USER MOD reduce.3.24.130724 H: found=0, std=0, add=621, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 621 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 16:sc= 0.027 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 17 ASN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 19 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 GLN : amide:sc= -0.131 X(o=-0.13,f=-0.067) USER MOD Single : A 30 THR OG1 : rot 142:sc= 1.53 USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 36 GLN : amide:sc= 0.112 X(o=0.11,f=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 ASN : amide:sc= -0.953 X(o=-0.95,f=-0.95) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 58 TYR OH : rot 15:sc= -0.639 USER MOD Single : A 60 GLN : amide:sc= -0.167 X(o=-0.17,f=-0.03) USER MOD Single : A 61 CYS SG : rot -128:sc= 1.16 USER MOD Single : A 65 LYS NZ :NH3+ 154:sc= -0.0578 (180deg=-1.08) USER MOD Single : A 69 THR OG1 : rot 180:sc= -0.0295 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ -165:sc= 0 (180deg=-0.0554) USER MOD Single : A 75 THR OG1 : rot 28:sc= 0.997 USER MOD Single : A 77 LYS NZ :NH3+ -157:sc= 0.151 (180deg=0) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 18.123 -10.244 -4.070 1.00 0.00 N ATOM 2 CA GLY A 1 17.041 -11.269 -4.085 1.00 0.00 C ATOM 3 C GLY A 1 15.752 -10.760 -3.471 1.00 0.00 C ATOM 4 O GLY A 1 15.165 -11.416 -2.612 1.00 0.00 O ATOM 0 H1 GLY A 1 18.983 -10.640 -4.500 1.00 0.00 H new ATOM 0 H2 GLY A 1 17.818 -9.410 -4.611 1.00 0.00 H new ATOM 0 H3 GLY A 1 18.324 -9.966 -3.088 1.00 0.00 H new ATOM 0 HA2 GLY A 1 16.853 -11.579 -5.113 1.00 0.00 H new ATOM 0 HA3 GLY A 1 17.375 -12.153 -3.541 1.00 0.00 H new ATOM 10 N SER A 2 15.312 -9.586 -3.913 1.00 0.00 N ATOM 11 CA SER A 2 14.084 -8.989 -3.401 1.00 0.00 C ATOM 12 C SER A 2 14.183 -8.741 -1.899 1.00 0.00 C ATOM 13 O SER A 2 13.198 -8.866 -1.173 1.00 0.00 O ATOM 14 CB SER A 2 12.887 -9.893 -3.702 1.00 0.00 C ATOM 15 OG SER A 2 11.742 -9.131 -4.037 1.00 0.00 O ATOM 0 H SER A 2 15.787 -9.030 -4.624 1.00 0.00 H new ATOM 0 HA SER A 2 13.941 -8.031 -3.901 1.00 0.00 H new ATOM 0 HB2 SER A 2 13.133 -10.565 -4.524 1.00 0.00 H new ATOM 0 HB3 SER A 2 12.671 -10.516 -2.834 1.00 0.00 H new ATOM 0 HG SER A 2 10.992 -9.733 -4.226 1.00 0.00 H new ATOM 21 N SER A 3 15.381 -8.389 -1.441 1.00 0.00 N ATOM 22 CA SER A 3 15.609 -8.124 -0.026 1.00 0.00 C ATOM 23 C SER A 3 16.571 -6.955 0.160 1.00 0.00 C ATOM 24 O SER A 3 17.710 -6.995 -0.307 1.00 0.00 O ATOM 25 CB SER A 3 16.164 -9.371 0.666 1.00 0.00 C ATOM 26 OG SER A 3 15.130 -10.294 0.960 1.00 0.00 O ATOM 0 H SER A 3 16.207 -8.281 -2.029 1.00 0.00 H new ATOM 0 HA SER A 3 14.653 -7.861 0.427 1.00 0.00 H new ATOM 0 HB2 SER A 3 16.908 -9.845 0.026 1.00 0.00 H new ATOM 0 HB3 SER A 3 16.672 -9.084 1.587 1.00 0.00 H new ATOM 0 HG SER A 3 14.327 -10.060 0.449 1.00 0.00 H new ATOM 32 N GLY A 4 16.106 -5.915 0.845 1.00 0.00 N ATOM 33 CA GLY A 4 16.938 -4.750 1.080 1.00 0.00 C ATOM 34 C GLY A 4 16.686 -3.645 0.074 1.00 0.00 C ATOM 35 O GLY A 4 16.781 -2.463 0.404 1.00 0.00 O ATOM 0 H GLY A 4 15.168 -5.859 1.241 1.00 0.00 H new ATOM 0 HA2 GLY A 4 16.752 -4.371 2.085 1.00 0.00 H new ATOM 0 HA3 GLY A 4 17.987 -5.042 1.039 1.00 0.00 H new ATOM 39 N SER A 5 16.363 -4.029 -1.156 1.00 0.00 N ATOM 40 CA SER A 5 16.096 -3.062 -2.214 1.00 0.00 C ATOM 41 C SER A 5 14.596 -2.852 -2.393 1.00 0.00 C ATOM 42 O SER A 5 14.143 -1.738 -2.658 1.00 0.00 O ATOM 43 CB SER A 5 16.718 -3.531 -3.531 1.00 0.00 C ATOM 44 OG SER A 5 18.126 -3.644 -3.419 1.00 0.00 O ATOM 0 H SER A 5 16.280 -5.004 -1.445 1.00 0.00 H new ATOM 0 HA SER A 5 16.546 -2.112 -1.926 1.00 0.00 H new ATOM 0 HB2 SER A 5 16.294 -4.495 -3.814 1.00 0.00 H new ATOM 0 HB3 SER A 5 16.469 -2.827 -4.325 1.00 0.00 H new ATOM 0 HG SER A 5 18.499 -3.947 -4.273 1.00 0.00 H new ATOM 50 N SER A 6 13.830 -3.927 -2.246 1.00 0.00 N ATOM 51 CA SER A 6 12.381 -3.861 -2.392 1.00 0.00 C ATOM 52 C SER A 6 11.684 -4.395 -1.144 1.00 0.00 C ATOM 53 O SER A 6 11.990 -5.488 -0.670 1.00 0.00 O ATOM 54 CB SER A 6 11.933 -4.657 -3.619 1.00 0.00 C ATOM 55 OG SER A 6 12.826 -4.467 -4.703 1.00 0.00 O ATOM 0 H SER A 6 14.189 -4.856 -2.026 1.00 0.00 H new ATOM 0 HA SER A 6 12.102 -2.816 -2.524 1.00 0.00 H new ATOM 0 HB2 SER A 6 11.879 -5.717 -3.369 1.00 0.00 H new ATOM 0 HB3 SER A 6 10.930 -4.347 -3.911 1.00 0.00 H new ATOM 0 HG SER A 6 12.519 -4.987 -5.475 1.00 0.00 H new ATOM 61 N GLY A 7 10.745 -3.615 -0.618 1.00 0.00 N ATOM 62 CA GLY A 7 10.020 -4.027 0.570 1.00 0.00 C ATOM 63 C GLY A 7 9.302 -2.871 1.241 1.00 0.00 C ATOM 64 O GLY A 7 9.893 -1.816 1.473 1.00 0.00 O ATOM 0 H GLY A 7 10.473 -2.706 -0.993 1.00 0.00 H new ATOM 0 HA2 GLY A 7 9.294 -4.795 0.301 1.00 0.00 H new ATOM 0 HA3 GLY A 7 10.715 -4.479 1.278 1.00 0.00 H new ATOM 68 N PHE A 8 8.026 -3.071 1.552 1.00 0.00 N ATOM 69 CA PHE A 8 7.227 -2.039 2.201 1.00 0.00 C ATOM 70 C PHE A 8 6.554 -2.581 3.457 1.00 0.00 C ATOM 71 O PHE A 8 6.528 -3.790 3.687 1.00 0.00 O ATOM 72 CB PHE A 8 6.170 -1.500 1.234 1.00 0.00 C ATOM 73 CG PHE A 8 6.742 -0.975 -0.051 1.00 0.00 C ATOM 74 CD1 PHE A 8 7.380 0.255 -0.089 1.00 0.00 C ATOM 75 CD2 PHE A 8 6.644 -1.711 -1.221 1.00 0.00 C ATOM 76 CE1 PHE A 8 7.908 0.742 -1.270 1.00 0.00 C ATOM 77 CE2 PHE A 8 7.169 -1.230 -2.405 1.00 0.00 C ATOM 78 CZ PHE A 8 7.802 -0.002 -2.429 1.00 0.00 C ATOM 0 H PHE A 8 7.523 -3.938 1.365 1.00 0.00 H new ATOM 0 HA PHE A 8 7.894 -1.227 2.490 1.00 0.00 H new ATOM 0 HB2 PHE A 8 5.458 -2.294 1.007 1.00 0.00 H new ATOM 0 HB3 PHE A 8 5.612 -0.703 1.726 1.00 0.00 H new ATOM 0 HD1 PHE A 8 7.466 0.840 0.815 1.00 0.00 H new ATOM 0 HD2 PHE A 8 6.151 -2.672 -1.207 1.00 0.00 H new ATOM 0 HE1 PHE A 8 8.402 1.702 -1.287 1.00 0.00 H new ATOM 0 HE2 PHE A 8 7.085 -1.813 -3.310 1.00 0.00 H new ATOM 0 HZ PHE A 8 8.214 0.376 -3.353 1.00 0.00 H new ATOM 88 N ARG A 9 6.009 -1.679 4.267 1.00 0.00 N ATOM 89 CA ARG A 9 5.335 -2.067 5.500 1.00 0.00 C ATOM 90 C ARG A 9 4.035 -1.289 5.677 1.00 0.00 C ATOM 91 O ARG A 9 3.781 -0.316 4.967 1.00 0.00 O ATOM 92 CB ARG A 9 6.251 -1.833 6.703 1.00 0.00 C ATOM 93 CG ARG A 9 7.295 -2.920 6.894 1.00 0.00 C ATOM 94 CD ARG A 9 7.878 -2.892 8.298 1.00 0.00 C ATOM 95 NE ARG A 9 7.037 -3.609 9.254 1.00 0.00 N ATOM 96 CZ ARG A 9 7.019 -4.935 9.377 1.00 0.00 C ATOM 97 NH1 ARG A 9 7.791 -5.690 8.606 1.00 0.00 N ATOM 98 NH2 ARG A 9 6.226 -5.505 10.273 1.00 0.00 N ATOM 0 H ARG A 9 6.021 -0.674 4.091 1.00 0.00 H new ATOM 0 HA ARG A 9 5.096 -3.129 5.435 1.00 0.00 H new ATOM 0 HB2 ARG A 9 6.755 -0.874 6.584 1.00 0.00 H new ATOM 0 HB3 ARG A 9 5.642 -1.763 7.604 1.00 0.00 H new ATOM 0 HG2 ARG A 9 6.846 -3.895 6.705 1.00 0.00 H new ATOM 0 HG3 ARG A 9 8.094 -2.791 6.164 1.00 0.00 H new ATOM 0 HD2 ARG A 9 8.873 -3.336 8.286 1.00 0.00 H new ATOM 0 HD3 ARG A 9 7.994 -1.858 8.622 1.00 0.00 H new ATOM 0 HE ARG A 9 6.428 -3.062 9.863 1.00 0.00 H new ATOM 0 HH11 ARG A 9 8.402 -5.255 7.915 1.00 0.00 H new ATOM 0 HH12 ARG A 9 7.773 -6.705 8.705 1.00 0.00 H new ATOM 0 HH21 ARG A 9 5.631 -4.928 10.867 1.00 0.00 H new ATOM 0 HH22 ARG A 9 6.211 -6.520 10.368 1.00 0.00 H new ATOM 112 N VAL A 10 3.215 -1.726 6.627 1.00 0.00 N ATOM 113 CA VAL A 10 1.941 -1.070 6.897 1.00 0.00 C ATOM 114 C VAL A 10 2.153 0.296 7.541 1.00 0.00 C ATOM 115 O VAL A 10 2.789 0.407 8.589 1.00 0.00 O ATOM 116 CB VAL A 10 1.051 -1.927 7.817 1.00 0.00 C ATOM 117 CG1 VAL A 10 -0.329 -1.303 7.960 1.00 0.00 C ATOM 118 CG2 VAL A 10 0.947 -3.350 7.288 1.00 0.00 C ATOM 0 H VAL A 10 3.410 -2.531 7.222 1.00 0.00 H new ATOM 0 HA VAL A 10 1.441 -0.943 5.937 1.00 0.00 H new ATOM 0 HB VAL A 10 1.512 -1.963 8.804 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -0.943 -1.923 8.613 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -0.235 -0.306 8.390 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -0.800 -1.233 6.979 1.00 0.00 H new ATOM 0 HG21 VAL A 10 0.314 -3.940 7.952 1.00 0.00 H new ATOM 0 HG22 VAL A 10 0.511 -3.336 6.289 1.00 0.00 H new ATOM 0 HG23 VAL A 10 1.941 -3.795 7.244 1.00 0.00 H new ATOM 128 N GLY A 11 1.612 1.333 6.909 1.00 0.00 N ATOM 129 CA GLY A 11 1.752 2.678 7.436 1.00 0.00 C ATOM 130 C GLY A 11 2.692 3.532 6.608 1.00 0.00 C ATOM 131 O GLY A 11 2.559 4.755 6.570 1.00 0.00 O ATOM 0 H GLY A 11 1.079 1.266 6.042 1.00 0.00 H new ATOM 0 HA2 GLY A 11 0.772 3.154 7.473 1.00 0.00 H new ATOM 0 HA3 GLY A 11 2.121 2.627 8.461 1.00 0.00 H new ATOM 135 N GLU A 12 3.646 2.886 5.945 1.00 0.00 N ATOM 136 CA GLU A 12 4.613 3.594 5.114 1.00 0.00 C ATOM 137 C GLU A 12 3.955 4.125 3.845 1.00 0.00 C ATOM 138 O GLU A 12 3.092 3.470 3.261 1.00 0.00 O ATOM 139 CB GLU A 12 5.778 2.671 4.751 1.00 0.00 C ATOM 140 CG GLU A 12 6.566 2.184 5.956 1.00 0.00 C ATOM 141 CD GLU A 12 7.900 1.575 5.572 1.00 0.00 C ATOM 142 OE1 GLU A 12 7.915 0.405 5.138 1.00 0.00 O ATOM 143 OE2 GLU A 12 8.930 2.270 5.706 1.00 0.00 O ATOM 0 H GLU A 12 3.770 1.874 5.967 1.00 0.00 H new ATOM 0 HA GLU A 12 4.994 4.441 5.685 1.00 0.00 H new ATOM 0 HB2 GLU A 12 5.392 1.809 4.207 1.00 0.00 H new ATOM 0 HB3 GLU A 12 6.452 3.198 4.076 1.00 0.00 H new ATOM 0 HG2 GLU A 12 6.734 3.018 6.637 1.00 0.00 H new ATOM 0 HG3 GLU A 12 5.975 1.445 6.497 1.00 0.00 H new ATOM 150 N ARG A 13 4.369 5.315 3.423 1.00 0.00 N ATOM 151 CA ARG A 13 3.819 5.934 2.222 1.00 0.00 C ATOM 152 C ARG A 13 4.481 5.370 0.969 1.00 0.00 C ATOM 153 O ARG A 13 5.706 5.316 0.872 1.00 0.00 O ATOM 154 CB ARG A 13 4.008 7.451 2.273 1.00 0.00 C ATOM 155 CG ARG A 13 2.903 8.226 1.571 1.00 0.00 C ATOM 156 CD ARG A 13 1.969 8.899 2.566 1.00 0.00 C ATOM 157 NE ARG A 13 1.734 10.301 2.232 1.00 0.00 N ATOM 158 CZ ARG A 13 0.870 10.708 1.305 1.00 0.00 C ATOM 159 NH1 ARG A 13 0.159 9.825 0.616 1.00 0.00 N ATOM 160 NH2 ARG A 13 0.717 12.004 1.066 1.00 0.00 N ATOM 0 H ARG A 13 5.083 5.870 3.894 1.00 0.00 H new ATOM 0 HA ARG A 13 2.753 5.709 2.182 1.00 0.00 H new ATOM 0 HB2 ARG A 13 4.057 7.768 3.315 1.00 0.00 H new ATOM 0 HB3 ARG A 13 4.965 7.705 1.817 1.00 0.00 H new ATOM 0 HG2 ARG A 13 3.345 8.980 0.919 1.00 0.00 H new ATOM 0 HG3 ARG A 13 2.332 7.550 0.935 1.00 0.00 H new ATOM 0 HD2 ARG A 13 1.018 8.367 2.588 1.00 0.00 H new ATOM 0 HD3 ARG A 13 2.395 8.831 3.567 1.00 0.00 H new ATOM 0 HE ARG A 13 2.263 11.010 2.739 1.00 0.00 H new ATOM 0 HH11 ARG A 13 0.273 8.827 0.795 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -0.501 10.144 -0.093 1.00 0.00 H new ATOM 0 HH21 ARG A 13 1.261 12.687 1.592 1.00 0.00 H new ATOM 0 HH22 ARG A 13 0.055 12.317 0.356 1.00 0.00 H new ATOM 174 N VAL A 14 3.660 4.949 0.011 1.00 0.00 N ATOM 175 CA VAL A 14 4.165 4.389 -1.237 1.00 0.00 C ATOM 176 C VAL A 14 3.686 5.197 -2.436 1.00 0.00 C ATOM 177 O VAL A 14 2.596 5.770 -2.417 1.00 0.00 O ATOM 178 CB VAL A 14 3.727 2.923 -1.413 1.00 0.00 C ATOM 179 CG1 VAL A 14 4.527 2.011 -0.495 1.00 0.00 C ATOM 180 CG2 VAL A 14 2.235 2.777 -1.154 1.00 0.00 C ATOM 0 H VAL A 14 2.643 4.985 0.076 1.00 0.00 H new ATOM 0 HA VAL A 14 5.253 4.432 -1.185 1.00 0.00 H new ATOM 0 HB VAL A 14 3.925 2.626 -2.443 1.00 0.00 H new ATOM 0 HG11 VAL A 14 4.203 0.980 -0.634 1.00 0.00 H new ATOM 0 HG12 VAL A 14 5.587 2.094 -0.734 1.00 0.00 H new ATOM 0 HG13 VAL A 14 4.365 2.306 0.542 1.00 0.00 H new ATOM 0 HG21 VAL A 14 1.944 1.735 -1.283 1.00 0.00 H new ATOM 0 HG22 VAL A 14 2.010 3.093 -0.136 1.00 0.00 H new ATOM 0 HG23 VAL A 14 1.681 3.398 -1.858 1.00 0.00 H new ATOM 190 N TRP A 15 4.506 5.242 -3.481 1.00 0.00 N ATOM 191 CA TRP A 15 4.166 5.980 -4.691 1.00 0.00 C ATOM 192 C TRP A 15 3.770 5.028 -5.816 1.00 0.00 C ATOM 193 O TRP A 15 4.627 4.445 -6.479 1.00 0.00 O ATOM 194 CB TRP A 15 5.346 6.849 -5.132 1.00 0.00 C ATOM 195 CG TRP A 15 5.196 8.291 -4.755 1.00 0.00 C ATOM 196 CD1 TRP A 15 4.992 9.342 -5.602 1.00 0.00 C ATOM 197 CD2 TRP A 15 5.240 8.842 -3.435 1.00 0.00 C ATOM 198 NE1 TRP A 15 4.906 10.513 -4.889 1.00 0.00 N ATOM 199 CE2 TRP A 15 5.054 10.232 -3.556 1.00 0.00 C ATOM 200 CE3 TRP A 15 5.416 8.295 -2.160 1.00 0.00 C ATOM 201 CZ2 TRP A 15 5.041 11.081 -2.452 1.00 0.00 C ATOM 202 CZ3 TRP A 15 5.403 9.138 -1.066 1.00 0.00 C ATOM 203 CH2 TRP A 15 5.216 10.518 -1.217 1.00 0.00 C ATOM 0 H TRP A 15 5.412 4.775 -3.514 1.00 0.00 H new ATOM 0 HA TRP A 15 3.315 6.623 -4.468 1.00 0.00 H new ATOM 0 HB2 TRP A 15 6.261 6.458 -4.688 1.00 0.00 H new ATOM 0 HB3 TRP A 15 5.459 6.774 -6.213 1.00 0.00 H new ATOM 0 HD1 TRP A 15 4.910 9.264 -6.676 1.00 0.00 H new ATOM 0 HE1 TRP A 15 4.756 11.440 -5.287 1.00 0.00 H new ATOM 0 HE3 TRP A 15 5.560 7.232 -2.033 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 4.898 12.145 -2.566 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 5.539 8.726 -0.077 1.00 0.00 H new ATOM 0 HH2 TRP A 15 5.210 11.150 -0.341 1.00 0.00 H new ATOM 214 N VAL A 16 2.466 4.878 -6.026 1.00 0.00 N ATOM 215 CA VAL A 16 1.958 3.998 -7.071 1.00 0.00 C ATOM 216 C VAL A 16 2.192 4.601 -8.453 1.00 0.00 C ATOM 217 O VAL A 16 1.938 5.784 -8.675 1.00 0.00 O ATOM 218 CB VAL A 16 0.453 3.720 -6.892 1.00 0.00 C ATOM 219 CG1 VAL A 16 -0.019 2.671 -7.887 1.00 0.00 C ATOM 220 CG2 VAL A 16 0.155 3.282 -5.464 1.00 0.00 C ATOM 0 H VAL A 16 1.743 5.354 -5.487 1.00 0.00 H new ATOM 0 HA VAL A 16 2.503 3.058 -6.988 1.00 0.00 H new ATOM 0 HB VAL A 16 -0.093 4.644 -7.086 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -1.084 2.488 -7.745 1.00 0.00 H new ATOM 0 HG12 VAL A 16 0.156 3.028 -8.902 1.00 0.00 H new ATOM 0 HG13 VAL A 16 0.533 1.744 -7.728 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -0.913 3.090 -5.358 1.00 0.00 H new ATOM 0 HG22 VAL A 16 0.711 2.372 -5.239 1.00 0.00 H new ATOM 0 HG23 VAL A 16 0.453 4.070 -4.772 1.00 0.00 H new ATOM 230 N ASN A 17 2.679 3.779 -9.377 1.00 0.00 N ATOM 231 CA ASN A 17 2.949 4.233 -10.737 1.00 0.00 C ATOM 232 C ASN A 17 3.927 5.406 -10.740 1.00 0.00 C ATOM 233 O ASN A 17 3.978 6.179 -11.697 1.00 0.00 O ATOM 234 CB ASN A 17 1.647 4.639 -11.428 1.00 0.00 C ATOM 235 CG ASN A 17 0.981 3.475 -12.136 1.00 0.00 C ATOM 236 OD1 ASN A 17 0.085 2.831 -11.590 1.00 0.00 O ATOM 237 ND2 ASN A 17 1.416 3.200 -13.361 1.00 0.00 N ATOM 0 H ASN A 17 2.895 2.796 -9.209 1.00 0.00 H new ATOM 0 HA ASN A 17 3.402 3.406 -11.284 1.00 0.00 H new ATOM 0 HB2 ASN A 17 0.960 5.052 -10.689 1.00 0.00 H new ATOM 0 HB3 ASN A 17 1.853 5.430 -12.149 1.00 0.00 H new ATOM 0 HD21 ASN A 17 1.005 2.429 -13.887 1.00 0.00 H new ATOM 0 HD22 ASN A 17 2.161 3.760 -13.775 1.00 0.00 H new ATOM 244 N GLY A 18 4.704 5.531 -9.668 1.00 0.00 N ATOM 245 CA GLY A 18 5.670 6.610 -9.572 1.00 0.00 C ATOM 246 C GLY A 18 5.035 7.980 -9.718 1.00 0.00 C ATOM 247 O GLY A 18 5.645 8.897 -10.268 1.00 0.00 O ATOM 0 H GLY A 18 4.682 4.904 -8.864 1.00 0.00 H new ATOM 0 HA2 GLY A 18 6.180 6.551 -8.610 1.00 0.00 H new ATOM 0 HA3 GLY A 18 6.429 6.482 -10.344 1.00 0.00 H new ATOM 251 N ASN A 19 3.809 8.121 -9.225 1.00 0.00 N ATOM 252 CA ASN A 19 3.096 9.392 -9.305 1.00 0.00 C ATOM 253 C ASN A 19 1.742 9.308 -8.605 1.00 0.00 C ATOM 254 O ASN A 19 0.763 9.900 -9.058 1.00 0.00 O ATOM 255 CB ASN A 19 2.902 9.799 -10.768 1.00 0.00 C ATOM 256 CG ASN A 19 3.064 11.292 -10.978 1.00 0.00 C ATOM 257 OD1 ASN A 19 2.086 12.041 -10.975 1.00 0.00 O ATOM 258 ND2 ASN A 19 4.303 11.732 -11.161 1.00 0.00 N ATOM 0 H ASN A 19 3.289 7.373 -8.767 1.00 0.00 H new ATOM 0 HA ASN A 19 3.697 10.147 -8.799 1.00 0.00 H new ATOM 0 HB2 ASN A 19 3.623 9.267 -11.389 1.00 0.00 H new ATOM 0 HB3 ASN A 19 1.909 9.494 -11.099 1.00 0.00 H new ATOM 0 HD21 ASN A 19 4.475 12.727 -11.307 1.00 0.00 H new ATOM 0 HD22 ASN A 19 5.083 11.075 -11.156 1.00 0.00 H new ATOM 265 N LYS A 20 1.696 8.574 -7.498 1.00 0.00 N ATOM 266 CA LYS A 20 0.461 8.417 -6.736 1.00 0.00 C ATOM 267 C LYS A 20 0.757 7.964 -5.307 1.00 0.00 C ATOM 268 O LYS A 20 0.788 6.768 -5.021 1.00 0.00 O ATOM 269 CB LYS A 20 -0.464 7.410 -7.420 1.00 0.00 C ATOM 270 CG LYS A 20 -1.101 7.936 -8.696 1.00 0.00 C ATOM 271 CD LYS A 20 -2.360 7.163 -9.051 1.00 0.00 C ATOM 272 CE LYS A 20 -3.172 7.879 -10.117 1.00 0.00 C ATOM 273 NZ LYS A 20 -4.009 6.934 -10.909 1.00 0.00 N ATOM 0 H LYS A 20 2.498 8.079 -7.108 1.00 0.00 H new ATOM 0 HA LYS A 20 -0.036 9.386 -6.697 1.00 0.00 H new ATOM 0 HB2 LYS A 20 0.103 6.508 -7.652 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -1.251 7.121 -6.723 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -1.343 8.992 -8.574 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -0.386 7.866 -9.516 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -2.090 6.168 -9.405 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -2.969 7.028 -8.157 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -3.813 8.624 -9.645 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -2.499 8.416 -10.786 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -4.547 7.463 -11.625 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -3.396 6.239 -11.380 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -4.669 6.440 -10.275 1.00 0.00 H new ATOM 287 N PRO A 21 0.979 8.921 -4.388 1.00 0.00 N ATOM 288 CA PRO A 21 1.272 8.612 -2.985 1.00 0.00 C ATOM 289 C PRO A 21 0.053 8.070 -2.245 1.00 0.00 C ATOM 290 O PRO A 21 -1.085 8.393 -2.585 1.00 0.00 O ATOM 291 CB PRO A 21 1.691 9.964 -2.405 1.00 0.00 C ATOM 292 CG PRO A 21 1.011 10.971 -3.264 1.00 0.00 C ATOM 293 CD PRO A 21 0.961 10.373 -4.644 1.00 0.00 C ATOM 0 HA PRO A 21 2.032 7.837 -2.888 1.00 0.00 H new ATOM 0 HB2 PRO A 21 1.384 10.060 -1.363 1.00 0.00 H new ATOM 0 HB3 PRO A 21 2.774 10.088 -2.431 1.00 0.00 H new ATOM 0 HG2 PRO A 21 0.008 11.185 -2.895 1.00 0.00 H new ATOM 0 HG3 PRO A 21 1.558 11.914 -3.267 1.00 0.00 H new ATOM 0 HD2 PRO A 21 0.062 10.675 -5.181 1.00 0.00 H new ATOM 0 HD3 PRO A 21 1.813 10.685 -5.248 1.00 0.00 H new ATOM 301 N GLY A 22 0.300 7.245 -1.235 1.00 0.00 N ATOM 302 CA GLY A 22 -0.787 6.672 -0.463 1.00 0.00 C ATOM 303 C GLY A 22 -0.296 5.872 0.728 1.00 0.00 C ATOM 304 O GLY A 22 0.826 5.366 0.725 1.00 0.00 O ATOM 0 H GLY A 22 1.233 6.962 -0.936 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -1.441 7.471 -0.115 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -1.386 6.028 -1.107 1.00 0.00 H new ATOM 308 N PHE A 23 -1.139 5.758 1.749 1.00 0.00 N ATOM 309 CA PHE A 23 -0.786 5.015 2.952 1.00 0.00 C ATOM 310 C PHE A 23 -1.192 3.550 2.826 1.00 0.00 C ATOM 311 O PHE A 23 -2.299 3.239 2.387 1.00 0.00 O ATOM 312 CB PHE A 23 -1.458 5.638 4.178 1.00 0.00 C ATOM 313 CG PHE A 23 -0.843 6.941 4.603 1.00 0.00 C ATOM 314 CD1 PHE A 23 -1.094 8.104 3.894 1.00 0.00 C ATOM 315 CD2 PHE A 23 -0.015 7.002 5.712 1.00 0.00 C ATOM 316 CE1 PHE A 23 -0.531 9.305 4.282 1.00 0.00 C ATOM 317 CE2 PHE A 23 0.552 8.200 6.105 1.00 0.00 C ATOM 318 CZ PHE A 23 0.294 9.353 5.389 1.00 0.00 C ATOM 0 H PHE A 23 -2.071 6.171 1.767 1.00 0.00 H new ATOM 0 HA PHE A 23 0.296 5.065 3.074 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -2.514 5.798 3.961 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -1.406 4.933 5.008 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -1.738 8.072 3.027 1.00 0.00 H new ATOM 0 HD2 PHE A 23 0.190 6.104 6.276 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -0.736 10.205 3.721 1.00 0.00 H new ATOM 0 HE2 PHE A 23 1.196 8.235 6.971 1.00 0.00 H new ATOM 0 HZ PHE A 23 0.736 10.290 5.694 1.00 0.00 H new ATOM 328 N ILE A 24 -0.290 2.655 3.216 1.00 0.00 N ATOM 329 CA ILE A 24 -0.556 1.223 3.146 1.00 0.00 C ATOM 330 C ILE A 24 -1.288 0.740 4.394 1.00 0.00 C ATOM 331 O ILE A 24 -0.832 0.957 5.516 1.00 0.00 O ATOM 332 CB ILE A 24 0.746 0.415 2.985 1.00 0.00 C ATOM 333 CG1 ILE A 24 1.595 0.997 1.853 1.00 0.00 C ATOM 334 CG2 ILE A 24 0.430 -1.049 2.718 1.00 0.00 C ATOM 335 CD1 ILE A 24 3.042 0.551 1.892 1.00 0.00 C ATOM 0 H ILE A 24 0.631 2.896 3.583 1.00 0.00 H new ATOM 0 HA ILE A 24 -1.185 1.061 2.271 1.00 0.00 H new ATOM 0 HB ILE A 24 1.315 0.481 3.912 1.00 0.00 H new ATOM 0 HG12 ILE A 24 1.159 0.707 0.897 1.00 0.00 H new ATOM 0 HG13 ILE A 24 1.557 2.085 1.904 1.00 0.00 H new ATOM 0 HG21 ILE A 24 1.359 -1.607 2.606 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -0.140 -1.456 3.553 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -0.156 -1.134 1.803 1.00 0.00 H new ATOM 0 HD11 ILE A 24 3.584 1.002 1.061 1.00 0.00 H new ATOM 0 HD12 ILE A 24 3.494 0.865 2.833 1.00 0.00 H new ATOM 0 HD13 ILE A 24 3.090 -0.535 1.810 1.00 0.00 H new ATOM 347 N GLN A 25 -2.427 0.085 4.189 1.00 0.00 N ATOM 348 CA GLN A 25 -3.222 -0.428 5.298 1.00 0.00 C ATOM 349 C GLN A 25 -3.119 -1.948 5.387 1.00 0.00 C ATOM 350 O GLN A 25 -2.709 -2.494 6.411 1.00 0.00 O ATOM 351 CB GLN A 25 -4.686 -0.014 5.139 1.00 0.00 C ATOM 352 CG GLN A 25 -4.972 1.404 5.608 1.00 0.00 C ATOM 353 CD GLN A 25 -4.922 1.539 7.116 1.00 0.00 C ATOM 354 OE1 GLN A 25 -5.892 1.236 7.811 1.00 0.00 O ATOM 355 NE2 GLN A 25 -3.789 1.998 7.632 1.00 0.00 N ATOM 0 H GLN A 25 -2.819 -0.102 3.266 1.00 0.00 H new ATOM 0 HA GLN A 25 -2.828 -0.001 6.220 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -4.969 -0.105 4.090 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -5.314 -0.707 5.700 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -4.246 2.084 5.162 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -5.956 1.709 5.252 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -3.010 2.237 7.019 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -3.698 2.112 8.642 1.00 0.00 H new ATOM 364 N PHE A 26 -3.496 -2.625 4.307 1.00 0.00 N ATOM 365 CA PHE A 26 -3.446 -4.082 4.263 1.00 0.00 C ATOM 366 C PHE A 26 -2.211 -4.563 3.511 1.00 0.00 C ATOM 367 O PHE A 26 -1.779 -3.938 2.542 1.00 0.00 O ATOM 368 CB PHE A 26 -4.710 -4.635 3.600 1.00 0.00 C ATOM 369 CG PHE A 26 -4.972 -6.079 3.918 1.00 0.00 C ATOM 370 CD1 PHE A 26 -5.657 -6.436 5.068 1.00 0.00 C ATOM 371 CD2 PHE A 26 -4.533 -7.080 3.066 1.00 0.00 C ATOM 372 CE1 PHE A 26 -5.900 -7.764 5.363 1.00 0.00 C ATOM 373 CE2 PHE A 26 -4.773 -8.410 3.356 1.00 0.00 C ATOM 374 CZ PHE A 26 -5.457 -8.752 4.506 1.00 0.00 C ATOM 0 H PHE A 26 -3.839 -2.188 3.451 1.00 0.00 H new ATOM 0 HA PHE A 26 -3.389 -4.450 5.287 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -5.567 -4.040 3.917 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -4.624 -4.519 2.520 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -6.005 -5.667 5.742 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -3.997 -6.818 2.165 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -6.436 -8.029 6.263 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -4.426 -9.181 2.684 1.00 0.00 H new ATOM 0 HZ PHE A 26 -5.645 -9.791 4.735 1.00 0.00 H new ATOM 384 N LEU A 27 -1.646 -5.678 3.963 1.00 0.00 N ATOM 385 CA LEU A 27 -0.460 -6.244 3.332 1.00 0.00 C ATOM 386 C LEU A 27 -0.525 -7.768 3.321 1.00 0.00 C ATOM 387 O LEU A 27 -0.236 -8.419 4.325 1.00 0.00 O ATOM 388 CB LEU A 27 0.803 -5.780 4.062 1.00 0.00 C ATOM 389 CG LEU A 27 1.410 -4.476 3.540 1.00 0.00 C ATOM 390 CD1 LEU A 27 2.690 -4.145 4.292 1.00 0.00 C ATOM 391 CD2 LEU A 27 1.677 -4.573 2.046 1.00 0.00 C ATOM 0 H LEU A 27 -1.991 -6.207 4.764 1.00 0.00 H new ATOM 0 HA LEU A 27 -0.424 -5.892 2.301 1.00 0.00 H new ATOM 0 HB2 LEU A 27 0.569 -5.656 5.119 1.00 0.00 H new ATOM 0 HB3 LEU A 27 1.554 -6.566 3.992 1.00 0.00 H new ATOM 0 HG LEU A 27 0.695 -3.671 3.709 1.00 0.00 H new ATOM 0 HD11 LEU A 27 3.108 -3.215 3.907 1.00 0.00 H new ATOM 0 HD12 LEU A 27 2.470 -4.032 5.354 1.00 0.00 H new ATOM 0 HD13 LEU A 27 3.411 -4.951 4.155 1.00 0.00 H new ATOM 0 HD21 LEU A 27 2.109 -3.637 1.692 1.00 0.00 H new ATOM 0 HD22 LEU A 27 2.373 -5.389 1.853 1.00 0.00 H new ATOM 0 HD23 LEU A 27 0.741 -4.763 1.521 1.00 0.00 H new ATOM 403 N GLY A 28 -0.906 -8.330 2.179 1.00 0.00 N ATOM 404 CA GLY A 28 -1.003 -9.773 2.059 1.00 0.00 C ATOM 405 C GLY A 28 -1.751 -10.202 0.812 1.00 0.00 C ATOM 406 O GLY A 28 -1.271 -10.010 -0.305 1.00 0.00 O ATOM 0 H GLY A 28 -1.149 -7.812 1.335 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -0.001 -10.201 2.043 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -1.508 -10.175 2.938 1.00 0.00 H new ATOM 410 N GLU A 29 -2.932 -10.783 1.002 1.00 0.00 N ATOM 411 CA GLU A 29 -3.747 -11.239 -0.118 1.00 0.00 C ATOM 412 C GLU A 29 -5.222 -10.931 0.122 1.00 0.00 C ATOM 413 O GLU A 29 -5.627 -10.623 1.244 1.00 0.00 O ATOM 414 CB GLU A 29 -3.557 -12.741 -0.338 1.00 0.00 C ATOM 415 CG GLU A 29 -3.643 -13.560 0.939 1.00 0.00 C ATOM 416 CD GLU A 29 -5.070 -13.912 1.312 1.00 0.00 C ATOM 417 OE1 GLU A 29 -5.804 -14.421 0.439 1.00 0.00 O ATOM 418 OE2 GLU A 29 -5.455 -13.678 2.477 1.00 0.00 O ATOM 0 H GLU A 29 -3.345 -10.949 1.920 1.00 0.00 H new ATOM 0 HA GLU A 29 -3.423 -10.705 -1.011 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -4.313 -13.095 -1.038 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -2.586 -12.911 -0.804 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -3.067 -14.477 0.817 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -3.185 -13.002 1.756 1.00 0.00 H new ATOM 425 N THR A 30 -6.019 -11.013 -0.938 1.00 0.00 N ATOM 426 CA THR A 30 -7.449 -10.742 -0.843 1.00 0.00 C ATOM 427 C THR A 30 -8.263 -11.957 -1.272 1.00 0.00 C ATOM 428 O THR A 30 -7.709 -13.006 -1.598 1.00 0.00 O ATOM 429 CB THR A 30 -7.817 -9.535 -1.707 1.00 0.00 C ATOM 430 OG1 THR A 30 -7.355 -9.709 -3.034 1.00 0.00 O ATOM 431 CG2 THR A 30 -7.248 -8.232 -1.189 1.00 0.00 C ATOM 0 H THR A 30 -5.699 -11.265 -1.873 1.00 0.00 H new ATOM 0 HA THR A 30 -7.684 -10.521 0.198 1.00 0.00 H new ATOM 0 HB THR A 30 -8.905 -9.476 -1.672 1.00 0.00 H new ATOM 0 HG1 THR A 30 -8.017 -9.349 -3.661 1.00 0.00 H new ATOM 0 HG21 THR A 30 -7.547 -7.417 -1.848 1.00 0.00 H new ATOM 0 HG22 THR A 30 -7.626 -8.044 -0.184 1.00 0.00 H new ATOM 0 HG23 THR A 30 -6.160 -8.296 -1.161 1.00 0.00 H new ATOM 439 N GLN A 31 -9.584 -11.808 -1.268 1.00 0.00 N ATOM 440 CA GLN A 31 -10.477 -12.894 -1.657 1.00 0.00 C ATOM 441 C GLN A 31 -10.850 -12.789 -3.132 1.00 0.00 C ATOM 442 O GLN A 31 -10.989 -13.799 -3.821 1.00 0.00 O ATOM 443 CB GLN A 31 -11.742 -12.875 -0.797 1.00 0.00 C ATOM 444 CG GLN A 31 -11.465 -12.973 0.694 1.00 0.00 C ATOM 445 CD GLN A 31 -11.841 -14.324 1.270 1.00 0.00 C ATOM 446 OE1 GLN A 31 -11.105 -15.301 1.126 1.00 0.00 O ATOM 447 NE2 GLN A 31 -12.993 -14.388 1.928 1.00 0.00 N ATOM 0 H GLN A 31 -10.060 -10.946 -1.000 1.00 0.00 H new ATOM 0 HA GLN A 31 -9.953 -13.836 -1.499 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -12.293 -11.956 -0.996 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -12.386 -13.703 -1.094 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -10.407 -12.787 0.876 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -12.020 -12.193 1.215 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -13.573 -13.554 2.024 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -13.298 -15.271 2.337 1.00 0.00 H new ATOM 456 N PHE A 32 -11.012 -11.558 -3.611 1.00 0.00 N ATOM 457 CA PHE A 32 -11.371 -11.322 -5.004 1.00 0.00 C ATOM 458 C PHE A 32 -10.297 -11.865 -5.942 1.00 0.00 C ATOM 459 O PHE A 32 -10.592 -12.298 -7.056 1.00 0.00 O ATOM 460 CB PHE A 32 -11.572 -9.826 -5.254 1.00 0.00 C ATOM 461 CG PHE A 32 -10.342 -9.002 -5.002 1.00 0.00 C ATOM 462 CD1 PHE A 32 -9.338 -8.923 -5.954 1.00 0.00 C ATOM 463 CD2 PHE A 32 -10.189 -8.308 -3.813 1.00 0.00 C ATOM 464 CE1 PHE A 32 -8.205 -8.168 -5.726 1.00 0.00 C ATOM 465 CE2 PHE A 32 -9.057 -7.550 -3.578 1.00 0.00 C ATOM 466 CZ PHE A 32 -8.064 -7.479 -4.537 1.00 0.00 C ATOM 0 H PHE A 32 -10.900 -10.710 -3.055 1.00 0.00 H new ATOM 0 HA PHE A 32 -12.305 -11.847 -5.206 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -11.892 -9.679 -6.285 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -12.378 -9.465 -4.615 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -9.443 -9.459 -6.886 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -10.963 -8.360 -3.061 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -7.430 -8.116 -6.476 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -8.949 -7.014 -2.647 1.00 0.00 H new ATOM 0 HZ PHE A 32 -7.180 -6.886 -4.357 1.00 0.00 H new ATOM 476 N ALA A 33 -9.049 -11.839 -5.483 1.00 0.00 N ATOM 477 CA ALA A 33 -7.933 -12.331 -6.281 1.00 0.00 C ATOM 478 C ALA A 33 -6.811 -12.862 -5.389 1.00 0.00 C ATOM 479 O ALA A 33 -6.400 -12.199 -4.437 1.00 0.00 O ATOM 480 CB ALA A 33 -7.408 -11.228 -7.188 1.00 0.00 C ATOM 0 H ALA A 33 -8.786 -11.483 -4.564 1.00 0.00 H new ATOM 0 HA ALA A 33 -8.294 -13.155 -6.897 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -6.575 -11.608 -7.779 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -8.204 -10.896 -7.855 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -7.069 -10.388 -6.581 1.00 0.00 H new ATOM 486 N PRO A 34 -6.299 -14.072 -5.682 1.00 0.00 N ATOM 487 CA PRO A 34 -5.224 -14.683 -4.898 1.00 0.00 C ATOM 488 C PRO A 34 -3.863 -14.065 -5.200 1.00 0.00 C ATOM 489 O PRO A 34 -3.747 -13.172 -6.039 1.00 0.00 O ATOM 490 CB PRO A 34 -5.258 -16.144 -5.342 1.00 0.00 C ATOM 491 CG PRO A 34 -5.767 -16.098 -6.740 1.00 0.00 C ATOM 492 CD PRO A 34 -6.728 -14.939 -6.799 1.00 0.00 C ATOM 0 HA PRO A 34 -5.366 -14.543 -3.826 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -4.267 -16.596 -5.295 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -5.910 -16.738 -4.702 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -4.949 -15.962 -7.448 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -6.265 -17.031 -7.004 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -6.670 -14.419 -7.755 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -7.760 -15.268 -6.677 1.00 0.00 H new ATOM 500 N GLY A 35 -2.834 -14.547 -4.511 1.00 0.00 N ATOM 501 CA GLY A 35 -1.494 -14.031 -4.720 1.00 0.00 C ATOM 502 C GLY A 35 -1.071 -13.055 -3.640 1.00 0.00 C ATOM 503 O GLY A 35 -1.164 -13.356 -2.451 1.00 0.00 O ATOM 0 H GLY A 35 -2.904 -15.286 -3.811 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -0.789 -14.862 -4.750 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -1.446 -13.537 -5.690 1.00 0.00 H new ATOM 507 N GLN A 36 -0.603 -11.882 -4.056 1.00 0.00 N ATOM 508 CA GLN A 36 -0.163 -10.858 -3.116 1.00 0.00 C ATOM 509 C GLN A 36 -0.638 -9.477 -3.553 1.00 0.00 C ATOM 510 O GLN A 36 -0.470 -9.088 -4.709 1.00 0.00 O ATOM 511 CB GLN A 36 1.362 -10.870 -2.993 1.00 0.00 C ATOM 512 CG GLN A 36 1.920 -12.180 -2.459 1.00 0.00 C ATOM 513 CD GLN A 36 2.037 -12.190 -0.947 1.00 0.00 C ATOM 514 OE1 GLN A 36 3.119 -11.988 -0.396 1.00 0.00 O ATOM 515 NE2 GLN A 36 0.920 -12.426 -0.269 1.00 0.00 N ATOM 0 H GLN A 36 -0.519 -11.618 -5.038 1.00 0.00 H new ATOM 0 HA GLN A 36 -0.601 -11.082 -2.143 1.00 0.00 H new ATOM 0 HB2 GLN A 36 1.799 -10.671 -3.972 1.00 0.00 H new ATOM 0 HB3 GLN A 36 1.671 -10.058 -2.335 1.00 0.00 H new ATOM 0 HG2 GLN A 36 1.276 -13.001 -2.775 1.00 0.00 H new ATOM 0 HG3 GLN A 36 2.902 -12.358 -2.897 1.00 0.00 H new ATOM 0 HE21 GLN A 36 0.045 -12.588 -0.768 1.00 0.00 H new ATOM 0 HE22 GLN A 36 0.937 -12.445 0.751 1.00 0.00 H new ATOM 524 N TRP A 37 -1.233 -8.739 -2.622 1.00 0.00 N ATOM 525 CA TRP A 37 -1.734 -7.400 -2.911 1.00 0.00 C ATOM 526 C TRP A 37 -1.301 -6.413 -1.831 1.00 0.00 C ATOM 527 O TRP A 37 -0.897 -6.812 -0.738 1.00 0.00 O ATOM 528 CB TRP A 37 -3.259 -7.415 -3.023 1.00 0.00 C ATOM 529 CG TRP A 37 -3.769 -8.374 -4.055 1.00 0.00 C ATOM 530 CD1 TRP A 37 -4.318 -9.603 -3.831 1.00 0.00 C ATOM 531 CD2 TRP A 37 -3.778 -8.182 -5.474 1.00 0.00 C ATOM 532 NE1 TRP A 37 -4.666 -10.188 -5.025 1.00 0.00 N ATOM 533 CE2 TRP A 37 -4.345 -9.336 -6.048 1.00 0.00 C ATOM 534 CE3 TRP A 37 -3.360 -7.146 -6.316 1.00 0.00 C ATOM 535 CZ2 TRP A 37 -4.506 -9.481 -7.423 1.00 0.00 C ATOM 536 CZ3 TRP A 37 -3.520 -7.293 -7.681 1.00 0.00 C ATOM 537 CH2 TRP A 37 -4.089 -8.452 -8.223 1.00 0.00 C ATOM 0 H TRP A 37 -1.380 -9.046 -1.660 1.00 0.00 H new ATOM 0 HA TRP A 37 -1.311 -7.079 -3.863 1.00 0.00 H new ATOM 0 HB2 TRP A 37 -3.685 -7.675 -2.054 1.00 0.00 H new ATOM 0 HB3 TRP A 37 -3.608 -6.411 -3.266 1.00 0.00 H new ATOM 0 HD1 TRP A 37 -4.458 -10.050 -2.858 1.00 0.00 H new ATOM 0 HE1 TRP A 37 -5.094 -11.108 -5.132 1.00 0.00 H new ATOM 0 HE3 TRP A 37 -2.921 -6.248 -5.907 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 -4.944 -10.374 -7.844 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 -3.201 -6.500 -8.341 1.00 0.00 H new ATOM 0 HH2 TRP A 37 -4.201 -8.535 -9.294 1.00 0.00 H new ATOM 548 N ALA A 38 -1.390 -5.124 -2.144 1.00 0.00 N ATOM 549 CA ALA A 38 -1.008 -4.082 -1.200 1.00 0.00 C ATOM 550 C ALA A 38 -2.087 -3.010 -1.099 1.00 0.00 C ATOM 551 O ALA A 38 -2.237 -2.179 -1.995 1.00 0.00 O ATOM 552 CB ALA A 38 0.319 -3.460 -1.610 1.00 0.00 C ATOM 0 H ALA A 38 -1.723 -4.777 -3.044 1.00 0.00 H new ATOM 0 HA ALA A 38 -0.895 -4.540 -0.217 1.00 0.00 H new ATOM 0 HB1 ALA A 38 0.593 -2.683 -0.896 1.00 0.00 H new ATOM 0 HB2 ALA A 38 1.092 -4.228 -1.624 1.00 0.00 H new ATOM 0 HB3 ALA A 38 0.224 -3.023 -2.604 1.00 0.00 H new ATOM 558 N GLY A 39 -2.839 -3.034 -0.003 1.00 0.00 N ATOM 559 CA GLY A 39 -3.895 -2.060 0.195 1.00 0.00 C ATOM 560 C GLY A 39 -3.359 -0.682 0.529 1.00 0.00 C ATOM 561 O GLY A 39 -2.814 -0.467 1.612 1.00 0.00 O ATOM 0 H GLY A 39 -2.735 -3.712 0.752 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -4.504 -2.001 -0.707 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -4.549 -2.397 0.999 1.00 0.00 H new ATOM 565 N ILE A 40 -3.513 0.253 -0.401 1.00 0.00 N ATOM 566 CA ILE A 40 -3.040 1.618 -0.201 1.00 0.00 C ATOM 567 C ILE A 40 -4.203 2.604 -0.183 1.00 0.00 C ATOM 568 O ILE A 40 -5.254 2.351 -0.771 1.00 0.00 O ATOM 569 CB ILE A 40 -2.043 2.036 -1.300 1.00 0.00 C ATOM 570 CG1 ILE A 40 -0.944 0.984 -1.453 1.00 0.00 C ATOM 571 CG2 ILE A 40 -1.440 3.397 -0.980 1.00 0.00 C ATOM 572 CD1 ILE A 40 -0.382 0.896 -2.855 1.00 0.00 C ATOM 0 H ILE A 40 -3.962 0.091 -1.302 1.00 0.00 H new ATOM 0 HA ILE A 40 -2.533 1.639 0.764 1.00 0.00 H new ATOM 0 HB ILE A 40 -2.581 2.111 -2.245 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -0.135 1.212 -0.760 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -1.342 0.010 -1.168 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -0.738 3.678 -1.765 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -2.234 4.142 -0.919 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -0.916 3.347 -0.026 1.00 0.00 H new ATOM 0 HD11 ILE A 40 0.392 0.130 -2.889 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -1.180 0.637 -3.551 1.00 0.00 H new ATOM 0 HD13 ILE A 40 0.047 1.858 -3.136 1.00 0.00 H new ATOM 584 N VAL A 41 -4.007 3.729 0.497 1.00 0.00 N ATOM 585 CA VAL A 41 -5.039 4.755 0.591 1.00 0.00 C ATOM 586 C VAL A 41 -4.615 6.030 -0.130 1.00 0.00 C ATOM 587 O VAL A 41 -3.781 6.787 0.368 1.00 0.00 O ATOM 588 CB VAL A 41 -5.363 5.093 2.059 1.00 0.00 C ATOM 589 CG1 VAL A 41 -6.569 6.014 2.142 1.00 0.00 C ATOM 590 CG2 VAL A 41 -5.598 3.820 2.860 1.00 0.00 C ATOM 0 H VAL A 41 -3.143 3.953 0.991 1.00 0.00 H new ATOM 0 HA VAL A 41 -5.931 4.350 0.113 1.00 0.00 H new ATOM 0 HB VAL A 41 -4.508 5.614 2.490 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -6.782 6.241 3.187 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -6.358 6.939 1.605 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -7.433 5.523 1.694 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -5.825 4.078 3.894 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -6.435 3.269 2.431 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -4.702 3.200 2.829 1.00 0.00 H new ATOM 600 N LEU A 42 -5.195 6.261 -1.302 1.00 0.00 N ATOM 601 CA LEU A 42 -4.876 7.445 -2.091 1.00 0.00 C ATOM 602 C LEU A 42 -5.384 8.709 -1.406 1.00 0.00 C ATOM 603 O LEU A 42 -6.382 8.680 -0.685 1.00 0.00 O ATOM 604 CB LEU A 42 -5.485 7.330 -3.491 1.00 0.00 C ATOM 605 CG LEU A 42 -5.100 6.068 -4.263 1.00 0.00 C ATOM 606 CD1 LEU A 42 -5.768 6.052 -5.629 1.00 0.00 C ATOM 607 CD2 LEU A 42 -3.588 5.973 -4.407 1.00 0.00 C ATOM 0 H LEU A 42 -5.888 5.645 -1.727 1.00 0.00 H new ATOM 0 HA LEU A 42 -3.791 7.511 -2.178 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -6.571 7.366 -3.402 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -5.184 8.200 -4.074 1.00 0.00 H new ATOM 0 HG LEU A 42 -5.448 5.201 -3.701 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -5.482 5.146 -6.163 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -6.851 6.073 -5.505 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -5.451 6.925 -6.199 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -3.331 5.069 -4.959 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -3.218 6.845 -4.947 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -3.130 5.937 -3.419 1.00 0.00 H new ATOM 619 N ASP A 43 -4.690 9.820 -1.635 1.00 0.00 N ATOM 620 CA ASP A 43 -5.070 11.095 -1.038 1.00 0.00 C ATOM 621 C ASP A 43 -6.393 11.592 -1.615 1.00 0.00 C ATOM 622 O ASP A 43 -7.245 12.102 -0.889 1.00 0.00 O ATOM 623 CB ASP A 43 -3.976 12.138 -1.271 1.00 0.00 C ATOM 624 CG ASP A 43 -4.074 13.304 -0.309 1.00 0.00 C ATOM 625 OD1 ASP A 43 -5.179 13.545 0.223 1.00 0.00 O ATOM 626 OD2 ASP A 43 -3.046 13.979 -0.086 1.00 0.00 O ATOM 0 H ASP A 43 -3.862 9.863 -2.229 1.00 0.00 H new ATOM 0 HA ASP A 43 -5.195 10.943 0.034 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -2.999 11.665 -1.166 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -4.043 12.508 -2.294 1.00 0.00 H new ATOM 631 N GLU A 44 -6.555 11.440 -2.926 1.00 0.00 N ATOM 632 CA GLU A 44 -7.774 11.874 -3.600 1.00 0.00 C ATOM 633 C GLU A 44 -8.568 10.675 -4.114 1.00 0.00 C ATOM 634 O GLU A 44 -8.036 9.571 -4.230 1.00 0.00 O ATOM 635 CB GLU A 44 -7.433 12.810 -4.761 1.00 0.00 C ATOM 636 CG GLU A 44 -7.420 14.280 -4.373 1.00 0.00 C ATOM 637 CD GLU A 44 -6.534 15.114 -5.278 1.00 0.00 C ATOM 638 OE1 GLU A 44 -6.729 15.062 -6.510 1.00 0.00 O ATOM 639 OE2 GLU A 44 -5.646 15.817 -4.754 1.00 0.00 O ATOM 0 H GLU A 44 -5.859 11.020 -3.542 1.00 0.00 H new ATOM 0 HA GLU A 44 -8.388 12.411 -2.877 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -6.455 12.539 -5.160 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -8.157 12.661 -5.562 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -8.437 14.670 -4.407 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -7.076 14.377 -3.343 1.00 0.00 H new ATOM 646 N PRO A 45 -9.859 10.878 -4.429 1.00 0.00 N ATOM 647 CA PRO A 45 -10.727 9.808 -4.931 1.00 0.00 C ATOM 648 C PRO A 45 -10.389 9.416 -6.366 1.00 0.00 C ATOM 649 O PRO A 45 -11.215 9.553 -7.270 1.00 0.00 O ATOM 650 CB PRO A 45 -12.124 10.425 -4.858 1.00 0.00 C ATOM 651 CG PRO A 45 -11.895 11.890 -4.984 1.00 0.00 C ATOM 652 CD PRO A 45 -10.573 12.165 -4.319 1.00 0.00 C ATOM 0 HA PRO A 45 -10.622 8.889 -4.354 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -12.764 10.054 -5.659 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -12.617 10.180 -3.917 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -11.875 12.193 -6.031 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -12.697 12.452 -4.505 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -10.032 12.969 -4.818 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -10.701 12.465 -3.279 1.00 0.00 H new ATOM 660 N ILE A 46 -9.171 8.925 -6.569 1.00 0.00 N ATOM 661 CA ILE A 46 -8.723 8.512 -7.894 1.00 0.00 C ATOM 662 C ILE A 46 -8.347 7.034 -7.911 1.00 0.00 C ATOM 663 O ILE A 46 -7.465 6.616 -8.661 1.00 0.00 O ATOM 664 CB ILE A 46 -7.513 9.342 -8.365 1.00 0.00 C ATOM 665 CG1 ILE A 46 -6.454 9.413 -7.263 1.00 0.00 C ATOM 666 CG2 ILE A 46 -7.957 10.740 -8.771 1.00 0.00 C ATOM 667 CD1 ILE A 46 -5.214 10.180 -7.664 1.00 0.00 C ATOM 0 H ILE A 46 -8.476 8.803 -5.832 1.00 0.00 H new ATOM 0 HA ILE A 46 -9.557 8.682 -8.575 1.00 0.00 H new ATOM 0 HB ILE A 46 -7.072 8.854 -9.234 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -6.891 9.880 -6.380 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -6.169 8.400 -6.979 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -7.092 11.315 -9.101 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -8.679 10.671 -9.585 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -8.419 11.237 -7.918 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -4.507 10.189 -6.834 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -4.753 9.701 -8.528 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -5.486 11.204 -7.920 1.00 0.00 H new ATOM 679 N GLY A 47 -9.023 6.248 -7.080 1.00 0.00 N ATOM 680 CA GLY A 47 -8.745 4.825 -7.014 1.00 0.00 C ATOM 681 C GLY A 47 -9.810 3.994 -7.703 1.00 0.00 C ATOM 682 O GLY A 47 -10.303 4.364 -8.768 1.00 0.00 O ATOM 0 H GLY A 47 -9.758 6.571 -6.451 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -7.778 4.625 -7.475 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -8.670 4.521 -5.970 1.00 0.00 H new ATOM 686 N LYS A 48 -10.163 2.868 -7.093 1.00 0.00 N ATOM 687 CA LYS A 48 -11.175 1.980 -7.652 1.00 0.00 C ATOM 688 C LYS A 48 -12.117 1.477 -6.562 1.00 0.00 C ATOM 689 O LYS A 48 -13.338 1.500 -6.723 1.00 0.00 O ATOM 690 CB LYS A 48 -10.510 0.796 -8.357 1.00 0.00 C ATOM 691 CG LYS A 48 -10.417 0.960 -9.866 1.00 0.00 C ATOM 692 CD LYS A 48 -10.706 -0.346 -10.587 1.00 0.00 C ATOM 693 CE LYS A 48 -9.965 -0.427 -11.912 1.00 0.00 C ATOM 694 NZ LYS A 48 -10.783 -1.085 -12.968 1.00 0.00 N ATOM 0 H LYS A 48 -9.763 2.549 -6.211 1.00 0.00 H new ATOM 0 HA LYS A 48 -11.759 2.544 -8.379 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -9.507 0.660 -7.952 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -11.071 -0.111 -8.132 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -11.124 1.722 -10.194 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -9.421 1.312 -10.134 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -10.415 -1.184 -9.954 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -11.778 -0.436 -10.762 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -9.693 0.577 -12.237 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -9.036 -0.981 -11.775 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -10.241 -1.120 -13.855 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -11.022 -2.052 -12.670 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -11.658 -0.543 -13.118 1.00 0.00 H new ATOM 708 N ASN A 49 -11.541 1.024 -5.454 1.00 0.00 N ATOM 709 CA ASN A 49 -12.328 0.515 -4.337 1.00 0.00 C ATOM 710 C ASN A 49 -12.353 1.517 -3.188 1.00 0.00 C ATOM 711 O ASN A 49 -11.401 2.271 -2.989 1.00 0.00 O ATOM 712 CB ASN A 49 -11.759 -0.820 -3.852 1.00 0.00 C ATOM 713 CG ASN A 49 -11.731 -1.869 -4.948 1.00 0.00 C ATOM 714 OD1 ASN A 49 -12.751 -2.154 -5.576 1.00 0.00 O ATOM 715 ND2 ASN A 49 -10.560 -2.448 -5.183 1.00 0.00 N ATOM 0 H ASN A 49 -10.532 0.999 -5.305 1.00 0.00 H new ATOM 0 HA ASN A 49 -13.350 0.362 -4.685 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -10.748 -0.665 -3.475 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -12.358 -1.186 -3.018 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -10.480 -3.160 -5.909 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -9.740 -2.181 -4.638 1.00 0.00 H new ATOM 722 N ASP A 50 -13.448 1.519 -2.435 1.00 0.00 N ATOM 723 CA ASP A 50 -13.597 2.429 -1.305 1.00 0.00 C ATOM 724 C ASP A 50 -13.337 1.706 0.012 1.00 0.00 C ATOM 725 O ASP A 50 -14.011 1.955 1.013 1.00 0.00 O ATOM 726 CB ASP A 50 -14.999 3.041 -1.299 1.00 0.00 C ATOM 727 CG ASP A 50 -16.089 1.987 -1.300 1.00 0.00 C ATOM 728 OD1 ASP A 50 -16.194 1.241 -0.303 1.00 0.00 O ATOM 729 OD2 ASP A 50 -16.839 1.909 -2.296 1.00 0.00 O ATOM 0 H ASP A 50 -14.245 0.901 -2.587 1.00 0.00 H new ATOM 0 HA ASP A 50 -12.862 3.226 -1.411 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -15.112 3.676 -0.420 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -15.116 3.682 -2.173 1.00 0.00 H new ATOM 734 N GLY A 51 -12.358 0.808 0.005 1.00 0.00 N ATOM 735 CA GLY A 51 -12.026 0.062 1.205 1.00 0.00 C ATOM 736 C GLY A 51 -12.521 -1.369 1.152 1.00 0.00 C ATOM 737 O GLY A 51 -11.755 -2.307 1.376 1.00 0.00 O ATOM 0 H GLY A 51 -11.788 0.583 -0.810 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -10.945 0.065 1.343 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -12.459 0.561 2.071 1.00 0.00 H new ATOM 741 N SER A 52 -13.805 -1.539 0.855 1.00 0.00 N ATOM 742 CA SER A 52 -14.402 -2.866 0.774 1.00 0.00 C ATOM 743 C SER A 52 -14.456 -3.350 -0.672 1.00 0.00 C ATOM 744 O SER A 52 -14.998 -2.671 -1.545 1.00 0.00 O ATOM 745 CB SER A 52 -15.810 -2.854 1.372 1.00 0.00 C ATOM 746 OG SER A 52 -16.305 -4.171 1.540 1.00 0.00 O ATOM 0 H SER A 52 -14.452 -0.773 0.666 1.00 0.00 H new ATOM 0 HA SER A 52 -13.778 -3.553 1.346 1.00 0.00 H new ATOM 0 HB2 SER A 52 -15.795 -2.342 2.334 1.00 0.00 H new ATOM 0 HB3 SER A 52 -16.480 -2.291 0.722 1.00 0.00 H new ATOM 0 HG SER A 52 -17.205 -4.135 1.925 1.00 0.00 H new ATOM 752 N VAL A 53 -13.889 -4.527 -0.918 1.00 0.00 N ATOM 753 CA VAL A 53 -13.872 -5.102 -2.258 1.00 0.00 C ATOM 754 C VAL A 53 -14.773 -6.328 -2.342 1.00 0.00 C ATOM 755 O VAL A 53 -14.516 -7.345 -1.697 1.00 0.00 O ATOM 756 CB VAL A 53 -12.445 -5.498 -2.682 1.00 0.00 C ATOM 757 CG1 VAL A 53 -12.413 -5.894 -4.150 1.00 0.00 C ATOM 758 CG2 VAL A 53 -11.471 -4.361 -2.407 1.00 0.00 C ATOM 0 H VAL A 53 -13.435 -5.101 -0.207 1.00 0.00 H new ATOM 0 HA VAL A 53 -14.244 -4.334 -2.936 1.00 0.00 H new ATOM 0 HB VAL A 53 -12.137 -6.361 -2.091 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -11.397 -6.170 -4.430 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -13.078 -6.743 -4.313 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -12.742 -5.053 -4.761 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -10.468 -4.659 -2.713 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -11.774 -3.478 -2.969 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -11.472 -4.131 -1.342 1.00 0.00 H new ATOM 768 N ALA A 54 -15.831 -6.225 -3.140 1.00 0.00 N ATOM 769 CA ALA A 54 -16.771 -7.327 -3.308 1.00 0.00 C ATOM 770 C ALA A 54 -17.417 -7.704 -1.980 1.00 0.00 C ATOM 771 O ALA A 54 -17.769 -8.863 -1.758 1.00 0.00 O ATOM 772 CB ALA A 54 -16.069 -8.530 -3.918 1.00 0.00 C ATOM 0 H ALA A 54 -16.059 -5.390 -3.680 1.00 0.00 H new ATOM 0 HA ALA A 54 -17.560 -7.000 -3.985 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -16.782 -9.345 -4.038 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -15.661 -8.258 -4.892 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -15.259 -8.850 -3.262 1.00 0.00 H new ATOM 778 N GLY A 55 -17.571 -6.720 -1.101 1.00 0.00 N ATOM 779 CA GLY A 55 -18.174 -6.970 0.194 1.00 0.00 C ATOM 780 C GLY A 55 -17.142 -7.192 1.283 1.00 0.00 C ATOM 781 O GLY A 55 -17.391 -6.902 2.453 1.00 0.00 O ATOM 0 H GLY A 55 -17.289 -5.753 -1.263 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -18.807 -6.125 0.465 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -18.821 -7.845 0.127 1.00 0.00 H new ATOM 785 N VAL A 56 -15.980 -7.710 0.897 1.00 0.00 N ATOM 786 CA VAL A 56 -14.906 -7.973 1.847 1.00 0.00 C ATOM 787 C VAL A 56 -14.184 -6.685 2.230 1.00 0.00 C ATOM 788 O VAL A 56 -13.509 -6.071 1.403 1.00 0.00 O ATOM 789 CB VAL A 56 -13.883 -8.972 1.277 1.00 0.00 C ATOM 790 CG1 VAL A 56 -12.884 -9.385 2.348 1.00 0.00 C ATOM 791 CG2 VAL A 56 -14.589 -10.188 0.698 1.00 0.00 C ATOM 0 H VAL A 56 -15.759 -7.956 -0.068 1.00 0.00 H new ATOM 0 HA VAL A 56 -15.368 -8.406 2.734 1.00 0.00 H new ATOM 0 HB VAL A 56 -13.335 -8.482 0.472 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -12.169 -10.091 1.926 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -12.353 -8.504 2.710 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -13.413 -9.856 3.177 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -13.849 -10.883 0.300 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -15.166 -10.681 1.481 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -15.259 -9.873 -0.102 1.00 0.00 H new ATOM 801 N ARG A 57 -14.331 -6.282 3.487 1.00 0.00 N ATOM 802 CA ARG A 57 -13.691 -5.067 3.979 1.00 0.00 C ATOM 803 C ARG A 57 -12.264 -5.350 4.436 1.00 0.00 C ATOM 804 O ARG A 57 -12.014 -6.311 5.163 1.00 0.00 O ATOM 805 CB ARG A 57 -14.500 -4.471 5.133 1.00 0.00 C ATOM 806 CG ARG A 57 -13.938 -3.160 5.657 1.00 0.00 C ATOM 807 CD ARG A 57 -14.621 -2.736 6.948 1.00 0.00 C ATOM 808 NE ARG A 57 -13.930 -3.251 8.127 1.00 0.00 N ATOM 809 CZ ARG A 57 -14.469 -3.288 9.344 1.00 0.00 C ATOM 810 NH1 ARG A 57 -15.703 -2.843 9.545 1.00 0.00 N ATOM 811 NH2 ARG A 57 -13.772 -3.773 10.364 1.00 0.00 N ATOM 0 H ARG A 57 -14.887 -6.778 4.184 1.00 0.00 H new ATOM 0 HA ARG A 57 -13.655 -4.348 3.160 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -15.526 -4.310 4.801 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -14.538 -5.192 5.949 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -12.867 -3.265 5.829 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -14.065 -2.382 4.904 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -14.660 -1.648 6.997 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -15.651 -3.092 6.947 1.00 0.00 H new ATOM 0 HE ARG A 57 -12.980 -3.603 8.012 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -16.244 -2.470 8.765 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -16.110 -2.874 10.480 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -12.823 -4.117 10.216 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -14.185 -3.801 11.296 1.00 0.00 H new ATOM 825 N TYR A 58 -11.332 -4.507 4.004 1.00 0.00 N ATOM 826 CA TYR A 58 -9.928 -4.666 4.369 1.00 0.00 C ATOM 827 C TYR A 58 -9.447 -3.487 5.209 1.00 0.00 C ATOM 828 O TYR A 58 -8.919 -3.668 6.306 1.00 0.00 O ATOM 829 CB TYR A 58 -9.065 -4.798 3.113 1.00 0.00 C ATOM 830 CG TYR A 58 -9.441 -5.976 2.241 1.00 0.00 C ATOM 831 CD1 TYR A 58 -10.471 -5.876 1.313 1.00 0.00 C ATOM 832 CD2 TYR A 58 -8.767 -7.185 2.346 1.00 0.00 C ATOM 833 CE1 TYR A 58 -10.818 -6.949 0.515 1.00 0.00 C ATOM 834 CE2 TYR A 58 -9.109 -8.263 1.551 1.00 0.00 C ATOM 835 CZ TYR A 58 -10.134 -8.141 0.638 1.00 0.00 C ATOM 836 OH TYR A 58 -10.477 -9.212 -0.155 1.00 0.00 O ATOM 0 H TYR A 58 -11.523 -3.707 3.401 1.00 0.00 H new ATOM 0 HA TYR A 58 -9.834 -5.575 4.964 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -9.148 -3.882 2.528 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -8.020 -4.894 3.409 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -11.009 -4.945 1.214 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -7.963 -7.285 3.060 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -11.621 -6.855 -0.202 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -8.575 -9.197 1.645 1.00 0.00 H new ATOM 0 HH TYR A 58 -11.041 -8.904 -0.895 1.00 0.00 H new ATOM 846 N PHE A 59 -9.632 -2.280 4.686 1.00 0.00 N ATOM 847 CA PHE A 59 -9.217 -1.071 5.387 1.00 0.00 C ATOM 848 C PHE A 59 -10.249 0.040 5.214 1.00 0.00 C ATOM 849 O PHE A 59 -10.813 0.215 4.134 1.00 0.00 O ATOM 850 CB PHE A 59 -7.854 -0.601 4.874 1.00 0.00 C ATOM 851 CG PHE A 59 -7.848 -0.265 3.410 1.00 0.00 C ATOM 852 CD1 PHE A 59 -7.685 -1.260 2.459 1.00 0.00 C ATOM 853 CD2 PHE A 59 -8.003 1.044 2.985 1.00 0.00 C ATOM 854 CE1 PHE A 59 -7.678 -0.954 1.111 1.00 0.00 C ATOM 855 CE2 PHE A 59 -7.998 1.356 1.639 1.00 0.00 C ATOM 856 CZ PHE A 59 -7.835 0.355 0.700 1.00 0.00 C ATOM 0 H PHE A 59 -10.067 -2.113 3.779 1.00 0.00 H new ATOM 0 HA PHE A 59 -9.137 -1.306 6.448 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -7.544 0.277 5.441 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -7.115 -1.380 5.063 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -7.562 -2.286 2.775 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -8.129 1.830 3.714 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -7.550 -1.738 0.380 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -8.121 2.381 1.321 1.00 0.00 H new ATOM 0 HZ PHE A 59 -7.830 0.596 -0.353 1.00 0.00 H new ATOM 866 N GLN A 60 -10.490 0.788 6.286 1.00 0.00 N ATOM 867 CA GLN A 60 -11.454 1.882 6.253 1.00 0.00 C ATOM 868 C GLN A 60 -10.857 3.113 5.579 1.00 0.00 C ATOM 869 O GLN A 60 -9.793 3.594 5.972 1.00 0.00 O ATOM 870 CB GLN A 60 -11.907 2.232 7.671 1.00 0.00 C ATOM 871 CG GLN A 60 -13.288 2.866 7.730 1.00 0.00 C ATOM 872 CD GLN A 60 -13.378 3.975 8.760 1.00 0.00 C ATOM 873 OE1 GLN A 60 -14.217 3.937 9.659 1.00 0.00 O ATOM 874 NE2 GLN A 60 -12.510 4.972 8.632 1.00 0.00 N ATOM 0 H GLN A 60 -10.031 0.657 7.188 1.00 0.00 H new ATOM 0 HA GLN A 60 -12.317 1.556 5.673 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -11.906 1.326 8.278 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -11.184 2.915 8.116 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -13.542 3.266 6.748 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -14.026 2.099 7.963 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -11.831 4.963 7.871 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -12.522 5.747 9.295 1.00 0.00 H new ATOM 883 N CYS A 61 -11.547 3.619 4.563 1.00 0.00 N ATOM 884 CA CYS A 61 -11.085 4.795 3.835 1.00 0.00 C ATOM 885 C CYS A 61 -12.248 5.499 3.144 1.00 0.00 C ATOM 886 O CYS A 61 -13.396 5.068 3.244 1.00 0.00 O ATOM 887 CB CYS A 61 -10.027 4.398 2.803 1.00 0.00 C ATOM 888 SG CYS A 61 -10.639 3.297 1.506 1.00 0.00 S ATOM 0 H CYS A 61 -12.429 3.233 4.225 1.00 0.00 H new ATOM 0 HA CYS A 61 -10.642 5.485 4.553 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -9.629 5.301 2.340 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -9.198 3.911 3.317 1.00 0.00 H new ATOM 0 HG CYS A 61 -9.863 2.258 1.417 1.00 0.00 H new ATOM 894 N GLU A 62 -11.942 6.586 2.443 1.00 0.00 N ATOM 895 CA GLU A 62 -12.962 7.351 1.735 1.00 0.00 C ATOM 896 C GLU A 62 -13.264 6.729 0.374 1.00 0.00 C ATOM 897 O GLU A 62 -12.508 5.890 -0.116 1.00 0.00 O ATOM 898 CB GLU A 62 -12.511 8.801 1.558 1.00 0.00 C ATOM 899 CG GLU A 62 -12.814 9.682 2.760 1.00 0.00 C ATOM 900 CD GLU A 62 -11.559 10.194 3.441 1.00 0.00 C ATOM 901 OE1 GLU A 62 -10.551 9.458 3.458 1.00 0.00 O ATOM 902 OE2 GLU A 62 -11.586 11.331 3.958 1.00 0.00 O ATOM 0 H GLU A 62 -10.996 6.957 2.350 1.00 0.00 H new ATOM 0 HA GLU A 62 -13.874 7.332 2.332 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -11.438 8.819 1.366 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -12.999 9.220 0.678 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -13.421 10.529 2.441 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -13.408 9.117 3.479 1.00 0.00 H new ATOM 909 N PRO A 63 -14.380 7.133 -0.257 1.00 0.00 N ATOM 910 CA PRO A 63 -14.781 6.610 -1.567 1.00 0.00 C ATOM 911 C PRO A 63 -13.698 6.791 -2.624 1.00 0.00 C ATOM 912 O PRO A 63 -13.112 7.866 -2.751 1.00 0.00 O ATOM 913 CB PRO A 63 -16.013 7.443 -1.927 1.00 0.00 C ATOM 914 CG PRO A 63 -16.542 7.926 -0.621 1.00 0.00 C ATOM 915 CD PRO A 63 -15.341 8.126 0.258 1.00 0.00 C ATOM 0 HA PRO A 63 -14.969 5.537 -1.530 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -15.750 8.276 -2.579 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -16.754 6.844 -2.457 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -17.096 8.857 -0.744 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -17.229 7.201 -0.185 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -14.951 9.141 0.183 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -15.577 7.952 1.308 1.00 0.00 H new ATOM 923 N LEU A 64 -13.445 5.734 -3.389 1.00 0.00 N ATOM 924 CA LEU A 64 -12.442 5.774 -4.445 1.00 0.00 C ATOM 925 C LEU A 64 -11.080 6.204 -3.905 1.00 0.00 C ATOM 926 O LEU A 64 -10.262 6.764 -4.636 1.00 0.00 O ATOM 927 CB LEU A 64 -12.888 6.728 -5.552 1.00 0.00 C ATOM 928 CG LEU A 64 -14.221 6.374 -6.215 1.00 0.00 C ATOM 929 CD1 LEU A 64 -15.031 7.631 -6.494 1.00 0.00 C ATOM 930 CD2 LEU A 64 -13.986 5.593 -7.500 1.00 0.00 C ATOM 0 H LEU A 64 -13.923 4.837 -3.296 1.00 0.00 H new ATOM 0 HA LEU A 64 -12.341 4.767 -4.851 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -12.962 7.733 -5.136 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -12.114 6.757 -6.319 1.00 0.00 H new ATOM 0 HG LEU A 64 -14.790 5.746 -5.529 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -15.975 7.358 -6.965 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -15.230 8.151 -5.557 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -14.469 8.286 -7.160 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -14.945 5.350 -7.958 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -13.397 6.197 -8.190 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -13.448 4.673 -7.273 1.00 0.00 H new ATOM 942 N LYS A 65 -10.838 5.937 -2.625 1.00 0.00 N ATOM 943 CA LYS A 65 -9.571 6.296 -1.998 1.00 0.00 C ATOM 944 C LYS A 65 -8.822 5.051 -1.535 1.00 0.00 C ATOM 945 O LYS A 65 -8.202 5.045 -0.472 1.00 0.00 O ATOM 946 CB LYS A 65 -9.809 7.233 -0.811 1.00 0.00 C ATOM 947 CG LYS A 65 -10.427 8.566 -1.201 1.00 0.00 C ATOM 948 CD LYS A 65 -9.729 9.728 -0.510 1.00 0.00 C ATOM 949 CE LYS A 65 -10.353 11.060 -0.894 1.00 0.00 C ATOM 950 NZ LYS A 65 -11.469 11.433 0.017 1.00 0.00 N ATOM 0 H LYS A 65 -11.501 5.474 -2.003 1.00 0.00 H new ATOM 0 HA LYS A 65 -8.961 6.811 -2.740 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -10.461 6.736 -0.092 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -8.860 7.416 -0.307 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -10.366 8.694 -2.282 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -11.485 8.568 -0.939 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -9.785 9.597 0.571 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -8.672 9.730 -0.777 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -9.590 11.838 -0.871 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -10.723 11.006 -1.918 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -11.576 12.467 0.030 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -12.352 10.998 -0.319 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -11.260 11.095 0.978 1.00 0.00 H new ATOM 964 N GLY A 66 -8.884 3.997 -2.343 1.00 0.00 N ATOM 965 CA GLY A 66 -8.207 2.760 -2.001 1.00 0.00 C ATOM 966 C GLY A 66 -8.162 1.784 -3.161 1.00 0.00 C ATOM 967 O GLY A 66 -9.165 1.571 -3.840 1.00 0.00 O ATOM 0 H GLY A 66 -9.391 3.978 -3.228 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -7.190 2.983 -1.678 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -8.714 2.293 -1.157 1.00 0.00 H new ATOM 971 N ILE A 67 -6.994 1.190 -3.386 1.00 0.00 N ATOM 972 CA ILE A 67 -6.821 0.232 -4.471 1.00 0.00 C ATOM 973 C ILE A 67 -5.787 -0.827 -4.106 1.00 0.00 C ATOM 974 O ILE A 67 -4.885 -0.580 -3.305 1.00 0.00 O ATOM 975 CB ILE A 67 -6.393 0.934 -5.775 1.00 0.00 C ATOM 976 CG1 ILE A 67 -6.304 -0.073 -6.925 1.00 0.00 C ATOM 977 CG2 ILE A 67 -5.062 1.648 -5.584 1.00 0.00 C ATOM 978 CD1 ILE A 67 -7.614 -0.769 -7.222 1.00 0.00 C ATOM 0 H ILE A 67 -6.154 1.356 -2.831 1.00 0.00 H new ATOM 0 HA ILE A 67 -7.786 -0.250 -4.630 1.00 0.00 H new ATOM 0 HB ILE A 67 -7.149 1.677 -6.029 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -5.964 0.443 -7.823 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -5.550 -0.822 -6.683 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -4.775 2.138 -6.514 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -5.159 2.395 -4.796 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -4.297 0.923 -5.305 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -7.476 -1.467 -8.047 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -7.946 -1.313 -6.338 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -8.366 -0.028 -7.495 1.00 0.00 H new ATOM 990 N PHE A 68 -5.924 -2.008 -4.700 1.00 0.00 N ATOM 991 CA PHE A 68 -5.002 -3.107 -4.438 1.00 0.00 C ATOM 992 C PHE A 68 -4.105 -3.361 -5.645 1.00 0.00 C ATOM 993 O PHE A 68 -4.584 -3.687 -6.730 1.00 0.00 O ATOM 994 CB PHE A 68 -5.777 -4.377 -4.087 1.00 0.00 C ATOM 995 CG PHE A 68 -6.518 -4.285 -2.784 1.00 0.00 C ATOM 996 CD1 PHE A 68 -7.680 -3.537 -2.684 1.00 0.00 C ATOM 997 CD2 PHE A 68 -6.053 -4.947 -1.659 1.00 0.00 C ATOM 998 CE1 PHE A 68 -8.364 -3.450 -1.485 1.00 0.00 C ATOM 999 CE2 PHE A 68 -6.731 -4.863 -0.458 1.00 0.00 C ATOM 1000 CZ PHE A 68 -7.889 -4.114 -0.372 1.00 0.00 C ATOM 0 H PHE A 68 -6.665 -2.228 -5.366 1.00 0.00 H new ATOM 0 HA PHE A 68 -4.373 -2.829 -3.592 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -6.487 -4.592 -4.885 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -5.083 -5.216 -4.043 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -8.056 -3.016 -3.552 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -5.150 -5.536 -1.722 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -9.268 -2.863 -1.420 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -6.357 -5.382 0.412 1.00 0.00 H new ATOM 0 HZ PHE A 68 -8.422 -4.048 0.565 1.00 0.00 H new ATOM 1010 N THR A 69 -2.799 -3.208 -5.446 1.00 0.00 N ATOM 1011 CA THR A 69 -1.833 -3.421 -6.517 1.00 0.00 C ATOM 1012 C THR A 69 -0.626 -4.204 -6.014 1.00 0.00 C ATOM 1013 O THR A 69 -0.342 -4.226 -4.817 1.00 0.00 O ATOM 1014 CB THR A 69 -1.379 -2.080 -7.095 1.00 0.00 C ATOM 1015 OG1 THR A 69 -0.452 -2.276 -8.148 1.00 0.00 O ATOM 1016 CG2 THR A 69 -0.726 -1.178 -6.070 1.00 0.00 C ATOM 0 H THR A 69 -2.386 -2.937 -4.553 1.00 0.00 H new ATOM 0 HA THR A 69 -2.319 -4.002 -7.301 1.00 0.00 H new ATOM 0 HB THR A 69 -2.288 -1.597 -7.454 1.00 0.00 H new ATOM 0 HG1 THR A 69 -0.175 -1.407 -8.506 1.00 0.00 H new ATOM 0 HG21 THR A 69 -0.427 -0.244 -6.545 1.00 0.00 H new ATOM 0 HG22 THR A 69 -1.433 -0.967 -5.268 1.00 0.00 H new ATOM 0 HG23 THR A 69 0.154 -1.673 -5.658 1.00 0.00 H new ATOM 1024 N ARG A 70 0.082 -4.847 -6.937 1.00 0.00 N ATOM 1025 CA ARG A 70 1.260 -5.631 -6.587 1.00 0.00 C ATOM 1026 C ARG A 70 2.375 -4.728 -6.060 1.00 0.00 C ATOM 1027 O ARG A 70 2.749 -3.753 -6.710 1.00 0.00 O ATOM 1028 CB ARG A 70 1.755 -6.414 -7.804 1.00 0.00 C ATOM 1029 CG ARG A 70 1.155 -7.808 -7.916 1.00 0.00 C ATOM 1030 CD ARG A 70 2.225 -8.887 -7.845 1.00 0.00 C ATOM 1031 NE ARG A 70 3.103 -8.712 -6.691 1.00 0.00 N ATOM 1032 CZ ARG A 70 3.865 -9.678 -6.185 1.00 0.00 C ATOM 1033 NH1 ARG A 70 3.864 -10.888 -6.731 1.00 0.00 N ATOM 1034 NH2 ARG A 70 4.632 -9.434 -5.131 1.00 0.00 N ATOM 0 H ARG A 70 -0.140 -4.840 -7.933 1.00 0.00 H new ATOM 0 HA ARG A 70 0.981 -6.333 -5.801 1.00 0.00 H new ATOM 0 HB2 ARG A 70 1.519 -5.852 -8.708 1.00 0.00 H new ATOM 0 HB3 ARG A 70 2.841 -6.498 -7.755 1.00 0.00 H new ATOM 0 HG2 ARG A 70 0.432 -7.959 -7.114 1.00 0.00 H new ATOM 0 HG3 ARG A 70 0.611 -7.896 -8.856 1.00 0.00 H new ATOM 0 HD2 ARG A 70 1.749 -9.866 -7.793 1.00 0.00 H new ATOM 0 HD3 ARG A 70 2.819 -8.869 -8.759 1.00 0.00 H new ATOM 0 HE ARG A 70 3.134 -7.794 -6.247 1.00 0.00 H new ATOM 0 HH11 ARG A 70 3.277 -11.081 -7.543 1.00 0.00 H new ATOM 0 HH12 ARG A 70 4.450 -11.625 -6.339 1.00 0.00 H new ATOM 0 HH21 ARG A 70 4.638 -8.506 -4.708 1.00 0.00 H new ATOM 0 HH22 ARG A 70 5.216 -10.175 -4.743 1.00 0.00 H new ATOM 1048 N PRO A 71 2.927 -5.039 -4.871 1.00 0.00 N ATOM 1049 CA PRO A 71 4.002 -4.242 -4.272 1.00 0.00 C ATOM 1050 C PRO A 71 5.197 -4.091 -5.207 1.00 0.00 C ATOM 1051 O PRO A 71 5.855 -3.052 -5.227 1.00 0.00 O ATOM 1052 CB PRO A 71 4.400 -5.043 -3.029 1.00 0.00 C ATOM 1053 CG PRO A 71 3.206 -5.872 -2.706 1.00 0.00 C ATOM 1054 CD PRO A 71 2.549 -6.183 -4.022 1.00 0.00 C ATOM 0 HA PRO A 71 3.676 -3.226 -4.051 1.00 0.00 H new ATOM 0 HB2 PRO A 71 5.272 -5.667 -3.224 1.00 0.00 H new ATOM 0 HB3 PRO A 71 4.658 -4.383 -2.201 1.00 0.00 H new ATOM 0 HG2 PRO A 71 3.495 -6.787 -2.188 1.00 0.00 H new ATOM 0 HG3 PRO A 71 2.524 -5.334 -2.047 1.00 0.00 H new ATOM 0 HD2 PRO A 71 2.906 -7.126 -4.436 1.00 0.00 H new ATOM 0 HD3 PRO A 71 1.467 -6.268 -3.921 1.00 0.00 H new ATOM 1062 N SER A 72 5.470 -5.136 -5.981 1.00 0.00 N ATOM 1063 CA SER A 72 6.586 -5.122 -6.920 1.00 0.00 C ATOM 1064 C SER A 72 6.456 -3.966 -7.907 1.00 0.00 C ATOM 1065 O SER A 72 7.455 -3.453 -8.411 1.00 0.00 O ATOM 1066 CB SER A 72 6.659 -6.449 -7.677 1.00 0.00 C ATOM 1067 OG SER A 72 8.004 -6.846 -7.885 1.00 0.00 O ATOM 0 H SER A 72 4.934 -6.004 -5.977 1.00 0.00 H new ATOM 0 HA SER A 72 7.505 -4.985 -6.350 1.00 0.00 H new ATOM 0 HB2 SER A 72 6.132 -7.221 -7.116 1.00 0.00 H new ATOM 0 HB3 SER A 72 6.153 -6.351 -8.637 1.00 0.00 H new ATOM 0 HG SER A 72 8.022 -7.698 -8.369 1.00 0.00 H new ATOM 1073 N LYS A 73 5.219 -3.561 -8.178 1.00 0.00 N ATOM 1074 CA LYS A 73 4.960 -2.464 -9.105 1.00 0.00 C ATOM 1075 C LYS A 73 4.736 -1.157 -8.351 1.00 0.00 C ATOM 1076 O LYS A 73 3.942 -0.316 -8.772 1.00 0.00 O ATOM 1077 CB LYS A 73 3.741 -2.781 -9.973 1.00 0.00 C ATOM 1078 CG LYS A 73 3.828 -4.127 -10.676 1.00 0.00 C ATOM 1079 CD LYS A 73 4.103 -3.965 -12.164 1.00 0.00 C ATOM 1080 CE LYS A 73 5.127 -4.975 -12.655 1.00 0.00 C ATOM 1081 NZ LYS A 73 6.497 -4.663 -12.159 1.00 0.00 N ATOM 0 H LYS A 73 4.381 -3.975 -7.770 1.00 0.00 H new ATOM 0 HA LYS A 73 5.834 -2.348 -9.746 1.00 0.00 H new ATOM 0 HB2 LYS A 73 2.847 -2.763 -9.350 1.00 0.00 H new ATOM 0 HB3 LYS A 73 3.624 -1.997 -10.721 1.00 0.00 H new ATOM 0 HG2 LYS A 73 4.619 -4.725 -10.222 1.00 0.00 H new ATOM 0 HG3 LYS A 73 2.895 -4.673 -10.535 1.00 0.00 H new ATOM 0 HD2 LYS A 73 3.174 -4.086 -12.722 1.00 0.00 H new ATOM 0 HD3 LYS A 73 4.463 -2.955 -12.361 1.00 0.00 H new ATOM 0 HE2 LYS A 73 4.840 -5.973 -12.324 1.00 0.00 H new ATOM 0 HE3 LYS A 73 5.130 -4.989 -13.745 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 7.196 -5.206 -12.706 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 6.684 -3.646 -12.271 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 6.569 -4.919 -11.154 1.00 0.00 H new ATOM 1095 N LEU A 74 5.440 -0.994 -7.236 1.00 0.00 N ATOM 1096 CA LEU A 74 5.319 0.212 -6.424 1.00 0.00 C ATOM 1097 C LEU A 74 6.684 0.851 -6.192 1.00 0.00 C ATOM 1098 O LEU A 74 7.717 0.272 -6.528 1.00 0.00 O ATOM 1099 CB LEU A 74 4.662 -0.117 -5.082 1.00 0.00 C ATOM 1100 CG LEU A 74 3.169 -0.442 -5.154 1.00 0.00 C ATOM 1101 CD1 LEU A 74 2.620 -0.737 -3.767 1.00 0.00 C ATOM 1102 CD2 LEU A 74 2.405 0.704 -5.799 1.00 0.00 C ATOM 0 H LEU A 74 6.100 -1.682 -6.874 1.00 0.00 H new ATOM 0 HA LEU A 74 4.693 0.923 -6.963 1.00 0.00 H new ATOM 0 HB2 LEU A 74 5.182 -0.966 -4.639 1.00 0.00 H new ATOM 0 HB3 LEU A 74 4.802 0.729 -4.409 1.00 0.00 H new ATOM 0 HG LEU A 74 3.039 -1.331 -5.771 1.00 0.00 H new ATOM 0 HD11 LEU A 74 1.557 -0.966 -3.838 1.00 0.00 H new ATOM 0 HD12 LEU A 74 3.147 -1.590 -3.341 1.00 0.00 H new ATOM 0 HD13 LEU A 74 2.762 0.134 -3.127 1.00 0.00 H new ATOM 0 HD21 LEU A 74 1.345 0.456 -5.842 1.00 0.00 H new ATOM 0 HD22 LEU A 74 2.542 1.610 -5.209 1.00 0.00 H new ATOM 0 HD23 LEU A 74 2.780 0.869 -6.809 1.00 0.00 H new ATOM 1114 N THR A 75 6.681 2.049 -5.616 1.00 0.00 N ATOM 1115 CA THR A 75 7.919 2.767 -5.339 1.00 0.00 C ATOM 1116 C THR A 75 7.820 3.537 -4.026 1.00 0.00 C ATOM 1117 O THR A 75 6.730 3.720 -3.483 1.00 0.00 O ATOM 1118 CB THR A 75 8.243 3.727 -6.484 1.00 0.00 C ATOM 1119 OG1 THR A 75 7.062 4.326 -6.986 1.00 0.00 O ATOM 1120 CG2 THR A 75 8.948 3.058 -7.644 1.00 0.00 C ATOM 0 H THR A 75 5.835 2.543 -5.332 1.00 0.00 H new ATOM 0 HA THR A 75 8.722 2.035 -5.250 1.00 0.00 H new ATOM 0 HB THR A 75 8.912 4.473 -6.055 1.00 0.00 H new ATOM 0 HG1 THR A 75 6.391 4.375 -6.273 1.00 0.00 H new ATOM 0 HG21 THR A 75 9.149 3.795 -8.422 1.00 0.00 H new ATOM 0 HG22 THR A 75 9.889 2.629 -7.299 1.00 0.00 H new ATOM 0 HG23 THR A 75 8.315 2.268 -8.048 1.00 0.00 H new ATOM 1128 N ARG A 76 8.964 3.986 -3.521 1.00 0.00 N ATOM 1129 CA ARG A 76 9.006 4.737 -2.270 1.00 0.00 C ATOM 1130 C ARG A 76 9.490 6.163 -2.509 1.00 0.00 C ATOM 1131 O ARG A 76 10.682 6.401 -2.704 1.00 0.00 O ATOM 1132 CB ARG A 76 9.918 4.037 -1.261 1.00 0.00 C ATOM 1133 CG ARG A 76 9.358 4.015 0.152 1.00 0.00 C ATOM 1134 CD ARG A 76 10.448 4.233 1.188 1.00 0.00 C ATOM 1135 NE ARG A 76 11.627 3.409 0.927 1.00 0.00 N ATOM 1136 CZ ARG A 76 12.822 3.634 1.467 1.00 0.00 C ATOM 1137 NH1 ARG A 76 13.002 4.653 2.298 1.00 0.00 N ATOM 1138 NH2 ARG A 76 13.841 2.836 1.176 1.00 0.00 N ATOM 0 H ARG A 76 9.875 3.843 -3.958 1.00 0.00 H new ATOM 0 HA ARG A 76 7.995 4.779 -1.865 1.00 0.00 H new ATOM 0 HB2 ARG A 76 10.091 3.012 -1.590 1.00 0.00 H new ATOM 0 HB3 ARG A 76 10.887 4.537 -1.251 1.00 0.00 H new ATOM 0 HG2 ARG A 76 8.597 4.789 0.255 1.00 0.00 H new ATOM 0 HG3 ARG A 76 8.867 3.059 0.335 1.00 0.00 H new ATOM 0 HD2 ARG A 76 10.735 5.284 1.195 1.00 0.00 H new ATOM 0 HD3 ARG A 76 10.057 4.002 2.179 1.00 0.00 H new ATOM 0 HE ARG A 76 11.528 2.615 0.294 1.00 0.00 H new ATOM 0 HH11 ARG A 76 12.222 5.269 2.526 1.00 0.00 H new ATOM 0 HH12 ARG A 76 13.921 4.820 2.709 1.00 0.00 H new ATOM 0 HH21 ARG A 76 13.708 2.051 0.539 1.00 0.00 H new ATOM 0 HH22 ARG A 76 14.757 3.008 1.589 1.00 0.00 H new ATOM 1152 N LYS A 77 8.557 7.111 -2.491 1.00 0.00 N ATOM 1153 CA LYS A 77 8.890 8.514 -2.705 1.00 0.00 C ATOM 1154 C LYS A 77 9.518 8.721 -4.079 1.00 0.00 C ATOM 1155 O LYS A 77 10.044 7.784 -4.680 1.00 0.00 O ATOM 1156 CB LYS A 77 9.845 9.004 -1.615 1.00 0.00 C ATOM 1157 CG LYS A 77 9.616 10.453 -1.212 1.00 0.00 C ATOM 1158 CD LYS A 77 8.585 10.566 -0.102 1.00 0.00 C ATOM 1159 CE LYS A 77 8.585 11.952 0.524 1.00 0.00 C ATOM 1160 NZ LYS A 77 7.209 12.506 0.646 1.00 0.00 N ATOM 0 H LYS A 77 7.566 6.932 -2.331 1.00 0.00 H new ATOM 0 HA LYS A 77 7.967 9.092 -2.657 1.00 0.00 H new ATOM 0 HB2 LYS A 77 9.736 8.369 -0.736 1.00 0.00 H new ATOM 0 HB3 LYS A 77 10.871 8.891 -1.965 1.00 0.00 H new ATOM 0 HG2 LYS A 77 10.557 10.893 -0.882 1.00 0.00 H new ATOM 0 HG3 LYS A 77 9.283 11.025 -2.079 1.00 0.00 H new ATOM 0 HD2 LYS A 77 7.595 10.346 -0.501 1.00 0.00 H new ATOM 0 HD3 LYS A 77 8.792 9.820 0.665 1.00 0.00 H new ATOM 0 HE2 LYS A 77 9.046 11.905 1.511 1.00 0.00 H new ATOM 0 HE3 LYS A 77 9.194 12.624 -0.081 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 7.256 13.544 0.697 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 6.647 12.225 -0.183 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 6.761 12.137 1.509 1.00 0.00 H new ATOM 1174 N VAL A 78 9.459 9.955 -4.571 1.00 0.00 N ATOM 1175 CA VAL A 78 10.021 10.285 -5.875 1.00 0.00 C ATOM 1176 C VAL A 78 11.537 10.439 -5.793 1.00 0.00 C ATOM 1177 O VAL A 78 12.062 11.553 -5.830 1.00 0.00 O ATOM 1178 CB VAL A 78 9.411 11.582 -6.440 1.00 0.00 C ATOM 1179 CG1 VAL A 78 9.892 11.827 -7.861 1.00 0.00 C ATOM 1180 CG2 VAL A 78 7.891 11.526 -6.387 1.00 0.00 C ATOM 0 H VAL A 78 9.028 10.742 -4.086 1.00 0.00 H new ATOM 0 HA VAL A 78 9.777 9.460 -6.544 1.00 0.00 H new ATOM 0 HB VAL A 78 9.743 12.415 -5.821 1.00 0.00 H new ATOM 0 HG11 VAL A 78 9.449 12.748 -8.241 1.00 0.00 H new ATOM 0 HG12 VAL A 78 10.978 11.917 -7.867 1.00 0.00 H new ATOM 0 HG13 VAL A 78 9.594 10.992 -8.495 1.00 0.00 H new ATOM 0 HG21 VAL A 78 7.479 12.451 -6.790 1.00 0.00 H new ATOM 0 HG22 VAL A 78 7.537 10.682 -6.979 1.00 0.00 H new ATOM 0 HG23 VAL A 78 7.567 11.405 -5.353 1.00 0.00 H new ATOM 1190 N SER A 79 12.236 9.314 -5.682 1.00 0.00 N ATOM 1191 CA SER A 79 13.692 9.324 -5.595 1.00 0.00 C ATOM 1192 C SER A 79 14.160 10.123 -4.383 1.00 0.00 C ATOM 1193 O SER A 79 14.291 11.345 -4.446 1.00 0.00 O ATOM 1194 CB SER A 79 14.296 9.911 -6.873 1.00 0.00 C ATOM 1195 OG SER A 79 13.570 9.497 -8.017 1.00 0.00 O ATOM 0 H SER A 79 11.818 8.384 -5.650 1.00 0.00 H new ATOM 0 HA SER A 79 14.031 8.294 -5.481 1.00 0.00 H new ATOM 0 HB2 SER A 79 14.296 10.999 -6.812 1.00 0.00 H new ATOM 0 HB3 SER A 79 15.336 9.597 -6.965 1.00 0.00 H new ATOM 0 HG SER A 79 13.975 9.887 -8.820 1.00 0.00 H new ATOM 1201 N GLY A 80 14.407 9.424 -3.279 1.00 0.00 N ATOM 1202 CA GLY A 80 14.857 10.084 -2.068 1.00 0.00 C ATOM 1203 C GLY A 80 16.296 9.750 -1.724 1.00 0.00 C ATOM 1204 O GLY A 80 16.560 8.739 -1.072 1.00 0.00 O ATOM 0 H GLY A 80 14.303 8.412 -3.202 1.00 0.00 H new ATOM 0 HA2 GLY A 80 14.757 11.163 -2.187 1.00 0.00 H new ATOM 0 HA3 GLY A 80 14.212 9.794 -1.239 1.00 0.00 H new ATOM 1208 N PRO A 81 17.260 10.584 -2.150 1.00 0.00 N ATOM 1209 CA PRO A 81 18.681 10.357 -1.874 1.00 0.00 C ATOM 1210 C PRO A 81 18.951 10.105 -0.394 1.00 0.00 C ATOM 1211 O PRO A 81 19.500 9.068 -0.021 1.00 0.00 O ATOM 1212 CB PRO A 81 19.344 11.661 -2.324 1.00 0.00 C ATOM 1213 CG PRO A 81 18.426 12.215 -3.356 1.00 0.00 C ATOM 1214 CD PRO A 81 17.038 11.815 -2.935 1.00 0.00 C ATOM 0 HA PRO A 81 19.059 9.472 -2.387 1.00 0.00 H new ATOM 0 HB2 PRO A 81 19.465 12.352 -1.490 1.00 0.00 H new ATOM 0 HB3 PRO A 81 20.337 11.479 -2.734 1.00 0.00 H new ATOM 0 HG2 PRO A 81 18.518 13.299 -3.418 1.00 0.00 H new ATOM 0 HG3 PRO A 81 18.664 11.818 -4.343 1.00 0.00 H new ATOM 0 HD2 PRO A 81 16.560 12.591 -2.338 1.00 0.00 H new ATOM 0 HD3 PRO A 81 16.394 11.632 -3.795 1.00 0.00 H new ATOM 1222 N SER A 82 18.562 11.060 0.444 1.00 0.00 N ATOM 1223 CA SER A 82 18.762 10.942 1.883 1.00 0.00 C ATOM 1224 C SER A 82 17.476 10.503 2.577 1.00 0.00 C ATOM 1225 O SER A 82 16.492 10.162 1.922 1.00 0.00 O ATOM 1226 CB SER A 82 19.239 12.274 2.465 1.00 0.00 C ATOM 1227 OG SER A 82 20.204 12.882 1.624 1.00 0.00 O ATOM 0 H SER A 82 18.106 11.924 0.151 1.00 0.00 H new ATOM 0 HA SER A 82 19.525 10.184 2.057 1.00 0.00 H new ATOM 0 HB2 SER A 82 18.389 12.944 2.592 1.00 0.00 H new ATOM 0 HB3 SER A 82 19.666 12.110 3.454 1.00 0.00 H new ATOM 0 HG SER A 82 20.491 13.732 2.017 1.00 0.00 H new ATOM 1233 N SER A 83 17.494 10.513 3.906 1.00 0.00 N ATOM 1234 CA SER A 83 16.328 10.116 4.689 1.00 0.00 C ATOM 1235 C SER A 83 15.859 11.258 5.583 1.00 0.00 C ATOM 1236 O SER A 83 16.578 12.237 5.786 1.00 0.00 O ATOM 1237 CB SER A 83 16.655 8.887 5.539 1.00 0.00 C ATOM 1238 OG SER A 83 17.586 9.205 6.559 1.00 0.00 O ATOM 0 H SER A 83 18.302 10.791 4.463 1.00 0.00 H new ATOM 0 HA SER A 83 15.523 9.867 3.997 1.00 0.00 H new ATOM 0 HB2 SER A 83 15.741 8.496 5.986 1.00 0.00 H new ATOM 0 HB3 SER A 83 17.061 8.100 4.904 1.00 0.00 H new ATOM 0 HG SER A 83 17.777 8.403 7.089 1.00 0.00 H new ATOM 1244 N GLY A 84 14.649 11.126 6.118 1.00 0.00 N ATOM 1245 CA GLY A 84 14.105 12.154 6.985 1.00 0.00 C ATOM 1246 C GLY A 84 13.156 13.084 6.257 1.00 0.00 C ATOM 1247 O GLY A 84 13.409 14.308 6.253 1.00 0.00 O ATOM 1248 OXT GLY A 84 12.159 12.590 5.689 1.00 0.00 O ATOM 0 H GLY A 84 14.036 10.325 5.966 1.00 0.00 H new ATOM 0 HA2 GLY A 84 13.581 11.683 7.817 1.00 0.00 H new ATOM 0 HA3 GLY A 84 14.923 12.735 7.411 1.00 0.00 H new TER 1252 GLY A 84