0.00 C ATOM 384 CG GLU A 27 -1.802 5.139 -0.651 1.00 0.00 C ATOM 385 CD GLU A 27 -3.085 5.295 0.185 1.00 0.00 C ATOM 386 OE1 GLU A 27 -3.001 5.768 1.349 1.00 0.00 O ATOM 387 OE2 GLU A 27 -4.181 4.972 -0.336 1.00 0.00 O ATOM 0 H GLU A 27 0.938 2.333 0.373 1.00 0.00 H new ATOM 0 HA GLU A 27 -0.106 3.489 -2.139 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -1.713 3.017 -0.296 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -0.740 3.967 0.810 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -1.165 6.014 -0.519 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -2.054 5.086 -1.710 1.00 0.00 H new ATOM 394 N PHE A 28 1.149 5.628 -2.093 1.00 0.00 N ATOM 395 CA PHE A 28 1.940 6.847 -2.221 1.00 0.00 C ATOM 396 C PHE A 28 1.014 8.069 -2.324 1.00 0.00 C ATOM 397 O PHE A 28 0.082 8.091 -3.136 1.00 0.00 O ATOM 398 CB PHE A 28 2.892 6.717 -3.419 1.00 0.00 C ATOM 399 CG PHE A 28 3.842 5.536 -3.329 1.00 0.00 C ATOM 400 CD1 PHE A 28 3.404 4.247 -3.692 1.00 0.00 C ATOM 401 CD2 PHE A 28 5.161 5.718 -2.863 1.00 0.00 C ATOM 402 CE1 PHE A 28 4.256 3.137 -3.534 1.00 0.00 C ATOM 403 CE2 PHE A 28 6.014 4.606 -2.717 1.00 0.00 C ATOM 404 CZ PHE A 28 5.556 3.315 -3.038 1.00 0.00 C ATOM 0 H PHE A 28 0.558 5.455 -2.906 1.00 0.00 H new ATOM 0 HA PHE A 28 2.554 6.993 -1.332 1.00 0.00 H new ATOM 0 HB2 PHE A 28 2.302 6.626 -4.331 1.00 0.00 H new ATOM 0 HB3 PHE A 28 3.476 7.633 -3.507 1.00 0.00 H new ATOM 0 HD1 PHE A 28 2.411 4.110 -4.093 1.00 0.00 H new ATOM 0 HD2 PHE A 28 5.516 6.708 -2.619 1.00 0.00 H new ATOM 0 HE1 PHE A 28 3.908 2.148 -3.795 1.00 0.00 H new ATOM 0 HE2 PHE A 28 7.023 4.745 -2.357 1.00 0.00 H new ATOM 0 HZ PHE A 28 6.205 2.462 -2.903 1.00 0.00 H new ATOM 414 N PHE A 29 1.237 9.071 -1.462 1.00 0.00 N ATOM 415 CA PHE A 29 0.330 10.209 -1.249 1.00 0.00 C ATOM 416 C PHE A 29 1.071 11.492 -0.812 1.00 0.00 C ATOM 417 O PHE A 29 2.291 11.470 -0.669 1.00 0.00 O ATOM 418 CB PHE A 29 -0.737 9.767 -0.227 1.00 0.00 C ATOM 419 CG PHE A 29 -2.068 10.459 -0.410 1.00 0.00 C ATOM 420 CD1 PHE A 29 -2.961 10.009 -1.399 1.00 0.00 C ATOM 421 CD2 PHE A 29 -2.402 11.577 0.369 1.00 0.00 C ATOM 422 CE1 PHE A 29 -4.166 10.699 -1.634 1.00 0.00 C ATOM 423 CE2 PHE A 29 -3.583 12.289 0.101 1.00 0.00 C ATOM 424 CZ PHE A 29 -4.471 11.851 -0.891 1.00 0.00 C ATOM 0 H PHE A 29 2.073 9.114 -0.879 1.00 0.00 H new ATOM 0 HA PHE A 29 -0.146 10.479 -2.191 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -0.882 8.690 -0.308 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -0.369 9.965 0.780 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -2.722 9.131 -1.980 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -1.752 11.890 1.173 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -4.855 10.342 -2.385 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -3.809 13.182 0.665 1.00 0.00 H new ATOM 0 HZ PHE A 29 -5.384 12.396 -1.083 1.00 0.00 H new ATOM 434 N ALA A 30 0.373 12.613 -0.577 1.00 0.00 N ATOM 435 CA ALA A 30 0.940 13.883 -0.080 1.00 0.00 C ATOM 436 C ALA A 30 -0.009 14.593 0.923 1.00 0.00 C ATOM 437 O ALA A 30 -1.233 14.458 0.811 1.00 0.00 O ATOM 438 CB ALA A 30 1.178 14.786 -1.291 1.00 0.00 C ATOM 0 H ALA A 30 -0.634 12.666 -0.731 1.00 0.00 H new ATOM 0 HA ALA A 30 1.868 13.675 0.453 1.00 0.00 H new ATOM 0 HB1 ALA A 30 1.598 15.736 -0.960 1.00 0.00 H new ATOM 0 HB2 ALA A 30 1.874 14.301 -1.976 1.00 0.00 H new ATOM 0 HB3 ALA A 30 0.232 14.966 -1.802 1.00 0.00 H new ATOM 444 N PRO A 31 0.509 15.393 1.876 1.00 0.00 N ATOM 445 CA PRO A 31 -0.283 15.979 2.967 1.00 0.00 C ATOM 446 C PRO A 31 -1.233 17.126 2.565 1.00 0.00 C ATOM 447 O PRO A 31 -2.007 17.598 3.401 1.00 0.00 O ATOM 448 CB PRO A 31 0.754 16.466 3.990 1.00 0.00 C ATOM 449 CG PRO A 31 1.970 16.789 3.127 1.00 0.00 C ATOM 450 CD PRO A 31 1.920 15.690 2.071 1.00 0.00 C ATOM 0 HA PRO A 31 -0.967 15.222 3.352 1.00 0.00 H new ATOM 0 HB2 PRO A 31 0.402 17.343 4.534 1.00 0.00 H new ATOM 0 HB3 PRO A 31 0.979 15.700 4.732 1.00 0.00 H new ATOM 0 HG2 PRO A 31 1.902 17.782 2.684 1.00 0.00 H new ATOM 0 HG3 PRO A 31 2.896 16.759 3.701 1.00 0.00 H new ATOM 0 HD2 PRO A 31 2.383 16.020 1.141 1.00 0.00 H new ATOM 0 HD3 PRO A 31 2.464 14.805 2.401 1.00 0.00 H new ATOM 458 N TRP A 32 -1.178 17.611 1.319 1.00 0.00 N ATOM 459 CA TRP A 32 -1.916 18.798 0.858 1.00 0.00 C ATOM 460 C TRP A 32 -3.447 18.613 0.772 1.00 0.00 C ATOM 461 O TRP A 32 -4.188 19.595 0.884 1.00 0.00 O ATOM 462 CB TRP A 32 -1.384 19.229 -0.517 1.00 0.00 C ATOM 463 CG TRP A 32 0.106 19.357 -0.669 1.00 0.00 C ATOM 464 CD1 TRP A 32 0.808 18.932 -1.746 1.00 0.00 C ATOM 465 CD2 TRP A 32 1.101 19.936 0.244 1.00 0.00 C ATOM 466 NE1 TRP A 32 2.151 19.210 -1.577 1.00 0.00 N ATOM 467 CE2 TRP A 32 2.392 19.818 -0.365 1.00 0.00 C ATOM 468 CE3 TRP A 32 1.053 20.542 1.522 1.00 0.00 C ATOM 469 CZ2 TRP A 32 3.564 20.275 0.260 1.00 0.00 C ATOM 470 CZ3 TRP A 32 2.225 20.993 2.160 1.00 0.00 C ATOM 471 CH2 TRP A 32 3.478 20.862 1.536 1.00 0.00 C ATOM 0 H TRP A 32 -0.610 17.183 0.588 1.00 0.00 H new ATOM 0 HA TRP A 32 -1.746 19.564 1.614 1.00 0.00 H new ATOM 0 HB2 TRP A 32 -1.738 18.511 -1.256 1.00 0.00 H new ATOM 0 HB3 TRP A 32 -1.833 20.191 -0.766 1.00 0.00 H new ATOM 0 HD1 TRP A 32 0.381 18.447 -2.611 1.00 0.00 H new ATOM 0 HE1 TRP A 32 2.873 18.992 -2.264 1.00 0.00 H new ATOM 0 HE3 TRP A 32 0.101 20.661 2.017 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 4.520 20.177 -0.233 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 2.160 21.444 3.139 1.00 0.00 H new ATOM 0 HH2 TRP A 32 4.371 21.210 2.034 1.00 0.00 H new ATOM 482 N CYS A 33 -3.925 17.384 0.548 1.00 0.00 N ATOM 483 CA CYS A 33 -5.345 17.074 0.333 1.00 0.00 C ATOM 484 C CYS A 33 -6.164 16.996 1.646 1.00 0.00 C ATOM 485 O CYS A 33 -5.612 16.989 2.749 1.00 0.00 O ATOM 486 CB CYS A 33 -5.428 15.746 -0.448 1.00 0.00 C ATOM 487 SG CYS A 33 -4.510 15.868 -2.015 1.00 0.00 S ATOM 0 H CYS A 33 -3.325 16.560 0.510 1.00 0.00 H new ATOM 0 HA CYS A 33 -5.792 17.890 -0.235 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -5.020 14.936 0.157 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -6.471 15.500 -0.649 1.00 0.00 H new ATOM 0 HG CYS A 33 -4.591 14.739 -2.655 1.00 0.00 H new ATOM 493 N GLY A 34 -7.489 16.844 1.536 1.00 0.00 N ATOM 494 CA GLY A 34 -8.423 16.603 2.655 1.00 0.00 C ATOM 495 C GLY A 34 -8.462 15.149 3.159 1.00 0.00 C ATOM 496 O GLY A 34 -9.440 14.731 3.782 1.00 0.00 O ATOM 0 H GLY A 34 -7.963 16.886 0.634 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -8.149 17.254 3.485 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -9.426 16.891 2.341 1.00 0.00 H new ATOM 500 N HIS A 35 -7.426 14.356 2.861 1.00 0.00 N ATOM 501 CA HIS A 35 -7.354 12.900 3.073 1.00 0.00 C ATOM 502 C HIS A 35 -7.567 12.437 4.523 1.00 0.00 C ATOM 503 O HIS A 35 -8.030 11.318 4.743 1.00 0.00 O ATOM 504 CB HIS A 35 -6.004 12.404 2.541 1.00 0.00 C ATOM 505 CG HIS A 35 -4.812 12.740 3.422 1.00 0.00 C ATOM 506 ND1 HIS A 35 -4.270 11.920 4.390 1.00 0.00 N ATOM 507 CD2 HIS A 35 -4.065 13.888 3.409 1.00 0.00 C ATOM 508 CE1 HIS A 35 -3.233 12.564 4.956 1.00 0.00 C ATOM 509 NE2 HIS A 35 -3.076 13.775 4.395 1.00 0.00 N ATOM 0 H HIS A 35 -6.572 14.727 2.445 1.00 0.00 H new ATOM 0 HA HIS A 35 -8.189 12.461 2.527 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -6.053 11.322 2.417 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -5.839 12.831 1.552 1.00 0.00 H new ATOM 0 HD1 HIS A 35 -4.599 10.986 4.635 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -4.213 14.733 2.753 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -2.616 12.165 5.747 1.00 0.00 H new ATOM 517 N CYS A 36 -7.308 13.297 5.516 1.00 0.00 N ATOM 518 CA CYS A 36 -7.458 12.986 6.942 1.00 0.00 C ATOM 519 C CYS A 36 -8.903 12.619 7.325 1.00 0.00 C ATOM 520 O CYS A 36 -9.118 11.937 8.332 1.00 0.00 O ATOM 521 CB CYS A 36 -6.950 14.177 7.771 1.00 0.00 C ATOM 522 SG CYS A 36 -5.145 14.323 7.623 1.00 0.00 S ATOM 0 H CYS A 36 -6.981 14.248 5.346 1.00 0.00 H new ATOM 0 HA CYS A 36 -6.860 12.101 7.159 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -7.425 15.096 7.429 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -7.227 14.045 8.817 1.00 0.00 H new ATOM 0 HG CYS A 36 -4.732 15.335 8.327 1.00 0.00 H new ATOM 528 N LYS A 37 -9.882 13.044 6.507 1.00 0.00 N ATOM 529 CA LYS A 37 -11.319 12.796 6.704 1.00 0.00 C ATOM 530 C LYS A 37 -11.980 11.981 5.584 1.00 0.00 C ATOM 531 O LYS A 37 -13.147 11.608 5.719 1.00 0.00 O ATOM 532 CB LYS A 37 -12.050 14.151 6.856 1.00 0.00 C ATOM 533 CG LYS A 37 -11.456 15.164 7.852 1.00 0.00 C ATOM 534 CD LYS A 37 -11.261 14.615 9.271 1.00 0.00 C ATOM 535 CE LYS A 37 -10.826 15.691 10.278 1.00 0.00 C ATOM 536 NZ LYS A 37 -11.922 16.644 10.606 1.00 0.00 N ATOM 0 H LYS A 37 -9.688 13.586 5.665 1.00 0.00 H new ATOM 0 HA LYS A 37 -11.406 12.191 7.606 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -12.090 14.625 5.875 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -13.079 13.948 7.154 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -10.494 15.507 7.472 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -12.109 16.035 7.899 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -12.193 14.163 9.611 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -10.512 13.823 9.248 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -10.482 15.209 11.193 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -9.979 16.243 9.871 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -11.592 17.318 11.326 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -12.199 17.163 9.748 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -12.741 16.118 10.973 1.00 0.00 H new ATOM 550 N ARG A 38 -11.259 11.703 4.491 1.00 0.00 N ATOM 551 CA ARG A 38 -11.786 11.073 3.257 1.00 0.00 C ATOM 552 C ARG A 38 -11.101 9.756 2.873 1.00 0.00 C ATOM 553 O ARG A 38 -11.653 9.008 2.070 1.00 0.00 O ATOM 554 CB ARG A 38 -11.711 12.088 2.097 1.00 0.00 C ATOM 555 CG ARG A 38 -12.461 13.413 2.324 1.00 0.00 C ATOM 556 CD ARG A 38 -13.971 13.217 2.543 1.00 0.00 C ATOM 557 NE ARG A 38 -14.665 14.510 2.712 1.00 0.00 N ATOM 558 CZ ARG A 38 -15.940 14.682 3.016 1.00 0.00 C ATOM 559 NH1 ARG A 38 -16.757 13.677 3.209 1.00 0.00 N ATOM 560 NH2 ARG A 38 -16.435 15.882 3.133 1.00 0.00 N ATOM 0 H ARG A 38 -10.263 11.913 4.431 1.00 0.00 H new ATOM 0 HA ARG A 38 -12.821 10.801 3.463 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -10.662 12.313 1.902 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -12.108 11.616 1.198 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -12.036 13.921 3.190 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -12.305 14.065 1.464 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -14.397 12.682 1.694 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -14.135 12.597 3.424 1.00 0.00 H new ATOM 0 HE ARG A 38 -14.106 15.353 2.581 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -16.416 12.719 3.126 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -17.734 13.852 3.442 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -15.838 16.696 2.990 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -17.420 16.007 3.368 1.00 0.00 H new ATOM 574 N LEU A 39 -9.927 9.464 3.438 1.00 0.00 N ATOM 575 CA LEU A 39 -9.115 8.271 3.161 1.00 0.00 C ATOM 576 C LEU A 39 -8.504 7.648 4.429 1.00 0.00 C ATOM 577 O LEU A 39 -8.179 6.462 4.409 1.00 0.00 O ATOM 578 CB LEU A 39 -8.015 8.728 2.184 1.00 0.00 C ATOM 579 CG LEU A 39 -6.983 7.666 1.767 1.00 0.00 C ATOM 580 CD1 LEU A 39 -7.603 6.522 0.969 1.00 0.00 C ATOM 581 CD2 LEU A 39 -5.923 8.349 0.906 1.00 0.00 C ATOM 0 H LEU A 39 -9.496 10.077 4.130 1.00 0.00 H new ATOM 0 HA LEU A 39 -9.739 7.484 2.738 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -8.496 9.109 1.283 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -7.481 9.563 2.638 1.00 0.00 H new ATOM 0 HG LEU A 39 -6.558 7.235 2.673 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -6.828 5.803 0.702 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -8.364 6.028 1.573 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -8.060 6.917 0.062 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -5.178 7.616 0.597 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -6.394 8.782 0.024 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -5.439 9.137 1.482 1.00 0.00 H new ATOM 593 N ALA A 40 -8.365 8.398 5.530 1.00 0.00 N ATOM 594 CA ALA A 40 -7.619 7.941 6.712 1.00 0.00 C ATOM 595 C ALA A 40 -8.082 6.588 7.310 1.00 0.00 C ATOM 596 O ALA A 40 -7.209 5.784 7.655 1.00 0.00 O ATOM 597 CB ALA A 40 -7.615 9.054 7.764 1.00 0.00 C ATOM 0 H ALA A 40 -8.763 9.332 5.628 1.00 0.00 H new ATOM 0 HA ALA A 40 -6.604 7.733 6.372 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -7.063 8.722 8.643 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -7.138 9.943 7.351 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -8.641 9.291 8.047 1.00 0.00 H new ATOM 603 N PRO A 41 -9.394 6.282 7.422 1.00 0.00 N ATOM 604 CA PRO A 41 -9.842 5.002 7.960 1.00 0.00 C ATOM 605 C PRO A 41 -9.801 3.846 6.945 1.00 0.00 C ATOM 606 O PRO A 41 -9.734 2.692 7.359 1.00 0.00 O ATOM 607 CB PRO A 41 -11.272 5.250 8.436 1.00 0.00 C ATOM 608 CG PRO A 41 -11.780 6.333 7.483 1.00 0.00 C ATOM 609 CD PRO A 41 -10.537 7.175 7.244 1.00 0.00 C ATOM 0 HA PRO A 41 -9.172 4.681 8.757 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -11.878 4.346 8.376 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -11.298 5.583 9.473 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -12.166 5.909 6.556 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -12.586 6.917 7.926 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -10.544 7.602 6.241 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -10.492 8.008 7.945 1.00 0.00 H new ATOM 617 N GLU A 42 -9.822 4.119 5.636 1.00 0.00 N ATOM 618 CA GLU A 42 -10.008 3.093 4.597 1.00 0.00 C ATOM 619 C GLU A 42 -8.824 2.126 4.508 1.00 0.00 C ATOM 620 O GLU A 42 -8.996 0.906 4.536 1.00 0.00 O ATOM 621 CB GLU A 42 -10.202 3.771 3.225 1.00 0.00 C ATOM 622 CG GLU A 42 -11.517 4.550 3.107 1.00 0.00 C ATOM 623 CD GLU A 42 -12.748 3.627 3.219 1.00 0.00 C ATOM 624 OE1 GLU A 42 -12.840 2.647 2.441 1.00 0.00 O ATOM 625 OE2 GLU A 42 -13.631 3.882 4.072 1.00 0.00 O ATOM 0 H GLU A 42 -9.710 5.062 5.263 1.00 0.00 H new ATOM 0 HA GLU A 42 -10.891 2.517 4.873 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -9.369 4.450 3.044 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -10.169 3.010 2.445 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -11.560 5.308 3.889 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -11.543 5.075 2.152 1.00 0.00 H new ATOM 632 N TYR A 43 -7.607 2.661 4.401 1.00 0.00 N ATOM 633 CA TYR A 43 -6.415 1.844 4.162 1.00 0.00 C ATOM 634 C TYR A 43 -5.901 1.156 5.443 1.00 0.00 C ATOM 635 O TYR A 43 -5.383 0.038 5.405 1.00 0.00 O ATOM 636 CB TYR A 43 -5.356 2.736 3.503 1.00 0.00 C ATOM 637 CG TYR A 43 -4.312 1.979 2.714 1.00 0.00 C ATOM 638 CD1 TYR A 43 -4.694 1.242 1.573 1.00 0.00 C ATOM 639 CD2 TYR A 43 -2.957 2.029 3.097 1.00 0.00 C ATOM 640 CE1 TYR A 43 -3.726 0.562 0.813 1.00 0.00 C ATOM 641 CE2 TYR A 43 -1.989 1.339 2.347 1.00 0.00 C ATOM 642 CZ TYR A 43 -2.365 0.627 1.192 1.00 0.00 C ATOM 643 OH TYR A 43 -1.416 -0.006 0.449 1.00 0.00 O ATOM 0 H TYR A 43 -7.420 3.661 4.476 1.00 0.00 H new ATOM 0 HA TYR A 43 -6.664 1.021 3.492 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -5.854 3.443 2.840 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -4.858 3.321 4.276 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -5.733 1.200 1.282 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -2.662 2.597 3.967 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -4.020 -0.007 -0.056 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -0.955 1.355 2.657 1.00 0.00 H new ATOM 0 HH TYR A 43 -0.534 0.142 0.850 1.00 0.00 H new ATOM 653 N GLU A 44 -6.129 1.773 6.605 1.00 0.00 N ATOM 654 CA GLU A 44 -5.887 1.175 7.929 1.00 0.00 C ATOM 655 C GLU A 44 -6.852 0.021 8.224 1.00 0.00 C ATOM 656 O GLU A 44 -6.450 -1.029 8.731 1.00 0.00 O ATOM 657 CB GLU A 44 -6.062 2.246 9.015 1.00 0.00 C ATOM 658 CG GLU A 44 -5.179 3.490 8.834 1.00 0.00 C ATOM 659 CD GLU A 44 -3.671 3.269 9.047 1.00 0.00 C ATOM 660 OE1 GLU A 44 -3.255 2.221 9.606 1.00 0.00 O ATOM 661 OE2 GLU A 44 -2.884 4.171 8.676 1.00 0.00 O ATOM 0 H GLU A 44 -6.495 2.724 6.657 1.00 0.00 H new ATOM 0 HA GLU A 44 -4.870 0.782 7.928 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -7.106 2.558 9.035 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -5.844 1.800 9.985 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -5.333 3.880 7.828 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -5.518 4.259 9.529 1.00 0.00 H new ATOM 668 N ALA A 45 -8.123 0.199 7.864 1.00 0.00 N ATOM 669 CA ALA A 45 -9.123 -0.869 7.904 1.00 0.00 C ATOM 670 C ALA A 45 -8.731 -2.043 6.993 1.00 0.00 C ATOM 671 O ALA A 45 -8.747 -3.184 7.444 1.00 0.00 O ATOM 672 CB ALA A 45 -10.515 -0.321 7.561 1.00 0.00 C ATOM 0 H ALA A 45 -8.490 1.092 7.535 1.00 0.00 H new ATOM 0 HA ALA A 45 -9.161 -1.258 8.921 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -11.244 -1.131 7.596 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -10.791 0.448 8.283 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -10.500 0.110 6.560 1.00 0.00 H new ATOM 678 N ALA A 46 -8.296 -1.776 5.755 1.00 0.00 N ATOM 679 CA ALA A 46 -7.760 -2.797 4.860 1.00 0.00 C ATOM 680 C ALA A 46 -6.577 -3.575 5.464 1.00 0.00 C ATOM 681 O ALA A 46 -6.576 -4.802 5.431 1.00 0.00 O ATOM 682 CB ALA A 46 -7.340 -2.144 3.548 1.00 0.00 C ATOM 0 H ALA A 46 -8.308 -0.840 5.349 1.00 0.00 H new ATOM 0 HA ALA A 46 -8.553 -3.526 4.690 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -6.939 -2.903 2.876 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -8.205 -1.669 3.085 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -6.575 -1.392 3.744 1.00 0.00 H new ATOM 688 N ALA A 47 -5.600 -2.880 6.056 1.00 0.00 N ATOM 689 CA ALA A 47 -4.456 -3.508 6.721 1.00 0.00 C ATOM 690 C ALA A 47 -4.907 -4.407 7.888 1.00 0.00 C ATOM 691 O ALA A 47 -4.454 -5.543 8.008 1.00 0.00 O ATOM 692 CB ALA A 47 -3.489 -2.414 7.180 1.00 0.00 C ATOM 0 H ALA A 47 -5.582 -1.861 6.087 1.00 0.00 H new ATOM 0 HA ALA A 47 -3.940 -4.161 6.017 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -2.633 -2.870 7.677 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -3.146 -1.845 6.316 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -3.998 -1.746 7.875 1.00 0.00 H new ATOM 698 N THR A 48 -5.870 -3.927 8.686 1.00 0.00 N ATOM 699 CA THR A 48 -6.510 -4.686 9.772 1.00 0.00 C ATOM 700 C THR A 48 -7.265 -5.929 9.267 1.00 0.00 C ATOM 701 O THR A 48 -7.143 -7.005 9.858 1.00 0.00 O ATOM 702 CB THR A 48 -7.466 -3.776 10.570 1.00 0.00 C ATOM 703 OG1 THR A 48 -6.801 -2.600 10.998 1.00 0.00 O ATOM 704 CG2 THR A 48 -8.013 -4.448 11.831 1.00 0.00 C ATOM 0 H THR A 48 -6.235 -2.979 8.593 1.00 0.00 H new ATOM 0 HA THR A 48 -5.710 -5.040 10.422 1.00 0.00 H new ATOM 0 HB THR A 48 -8.286 -3.552 9.888 1.00 0.00 H new ATOM 0 HG1 THR A 48 -6.694 -1.990 10.239 1.00 0.00 H new ATOM 0 HG21 THR A 48 -8.679 -3.759 12.350 1.00 0.00 H new ATOM 0 HG22 THR A 48 -8.564 -5.347 11.554 1.00 0.00 H new ATOM 0 HG23 THR A 48 -7.186 -4.717 12.488 1.00 0.00 H new ATOM 712 N ARG A 49 -8.007 -5.824 8.147 1.00 0.00 N ATOM 713 CA ARG A 49 -8.745 -6.953 7.527 1.00 0.00 C ATOM 714 C ARG A 49 -7.828 -7.997 6.870 1.00 0.00 C ATOM 715 O ARG A 49 -8.195 -9.174 6.804 1.00 0.00 O ATOM 716 CB ARG A 49 -9.770 -6.426 6.495 1.00 0.00 C ATOM 717 CG ARG A 49 -11.181 -6.219 7.071 1.00 0.00 C ATOM 718 CD ARG A 49 -11.263 -5.091 8.101 1.00 0.00 C ATOM 719 NE ARG A 49 -12.622 -4.978 8.662 1.00 0.00 N ATOM 720 CZ ARG A 49 -13.023 -4.122 9.586 1.00 0.00 C ATOM 721 NH1 ARG A 49 -12.220 -3.244 10.124 1.00 0.00 N ATOM 722 NH2 ARG A 49 -14.263 -4.132 9.995 1.00 0.00 N ATOM 0 H ARG A 49 -8.115 -4.946 7.639 1.00 0.00 H new ATOM 0 HA ARG A 49 -9.263 -7.460 8.341 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -9.410 -5.480 6.091 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -9.827 -7.127 5.663 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -11.870 -6.004 6.254 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -11.515 -7.147 7.534 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -10.550 -5.276 8.904 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -10.980 -4.148 7.634 1.00 0.00 H new ATOM 0 HE ARG A 49 -13.323 -5.625 8.301 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -11.243 -3.201 9.834 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -12.570 -2.601 10.834 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -14.924 -4.801 9.601 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -14.570 -3.471 10.708 1.00 0.00 H new ATOM 736 N LEU A 50 -6.641 -7.579 6.428 1.00 0.00 N ATOM 737 CA LEU A 50 -5.644 -8.408 5.734 1.00 0.00 C ATOM 738 C LEU A 50 -4.415 -8.722 6.612 1.00 0.00 C ATOM 739 O LEU A 50 -3.390 -9.162 6.094 1.00 0.00 O ATOM 740 CB LEU A 50 -5.257 -7.724 4.401 1.00 0.00 C ATOM 741 CG LEU A 50 -6.425 -7.500 3.416 1.00 0.00 C ATOM 742 CD1 LEU A 50 -5.932 -6.765 2.174 1.00 0.00 C ATOM 743 CD2 LEU A 50 -7.068 -8.814 2.964 1.00 0.00 C ATOM 0 H LEU A 50 -6.332 -6.614 6.547 1.00 0.00 H new ATOM 0 HA LEU A 50 -6.090 -9.378 5.517 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -4.801 -6.760 4.625 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -4.497 -8.329 3.907 1.00 0.00 H new ATOM 0 HG LEU A 50 -7.171 -6.911 3.949 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -6.764 -6.613 1.487 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -5.519 -5.799 2.463 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -5.160 -7.357 1.683 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -7.883 -8.601 2.273 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -6.321 -9.432 2.465 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -7.458 -9.346 3.832 1.00 0.00 H new ATOM 755 N LYS A 51 -4.495 -8.522 7.927 1.00 0.00 N ATOM 756 CA LYS A 51 -3.431 -8.820 8.902 1.00 0.00 C ATOM 757 C LYS A 51 -3.064 -10.309 8.865 1.00 0.00 C ATOM 758 O LYS A 51 -3.871 -11.170 9.221 1.00 0.00 O ATOM 759 CB LYS A 51 -3.893 -8.327 10.289 1.00 0.00 C ATOM 760 CG LYS A 51 -2.796 -8.224 11.367 1.00 0.00 C ATOM 761 CD LYS A 51 -2.256 -9.536 11.960 1.00 0.00 C ATOM 762 CE LYS A 51 -3.370 -10.387 12.579 1.00 0.00 C ATOM 763 NZ LYS A 51 -2.839 -11.617 13.234 1.00 0.00 N ATOM 0 H LYS A 51 -5.331 -8.134 8.365 1.00 0.00 H new ATOM 0 HA LYS A 51 -2.511 -8.292 8.651 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -4.352 -7.345 10.170 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -4.670 -9.000 10.652 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -1.955 -7.677 10.940 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -3.186 -7.620 12.186 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -1.754 -10.108 11.179 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -1.508 -9.310 12.720 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -3.914 -9.792 13.313 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -4.083 -10.669 11.804 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -3.627 -12.162 13.639 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -2.342 -12.198 12.530 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -2.178 -11.349 13.991 1.00 0.00 H new ATOM 777 N GLY A 52 -1.851 -10.613 8.402 1.00 0.00 N ATOM 778 CA GLY A 52 -1.366 -11.984 8.167 1.00 0.00 C ATOM 779 C GLY A 52 -1.704 -12.547 6.775 1.00 0.00 C ATOM 780 O GLY A 52 -1.343 -13.688 6.478 1.00 0.00 O ATOM 0 H GLY A 52 -1.158 -9.900 8.173 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -0.284 -12.002 8.300 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -1.791 -12.642 8.925 1.00 0.00 H new ATOM 784 N ILE A 53 -2.367 -11.756 5.917 1.00 0.00 N ATOM 785 CA ILE A 53 -2.801 -12.131 4.554 1.00 0.00 C ATOM 786 C ILE A 53 -2.055 -11.295 3.499 1.00 0.00 C ATOM 787 O ILE A 53 -1.540 -11.855 2.530 1.00 0.00 O ATOM 788 CB ILE A 53 -4.338 -11.966 4.392 1.00 0.00 C ATOM 789 CG1 ILE A 53 -5.182 -12.533 5.558 1.00 0.00 C ATOM 790 CG2 ILE A 53 -4.828 -12.571 3.068 1.00 0.00 C ATOM 791 CD1 ILE A 53 -5.041 -14.040 5.816 1.00 0.00 C ATOM 0 H ILE A 53 -2.628 -10.800 6.159 1.00 0.00 H new ATOM 0 HA ILE A 53 -2.556 -13.182 4.400 1.00 0.00 H new ATOM 0 HB ILE A 53 -4.493 -10.887 4.397 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -4.911 -12.001 6.470 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -6.232 -12.314 5.361 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -5.907 -12.439 2.985 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -4.336 -12.069 2.235 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -4.589 -13.634 3.043 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -5.676 -14.327 6.654 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -5.344 -14.591 4.926 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -4.003 -14.273 6.051 1.00 0.00 H new ATOM 803 N VAL A 54 -1.949 -9.973 3.706 1.00 0.00 N ATOM 804 CA VAL A 54 -1.204 -9.017 2.865 1.00 0.00 C ATOM 805 C VAL A 54 -0.653 -7.869 3.741 1.00 0.00 C ATOM 806 O VAL A 54 -1.456 -7.143 4.335 1.00 0.00 O ATOM 807 CB VAL A 54 -2.086 -8.390 1.755 1.00 0.00 C ATOM 808 CG1 VAL A 54 -1.217 -7.598 0.767 1.00 0.00 C ATOM 809 CG2 VAL A 54 -2.880 -9.410 0.929 1.00 0.00 C ATOM 0 H VAL A 54 -2.400 -9.519 4.500 1.00 0.00 H new ATOM 0 HA VAL A 54 -0.398 -9.578 2.392 1.00 0.00 H new ATOM 0 HB VAL A 54 -2.793 -7.755 2.289 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -1.850 -7.163 -0.007 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -0.695 -6.802 1.298 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -0.488 -8.266 0.307 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -3.470 -8.888 0.176 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -2.190 -10.097 0.438 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -3.545 -9.971 1.585 1.00 0.00 H new ATOM 819 N PRO A 55 0.679 -7.664 3.833 1.00 0.00 N ATOM 820 CA PRO A 55 1.247 -6.476 4.474 1.00 0.00 C ATOM 821 C PRO A 55 1.016 -5.220 3.616 1.00 0.00 C ATOM 822 O PRO A 55 1.171 -5.246 2.393 1.00 0.00 O ATOM 823 CB PRO A 55 2.735 -6.777 4.653 1.00 0.00 C ATOM 824 CG PRO A 55 3.046 -7.748 3.516 1.00 0.00 C ATOM 825 CD PRO A 55 1.737 -8.524 3.338 1.00 0.00 C ATOM 0 HA PRO A 55 0.772 -6.267 5.432 1.00 0.00 H new ATOM 0 HB2 PRO A 55 3.338 -5.872 4.583 1.00 0.00 H new ATOM 0 HB3 PRO A 55 2.939 -7.222 5.627 1.00 0.00 H new ATOM 0 HG2 PRO A 55 3.327 -7.221 2.604 1.00 0.00 H new ATOM 0 HG3 PRO A 55 3.874 -8.410 3.769 1.00 0.00 H new ATOM 0 HD2 PRO A 55 1.574 -8.775 2.290 1.00 0.00 H new ATOM 0 HD3 PRO A 55 1.764 -9.463 3.891 1.00 0.00 H new ATOM 833 N LEU A 56 0.683 -4.107 4.278 1.00 0.00 N ATOM 834 CA LEU A 56 0.370 -2.803 3.672 1.00 0.00 C ATOM 835 C LEU A 56 1.320 -1.710 4.192 1.00 0.00 C ATOM 836 O LEU A 56 1.605 -1.665 5.392 1.00 0.00 O ATOM 837 CB LEU A 56 -1.097 -2.423 3.977 1.00 0.00 C ATOM 838 CG LEU A 56 -2.085 -2.728 2.837 1.00 0.00 C ATOM 839 CD1 LEU A 56 -2.295 -4.222 2.593 1.00 0.00 C ATOM 840 CD2 LEU A 56 -3.440 -2.117 3.171 1.00 0.00 C ATOM 0 H LEU A 56 0.621 -4.087 5.296 1.00 0.00 H new ATOM 0 HA LEU A 56 0.505 -2.883 2.593 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -1.419 -2.956 4.872 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -1.143 -1.358 4.206 1.00 0.00 H new ATOM 0 HG LEU A 56 -1.650 -2.301 1.933 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -3.003 -4.361 1.776 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -1.344 -4.685 2.331 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -2.688 -4.687 3.497 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -4.144 -2.330 2.366 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -3.813 -2.545 4.102 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -3.335 -1.038 3.284 1.00 0.00 H new ATOM 852 N ALA A 57 1.745 -0.783 3.323 1.00 0.00 N ATOM 853 CA ALA A 57 2.578 0.364 3.709 1.00 0.00 C ATOM 854 C ALA A 57 2.098 1.692 3.093 1.00 0.00 C ATOM 855 O ALA A 57 1.353 1.702 2.112 1.00 0.00 O ATOM 856 CB ALA A 57 4.045 0.085 3.344 1.00 0.00 C ATOM 0 H ALA A 57 1.520 -0.808 2.328 1.00 0.00 H new ATOM 0 HA ALA A 57 2.487 0.484 4.789 1.00 0.00 H new ATOM 0 HB1 ALA A 57 4.660 0.938 3.632 1.00 0.00 H new ATOM 0 HB2 ALA A 57 4.388 -0.805 3.872 1.00 0.00 H new ATOM 0 HB3 ALA A 57 4.128 -0.076 2.269 1.00 0.00 H new ATOM 862 N LYS A 58 2.569 2.820 3.635 1.00 0.00 N ATOM 863 CA LYS A 58 2.275 4.174 3.145 1.00 0.00 C ATOM 864 C LYS A 58 3.520 5.062 3.142 1.00 0.00 C ATOM 865 O LYS A 58 4.359 4.965 4.043 1.00 0.00 O ATOM 866 CB LYS A 58 1.109 4.793 3.947 1.00 0.00 C ATOM 867 CG LYS A 58 1.399 5.010 5.446 1.00 0.00 C ATOM 868 CD LYS A 58 0.124 5.441 6.187 1.00 0.00 C ATOM 869 CE LYS A 58 0.405 5.627 7.679 1.00 0.00 C ATOM 870 NZ LYS A 58 -0.821 6.034 8.416 1.00 0.00 N ATOM 0 H LYS A 58 3.183 2.818 4.450 1.00 0.00 H new ATOM 0 HA LYS A 58 1.958 4.100 2.105 1.00 0.00 H new ATOM 0 HB2 LYS A 58 0.847 5.752 3.499 1.00 0.00 H new ATOM 0 HB3 LYS A 58 0.236 4.147 3.850 1.00 0.00 H new ATOM 0 HG2 LYS A 58 1.787 4.090 5.884 1.00 0.00 H new ATOM 0 HG3 LYS A 58 2.171 5.770 5.566 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -0.252 6.372 5.763 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -0.655 4.691 6.049 1.00 0.00 H new ATOM 0 HE2 LYS A 58 0.790 4.697 8.097 1.00 0.00 H new ATOM 0 HE3 LYS A 58 1.180 6.382 7.813 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -0.569 6.299 9.390 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -1.259 6.847 7.938 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -1.493 5.241 8.436 1.00 0.00 H new ATOM 884 N VAL A 59 3.633 5.915 2.119 1.00 0.00 N ATOM 885 CA VAL A 59 4.803 6.766 1.841 1.00 0.00 C ATOM 886 C VAL A 59 4.351 8.158 1.374 1.00 0.00 C ATOM 887 O VAL A 59 3.570 8.296 0.432 1.00 0.00 O ATOM 888 CB VAL A 59 5.707 6.120 0.759 1.00 0.00 C ATOM 889 CG1 VAL A 59 6.969 6.958 0.502 1.00 0.00 C ATOM 890 CG2 VAL A 59 6.169 4.704 1.143 1.00 0.00 C ATOM 0 H VAL A 59 2.887 6.039 1.435 1.00 0.00 H new ATOM 0 HA VAL A 59 5.376 6.866 2.763 1.00 0.00 H new ATOM 0 HB VAL A 59 5.088 6.073 -0.137 1.00 0.00 H new ATOM 0 HG11 VAL A 59 7.578 6.474 -0.262 1.00 0.00 H new ATOM 0 HG12 VAL A 59 6.682 7.953 0.161 1.00 0.00 H new ATOM 0 HG13 VAL A 59 7.544 7.042 1.424 1.00 0.00 H new ATOM 0 HG21 VAL A 59 6.799 4.299 0.351 1.00 0.00 H new ATOM 0 HG22 VAL A 59 6.737 4.746 2.072 1.00 0.00 H new ATOM 0 HG23 VAL A 59 5.299 4.062 1.279 1.00 0.00 H new ATOM 900 N ASP A 60 4.854 9.202 2.028 1.00 0.00 N ATOM 901 CA ASP A 60 4.597 10.607 1.679 1.00 0.00 C ATOM 902 C ASP A 60 5.564 11.079 0.575 1.00 0.00 C ATOM 903 O ASP A 60 6.768 11.187 0.810 1.00 0.00 O ATOM 904 CB ASP A 60 4.722 11.438 2.963 1.00 0.00 C ATOM 905 CG ASP A 60 4.519 12.955 2.804 1.00 0.00 C ATOM 906 OD1 ASP A 60 4.528 13.486 1.667 1.00 0.00 O ATOM 907 OD2 ASP A 60 4.355 13.624 3.853 1.00 0.00 O ATOM 0 H ASP A 60 5.467 9.098 2.836 1.00 0.00 H new ATOM 0 HA ASP A 60 3.593 10.730 1.272 1.00 0.00 H new ATOM 0 HB2 ASP A 60 3.994 11.067 3.685 1.00 0.00 H new ATOM 0 HB3 ASP A 60 5.710 11.266 3.389 1.00 0.00 H new ATOM 912 N CYS A 61 5.052 11.362 -0.625 1.00 0.00 N ATOM 913 CA CYS A 61 5.784 11.902 -1.769 1.00 0.00 C ATOM 914 C CYS A 61 6.528 13.225 -1.495 1.00 0.00 C ATOM 915 O CYS A 61 7.618 13.448 -2.024 1.00 0.00 O ATOM 916 CB CYS A 61 4.760 12.119 -2.890 1.00 0.00 C ATOM 917 SG CYS A 61 5.448 12.791 -4.436 1.00 0.00 S ATOM 0 H CYS A 61 4.065 11.212 -0.834 1.00 0.00 H new ATOM 0 HA CYS A 61 6.564 11.186 -2.030 1.00 0.00 H new ATOM 0 HB2 CYS A 61 4.275 11.168 -3.108 1.00 0.00 H new ATOM 0 HB3 CYS A 61 3.986 12.796 -2.529 1.00 0.00 H new ATOM 922 N THR A 62 5.974 14.119 -0.668 1.00 0.00 N ATOM 923 CA THR A 62 6.614 15.404 -0.321 1.00 0.00 C ATOM 924 C THR A 62 7.776 15.219 0.650 1.00 0.00 C ATOM 925 O THR A 62 8.724 16.005 0.642 1.00 0.00 O ATOM 926 CB THR A 62 5.624 16.415 0.274 1.00 0.00 C ATOM 927 OG1 THR A 62 5.143 16.041 1.548 1.00 0.00 O ATOM 928 CG2 THR A 62 4.422 16.634 -0.644 1.00 0.00 C ATOM 0 H THR A 62 5.070 13.977 -0.218 1.00 0.00 H new ATOM 0 HA THR A 62 6.992 15.801 -1.263 1.00 0.00 H new ATOM 0 HB THR A 62 6.195 17.338 0.376 1.00 0.00 H new ATOM 0 HG1 THR A 62 5.242 15.073 1.664 1.00 0.00 H new ATOM 0 HG21 THR A 62 3.744 17.356 -0.189 1.00 0.00 H new ATOM 0 HG22 THR A 62 4.764 17.014 -1.607 1.00 0.00 H new ATOM 0 HG23 THR A 62 3.900 15.689 -0.792 1.00 0.00 H new ATOM 936 N ALA A 63 7.728 14.151 1.454 1.00 0.00 N ATOM 937 CA ALA A 63 8.813 13.741 2.347 1.00 0.00 C ATOM 938 C ALA A 63 9.828 12.780 1.681 1.00 0.00 C ATOM 939 O ALA A 63 10.947 12.625 2.174 1.00 0.00 O ATOM 940 CB ALA A 63 8.173 13.119 3.589 1.00 0.00 C ATOM 0 H ALA A 63 6.916 13.536 1.502 1.00 0.00 H new ATOM 0 HA ALA A 63 9.404 14.617 2.614 1.00 0.00 H new ATOM 0 HB1 ALA A 63 8.954 12.800 4.280 1.00 0.00 H new ATOM 0 HB2 ALA A 63 7.535 13.856 4.077 1.00 0.00 H new ATOM 0 HB3 ALA A 63 7.574 12.257 3.296 1.00 0.00 H new ATOM 946 N ASN A 64 9.456 12.140 0.562 1.00 0.00 N ATOM 947 CA ASN A 64 10.221 11.093 -0.132 1.00 0.00 C ATOM 948 C ASN A 64 10.134 11.218 -1.660 1.00 0.00 C ATOM 949 O ASN A 64 9.697 10.333 -2.400 1.00 0.00 O ATOM 950 CB ASN A 64 9.754 9.709 0.288 1.00 0.00 C ATOM 951 CG ASN A 64 9.764 9.452 1.782 1.00 0.00 C ATOM 952 OD1 ASN A 64 10.747 9.023 2.363 1.00 0.00 O ATOM 953 ND2 ASN A 64 8.651 9.687 2.444 1.00 0.00 N ATOM 0 H ASN A 64 8.573 12.348 0.095 1.00 0.00 H new ATOM 0 HA ASN A 64 11.262 11.231 0.159 1.00 0.00 H new ATOM 0 HB2 ASN A 64 8.741 9.556 -0.084 1.00 0.00 H new ATOM 0 HB3 ASN A 64 10.387 8.966 -0.197 1.00 0.00 H new ATOM 0 HD21 ASN A 64 8.608 9.510 3.448 1.00 0.00 H new ATOM 0 HD22 ASN A 64 7.832 10.046 1.953 1.00 0.00 H new ATOM 960 N THR A 65 10.528 12.383 -2.136 1.00 0.00 N ATOM 961 CA THR A 65 10.342 12.830 -3.529 1.00 0.00 C ATOM 962 C THR A 65 11.238 12.056 -4.498 1.00 0.00 C ATOM 963 O THR A 65 10.847 11.761 -5.628 1.00 0.00 O ATOM 964 CB THR A 65 10.562 14.349 -3.649 1.00 0.00 C ATOM 965 OG1 THR A 65 9.800 15.016 -2.666 1.00 0.00 O ATOM 966 CG2 THR A 65 10.117 14.891 -5.009 1.00 0.00 C ATOM 0 H THR A 65 11.002 13.076 -1.557 1.00 0.00 H new ATOM 0 HA THR A 65 9.311 12.616 -3.810 1.00 0.00 H new ATOM 0 HB THR A 65 11.630 14.524 -3.524 1.00 0.00 H new ATOM 0 HG1 THR A 65 8.988 14.501 -2.476 1.00 0.00 H new ATOM 0 HG21 THR A 65 10.291 15.966 -5.047 1.00 0.00 H new ATOM 0 HG22 THR A 65 10.687 14.403 -5.799 1.00 0.00 H new ATOM 0 HG23 THR A 65 9.055 14.690 -5.151 1.00 0.00 H new ATOM 974 N ASN A 66 12.407 11.632 -4.021 1.00 0.00 N ATOM 975 CA ASN A 66 13.354 10.778 -4.729 1.00 0.00 C ATOM 976 C ASN A 66 12.804 9.374 -5.046 1.00 0.00 C ATOM 977 O ASN A 66 13.025 8.856 -6.141 1.00 0.00 O ATOM 978 CB ASN A 66 14.648 10.754 -3.894 1.00 0.00 C ATOM 979 CG ASN A 66 14.556 10.204 -2.473 1.00 0.00 C ATOM 980 OD1 ASN A 66 13.539 9.730 -1.984 1.00 0.00 O ATOM 981 ND2 ASN A 66 15.642 10.291 -1.750 1.00 0.00 N ATOM 0 H ASN A 66 12.733 11.887 -3.089 1.00 0.00 H new ATOM 0 HA ASN A 66 13.554 11.189 -5.719 1.00 0.00 H new ATOM 0 HB2 ASN A 66 15.388 10.165 -4.436 1.00 0.00 H new ATOM 0 HB3 ASN A 66 15.031 11.773 -3.837 1.00 0.00 H new ATOM 0 HD21 ASN A 66 15.639 9.965 -0.784 1.00 0.00 H new ATOM 0 HD22 ASN A 66 16.492 10.685 -2.152 1.00 0.00 H new ATOM 988 N THR A 67 12.030 8.805 -4.123 1.00 0.00 N ATOM 989 CA THR A 67 11.257 7.569 -4.335 1.00 0.00 C ATOM 990 C THR A 67 10.041 7.859 -5.214 1.00 0.00 C ATOM 991 O THR A 67 9.776 7.137 -6.167 1.00 0.00 O ATOM 992 CB THR A 67 10.803 6.986 -2.983 1.00 0.00 C ATOM 993 OG1 THR A 67 11.926 6.695 -2.179 1.00 0.00 O ATOM 994 CG2 THR A 67 10.019 5.684 -3.116 1.00 0.00 C ATOM 0 H THR A 67 11.916 9.193 -3.187 1.00 0.00 H new ATOM 0 HA THR A 67 11.892 6.839 -4.836 1.00 0.00 H new ATOM 0 HB THR A 67 10.159 7.747 -2.542 1.00 0.00 H new ATOM 0 HG1 THR A 67 11.628 6.327 -1.321 1.00 0.00 H new ATOM 0 HG21 THR A 67 9.731 5.330 -2.126 1.00 0.00 H new ATOM 0 HG22 THR A 67 9.124 5.858 -3.714 1.00 0.00 H new ATOM 0 HG23 THR A 67 10.641 4.933 -3.603 1.00 0.00 H new ATOM 1002 N CYS A 68 9.324 8.955 -4.945 1.00 0.00 N ATOM 1003 CA CYS A 68 8.051 9.291 -5.582 1.00 0.00 C ATOM 1004 C CYS A 68 8.175 9.423 -7.110 1.00 0.00 C ATOM 1005 O CYS A 68 7.430 8.784 -7.861 1.00 0.00 O ATOM 1006 CB CYS A 68 7.541 10.596 -4.952 1.00 0.00 C ATOM 1007 SG CYS A 68 5.904 11.127 -5.510 1.00 0.00 S ATOM 0 H CYS A 68 9.623 9.649 -4.260 1.00 0.00 H new ATOM 0 HA CYS A 68 7.341 8.482 -5.413 1.00 0.00 H new ATOM 0 HB2 CYS A 68 7.517 10.474 -3.869 1.00 0.00 H new ATOM 0 HB3 CYS A 68 8.257 11.389 -5.167 1.00 0.00 H new ATOM 1012 N ASN A 69 9.154 10.200 -7.579 1.00 0.00 N ATOM 1013 CA ASN A 69 9.338 10.444 -9.016 1.00 0.00 C ATOM 1014 C ASN A 69 9.916 9.231 -9.750 1.00 0.00 C ATOM 1015 O ASN A 69 9.492 8.902 -10.860 1.00 0.00 O ATOM 1016 CB ASN A 69 10.181 11.705 -9.225 1.00 0.00 C ATOM 1017 CG ASN A 69 11.689 11.520 -9.207 1.00 0.00 C ATOM 1018 OD1 ASN A 69 12.321 11.246 -10.220 1.00 0.00 O ATOM 1019 ND2 ASN A 69 12.317 11.681 -8.067 1.00 0.00 N ATOM 0 H ASN A 69 9.835 10.673 -6.985 1.00 0.00 H new ATOM 0 HA ASN A 69 8.356 10.609 -9.459 1.00 0.00 H new ATOM 0 HB2 ASN A 69 9.902 12.148 -10.181 1.00 0.00 H new ATOM 0 HB3 ASN A 69 9.916 12.425 -8.451 1.00 0.00 H new ATOM 0 HD21 ASN A 69 13.331 11.578 -8.024 1.00 0.00 H new ATOM 0 HD22 ASN A 69 11.792 11.909 -7.223 1.00 0.00 H new ATOM 1026 N LYS A 70 10.838 8.527 -9.087 1.00 0.00 N ATOM 1027 CA LYS A 70 11.433 7.257 -9.550 1.00 0.00 C ATOM 1028 C LYS A 70 10.390 6.146 -9.725 1.00 0.00 C ATOM 1029 O LYS A 70 10.535 5.288 -10.595 1.00 0.00 O ATOM 1030 CB LYS A 70 12.552 6.850 -8.580 1.00 0.00 C ATOM 1031 CG LYS A 70 13.339 5.608 -9.028 1.00 0.00 C ATOM 1032 CD LYS A 70 14.496 5.313 -8.056 1.00 0.00 C ATOM 1033 CE LYS A 70 15.278 4.052 -8.458 1.00 0.00 C ATOM 1034 NZ LYS A 70 16.061 4.236 -9.712 1.00 0.00 N ATOM 0 H LYS A 70 11.206 8.829 -8.185 1.00 0.00 H new ATOM 0 HA LYS A 70 11.856 7.412 -10.543 1.00 0.00 H new ATOM 0 HB2 LYS A 70 13.243 7.685 -8.466 1.00 0.00 H new ATOM 0 HB3 LYS A 70 12.118 6.659 -7.599 1.00 0.00 H new ATOM 0 HG2 LYS A 70 12.672 4.748 -9.078 1.00 0.00 H new ATOM 0 HG3 LYS A 70 13.733 5.764 -10.032 1.00 0.00 H new ATOM 0 HD2 LYS A 70 15.173 6.167 -8.029 1.00 0.00 H new ATOM 0 HD3 LYS A 70 14.100 5.188 -7.048 1.00 0.00 H new ATOM 0 HE2 LYS A 70 15.955 3.776 -7.649 1.00 0.00 H new ATOM 0 HE3 LYS A 70 14.582 3.224 -8.588 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 16.568 3.356 -9.937 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 15.416 4.473 -10.493 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 16.746 5.008 -9.583 1.00 0.00 H new ATOM 1048 N TYR A 71 9.324 6.179 -8.915 1.00 0.00 N ATOM 1049 CA TYR A 71 8.281 5.139 -8.879 1.00 0.00 C ATOM 1050 C TYR A 71 7.126 5.422 -9.848 1.00 0.00 C ATOM 1051 O TYR A 71 6.292 4.543 -10.088 1.00 0.00 O ATOM 1052 CB TYR A 71 7.759 4.959 -7.442 1.00 0.00 C ATOM 1053 CG TYR A 71 8.600 4.045 -6.557 1.00 0.00 C ATOM 1054 CD1 TYR A 71 10.004 3.980 -6.694 1.00 0.00 C ATOM 1055 CD2 TYR A 71 7.959 3.231 -5.598 1.00 0.00 C ATOM 1056 CE1 TYR A 71 10.757 3.100 -5.889 1.00 0.00 C ATOM 1057 CE2 TYR A 71 8.705 2.352 -4.788 1.00 0.00 C ATOM 1058 CZ TYR A 71 10.107 2.282 -4.934 1.00 0.00 C ATOM 1059 OH TYR A 71 10.825 1.422 -4.166 1.00 0.00 O ATOM 0 H TYR A 71 9.157 6.939 -8.256 1.00 0.00 H new ATOM 0 HA TYR A 71 8.743 4.210 -9.212 1.00 0.00 H new ATOM 0 HB2 TYR A 71 7.697 5.939 -6.969 1.00 0.00 H new ATOM 0 HB3 TYR A 71 6.745 4.562 -7.488 1.00 0.00 H new ATOM 0 HD1 TYR A 71 10.503 4.607 -7.418 1.00 0.00 H new ATOM 0 HD2 TYR A 71 6.886 3.283 -5.484 1.00 0.00 H new ATOM 0 HE1 TYR A 71 11.830 3.050 -6.001 1.00 0.00 H new ATOM 0 HE2 TYR A 71 8.205 1.733 -4.057 1.00 0.00 H new ATOM 0 HH TYR A 71 10.221 0.939 -3.564 1.00 0.00 H new ATOM 1069 N GLY A 72 7.083 6.633 -10.399 1.00 0.00 N ATOM 1070 CA GLY A 72 6.074 7.076 -11.373 1.00 0.00 C ATOM 1071 C GLY A 72 4.812 7.657 -10.722 1.00 0.00 C ATOM 1072 O GLY A 72 3.759 7.720 -11.362 1.00 0.00 O ATOM 0 H GLY A 72 7.766 7.357 -10.178 1.00 0.00 H new ATOM 0 HA2 GLY A 72 6.516 7.828 -12.026 1.00 0.00 H new ATOM 0 HA3 GLY A 72 5.793 6.232 -12.003 1.00 0.00 H new ATOM 1076 N VAL A 73 4.907 8.077 -9.455 1.00 0.00 N ATOM 1077 CA VAL A 73 3.835 8.728 -8.682 1.00 0.00 C ATOM 1078 C VAL A 73 3.722 10.207 -9.108 1.00 0.00 C ATOM 1079 O VAL A 73 3.905 11.135 -8.324 1.00 0.00 O ATOM 1080 CB VAL A 73 4.048 8.526 -7.163 1.00 0.00 C ATOM 1081 CG1 VAL A 73 2.844 8.993 -6.321 1.00 0.00 C ATOM 1082 CG2 VAL A 73 4.305 7.058 -6.790 1.00 0.00 C ATOM 0 H VAL A 73 5.766 7.970 -8.916 1.00 0.00 H new ATOM 0 HA VAL A 73 2.875 8.260 -8.901 1.00 0.00 H new ATOM 0 HB VAL A 73 4.924 9.135 -6.938 1.00 0.00 H new ATOM 0 HG11 VAL A 73 3.052 8.826 -5.264 1.00 0.00 H new ATOM 0 HG12 VAL A 73 2.670 10.055 -6.493 1.00 0.00 H new ATOM 0 HG13 VAL A 73 1.957 8.428 -6.610 1.00 0.00 H new ATOM 0 HG21 VAL A 73 4.447 6.976 -5.712 1.00 0.00 H new ATOM 0 HG22 VAL A 73 3.451 6.451 -7.090 1.00 0.00 H new ATOM 0 HG23 VAL A 73 5.200 6.704 -7.302 1.00 0.00 H new ATOM 1092 N SER A 74 3.468 10.445 -10.398 1.00 0.00 N ATOM 1093 CA SER A 74 3.244 11.779 -10.993 1.00 0.00 C ATOM 1094 C SER A 74 2.001 12.510 -10.446 1.00 0.00 C ATOM 1095 O SER A 74 1.829 13.707 -10.683 1.00 0.00 O ATOM 1096 CB SER A 74 3.128 11.648 -12.518 1.00 0.00 C ATOM 1097 OG SER A 74 4.270 11.000 -13.063 1.00 0.00 O ATOM 0 H SER A 74 3.409 9.694 -11.085 1.00 0.00 H new ATOM 0 HA SER A 74 4.106 12.386 -10.714 1.00 0.00 H new ATOM 0 HB2 SER A 74 2.230 11.084 -12.771 1.00 0.00 H new ATOM 0 HB3 SER A 74 3.019 12.637 -12.964 1.00 0.00 H new ATOM 0 HG SER A 74 4.172 10.927 -14.035 1.00 0.00 H new ATOM 1103 N GLY A 75 1.150 11.798 -9.695 1.00 0.00 N ATOM 1104 CA GLY A 75 0.025 12.286 -8.921 1.00 0.00 C ATOM 1105 C GLY A 75 -0.407 11.220 -7.908 1.00 0.00 C ATOM 1106 O GLY A 75 0.174 10.133 -7.825 1.00 0.00 O ATOM 0 H GLY A 75 1.248 10.786 -9.614 1.00 0.00 H new ATOM 0 HA2 GLY A 75 0.299 13.204 -8.402 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -0.806 12.530 -9.583 1.00 0.00 H new ATOM 1110 N TYR A 76 -1.437 11.532 -7.131 1.00 0.00 N ATOM 1111 CA TYR A 76 -1.946 10.697 -6.037 1.00 0.00 C ATOM 1112 C TYR A 76 -3.483 10.780 -5.898 1.00 0.00 C ATOM 1113 O TYR A 76 -4.069 11.806 -6.265 1.00 0.00 O ATOM 1114 CB TYR A 76 -1.217 11.026 -4.713 1.00 0.00 C ATOM 1115 CG TYR A 76 -0.596 12.410 -4.613 1.00 0.00 C ATOM 1116 CD1 TYR A 76 -1.404 13.530 -4.325 1.00 0.00 C ATOM 1117 CD2 TYR A 76 0.781 12.575 -4.854 1.00 0.00 C ATOM 1118 CE1 TYR A 76 -0.842 14.819 -4.319 1.00 0.00 C ATOM 1119 CE2 TYR A 76 1.350 13.864 -4.847 1.00 0.00 C ATOM 1120 CZ TYR A 76 0.534 14.990 -4.588 1.00 0.00 C ATOM 1121 OH TYR A 76 1.075 16.238 -4.582 1.00 0.00 O ATOM 0 H TYR A 76 -1.961 12.400 -7.244 1.00 0.00 H new ATOM 0 HA TYR A 76 -1.727 9.659 -6.286 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -1.926 10.909 -3.894 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -0.431 10.286 -4.562 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -2.454 13.397 -4.109 1.00 0.00 H new ATOM 0 HD2 TYR A 76 1.402 11.712 -5.045 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -1.462 15.678 -4.109 1.00 0.00 H new ATOM 0 HE2 TYR A 76 2.405 13.992 -5.039 1.00 0.00 H new ATOM 0 HH TYR A 76 2.032 16.181 -4.785 1.00 0.00 H new ATOM 1131 N PRO A 77 -4.157 9.725 -5.382 1.00 0.00 N ATOM 1132 CA PRO A 77 -3.575 8.480 -4.867 1.00 0.00 C ATOM 1133 C PRO A 77 -2.960 7.589 -5.958 1.00 0.00 C ATOM 1134 O PRO A 77 -3.466 7.502 -7.081 1.00 0.00 O ATOM 1135 CB PRO A 77 -4.722 7.736 -4.167 1.00 0.00 C ATOM 1136 CG PRO A 77 -5.961 8.244 -4.902 1.00 0.00 C ATOM 1137 CD PRO A 77 -5.608 9.682 -5.270 1.00 0.00 C ATOM 0 HA PRO A 77 -2.750 8.719 -4.196 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -4.615 6.655 -4.256 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -4.762 7.966 -3.102 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -6.173 7.646 -5.788 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -6.847 8.200 -4.269 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -6.080 9.971 -6.209 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -5.961 10.377 -4.508 1.00 0.00 H new ATOM 1145 N THR A 78 -1.878 6.894 -5.592 1.00 0.00 N ATOM 1146 CA THR A 78 -1.211 5.858 -6.391 1.00 0.00 C ATOM 1147 C THR A 78 -0.876 4.681 -5.477 1.00 0.00 C ATOM 1148 O THR A 78 -0.268 4.869 -4.427 1.00 0.00 O ATOM 1149 CB THR A 78 0.062 6.400 -7.056 1.00 0.00 C ATOM 1150 OG1 THR A 78 -0.270 7.376 -8.025 1.00 0.00 O ATOM 1151 CG2 THR A 78 0.844 5.322 -7.813 1.00 0.00 C ATOM 0 H THR A 78 -1.423 7.044 -4.692 1.00 0.00 H new ATOM 0 HA THR A 78 -1.879 5.534 -7.189 1.00 0.00 H new ATOM 0 HB THR A 78 0.666 6.801 -6.242 1.00 0.00 H new ATOM 0 HG1 THR A 78 -0.007 8.262 -7.700 1.00 0.00 H new ATOM 0 HG21 THR A 78 1.733 5.765 -8.262 1.00 0.00 H new ATOM 0 HG22 THR A 78 1.141 4.534 -7.121 1.00 0.00 H new ATOM 0 HG23 THR A 78 0.215 4.899 -8.596 1.00 0.00 H new ATOM 1159 N LEU A 79 -1.268 3.462 -5.866 1.00 0.00 N ATOM 1160 CA LEU A 79 -1.006 2.239 -5.101 1.00 0.00 C ATOM 1161 C LEU A 79 -0.233 1.228 -5.964 1.00 0.00 C ATOM 1162 O LEU A 79 -0.574 1.002 -7.133 1.00 0.00 O ATOM 1163 CB LEU A 79 -2.324 1.637 -4.577 1.00 0.00 C ATOM 1164 CG LEU A 79 -3.061 2.423 -3.466 1.00 0.00 C ATOM 1165 CD1 LEU A 79 -4.032 3.482 -4.005 1.00 0.00 C ATOM 1166 CD2 LEU A 79 -3.873 1.449 -2.616 1.00 0.00 C ATOM 0 H LEU A 79 -1.782 3.296 -6.731 1.00 0.00 H new ATOM 0 HA LEU A 79 -0.389 2.488 -4.238 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -3.004 1.524 -5.421 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -2.114 0.636 -4.201 1.00 0.00 H new ATOM 0 HG LEU A 79 -2.289 2.934 -2.891 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -4.513 3.993 -3.171 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -3.483 4.206 -4.607 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -4.791 3.000 -4.621 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -4.394 1.998 -1.832 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -4.601 0.936 -3.245 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -3.205 0.716 -2.163 1.00 0.00 H new ATOM 1178 N LYS A 80 0.806 0.611 -5.385 1.00 0.00 N ATOM 1179 CA LYS A 80 1.723 -0.317 -6.076 1.00 0.00 C ATOM 1180 C LYS A 80 1.956 -1.616 -5.307 1.00 0.00 C ATOM 1181 O LYS A 80 1.779 -1.673 -4.092 1.00 0.00 O ATOM 1182 CB LYS A 80 3.068 0.377 -6.361 1.00 0.00 C ATOM 1183 CG LYS A 80 2.936 1.605 -7.280 1.00 0.00 C ATOM 1184 CD LYS A 80 4.292 2.218 -7.649 1.00 0.00 C ATOM 1185 CE LYS A 80 5.116 1.269 -8.534 1.00 0.00 C ATOM 1186 NZ LYS A 80 6.407 1.872 -8.950 1.00 0.00 N ATOM 0 H LYS A 80 1.041 0.744 -4.401 1.00 0.00 H new ATOM 0 HA LYS A 80 1.240 -0.590 -7.014 1.00 0.00 H new ATOM 0 HB2 LYS A 80 3.517 0.685 -5.417 1.00 0.00 H new ATOM 0 HB3 LYS A 80 3.749 -0.340 -6.820 1.00 0.00 H new ATOM 0 HG2 LYS A 80 2.412 1.317 -8.191 1.00 0.00 H new ATOM 0 HG3 LYS A 80 2.324 2.359 -6.786 1.00 0.00 H new ATOM 0 HD2 LYS A 80 4.136 3.162 -8.172 1.00 0.00 H new ATOM 0 HD3 LYS A 80 4.849 2.446 -6.740 1.00 0.00 H new ATOM 0 HE2 LYS A 80 5.307 0.343 -7.992 1.00 0.00 H new ATOM 0 HE3 LYS A 80 4.537 1.006 -9.420 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 6.843 1.283 -9.688 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 6.239 2.828 -9.324 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 7.044 1.928 -8.130 1.00 0.00 H new ATOM 1200 N ILE A 81 2.358 -2.652 -6.045 1.00 0.00 N ATOM 1201 CA ILE A 81 2.497 -4.045 -5.600 1.00 0.00 C ATOM 1202 C ILE A 81 3.935 -4.512 -5.826 1.00 0.00 C ATOM 1203 O ILE A 81 4.527 -4.256 -6.881 1.00 0.00 O ATOM 1204 CB ILE A 81 1.508 -4.948 -6.376 1.00 0.00 C ATOM 1205 CG1 ILE A 81 0.061 -4.561 -6.013 1.00 0.00 C ATOM 1206 CG2 ILE A 81 1.738 -6.444 -6.079 1.00 0.00 C ATOM 1207 CD1 ILE A 81 -0.986 -5.213 -6.922 1.00 0.00 C ATOM 0 H ILE A 81 2.611 -2.538 -7.027 1.00 0.00 H new ATOM 0 HA ILE A 81 2.266 -4.111 -4.537 1.00 0.00 H new ATOM 0 HB ILE A 81 1.681 -4.793 -7.441 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -0.136 -4.847 -4.980 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -0.043 -3.477 -6.069 1.00 0.00 H new ATOM 0 HG21 ILE A 81 1.023 -7.041 -6.644 1.00 0.00 H new ATOM 0 HG22 ILE A 81 2.751 -6.721 -6.369 1.00 0.00 H new ATOM 0 HG23 ILE A 81 1.603 -6.628 -5.013 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -1.983 -4.899 -6.612 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -0.813 -4.907 -7.954 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -0.908 -6.298 -6.847 1.00 0.00 H new ATOM 1219 N PHE A 82 4.459 -5.250 -4.849 1.00 0.00 N ATOM 1220 CA PHE A 82 5.846 -5.720 -4.827 1.00 0.00 C ATOM 1221 C PHE A 82 5.929 -7.215 -4.470 1.00 0.00 C ATOM 1222 O PHE A 82 6.059 -7.592 -3.303 1.00 0.00 O ATOM 1223 CB PHE A 82 6.685 -4.845 -3.885 1.00 0.00 C ATOM 1224 CG PHE A 82 6.642 -3.367 -4.218 1.00 0.00 C ATOM 1225 CD1 PHE A 82 5.642 -2.541 -3.677 1.00 0.00 C ATOM 1226 CD2 PHE A 82 7.582 -2.831 -5.111 1.00 0.00 C ATOM 1227 CE1 PHE A 82 5.576 -1.183 -4.049 1.00 0.00 C ATOM 1228 CE2 PHE A 82 7.530 -1.472 -5.463 1.00 0.00 C ATOM 1229 CZ PHE A 82 6.518 -0.648 -4.938 1.00 0.00 C ATOM 0 H PHE A 82 3.922 -5.545 -4.034 1.00 0.00 H new ATOM 0 HA PHE A 82 6.264 -5.623 -5.829 1.00 0.00 H new ATOM 0 HB2 PHE A 82 6.333 -4.987 -2.863 1.00 0.00 H new ATOM 0 HB3 PHE A 82 7.720 -5.184 -3.916 1.00 0.00 H new ATOM 0 HD1 PHE A 82 4.926 -2.946 -2.978 1.00 0.00 H new ATOM 0 HD2 PHE A 82 8.349 -3.466 -5.530 1.00 0.00 H new ATOM 0 HE1 PHE A 82 4.797 -0.552 -3.647 1.00 0.00 H new ATOM 0 HE2 PHE A 82 8.267 -1.060 -6.137 1.00 0.00 H new ATOM 0 HZ PHE A 82 6.467 0.394 -5.219 1.00 0.00 H new ATOM 1239 N ARG A 83 5.802 -8.074 -5.484 1.00 0.00 N ATOM 1240 CA ARG A 83 5.925 -9.541 -5.400 1.00 0.00 C ATOM 1241 C ARG A 83 7.323 -9.915 -4.903 1.00 0.00 C ATOM 1242 O ARG A 83 8.325 -9.588 -5.537 1.00 0.00 O ATOM 1243 CB ARG A 83 5.602 -10.131 -6.787 1.00 0.00 C ATOM 1244 CG ARG A 83 5.376 -11.652 -6.866 1.00 0.00 C ATOM 1245 CD ARG A 83 6.568 -12.547 -6.490 1.00 0.00 C ATOM 1246 NE ARG A 83 7.828 -12.137 -7.143 1.00 0.00 N ATOM 1247 CZ ARG A 83 8.330 -12.575 -8.284 1.00 0.00 C ATOM 1248 NH1 ARG A 83 7.703 -13.437 -9.035 1.00 0.00 N ATOM 1249 NH2 ARG A 83 9.485 -12.148 -8.700 1.00 0.00 N ATOM 0 H ARG A 83 5.601 -7.756 -6.432 1.00 0.00 H new ATOM 0 HA ARG A 83 5.220 -9.959 -4.682 1.00 0.00 H new ATOM 0 HB2 ARG A 83 4.708 -9.636 -7.165 1.00 0.00 H new ATOM 0 HB3 ARG A 83 6.418 -9.875 -7.462 1.00 0.00 H new ATOM 0 HG2 ARG A 83 4.540 -11.906 -6.214 1.00 0.00 H new ATOM 0 HG3 ARG A 83 5.073 -11.899 -7.883 1.00 0.00 H new ATOM 0 HD2 ARG A 83 6.703 -12.527 -5.409 1.00 0.00 H new ATOM 0 HD3 ARG A 83 6.342 -13.577 -6.764 1.00 0.00 H new ATOM 0 HE ARG A 83 8.377 -11.430 -6.654 1.00 0.00 H new ATOM 0 HH11 ARG A 83 6.793 -13.797 -8.748 1.00 0.00 H new ATOM 0 HH12 ARG A 83 8.123 -13.752 -9.910 1.00 0.00 H new ATOM 0 HH21 ARG A 83 10.009 -11.471 -8.145 1.00 0.00 H new ATOM 0 HH22 ARG A 83 9.868 -12.490 -9.582 1.00 0.00 H new ATOM 1263 N ASP A 84 7.385 -10.620 -3.770 1.00 0.00 N ATOM 1264 CA ASP A 84 8.624 -11.004 -3.072 1.00 0.00 C ATOM 1265 C ASP A 84 9.600 -9.828 -2.834 1.00 0.00 C ATOM 1266 O ASP A 84 10.822 -10.000 -2.783 1.00 0.00 O ATOM 1267 CB ASP A 84 9.251 -12.220 -3.783 1.00 0.00 C ATOM 1268 CG ASP A 84 10.319 -12.942 -2.944 1.00 0.00 C ATOM 1269 OD1 ASP A 84 10.046 -13.288 -1.768 1.00 0.00 O ATOM 1270 OD2 ASP A 84 11.420 -13.228 -3.479 1.00 0.00 O ATOM 0 H ASP A 84 6.547 -10.953 -3.293 1.00 0.00 H new ATOM 0 HA ASP A 84 8.368 -11.306 -2.056 1.00 0.00 H new ATOM 0 HB2 ASP A 84 8.462 -12.928 -4.038 1.00 0.00 H new ATOM 0 HB3 ASP A 84 9.699 -11.891 -4.720 1.00 0.00 H new ATOM 1275 N GLY A 85 9.065 -8.602 -2.708 1.00 0.00 N ATOM 1276 CA GLY A 85 9.846 -7.382 -2.477 1.00 0.00 C ATOM 1277 C GLY A 85 10.402 -6.730 -3.750 1.00 0.00 C ATOM 1278 O GLY A 85 11.368 -5.971 -3.681 1.00 0.00 O ATOM 0 H GLY A 85 8.061 -8.431 -2.765 1.00 0.00 H new ATOM 0 HA2 GLY A 85 9.219 -6.658 -1.957 1.00 0.00 H new ATOM 0 HA3 GLY A 85 10.677 -7.618 -1.813 1.00 0.00 H new ATOM 1282 N GLU A 86 9.804 -7.012 -4.914 1.00 0.00 N ATOM 1283 CA GLU A 86 10.216 -6.518 -6.236 1.00 0.00 C ATOM 1284 C GLU A 86 8.981 -6.073 -7.035 1.00 0.00 C ATOM 1285 O GLU A 86 7.950 -6.743 -7.002 1.00 0.00 O ATOM 1286 CB GLU A 86 10.939 -7.622 -7.027 1.00 0.00 C ATOM 1287 CG GLU A 86 12.212 -8.155 -6.354 1.00 0.00 C ATOM 1288 CD GLU A 86 12.921 -9.173 -7.265 1.00 0.00 C ATOM 1289 OE1 GLU A 86 12.395 -10.296 -7.458 1.00 0.00 O ATOM 1290 OE2 GLU A 86 14.014 -8.862 -7.800 1.00 0.00 O ATOM 0 H GLU A 86 8.984 -7.617 -4.964 1.00 0.00 H new ATOM 0 HA GLU A 86 10.892 -5.676 -6.087 1.00 0.00 H new ATOM 0 HB2 GLU A 86 10.250 -8.452 -7.182 1.00 0.00 H new ATOM 0 HB3 GLU A 86 11.198 -7.235 -8.013 1.00 0.00 H new ATOM 0 HG2 GLU A 86 12.886 -7.328 -6.131 1.00 0.00 H new ATOM 0 HG3 GLU A 86 11.958 -8.624 -5.404 1.00 0.00 H new ATOM 1297 N GLU A 87 9.058 -4.942 -7.744 1.00 0.00 N ATOM 1298 CA GLU A 87 7.925 -4.336 -8.468 1.00 0.00 C ATOM 1299 C GLU A 87 7.189 -5.339 -9.382 1.00 0.00 C ATOM 1300 O GLU A 87 7.733 -5.794 -10.393 1.00 0.00 O ATOM 1301 CB GLU A 87 8.422 -3.111 -9.257 1.00 0.00 C ATOM 1302 CG GLU A 87 7.285 -2.354 -9.954 1.00 0.00 C ATOM 1303 CD GLU A 87 7.838 -1.195 -10.802 1.00 0.00 C ATOM 1304 OE1 GLU A 87 8.246 -1.432 -11.967 1.00 0.00 O ATOM 1305 OE2 GLU A 87 7.869 -0.041 -10.305 1.00 0.00 O ATOM 0 H GLU A 87 9.923 -4.409 -7.835 1.00 0.00 H new ATOM 0 HA GLU A 87 7.187 -4.018 -7.731 1.00 0.00 H new ATOM 0 HB2 GLU A 87 8.942 -2.434 -8.579 1.00 0.00 H new ATOM 0 HB3 GLU A 87 9.148 -3.435 -10.003 1.00 0.00 H new ATOM 0 HG2 GLU A 87 6.722 -3.038 -10.589 1.00 0.00 H new ATOM 0 HG3 GLU A 87 6.590 -1.966 -9.209 1.00 0.00 H new ATOM 1312 N ALA A 88 5.932 -5.647 -9.039 1.00 0.00 N ATOM 1313 CA ALA A 88 5.026 -6.399 -9.908 1.00 0.00 C ATOM 1314 C ALA A 88 4.352 -5.439 -10.913 1.00 0.00 C ATOM 1315 O ALA A 88 4.200 -5.763 -12.094 1.00 0.00 O ATOM 1316 CB ALA A 88 3.981 -7.107 -9.041 1.00 0.00 C ATOM 0 H ALA A 88 5.516 -5.379 -8.147 1.00 0.00 H new ATOM 0 HA ALA A 88 5.581 -7.147 -10.474 1.00 0.00 H new ATOM 0 HB1 ALA A 88 3.300 -7.671 -9.679 1.00 0.00 H new ATOM 0 HB2 ALA A 88 4.481 -7.788 -8.352 1.00 0.00 H new ATOM 0 HB3 ALA A 88 3.417 -6.367 -8.474 1.00 0.00 H new ATOM 1322 N GLY A 89 3.999 -4.235 -10.443 1.00 0.00 N ATOM 1323 CA GLY A 89 3.558 -3.117 -11.278 1.00 0.00 C ATOM 1324 C GLY A 89 2.738 -2.098 -10.500 1.00 0.00 C ATOM 1325 O GLY A 89 3.272 -1.110 -9.994 1.00 0.00 O ATOM 0 H GLY A 89 4.014 -4.009 -9.448 1.00 0.00 H new ATOM 0 HA2 GLY A 89 4.429 -2.624 -11.710 1.00 0.00 H new ATOM 0 HA3 GLY A 89 2.964 -3.500 -12.108 1.00 0.00 H new ATOM 1329 N ALA A 90 1.432 -2.345 -10.408 1.00 0.00 N ATOM 1330 CA ALA A 90 0.435 -1.411 -9.878 1.00 0.00 C ATOM 1331 C ALA A 90 -0.850 -2.123 -9.407 1.00 0.00 C ATOM 1332 O ALA A 90 -1.200 -3.198 -9.904 1.00 0.00 O ATOM 1333 CB ALA A 90 0.100 -0.385 -10.970 1.00 0.00 C ATOM 0 H ALA A 90 1.024 -3.230 -10.710 1.00 0.00 H new ATOM 0 HA ALA A 90 0.858 -0.919 -9.002 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -0.642 0.319 -10.593 1.00 0.00 H new ATOM 0 HB2 ALA A 90 1.004 0.156 -11.251 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -0.300 -0.900 -11.843 1.00 0.00 H new ATOM 1339 N TYR A 91 -1.574 -1.490 -8.480 1.00 0.00 N ATOM 1340 CA TYR A 91 -2.927 -1.874 -8.049 1.00 0.00 C ATOM 1341 C TYR A 91 -3.971 -1.668 -9.166 1.00 0.00 C ATOM 1342 O TYR A 91 -3.732 -0.922 -10.123 1.00 0.00 O ATOM 1343 CB TYR A 91 -3.233 -1.037 -6.797 1.00 0.00 C ATOM 1344 CG TYR A 91 -4.586 -1.233 -6.149 1.00 0.00 C ATOM 1345 CD1 TYR A 91 -4.993 -2.506 -5.700 1.00 0.00 C ATOM 1346 CD2 TYR A 91 -5.431 -0.121 -5.956 1.00 0.00 C ATOM 1347 CE1 TYR A 91 -6.257 -2.670 -5.104 1.00 0.00 C ATOM 1348 CE2 TYR A 91 -6.678 -0.279 -5.328 1.00 0.00 C ATOM 1349 CZ TYR A 91 -7.106 -1.560 -4.925 1.00 0.00 C ATOM 1350 OH TYR A 91 -8.343 -1.722 -4.380 1.00 0.00 O ATOM 0 H TYR A 91 -1.225 -0.667 -7.990 1.00 0.00 H new ATOM 0 HA TYR A 91 -2.977 -2.938 -7.820 1.00 0.00 H new ATOM 0 HB2 TYR A 91 -2.467 -1.251 -6.052 1.00 0.00 H new ATOM 0 HB3 TYR A 91 -3.134 0.016 -7.062 1.00 0.00 H new ATOM 0 HD1 TYR A 91 -4.335 -3.355 -5.813 1.00 0.00 H new ATOM 0 HD2 TYR A 91 -5.118 0.857 -6.292 1.00 0.00 H new ATOM 0 HE1 TYR A 91 -6.577 -3.650 -4.783 1.00 0.00 H new ATOM 0 HE2 TYR A 91 -7.308 0.581 -5.154 1.00 0.00 H new ATOM 0 HH TYR A 91 -8.656 -0.867 -4.018 1.00 0.00 H new ATOM 1360 N ASP A 92 -5.140 -2.314 -9.056 1.00 0.00 N ATOM 1361 CA ASP A 92 -6.147 -2.402 -10.135 1.00 0.00 C ATOM 1362 C ASP A 92 -7.621 -2.235 -9.676 1.00 0.00 C ATOM 1363 O ASP A 92 -8.546 -2.535 -10.445 1.00 0.00 O ATOM 1364 CB ASP A 92 -5.944 -3.721 -10.911 1.00 0.00 C ATOM 1365 CG ASP A 92 -6.583 -4.956 -10.245 1.00 0.00 C ATOM 1366 OD1 ASP A 92 -6.463 -5.132 -9.009 1.00 0.00 O ATOM 1367 OD2 ASP A 92 -7.188 -5.784 -10.970 1.00 0.00 O ATOM 0 H ASP A 92 -5.422 -2.799 -8.204 1.00 0.00 H new ATOM 0 HA ASP A 92 -5.977 -1.545 -10.787 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -6.360 -3.607 -11.912 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -4.875 -3.899 -11.028 1.00 0.00 H new ATOM 1372 N GLY A 93 -7.857 -1.737 -8.459 1.00 0.00 N ATOM 1373 CA GLY A 93 -9.193 -1.537 -7.866 1.00 0.00 C ATOM 1374 C GLY A 93 -9.423 -0.111 -7.326 1.00 0.00 C ATOM 1375 O GLY A 93 -8.597 0.780 -7.556 1.00 0.00 O ATOM 0 H GLY A 93 -7.103 -1.451 -7.835 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -9.951 -1.759 -8.617 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -9.331 -2.251 -7.054 1.00 0.00 H new ATOM 1379 N PRO A 94 -10.550 0.131 -6.625 1.00 0.00 N ATOM 1380 CA PRO A 94 -10.829 1.414 -5.977 1.00 0.00 C ATOM 1381 C PRO A 94 -9.983 1.590 -4.702 1.00 0.00 C ATOM 1382 O PRO A 94 -9.649 0.617 -4.021 1.00 0.00 O ATOM 1383 CB PRO A 94 -12.334 1.389 -5.681 1.00 0.00 C ATOM 1384 CG PRO A 94 -12.618 -0.095 -5.461 1.00 0.00 C ATOM 1385 CD PRO A 94 -11.642 -0.805 -6.400 1.00 0.00 C ATOM 0 HA PRO A 94 -10.566 2.263 -6.608 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -12.582 1.982 -4.801 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -12.915 1.792 -6.511 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -12.453 -0.383 -4.423 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -13.652 -0.343 -5.700 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -11.277 -1.731 -5.956 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -12.127 -1.071 -7.339 1.00 0.00 H new ATOM 1393 N ARG A 95 -9.653 2.846 -4.364 1.00 0.00 N ATOM 1394 CA ARG A 95 -8.896 3.267 -3.156 1.00 0.00 C ATOM 1395 C ARG A 95 -9.710 3.176 -1.848 1.00 0.00 C ATOM 1396 O ARG A 95 -9.743 4.117 -1.055 1.00 0.00 O ATOM 1397 CB ARG A 95 -8.235 4.649 -3.396 1.00 0.00 C ATOM 1398 CG ARG A 95 -9.159 5.774 -3.917 1.00 0.00 C ATOM 1399 CD ARG A 95 -9.191 7.024 -3.030 1.00 0.00 C ATOM 1400 NE ARG A 95 -9.964 6.764 -1.807 1.00 0.00 N ATOM 1401 CZ ARG A 95 -10.558 7.615 -0.996 1.00 0.00 C ATOM 1402 NH1 ARG A 95 -10.531 8.906 -1.174 1.00 0.00 N ATOM 1403 NH2 ARG A 95 -11.189 7.156 0.045 1.00 0.00 N ATOM 0 H ARG A 95 -9.915 3.640 -4.948 1.00 0.00 H new ATOM 0 HA ARG A 95 -8.094 2.546 -2.998 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -7.788 4.981 -2.459 1.00 0.00 H new ATOM 0 HB3 ARG A 95 -7.421 4.519 -4.109 1.00 0.00 H new ATOM 0 HG2 ARG A 95 -8.835 6.061 -4.917 1.00 0.00 H new ATOM 0 HG3 ARG A 95 -10.172 5.383 -4.010 1.00 0.00 H new ATOM 0 HD2 ARG A 95 -8.175 7.319 -2.770 1.00 0.00 H new ATOM 0 HD3 ARG A 95 -9.634 7.856 -3.578 1.00 0.00 H new ATOM 0 HE ARG A 95 -10.053 5.781 -1.549 1.00 0.00 H new ATOM 0 HH11 ARG A 95 -10.033 9.301 -1.972 1.00 0.00 H new ATOM 0 HH12 ARG A 95 -11.008 9.522 -0.515 1.00 0.00 H new ATOM 0 HH21 ARG A 95 -11.218 6.152 0.222 1.00 0.00 H new ATOM 0 HH22 ARG A 95 -11.655 7.800 0.684 1.00 0.00 H new ATOM 1417 N THR A 96 -10.419 2.073 -1.630 1.00 0.00 N ATOM 1418 CA THR A 96 -11.324 1.848 -0.481 1.00 0.00 C ATOM 1419 C THR A 96 -11.055 0.492 0.173 1.00 0.00 C ATOM 1420 O THR A 96 -10.602 -0.440 -0.494 1.00 0.00 O ATOM 1421 CB THR A 96 -12.804 1.909 -0.907 1.00 0.00 C ATOM 1422 OG1 THR A 96 -13.079 0.957 -1.918 1.00 0.00 O ATOM 1423 CG2 THR A 96 -13.198 3.285 -1.449 1.00 0.00 C ATOM 0 H THR A 96 -10.386 1.275 -2.265 1.00 0.00 H new ATOM 0 HA THR A 96 -11.126 2.645 0.236 1.00 0.00 H new ATOM 0 HB THR A 96 -13.382 1.697 -0.007 1.00 0.00 H new ATOM 0 HG1 THR A 96 -14.024 1.013 -2.171 1.00 0.00 H new ATOM 0 HG21 THR A 96 -14.250 3.276 -1.735 1.00 0.00 H new ATOM 0 HG22 THR A 96 -13.038 4.039 -0.678 1.00 0.00 H new ATOM 0 HG23 THR A 96 -12.587 3.522 -2.320 1.00 0.00 H new ATOM 1431 N ALA A 97 -11.337 0.372 1.474 1.00 0.00 N ATOM 1432 CA ALA A 97 -11.095 -0.837 2.272 1.00 0.00 C ATOM 1433 C ALA A 97 -11.611 -2.136 1.622 1.00 0.00 C ATOM 1434 O ALA A 97 -10.887 -3.128 1.525 1.00 0.00 O ATOM 1435 CB ALA A 97 -11.720 -0.649 3.662 1.00 0.00 C ATOM 0 H ALA A 97 -11.750 1.131 2.016 1.00 0.00 H new ATOM 0 HA ALA A 97 -10.014 -0.960 2.343 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -11.546 -1.542 4.263 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -11.266 0.212 4.152 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -12.793 -0.484 3.559 1.00 0.00 H new ATOM 1441 N ASP A 98 -12.852 -2.107 1.128 1.00 0.00 N ATOM 1442 CA ASP A 98 -13.498 -3.231 0.445 1.00 0.00 C ATOM 1443 C ASP A 98 -12.822 -3.570 -0.891 1.00 0.00 C ATOM 1444 O ASP A 98 -12.759 -4.744 -1.258 1.00 0.00 O ATOM 1445 CB ASP A 98 -14.980 -2.910 0.205 1.00 0.00 C ATOM 1446 CG ASP A 98 -15.773 -2.818 1.514 1.00 0.00 C ATOM 1447 OD1 ASP A 98 -16.124 -3.876 2.090 1.00 0.00 O ATOM 1448 OD2 ASP A 98 -16.072 -1.684 1.959 1.00 0.00 O ATOM 0 H ASP A 98 -13.449 -1.282 1.193 1.00 0.00 H new ATOM 0 HA ASP A 98 -13.401 -4.103 1.092 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -15.063 -1.967 -0.335 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -15.418 -3.680 -0.430 1.00 0.00 H new ATOM 1453 N GLY A 99 -12.284 -2.569 -1.595 1.00 0.00 N ATOM 1454 CA GLY A 99 -11.498 -2.758 -2.810 1.00 0.00 C ATOM 1455 C GLY A 99 -10.202 -3.528 -2.555 1.00 0.00 C ATOM 1456 O GLY A 99 -9.907 -4.475 -3.288 1.00 0.00 O ATOM 0 H GLY A 99 -12.386 -1.590 -1.329 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -12.097 -3.294 -3.546 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -11.260 -1.785 -3.240 1.00 0.00 H new ATOM 1460 N ILE A 100 -9.461 -3.176 -1.494 1.00 0.00 N ATOM 1461 CA ILE A 100 -8.190 -3.841 -1.161 1.00 0.00 C ATOM 1462 C ILE A 100 -8.427 -5.327 -0.825 1.00 0.00 C ATOM 1463 O ILE A 100 -7.728 -6.207 -1.332 1.00 0.00 O ATOM 1464 CB ILE A 100 -7.465 -3.167 0.024 1.00 0.00 C ATOM 1465 CG1 ILE A 100 -7.483 -1.622 0.078 1.00 0.00 C ATOM 1466 CG2 ILE A 100 -6.013 -3.669 0.047 1.00 0.00 C ATOM 1467 CD1 ILE A 100 -7.018 -0.876 -1.178 1.00 0.00 C ATOM 0 H ILE A 100 -9.721 -2.431 -0.848 1.00 0.00 H new ATOM 0 HA ILE A 100 -7.555 -3.753 -2.042 1.00 0.00 H new ATOM 0 HB ILE A 100 -8.035 -3.457 0.906 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -8.500 -1.303 0.304 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -6.857 -1.305 0.912 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -5.481 -3.205 0.878 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -6.004 -4.752 0.170 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -5.522 -3.406 -0.890 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -7.080 0.199 -1.007 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -5.987 -1.149 -1.402 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -7.656 -1.147 -2.019 1.00 0.00 H new ATOM 1479 N VAL A 101 -9.441 -5.609 0.001 1.00 0.00 N ATOM 1480 CA VAL A 101 -9.851 -6.977 0.359 1.00 0.00 C ATOM 1481 C VAL A 101 -10.325 -7.749 -0.876 1.00 0.00 C ATOM 1482 O VAL A 101 -9.886 -8.875 -1.101 1.00 0.00 O ATOM 1483 CB VAL A 101 -10.930 -6.956 1.460 1.00 0.00 C ATOM 1484 CG1 VAL A 101 -11.404 -8.366 1.838 1.00 0.00 C ATOM 1485 CG2 VAL A 101 -10.386 -6.304 2.741 1.00 0.00 C ATOM 0 H VAL A 101 -10.008 -4.887 0.446 1.00 0.00 H new ATOM 0 HA VAL A 101 -8.981 -7.499 0.758 1.00 0.00 H new ATOM 0 HB VAL A 101 -11.765 -6.387 1.050 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -12.163 -8.298 2.617 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -11.827 -8.855 0.961 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -10.559 -8.948 2.205 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -11.163 -6.299 3.505 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -9.527 -6.870 3.101 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -10.082 -5.280 2.527 1.00 0.00 H new ATOM 1495 N SER A 102 -11.172 -7.142 -1.710 1.00 0.00 N ATOM 1496 CA SER A 102 -11.657 -7.766 -2.960 1.00 0.00 C ATOM 1497 C SER A 102 -10.519 -8.145 -3.918 1.00 0.00 C ATOM 1498 O SER A 102 -10.511 -9.256 -4.448 1.00 0.00 O ATOM 1499 CB SER A 102 -12.646 -6.860 -3.700 1.00 0.00 C ATOM 1500 OG SER A 102 -13.780 -6.588 -2.895 1.00 0.00 O ATOM 0 H SER A 102 -11.545 -6.207 -1.546 1.00 0.00 H new ATOM 0 HA SER A 102 -12.162 -8.680 -2.648 1.00 0.00 H new ATOM 0 HB2 SER A 102 -12.156 -5.925 -3.973 1.00 0.00 H new ATOM 0 HB3 SER A 102 -12.960 -7.338 -4.628 1.00 0.00 H new ATOM 0 HG SER A 102 -13.551 -5.910 -2.226 1.00 0.00 H new ATOM 1506 N HIS A 103 -9.522 -7.271 -4.094 1.00 0.00 N ATOM 1507 CA HIS A 103 -8.320 -7.542 -4.892 1.00 0.00 C ATOM 1508 C HIS A 103 -7.548 -8.788 -4.414 1.00 0.00 C ATOM 1509 O HIS A 103 -7.015 -9.533 -5.244 1.00 0.00 O ATOM 1510 CB HIS A 103 -7.449 -6.274 -4.885 1.00 0.00 C ATOM 1511 CG HIS A 103 -6.028 -6.476 -5.359 1.00 0.00 C ATOM 1512 ND1 HIS A 103 -5.534 -6.280 -6.627 1.00 0.00 N ATOM 1513 CD2 HIS A 103 -4.975 -6.871 -4.579 1.00 0.00 C ATOM 1514 CE1 HIS A 103 -4.223 -6.573 -6.619 1.00 0.00 C ATOM 1515 NE2 HIS A 103 -3.829 -6.938 -5.383 1.00 0.00 N ATOM 0 H HIS A 103 -9.527 -6.339 -3.679 1.00 0.00 H new ATOM 0 HA HIS A 103 -8.615 -7.781 -5.914 1.00 0.00 H new ATOM 0 HB2 HIS A 103 -7.923 -5.521 -5.515 1.00 0.00 H new ATOM 0 HB3 HIS A 103 -7.425 -5.873 -3.872 1.00 0.00 H new ATOM 0 HD1 HIS A 103 -6.071 -5.966 -7.435 1.00 0.00 H new ATOM 0 HD2 HIS A 103 -5.020 -7.093 -3.523 1.00 0.00 H new ATOM 0 HE1 HIS A 103 -3.576 -6.523 -7.482 1.00 0.00 H new ATOM 1523 N LEU A 104 -7.503 -9.053 -3.100 1.00 0.00 N ATOM 1524 CA LEU A 104 -6.941 -10.288 -2.538 1.00 0.00 C ATOM 1525 C LEU A 104 -7.873 -11.489 -2.768 1.00 0.00 C ATOM 1526 O LEU A 104 -7.425 -12.526 -3.262 1.00 0.00 O ATOM 1527 CB LEU A 104 -6.630 -10.046 -1.046 1.00 0.00 C ATOM 1528 CG LEU A 104 -5.982 -11.200 -0.245 1.00 0.00 C ATOM 1529 CD1 LEU A 104 -6.984 -12.267 0.208 1.00 0.00 C ATOM 1530 CD2 LEU A 104 -4.819 -11.870 -0.978 1.00 0.00 C ATOM 0 H LEU A 104 -7.859 -8.410 -2.392 1.00 0.00 H new ATOM 0 HA LEU A 104 -6.013 -10.543 -3.050 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -5.971 -9.180 -0.978 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -7.562 -9.777 -0.550 1.00 0.00 H new ATOM 0 HG LEU A 104 -5.586 -10.708 0.643 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -6.461 -13.045 0.764 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -7.738 -11.809 0.848 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -7.467 -12.707 -0.665 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -4.411 -12.670 -0.360 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -5.174 -12.286 -1.921 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -4.041 -11.133 -1.177 1.00 0.00 H new ATOM 1542 N LYS A 105 -9.168 -11.382 -2.449 1.00 0.00 N ATOM 1543 CA LYS A 105 -10.116 -12.512 -2.540 1.00 0.00 C ATOM 1544 C LYS A 105 -10.230 -13.091 -3.954 1.00 0.00 C ATOM 1545 O LYS A 105 -10.359 -14.303 -4.121 1.00 0.00 O ATOM 1546 CB LYS A 105 -11.508 -12.083 -2.052 1.00 0.00 C ATOM 1547 CG LYS A 105 -11.517 -11.845 -0.536 1.00 0.00 C ATOM 1548 CD LYS A 105 -12.886 -11.379 0.001 1.00 0.00 C ATOM 1549 CE LYS A 105 -14.043 -12.368 -0.210 1.00 0.00 C ATOM 1550 NZ LYS A 105 -13.863 -13.636 0.553 1.00 0.00 N ATOM 0 H LYS A 105 -9.593 -10.515 -2.121 1.00 0.00 H new ATOM 0 HA LYS A 105 -9.716 -13.298 -1.899 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -11.812 -11.172 -2.567 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -12.238 -12.852 -2.306 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -11.230 -12.766 -0.029 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -10.764 -11.097 -0.288 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -12.791 -11.179 1.068 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -13.144 -10.435 -0.479 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -14.978 -11.897 0.092 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -14.130 -12.597 -1.272 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -14.671 -14.266 0.375 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -12.985 -14.103 0.248 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -13.807 -13.424 1.570 1.00 0.00 H new ATOM 1564 N LYS A 106 -10.117 -12.235 -4.973 1.00 0.00 N ATOM 1565 CA LYS A 106 -10.133 -12.575 -6.417 1.00 0.00 C ATOM 1566 C LYS A 106 -8.984 -13.481 -6.882 1.00 0.00 C ATOM 1567 O LYS A 106 -9.100 -14.099 -7.943 1.00 0.00 O ATOM 1568 CB LYS A 106 -10.148 -11.274 -7.246 1.00 0.00 C ATOM 1569 CG LYS A 106 -11.518 -10.579 -7.287 1.00 0.00 C ATOM 1570 CD LYS A 106 -12.606 -11.296 -8.102 1.00 0.00 C ATOM 1571 CE LYS A 106 -12.244 -11.445 -9.588 1.00 0.00 C ATOM 1572 NZ LYS A 106 -13.365 -12.026 -10.376 1.00 0.00 N ATOM 0 H LYS A 106 -10.006 -11.233 -4.816 1.00 0.00 H new ATOM 0 HA LYS A 106 -11.039 -13.158 -6.578 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -9.413 -10.583 -6.833 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -9.835 -11.500 -8.265 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -11.875 -10.461 -6.264 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -11.385 -9.578 -7.696 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -12.780 -12.284 -7.675 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -13.541 -10.742 -8.015 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -11.980 -10.470 -9.997 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -11.364 -12.081 -9.685 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -13.081 -12.110 -11.373 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -13.601 -12.967 -10.002 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -14.197 -11.407 -10.304 1.00 0.00 H new ATOM 1586 N GLN A 107 -7.909 -13.595 -6.100 1.00 0.00 N ATOM 1587 CA GLN A 107 -6.734 -14.432 -6.394 1.00 0.00 C ATOM 1588 C GLN A 107 -6.492 -15.534 -5.353 1.00 0.00 C ATOM 1589 O GLN A 107 -6.102 -16.649 -5.706 1.00 0.00 O ATOM 1590 CB GLN A 107 -5.504 -13.531 -6.577 1.00 0.00 C ATOM 1591 CG GLN A 107 -5.192 -12.550 -5.437 1.00 0.00 C ATOM 1592 CD GLN A 107 -4.045 -11.601 -5.772 1.00 0.00 C ATOM 1593 OE1 GLN A 107 -2.902 -11.997 -5.972 1.00 0.00 O ATOM 1594 NE2 GLN A 107 -4.303 -10.314 -5.841 1.00 0.00 N ATOM 0 H GLN A 107 -7.825 -13.093 -5.216 1.00 0.00 H new ATOM 0 HA GLN A 107 -6.931 -14.967 -7.323 1.00 0.00 H new ATOM 0 HB2 GLN A 107 -4.633 -14.170 -6.724 1.00 0.00 H new ATOM 0 HB3 GLN A 107 -5.636 -12.956 -7.494 1.00 0.00 H new ATOM 0 HG2 GLN A 107 -6.085 -11.968 -5.210 1.00 0.00 H new ATOM 0 HG3 GLN A 107 -4.941 -13.113 -4.538 1.00 0.00 H new ATOM 0 HE21 GLN A 107 -5.251 -9.974 -5.676 1.00 0.00 H new ATOM 0 HE22 GLN A 107 -3.556 -9.655 -6.059 1.00 0.00 H new ATOM 1603 N ALA A 108 -6.803 -15.259 -4.085 1.00 0.00 N ATOM 1604 CA ALA A 108 -6.829 -16.265 -3.013 1.00 0.00 C ATOM 1605 C ALA A 108 -7.962 -17.301 -3.178 1.00 0.00 C ATOM 1606 O ALA A 108 -7.786 -18.472 -2.833 1.00 0.00 O ATOM 1607 CB ALA A 108 -6.943 -15.533 -1.670 1.00 0.00 C ATOM 0 H ALA A 108 -7.047 -14.321 -3.766 1.00 0.00 H new ATOM 0 HA ALA A 108 -5.904 -16.839 -3.059 1.00 0.00 H new ATOM 0 HB1 ALA A 108 -6.964 -16.261 -0.859 1.00 0.00 H new ATOM 0 HB2 ALA A 108 -6.086 -14.872 -1.542 1.00 0.00 H new ATOM 0 HB3 ALA A 108 -7.860 -14.945 -1.653 1.00 0.00 H new ATOM 1613 N GLY A 109 -9.105 -16.902 -3.741 1.00 0.00 N ATOM 1614 CA GLY A 109 -10.275 -17.753 -4.008 1.00 0.00 C ATOM 1615 C GLY A 109 -9.987 -18.997 -4.862 1.00 0.00 C ATOM 1616 O GLY A 109 -10.200 -20.112 -4.375 1.00 0.00 O ATOM 0 H GLY A 109 -9.250 -15.937 -4.037 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -10.698 -18.073 -3.056 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -11.035 -17.154 -4.509 1.00 0.00 H new ATOM 1620 N PRO A 110 -9.457 -18.862 -6.099 1.00 0.00 N ATOM 1621 CA PRO A 110 -9.133 -20.013 -6.953 1.00 0.00 C ATOM 1622 C PRO A 110 -7.976 -20.870 -6.405 1.00 0.00 C ATOM 1623 O PRO A 110 -7.959 -22.083 -6.624 1.00 0.00 O ATOM 1624 CB PRO A 110 -8.825 -19.433 -8.341 1.00 0.00 C ATOM 1625 CG PRO A 110 -8.428 -17.986 -8.059 1.00 0.00 C ATOM 1626 CD PRO A 110 -9.273 -17.620 -6.839 1.00 0.00 C ATOM 0 HA PRO A 110 -9.972 -20.707 -6.991 1.00 0.00 H new ATOM 0 HB2 PRO A 110 -8.019 -19.979 -8.832 1.00 0.00 H new ATOM 0 HB3 PRO A 110 -9.693 -19.488 -8.998 1.00 0.00 H new ATOM 0 HG2 PRO A 110 -7.362 -17.895 -7.852 1.00 0.00 H new ATOM 0 HG3 PRO A 110 -8.645 -17.337 -8.907 1.00 0.00 H new ATOM 0 HD2 PRO A 110 -8.772 -16.870 -6.227 1.00 0.00 H new ATOM 0 HD3 PRO A 110 -10.232 -17.198 -7.139 1.00 0.00 H new ATOM 1634 N ALA A 111 -7.054 -20.282 -5.632 1.00 0.00 N ATOM 1635 CA ALA A 111 -6.000 -21.002 -4.906 1.00 0.00 C ATOM 1636 C ALA A 111 -6.531 -21.925 -3.779 1.00 0.00 C ATOM 1637 O ALA A 111 -5.804 -22.807 -3.311 1.00 0.00 O ATOM 1638 CB ALA A 111 -4.991 -19.979 -4.364 1.00 0.00 C ATOM 0 H ALA A 111 -7.019 -19.272 -5.491 1.00 0.00 H new ATOM 0 HA ALA A 111 -5.515 -21.677 -5.611 1.00 0.00 H new ATOM 0 HB1 ALA A 111 -4.201 -20.499 -3.822 1.00 0.00 H new ATOM 0 HB2 ALA A 111 -4.556 -19.423 -5.194 1.00 0.00 H new ATOM 0 HB3 ALA A 111 -5.499 -19.288 -3.691 1.00 0.00 H new ATOM 1644 N SER A 112 -7.801 -21.765 -3.375 1.00 0.00 N ATOM 1645 CA SER A 112 -8.527 -22.598 -2.395 1.00 0.00 C ATOM 1646 C SER A 112 -7.868 -22.688 -0.997 1.00 0.00 C ATOM 1647 O SER A 112 -8.105 -23.648 -0.255 1.00 0.00 O ATOM 1648 CB SER A 112 -8.816 -23.990 -2.985 1.00 0.00 C ATOM 1649 OG SER A 112 -9.516 -23.893 -4.217 1.00 0.00 O ATOM 0 H SER A 112 -8.383 -21.011 -3.741 1.00 0.00 H new ATOM 0 HA SER A 112 -9.470 -22.083 -2.209 1.00 0.00 H new ATOM 0 HB2 SER A 112 -7.878 -24.524 -3.138 1.00 0.00 H new ATOM 0 HB3 SER A 112 -9.403 -24.573 -2.276 1.00 0.00 H new ATOM 0 HG SER A 112 -9.684 -24.792 -4.569 1.00 0.00 H new ATOM 1655 N VAL A 113 -7.039 -21.694 -0.632 1.00 0.00 N ATOM 1656 CA VAL A 113 -6.364 -21.559 0.681 1.00 0.00 C ATOM 1657 C VAL A 113 -7.340 -21.405 1.858 1.00 0.00 C ATOM 1658 O VAL A 113 -8.413 -20.781 1.706 1.00 0.00 O ATOM 1659 CB VAL A 113 -5.322 -20.426 0.673 1.00 0.00 C ATOM 1660 CG1 VAL A 113 -4.158 -20.786 -0.256 1.00 0.00 C ATOM 1661 CG2 VAL A 113 -5.885 -19.059 0.257 1.00 0.00 C ATOM 1662 OXT VAL A 113 -7.005 -21.913 2.952 1.00 0.00 O ATOM 0 H VAL A 113 -6.808 -20.929 -1.266 1.00 0.00 H new ATOM 0 HA VAL A 113 -5.841 -22.502 0.839 1.00 0.00 H new ATOM 0 HB VAL A 113 -4.986 -20.330 1.705 1.00 0.00 H new ATOM 0 HG11 VAL A 113 -3.427 -19.977 -0.254 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -3.685 -21.704 0.093 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -4.533 -20.933 -1.269 1.00 0.00 H new ATOM 0 HG21 VAL A 113 -5.088 -18.316 0.277 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -6.294 -19.125 -0.751 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -6.673 -18.764 0.949 1.00 0.00 H new TER 1672 VAL A 113