USER MOD reduce.3.24.130724 H: found=0, std=0, add=458, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 457 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 25 THR OG1 : rot -59:sc= 1.31 USER MOD Set 1.2: A 27 CYS SG : rot -68:sc= 0.0545 USER MOD Set 2.1: A 12 SER OG : rot 180:sc= 0.56 USER MOD Set 2.2: A 15 GLN : amide:sc= -1.06 K(o=-0.5,f=0.25) USER MOD Single : A 7 LYS NZ :NH3+ -169:sc=-0.00371 (180deg=-0.168) USER MOD Single : A 9 LYS NZ :NH3+ 177:sc= 0.289 (180deg=0.261) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 75:sc= 0.825 USER MOD Single : A 23 SER OG : rot 104:sc= 1.24 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 SER OG : rot 72:sc= 1.02 USER MOD Single : A 34 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0337) USER MOD Single : A 35 TYR OH : rot -157:sc= 0.167 USER MOD Single : A 37 GLN : amide:sc= -0.482 X(o=-0.48,f=-0.48) USER MOD Single : A 39 ASN : amide:sc= 1.01 K(o=1,f=-0.81) USER MOD Single : A 40 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 42 ASN : amide:sc= 0.146 K(o=0.15,f=-0.62) USER MOD Single : A 44 ASN : amide:sc= 0 K(o=0,f=-0.84) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 ASN : amide:sc= -1.09! K(o=-1.1!,f=0.21) USER MOD Single : A 50 TYR OH : rot 180:sc= -0.0692 USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 162:sc= 1.24 (180deg=0.946) USER MOD Single : A 57 THR OG1 : rot 180:sc= -0.0206 USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ILE A 6 20.082 -7.428 -9.185 1.00 0.00 N ATOM 2 CA ILE A 6 20.988 -8.043 -8.223 1.00 0.00 C ATOM 3 C ILE A 6 22.142 -7.104 -7.890 1.00 0.00 C ATOM 4 O ILE A 6 22.425 -6.163 -8.634 1.00 0.00 O ATOM 5 CB ILE A 6 21.496 -9.397 -8.745 1.00 0.00 C ATOM 6 CG1 ILE A 6 22.288 -9.209 -10.048 1.00 0.00 C ATOM 7 CG2 ILE A 6 20.305 -10.339 -8.953 1.00 0.00 C ATOM 8 CD1 ILE A 6 22.871 -10.533 -10.546 1.00 0.00 C ATOM 0 HA ILE A 6 20.438 -8.229 -7.300 1.00 0.00 H new ATOM 0 HB ILE A 6 22.170 -9.839 -8.011 1.00 0.00 H new ATOM 0 HG12 ILE A 6 21.637 -8.786 -10.813 1.00 0.00 H new ATOM 0 HG13 ILE A 6 23.094 -8.494 -9.885 1.00 0.00 H new ATOM 0 HG21 ILE A 6 20.662 -11.300 -9.323 1.00 0.00 H new ATOM 0 HG22 ILE A 6 19.787 -10.485 -8.005 1.00 0.00 H new ATOM 0 HG23 ILE A 6 19.619 -9.903 -9.679 1.00 0.00 H new ATOM 0 HD11 ILE A 6 23.425 -10.362 -11.469 1.00 0.00 H new ATOM 0 HD12 ILE A 6 23.542 -10.942 -9.791 1.00 0.00 H new ATOM 0 HD13 ILE A 6 22.062 -11.239 -10.733 1.00 0.00 H new ATOM 19 N LYS A 7 22.813 -7.368 -6.762 1.00 0.00 N ATOM 20 CA LYS A 7 23.959 -6.609 -6.281 1.00 0.00 C ATOM 21 C LYS A 7 23.749 -5.096 -6.301 1.00 0.00 C ATOM 22 O LYS A 7 24.704 -4.342 -6.494 1.00 0.00 O ATOM 23 CB LYS A 7 25.213 -7.045 -7.042 1.00 0.00 C ATOM 24 CG LYS A 7 25.440 -8.550 -6.889 1.00 0.00 C ATOM 25 CD LYS A 7 26.646 -8.973 -7.730 1.00 0.00 C ATOM 26 CE LYS A 7 26.892 -10.477 -7.612 1.00 0.00 C ATOM 27 NZ LYS A 7 27.257 -10.866 -6.234 1.00 0.00 N ATOM 0 H LYS A 7 22.561 -8.140 -6.145 1.00 0.00 H new ATOM 0 HA LYS A 7 24.091 -6.841 -5.224 1.00 0.00 H new ATOM 0 HB2 LYS A 7 25.110 -6.793 -8.097 1.00 0.00 H new ATOM 0 HB3 LYS A 7 26.080 -6.501 -6.667 1.00 0.00 H new ATOM 0 HG2 LYS A 7 25.609 -8.798 -5.841 1.00 0.00 H new ATOM 0 HG3 LYS A 7 24.552 -9.097 -7.207 1.00 0.00 H new ATOM 0 HD2 LYS A 7 26.477 -8.709 -8.774 1.00 0.00 H new ATOM 0 HD3 LYS A 7 27.532 -8.429 -7.403 1.00 0.00 H new ATOM 0 HE2 LYS A 7 25.996 -11.017 -7.917 1.00 0.00 H new ATOM 0 HE3 LYS A 7 27.689 -10.770 -8.296 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 27.595 -11.849 -6.229 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 28.009 -10.239 -5.884 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 26.423 -10.784 -5.618 1.00 0.00 H new ATOM 41 N ARG A 8 22.503 -4.643 -6.104 1.00 0.00 N ATOM 42 CA ARG A 8 22.166 -3.223 -6.077 1.00 0.00 C ATOM 43 C ARG A 8 22.738 -2.556 -4.827 1.00 0.00 C ATOM 44 O ARG A 8 22.573 -3.060 -3.717 1.00 0.00 O ATOM 45 CB ARG A 8 20.645 -3.045 -6.188 1.00 0.00 C ATOM 46 CG ARG A 8 19.867 -3.841 -5.152 1.00 0.00 C ATOM 47 CD ARG A 8 18.368 -3.806 -5.459 1.00 0.00 C ATOM 48 NE ARG A 8 17.599 -4.468 -4.399 1.00 0.00 N ATOM 49 CZ ARG A 8 17.365 -5.782 -4.339 1.00 0.00 C ATOM 50 NH1 ARG A 8 17.821 -6.603 -5.281 1.00 0.00 N ATOM 51 NH2 ARG A 8 16.668 -6.290 -3.326 1.00 0.00 N ATOM 0 H ARG A 8 21.702 -5.257 -5.959 1.00 0.00 H new ATOM 0 HA ARG A 8 22.621 -2.727 -6.935 1.00 0.00 H new ATOM 0 HB2 ARG A 8 20.402 -1.988 -6.081 1.00 0.00 H new ATOM 0 HB3 ARG A 8 20.323 -3.347 -7.185 1.00 0.00 H new ATOM 0 HG2 ARG A 8 20.217 -4.873 -5.141 1.00 0.00 H new ATOM 0 HG3 ARG A 8 20.050 -3.431 -4.159 1.00 0.00 H new ATOM 0 HD2 ARG A 8 18.038 -2.772 -5.561 1.00 0.00 H new ATOM 0 HD3 ARG A 8 18.177 -4.297 -6.413 1.00 0.00 H new ATOM 0 HE ARG A 8 17.216 -3.884 -3.656 1.00 0.00 H new ATOM 0 HH11 ARG A 8 18.358 -6.232 -6.064 1.00 0.00 H new ATOM 0 HH12 ARG A 8 17.633 -7.604 -5.220 1.00 0.00 H new ATOM 0 HH21 ARG A 8 16.311 -5.676 -2.594 1.00 0.00 H new ATOM 0 HH22 ARG A 8 16.490 -7.293 -3.282 1.00 0.00 H new ATOM 65 N LYS A 9 23.414 -1.417 -5.015 1.00 0.00 N ATOM 66 CA LYS A 9 24.095 -0.680 -3.960 1.00 0.00 C ATOM 67 C LYS A 9 23.404 0.632 -3.615 1.00 0.00 C ATOM 68 O LYS A 9 23.978 1.470 -2.919 1.00 0.00 O ATOM 69 CB LYS A 9 25.531 -0.440 -4.409 1.00 0.00 C ATOM 70 CG LYS A 9 26.205 -1.768 -4.745 1.00 0.00 C ATOM 71 CD LYS A 9 27.530 -1.459 -5.419 1.00 0.00 C ATOM 72 CE LYS A 9 28.336 -2.737 -5.660 1.00 0.00 C ATOM 73 NZ LYS A 9 27.651 -3.636 -6.607 1.00 0.00 N ATOM 0 H LYS A 9 23.501 -0.976 -5.931 1.00 0.00 H new ATOM 0 HA LYS A 9 24.071 -1.272 -3.045 1.00 0.00 H new ATOM 0 HB2 LYS A 9 25.543 0.214 -5.281 1.00 0.00 H new ATOM 0 HB3 LYS A 9 26.086 0.069 -3.621 1.00 0.00 H new ATOM 0 HG2 LYS A 9 26.364 -2.355 -3.841 1.00 0.00 H new ATOM 0 HG3 LYS A 9 25.571 -2.362 -5.403 1.00 0.00 H new ATOM 0 HD2 LYS A 9 27.350 -0.954 -6.368 1.00 0.00 H new ATOM 0 HD3 LYS A 9 28.106 -0.773 -4.798 1.00 0.00 H new ATOM 0 HE2 LYS A 9 29.321 -2.479 -6.049 1.00 0.00 H new ATOM 0 HE3 LYS A 9 28.492 -3.254 -4.713 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 28.247 -4.469 -6.788 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 26.743 -3.941 -6.201 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 27.479 -3.133 -7.501 1.00 0.00 H new ATOM 87 N ASP A 10 22.178 0.812 -4.100 1.00 0.00 N ATOM 88 CA ASP A 10 21.427 2.039 -3.877 1.00 0.00 C ATOM 89 C ASP A 10 19.960 1.730 -3.579 1.00 0.00 C ATOM 90 O ASP A 10 19.076 2.539 -3.859 1.00 0.00 O ATOM 91 CB ASP A 10 21.599 2.964 -5.084 1.00 0.00 C ATOM 92 CG ASP A 10 21.030 4.359 -4.828 1.00 0.00 C ATOM 93 OD1 ASP A 10 21.337 4.924 -3.754 1.00 0.00 O ATOM 94 OD2 ASP A 10 20.294 4.850 -5.712 1.00 0.00 O ATOM 0 H ASP A 10 21.682 0.115 -4.655 1.00 0.00 H new ATOM 0 HA ASP A 10 21.816 2.556 -3.000 1.00 0.00 H new ATOM 0 HB2 ASP A 10 22.658 3.045 -5.330 1.00 0.00 H new ATOM 0 HB3 ASP A 10 21.104 2.525 -5.950 1.00 0.00 H new ATOM 99 N ALA A 11 19.700 0.550 -3.009 1.00 0.00 N ATOM 100 CA ALA A 11 18.353 0.090 -2.715 1.00 0.00 C ATOM 101 C ALA A 11 18.289 -0.624 -1.366 1.00 0.00 C ATOM 102 O ALA A 11 19.312 -0.829 -0.711 1.00 0.00 O ATOM 103 CB ALA A 11 17.907 -0.844 -3.836 1.00 0.00 C ATOM 0 H ALA A 11 20.427 -0.112 -2.739 1.00 0.00 H new ATOM 0 HA ALA A 11 17.685 0.950 -2.654 1.00 0.00 H new ATOM 0 HB1 ALA A 11 16.897 -1.200 -3.633 1.00 0.00 H new ATOM 0 HB2 ALA A 11 17.918 -0.306 -4.784 1.00 0.00 H new ATOM 0 HB3 ALA A 11 18.587 -1.694 -3.893 1.00 0.00 H new ATOM 109 N SER A 12 17.074 -1.000 -0.958 1.00 0.00 N ATOM 110 CA SER A 12 16.815 -1.683 0.301 1.00 0.00 C ATOM 111 C SER A 12 15.636 -2.640 0.115 1.00 0.00 C ATOM 112 O SER A 12 15.015 -2.631 -0.947 1.00 0.00 O ATOM 113 CB SER A 12 16.540 -0.628 1.378 1.00 0.00 C ATOM 114 OG SER A 12 15.155 -0.390 1.522 1.00 0.00 O ATOM 0 H SER A 12 16.231 -0.833 -1.507 1.00 0.00 H new ATOM 0 HA SER A 12 17.674 -2.275 0.617 1.00 0.00 H new ATOM 0 HB2 SER A 12 16.955 -0.960 2.330 1.00 0.00 H new ATOM 0 HB3 SER A 12 17.046 0.302 1.117 1.00 0.00 H new ATOM 0 HG SER A 12 15.010 0.286 2.216 1.00 0.00 H new ATOM 120 N PRO A 13 15.303 -3.471 1.112 1.00 0.00 N ATOM 121 CA PRO A 13 14.206 -4.421 1.008 1.00 0.00 C ATOM 122 C PRO A 13 12.880 -3.681 1.053 1.00 0.00 C ATOM 123 O PRO A 13 11.890 -4.119 0.473 1.00 0.00 O ATOM 124 CB PRO A 13 14.340 -5.294 2.250 1.00 0.00 C ATOM 125 CG PRO A 13 14.914 -4.312 3.273 1.00 0.00 C ATOM 126 CD PRO A 13 15.922 -3.544 2.422 1.00 0.00 C ATOM 0 HA PRO A 13 14.237 -4.995 0.082 1.00 0.00 H new ATOM 0 HB2 PRO A 13 13.380 -5.699 2.569 1.00 0.00 H new ATOM 0 HB3 PRO A 13 15.004 -6.142 2.082 1.00 0.00 H new ATOM 0 HG2 PRO A 13 14.147 -3.659 3.690 1.00 0.00 H new ATOM 0 HG3 PRO A 13 15.389 -4.823 4.111 1.00 0.00 H new ATOM 0 HD2 PRO A 13 16.111 -2.550 2.829 1.00 0.00 H new ATOM 0 HD3 PRO A 13 16.882 -4.059 2.380 1.00 0.00 H new ATOM 134 N GLU A 14 12.874 -2.549 1.754 1.00 0.00 N ATOM 135 CA GLU A 14 11.705 -1.705 1.860 1.00 0.00 C ATOM 136 C GLU A 14 11.550 -0.918 0.563 1.00 0.00 C ATOM 137 O GLU A 14 10.435 -0.618 0.152 1.00 0.00 O ATOM 138 CB GLU A 14 11.877 -0.761 3.047 1.00 0.00 C ATOM 139 CG GLU A 14 11.922 -1.509 4.378 1.00 0.00 C ATOM 140 CD GLU A 14 11.989 -0.546 5.564 1.00 0.00 C ATOM 141 OE1 GLU A 14 12.051 0.682 5.324 1.00 0.00 O ATOM 142 OE2 GLU A 14 11.980 -1.048 6.711 1.00 0.00 O ATOM 0 H GLU A 14 13.686 -2.198 2.262 1.00 0.00 H new ATOM 0 HA GLU A 14 10.810 -2.306 2.020 1.00 0.00 H new ATOM 0 HB2 GLU A 14 12.796 -0.188 2.923 1.00 0.00 H new ATOM 0 HB3 GLU A 14 11.055 -0.046 3.062 1.00 0.00 H new ATOM 0 HG2 GLU A 14 11.038 -2.140 4.471 1.00 0.00 H new ATOM 0 HG3 GLU A 14 12.789 -2.169 4.396 1.00 0.00 H new ATOM 149 N GLN A 15 12.667 -0.584 -0.089 1.00 0.00 N ATOM 150 CA GLN A 15 12.653 0.203 -1.313 1.00 0.00 C ATOM 151 C GLN A 15 12.064 -0.576 -2.473 1.00 0.00 C ATOM 152 O GLN A 15 11.603 0.005 -3.453 1.00 0.00 O ATOM 153 CB GLN A 15 14.084 0.636 -1.635 1.00 0.00 C ATOM 154 CG GLN A 15 14.110 2.152 -1.781 1.00 0.00 C ATOM 155 CD GLN A 15 13.528 2.788 -0.524 1.00 0.00 C ATOM 156 OE1 GLN A 15 12.816 3.787 -0.583 1.00 0.00 O ATOM 157 NE2 GLN A 15 13.827 2.197 0.629 1.00 0.00 N ATOM 0 H GLN A 15 13.601 -0.853 0.220 1.00 0.00 H new ATOM 0 HA GLN A 15 12.021 1.078 -1.160 1.00 0.00 H new ATOM 0 HB2 GLN A 15 14.762 0.320 -0.842 1.00 0.00 H new ATOM 0 HB3 GLN A 15 14.425 0.161 -2.555 1.00 0.00 H new ATOM 0 HG2 GLN A 15 15.132 2.497 -1.937 1.00 0.00 H new ATOM 0 HG3 GLN A 15 13.534 2.455 -2.656 1.00 0.00 H new ATOM 0 HE21 GLN A 15 14.422 1.368 0.638 1.00 0.00 H new ATOM 0 HE22 GLN A 15 13.461 2.572 1.504 1.00 0.00 H new ATOM 166 N GLU A 16 12.079 -1.897 -2.357 1.00 0.00 N ATOM 167 CA GLU A 16 11.523 -2.749 -3.400 1.00 0.00 C ATOM 168 C GLU A 16 10.004 -2.815 -3.285 1.00 0.00 C ATOM 169 O GLU A 16 9.317 -3.051 -4.278 1.00 0.00 O ATOM 170 CB GLU A 16 12.119 -4.150 -3.288 1.00 0.00 C ATOM 171 CG GLU A 16 13.603 -4.162 -3.644 1.00 0.00 C ATOM 172 CD GLU A 16 13.827 -3.973 -5.143 1.00 0.00 C ATOM 173 OE1 GLU A 16 13.690 -4.979 -5.877 1.00 0.00 O ATOM 174 OE2 GLU A 16 14.130 -2.830 -5.547 1.00 0.00 O ATOM 0 H GLU A 16 12.467 -2.399 -1.558 1.00 0.00 H new ATOM 0 HA GLU A 16 11.775 -2.326 -4.372 1.00 0.00 H new ATOM 0 HB2 GLU A 16 11.985 -4.522 -2.272 1.00 0.00 H new ATOM 0 HB3 GLU A 16 11.581 -4.829 -3.950 1.00 0.00 H new ATOM 0 HG2 GLU A 16 14.115 -3.370 -3.097 1.00 0.00 H new ATOM 0 HG3 GLU A 16 14.046 -5.106 -3.326 1.00 0.00 H new ATOM 181 N ALA A 17 9.483 -2.603 -2.074 1.00 0.00 N ATOM 182 CA ALA A 17 8.045 -2.587 -1.839 1.00 0.00 C ATOM 183 C ALA A 17 7.482 -1.164 -1.857 1.00 0.00 C ATOM 184 O ALA A 17 6.328 -0.967 -2.233 1.00 0.00 O ATOM 185 CB ALA A 17 7.765 -3.274 -0.505 1.00 0.00 C ATOM 0 H ALA A 17 10.044 -2.439 -1.238 1.00 0.00 H new ATOM 0 HA ALA A 17 7.545 -3.125 -2.644 1.00 0.00 H new ATOM 0 HB1 ALA A 17 6.692 -3.271 -0.312 1.00 0.00 H new ATOM 0 HB2 ALA A 17 8.124 -4.302 -0.543 1.00 0.00 H new ATOM 0 HB3 ALA A 17 8.278 -2.740 0.294 1.00 0.00 H new ATOM 191 N ILE A 18 8.282 -0.171 -1.459 1.00 0.00 N ATOM 192 CA ILE A 18 7.836 1.213 -1.366 1.00 0.00 C ATOM 193 C ILE A 18 7.769 1.864 -2.745 1.00 0.00 C ATOM 194 O ILE A 18 6.916 2.722 -2.975 1.00 0.00 O ATOM 195 CB ILE A 18 8.784 1.977 -0.428 1.00 0.00 C ATOM 196 CG1 ILE A 18 8.516 1.524 1.015 1.00 0.00 C ATOM 197 CG2 ILE A 18 8.595 3.491 -0.549 1.00 0.00 C ATOM 198 CD1 ILE A 18 9.589 2.020 1.985 1.00 0.00 C ATOM 0 H ILE A 18 9.257 -0.309 -1.193 1.00 0.00 H new ATOM 0 HA ILE A 18 6.826 1.243 -0.956 1.00 0.00 H new ATOM 0 HB ILE A 18 9.813 1.755 -0.709 1.00 0.00 H new ATOM 0 HG12 ILE A 18 7.541 1.893 1.335 1.00 0.00 H new ATOM 0 HG13 ILE A 18 8.472 0.435 1.050 1.00 0.00 H new ATOM 0 HG21 ILE A 18 9.282 3.999 0.129 1.00 0.00 H new ATOM 0 HG22 ILE A 18 8.799 3.802 -1.573 1.00 0.00 H new ATOM 0 HG23 ILE A 18 7.569 3.752 -0.288 1.00 0.00 H new ATOM 0 HD11 ILE A 18 9.356 1.675 2.992 1.00 0.00 H new ATOM 0 HD12 ILE A 18 10.561 1.630 1.683 1.00 0.00 H new ATOM 0 HD13 ILE A 18 9.616 3.110 1.972 1.00 0.00 H new ATOM 210 N GLU A 19 8.645 1.478 -3.674 1.00 0.00 N ATOM 211 CA GLU A 19 8.643 2.102 -4.987 1.00 0.00 C ATOM 212 C GLU A 19 7.437 1.641 -5.801 1.00 0.00 C ATOM 213 O GLU A 19 6.975 2.377 -6.670 1.00 0.00 O ATOM 214 CB GLU A 19 9.955 1.792 -5.707 1.00 0.00 C ATOM 215 CG GLU A 19 11.106 2.560 -5.055 1.00 0.00 C ATOM 216 CD GLU A 19 11.006 4.061 -5.339 1.00 0.00 C ATOM 217 OE1 GLU A 19 11.353 4.459 -6.474 1.00 0.00 O ATOM 218 OE2 GLU A 19 10.587 4.798 -4.420 1.00 0.00 O ATOM 0 H GLU A 19 9.349 0.752 -3.542 1.00 0.00 H new ATOM 0 HA GLU A 19 8.562 3.183 -4.870 1.00 0.00 H new ATOM 0 HB2 GLU A 19 10.155 0.721 -5.670 1.00 0.00 H new ATOM 0 HB3 GLU A 19 9.875 2.065 -6.759 1.00 0.00 H new ATOM 0 HG2 GLU A 19 11.095 2.390 -3.978 1.00 0.00 H new ATOM 0 HG3 GLU A 19 12.057 2.180 -5.428 1.00 0.00 H new ATOM 225 N SER A 20 6.919 0.437 -5.531 1.00 0.00 N ATOM 226 CA SER A 20 5.737 -0.082 -6.201 1.00 0.00 C ATOM 227 C SER A 20 4.462 0.417 -5.527 1.00 0.00 C ATOM 228 O SER A 20 3.399 0.416 -6.145 1.00 0.00 O ATOM 229 CB SER A 20 5.795 -1.604 -6.143 1.00 0.00 C ATOM 230 OG SER A 20 6.902 -2.076 -6.886 1.00 0.00 O ATOM 0 H SER A 20 7.314 -0.200 -4.839 1.00 0.00 H new ATOM 0 HA SER A 20 5.720 0.264 -7.235 1.00 0.00 H new ATOM 0 HB2 SER A 20 5.875 -1.934 -5.107 1.00 0.00 H new ATOM 0 HB3 SER A 20 4.873 -2.026 -6.542 1.00 0.00 H new ATOM 0 HG SER A 20 6.932 -3.055 -6.842 1.00 0.00 H new ATOM 236 N PHE A 21 4.560 0.845 -4.266 1.00 0.00 N ATOM 237 CA PHE A 21 3.430 1.401 -3.541 1.00 0.00 C ATOM 238 C PHE A 21 3.137 2.799 -4.069 1.00 0.00 C ATOM 239 O PHE A 21 1.993 3.138 -4.366 1.00 0.00 O ATOM 240 CB PHE A 21 3.791 1.463 -2.059 1.00 0.00 C ATOM 241 CG PHE A 21 2.645 1.803 -1.124 1.00 0.00 C ATOM 242 CD1 PHE A 21 2.155 3.114 -1.058 1.00 0.00 C ATOM 243 CD2 PHE A 21 2.078 0.813 -0.309 1.00 0.00 C ATOM 244 CE1 PHE A 21 1.074 3.420 -0.223 1.00 0.00 C ATOM 245 CE2 PHE A 21 0.994 1.116 0.527 1.00 0.00 C ATOM 246 CZ PHE A 21 0.486 2.422 0.564 1.00 0.00 C ATOM 0 H PHE A 21 5.425 0.813 -3.726 1.00 0.00 H new ATOM 0 HA PHE A 21 2.544 0.780 -3.676 1.00 0.00 H new ATOM 0 HB2 PHE A 21 4.206 0.499 -1.763 1.00 0.00 H new ATOM 0 HB3 PHE A 21 4.579 2.204 -1.925 1.00 0.00 H new ATOM 0 HD1 PHE A 21 2.613 3.891 -1.653 1.00 0.00 H new ATOM 0 HD2 PHE A 21 2.479 -0.190 -0.325 1.00 0.00 H new ATOM 0 HE1 PHE A 21 0.692 4.429 -0.186 1.00 0.00 H new ATOM 0 HE2 PHE A 21 0.552 0.345 1.141 1.00 0.00 H new ATOM 0 HZ PHE A 21 -0.356 2.658 1.198 1.00 0.00 H new ATOM 256 N THR A 22 4.192 3.607 -4.186 1.00 0.00 N ATOM 257 CA THR A 22 4.114 4.977 -4.687 1.00 0.00 C ATOM 258 C THR A 22 3.878 4.988 -6.195 1.00 0.00 C ATOM 259 O THR A 22 3.673 6.045 -6.787 1.00 0.00 O ATOM 260 CB THR A 22 5.422 5.718 -4.401 1.00 0.00 C ATOM 261 OG1 THR A 22 6.017 5.265 -3.203 1.00 0.00 O ATOM 262 CG2 THR A 22 5.187 7.218 -4.237 1.00 0.00 C ATOM 0 H THR A 22 5.138 3.322 -3.931 1.00 0.00 H new ATOM 0 HA THR A 22 3.283 5.469 -4.182 1.00 0.00 H new ATOM 0 HB THR A 22 6.073 5.522 -5.253 1.00 0.00 H new ATOM 0 HG1 THR A 22 6.420 4.384 -3.351 1.00 0.00 H new ATOM 0 HG21 THR A 22 6.136 7.715 -4.035 1.00 0.00 H new ATOM 0 HG22 THR A 22 4.754 7.621 -5.153 1.00 0.00 H new ATOM 0 HG23 THR A 22 4.503 7.390 -3.406 1.00 0.00 H new ATOM 270 N SER A 23 3.904 3.813 -6.830 1.00 0.00 N ATOM 271 CA SER A 23 3.605 3.694 -8.248 1.00 0.00 C ATOM 272 C SER A 23 2.116 3.448 -8.469 1.00 0.00 C ATOM 273 O SER A 23 1.611 3.637 -9.576 1.00 0.00 O ATOM 274 CB SER A 23 4.385 2.534 -8.847 1.00 0.00 C ATOM 275 OG SER A 23 5.762 2.830 -8.916 1.00 0.00 O ATOM 0 H SER A 23 4.131 2.929 -6.375 1.00 0.00 H new ATOM 0 HA SER A 23 3.891 4.628 -8.732 1.00 0.00 H new ATOM 0 HB2 SER A 23 4.232 1.639 -8.244 1.00 0.00 H new ATOM 0 HB3 SER A 23 4.007 2.314 -9.845 1.00 0.00 H new ATOM 0 HG SER A 23 6.235 2.353 -8.203 1.00 0.00 H new ATOM 281 N LEU A 24 1.420 3.027 -7.412 1.00 0.00 N ATOM 282 CA LEU A 24 0.008 2.687 -7.464 1.00 0.00 C ATOM 283 C LEU A 24 -0.802 3.624 -6.576 1.00 0.00 C ATOM 284 O LEU A 24 -2.032 3.622 -6.630 1.00 0.00 O ATOM 285 CB LEU A 24 -0.157 1.237 -7.019 1.00 0.00 C ATOM 286 CG LEU A 24 0.428 0.250 -8.034 1.00 0.00 C ATOM 287 CD1 LEU A 24 0.361 -1.166 -7.468 1.00 0.00 C ATOM 288 CD2 LEU A 24 -0.341 0.281 -9.355 1.00 0.00 C ATOM 0 H LEU A 24 1.832 2.913 -6.486 1.00 0.00 H new ATOM 0 HA LEU A 24 -0.363 2.801 -8.482 1.00 0.00 H new ATOM 0 HB2 LEU A 24 0.332 1.097 -6.055 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -1.216 1.022 -6.874 1.00 0.00 H new ATOM 0 HG LEU A 24 1.461 0.543 -8.222 1.00 0.00 H new ATOM 0 HD11 LEU A 24 0.778 -1.867 -8.191 1.00 0.00 H new ATOM 0 HD12 LEU A 24 0.935 -1.215 -6.543 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -0.677 -1.428 -7.265 1.00 0.00 H new ATOM 0 HD21 LEU A 24 0.102 -0.432 -10.051 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -1.383 0.014 -9.176 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -0.292 1.283 -9.781 1.00 0.00 H new ATOM 300 N THR A 25 -0.111 4.420 -5.760 1.00 0.00 N ATOM 301 CA THR A 25 -0.713 5.475 -4.966 1.00 0.00 C ATOM 302 C THR A 25 0.129 6.731 -5.158 1.00 0.00 C ATOM 303 O THR A 25 1.299 6.633 -5.521 1.00 0.00 O ATOM 304 CB THR A 25 -0.785 5.094 -3.487 1.00 0.00 C ATOM 305 OG1 THR A 25 0.520 4.939 -2.978 1.00 0.00 O ATOM 306 CG2 THR A 25 -1.562 3.797 -3.282 1.00 0.00 C ATOM 0 H THR A 25 0.898 4.343 -5.635 1.00 0.00 H new ATOM 0 HA THR A 25 -1.739 5.645 -5.294 1.00 0.00 H new ATOM 0 HB THR A 25 -1.306 5.892 -2.957 1.00 0.00 H new ATOM 0 HG1 THR A 25 0.989 4.244 -3.485 1.00 0.00 H new ATOM 0 HG21 THR A 25 -1.594 3.556 -2.219 1.00 0.00 H new ATOM 0 HG22 THR A 25 -2.578 3.919 -3.657 1.00 0.00 H new ATOM 0 HG23 THR A 25 -1.070 2.989 -3.823 1.00 0.00 H new ATOM 314 N LYS A 26 -0.444 7.914 -4.922 1.00 0.00 N ATOM 315 CA LYS A 26 0.238 9.174 -5.198 1.00 0.00 C ATOM 316 C LYS A 26 0.600 9.927 -3.921 1.00 0.00 C ATOM 317 O LYS A 26 0.716 11.150 -3.931 1.00 0.00 O ATOM 318 CB LYS A 26 -0.579 10.009 -6.190 1.00 0.00 C ATOM 319 CG LYS A 26 -0.819 9.255 -7.506 1.00 0.00 C ATOM 320 CD LYS A 26 0.480 8.797 -8.180 1.00 0.00 C ATOM 321 CE LYS A 26 1.384 9.991 -8.491 1.00 0.00 C ATOM 322 NZ LYS A 26 2.638 9.557 -9.137 1.00 0.00 N ATOM 0 H LYS A 26 -1.383 8.022 -4.539 1.00 0.00 H new ATOM 0 HA LYS A 26 1.195 8.955 -5.673 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -1.537 10.272 -5.742 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -0.056 10.943 -6.396 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -1.447 8.385 -7.311 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -1.370 9.899 -8.192 1.00 0.00 H new ATOM 0 HD2 LYS A 26 1.005 8.098 -7.529 1.00 0.00 H new ATOM 0 HD3 LYS A 26 0.248 8.262 -9.101 1.00 0.00 H new ATOM 0 HE2 LYS A 26 0.858 10.688 -9.143 1.00 0.00 H new ATOM 0 HE3 LYS A 26 1.613 10.527 -7.570 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 3.231 10.388 -9.336 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 3.149 8.910 -8.503 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 2.418 9.067 -10.028 1.00 0.00 H new ATOM 336 N CYS A 27 0.775 9.191 -2.821 1.00 0.00 N ATOM 337 CA CYS A 27 1.231 9.758 -1.564 1.00 0.00 C ATOM 338 C CYS A 27 2.759 9.783 -1.555 1.00 0.00 C ATOM 339 O CYS A 27 3.392 9.358 -2.518 1.00 0.00 O ATOM 340 CB CYS A 27 0.680 8.930 -0.399 1.00 0.00 C ATOM 341 SG CYS A 27 1.309 7.233 -0.512 1.00 0.00 S ATOM 0 H CYS A 27 0.603 8.186 -2.784 1.00 0.00 H new ATOM 0 HA CYS A 27 0.867 10.779 -1.453 1.00 0.00 H new ATOM 0 HB2 CYS A 27 0.976 9.376 0.550 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -0.410 8.928 -0.424 1.00 0.00 H new ATOM 0 HG CYS A 27 0.790 6.646 -1.549 1.00 0.00 H new ATOM 347 N ASP A 28 3.365 10.278 -0.474 1.00 0.00 N ATOM 348 CA ASP A 28 4.806 10.256 -0.333 1.00 0.00 C ATOM 349 C ASP A 28 5.283 8.825 -0.069 1.00 0.00 C ATOM 350 O ASP A 28 4.518 8.002 0.436 1.00 0.00 O ATOM 351 CB ASP A 28 5.188 11.178 0.818 1.00 0.00 C ATOM 352 CG ASP A 28 4.803 12.627 0.529 1.00 0.00 C ATOM 353 OD1 ASP A 28 5.542 13.276 -0.244 1.00 0.00 O ATOM 354 OD2 ASP A 28 3.775 13.073 1.087 1.00 0.00 O ATOM 0 H ASP A 28 2.871 10.698 0.313 1.00 0.00 H new ATOM 0 HA ASP A 28 5.284 10.603 -1.249 1.00 0.00 H new ATOM 0 HB2 ASP A 28 4.694 10.845 1.731 1.00 0.00 H new ATOM 0 HB3 ASP A 28 6.262 11.115 0.995 1.00 0.00 H new ATOM 359 N PRO A 29 6.541 8.502 -0.397 1.00 0.00 N ATOM 360 CA PRO A 29 7.104 7.175 -0.189 1.00 0.00 C ATOM 361 C PRO A 29 7.084 6.793 1.281 1.00 0.00 C ATOM 362 O PRO A 29 7.011 5.619 1.637 1.00 0.00 O ATOM 363 CB PRO A 29 8.562 7.299 -0.634 1.00 0.00 C ATOM 364 CG PRO A 29 8.521 8.425 -1.662 1.00 0.00 C ATOM 365 CD PRO A 29 7.522 9.376 -1.005 1.00 0.00 C ATOM 0 HA PRO A 29 6.539 6.419 -0.734 1.00 0.00 H new ATOM 0 HB2 PRO A 29 9.218 7.541 0.202 1.00 0.00 H new ATOM 0 HB3 PRO A 29 8.930 6.370 -1.069 1.00 0.00 H new ATOM 0 HG2 PRO A 29 9.497 8.887 -1.808 1.00 0.00 H new ATOM 0 HG3 PRO A 29 8.182 8.080 -2.639 1.00 0.00 H new ATOM 0 HD2 PRO A 29 8.006 10.009 -0.261 1.00 0.00 H new ATOM 0 HD3 PRO A 29 7.063 10.039 -1.738 1.00 0.00 H new ATOM 373 N LYS A 30 7.154 7.813 2.135 1.00 0.00 N ATOM 374 CA LYS A 30 7.242 7.650 3.562 1.00 0.00 C ATOM 375 C LYS A 30 5.937 7.131 4.164 1.00 0.00 C ATOM 376 O LYS A 30 5.923 6.672 5.306 1.00 0.00 O ATOM 377 CB LYS A 30 7.634 9.000 4.133 1.00 0.00 C ATOM 378 CG LYS A 30 9.059 9.300 3.684 1.00 0.00 C ATOM 379 CD LYS A 30 9.521 10.518 4.456 1.00 0.00 C ATOM 380 CE LYS A 30 10.965 10.861 4.095 1.00 0.00 C ATOM 381 NZ LYS A 30 11.444 12.035 4.850 1.00 0.00 N ATOM 0 H LYS A 30 7.150 8.788 1.836 1.00 0.00 H new ATOM 0 HA LYS A 30 7.988 6.896 3.814 1.00 0.00 H new ATOM 0 HB2 LYS A 30 6.952 9.775 3.783 1.00 0.00 H new ATOM 0 HB3 LYS A 30 7.571 8.987 5.221 1.00 0.00 H new ATOM 0 HG2 LYS A 30 9.712 8.449 3.880 1.00 0.00 H new ATOM 0 HG3 LYS A 30 9.093 9.488 2.611 1.00 0.00 H new ATOM 0 HD2 LYS A 30 8.873 11.365 4.233 1.00 0.00 H new ATOM 0 HD3 LYS A 30 9.442 10.329 5.527 1.00 0.00 H new ATOM 0 HE2 LYS A 30 11.607 10.005 4.304 1.00 0.00 H new ATOM 0 HE3 LYS A 30 11.037 11.060 3.026 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 12.427 12.242 4.582 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 10.845 12.857 4.631 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 11.398 11.835 5.869 1.00 0.00 H new ATOM 395 N VAL A 31 4.841 7.201 3.401 1.00 0.00 N ATOM 396 CA VAL A 31 3.546 6.691 3.828 1.00 0.00 C ATOM 397 C VAL A 31 3.444 5.201 3.510 1.00 0.00 C ATOM 398 O VAL A 31 2.690 4.479 4.162 1.00 0.00 O ATOM 399 CB VAL A 31 2.435 7.490 3.133 1.00 0.00 C ATOM 400 CG1 VAL A 31 1.051 6.993 3.553 1.00 0.00 C ATOM 401 CG2 VAL A 31 2.542 8.970 3.503 1.00 0.00 C ATOM 0 H VAL A 31 4.833 7.615 2.469 1.00 0.00 H new ATOM 0 HA VAL A 31 3.434 6.809 4.906 1.00 0.00 H new ATOM 0 HB VAL A 31 2.558 7.355 2.058 1.00 0.00 H new ATOM 0 HG11 VAL A 31 0.285 7.578 3.045 1.00 0.00 H new ATOM 0 HG12 VAL A 31 0.944 5.942 3.283 1.00 0.00 H new ATOM 0 HG13 VAL A 31 0.936 7.104 4.631 1.00 0.00 H new ATOM 0 HG21 VAL A 31 1.749 9.528 3.005 1.00 0.00 H new ATOM 0 HG22 VAL A 31 2.442 9.083 4.582 1.00 0.00 H new ATOM 0 HG23 VAL A 31 3.511 9.355 3.186 1.00 0.00 H new ATOM 411 N SER A 32 4.199 4.720 2.516 1.00 0.00 N ATOM 412 CA SER A 32 4.173 3.311 2.156 1.00 0.00 C ATOM 413 C SER A 32 4.837 2.473 3.238 1.00 0.00 C ATOM 414 O SER A 32 4.341 1.408 3.594 1.00 0.00 O ATOM 415 CB SER A 32 4.906 3.117 0.835 1.00 0.00 C ATOM 416 OG SER A 32 5.004 1.740 0.565 1.00 0.00 O ATOM 0 H SER A 32 4.831 5.289 1.953 1.00 0.00 H new ATOM 0 HA SER A 32 3.137 2.989 2.055 1.00 0.00 H new ATOM 0 HB2 SER A 32 4.372 3.622 0.030 1.00 0.00 H new ATOM 0 HB3 SER A 32 5.899 3.562 0.886 1.00 0.00 H new ATOM 0 HG SER A 32 4.121 1.391 0.322 1.00 0.00 H new ATOM 422 N ARG A 33 5.962 2.960 3.765 1.00 0.00 N ATOM 423 CA ARG A 33 6.653 2.299 4.867 1.00 0.00 C ATOM 424 C ARG A 33 5.713 2.108 6.050 1.00 0.00 C ATOM 425 O ARG A 33 5.856 1.155 6.808 1.00 0.00 O ATOM 426 CB ARG A 33 7.857 3.157 5.274 1.00 0.00 C ATOM 427 CG ARG A 33 8.473 2.680 6.594 1.00 0.00 C ATOM 428 CD ARG A 33 9.741 3.471 6.915 1.00 0.00 C ATOM 429 NE ARG A 33 10.838 3.080 6.026 1.00 0.00 N ATOM 430 CZ ARG A 33 11.671 3.916 5.404 1.00 0.00 C ATOM 431 NH1 ARG A 33 11.549 5.235 5.529 1.00 0.00 N ATOM 432 NH2 ARG A 33 12.642 3.416 4.647 1.00 0.00 N ATOM 0 H ARG A 33 6.414 3.815 3.442 1.00 0.00 H new ATOM 0 HA ARG A 33 6.993 1.313 4.548 1.00 0.00 H new ATOM 0 HB2 ARG A 33 8.611 3.123 4.487 1.00 0.00 H new ATOM 0 HB3 ARG A 33 7.546 4.197 5.372 1.00 0.00 H new ATOM 0 HG2 ARG A 33 7.751 2.798 7.402 1.00 0.00 H new ATOM 0 HG3 ARG A 33 8.708 1.618 6.529 1.00 0.00 H new ATOM 0 HD2 ARG A 33 9.545 4.538 6.811 1.00 0.00 H new ATOM 0 HD3 ARG A 33 10.029 3.300 7.952 1.00 0.00 H new ATOM 0 HE ARG A 33 10.977 2.082 5.869 1.00 0.00 H new ATOM 0 HH11 ARG A 33 10.807 5.626 6.110 1.00 0.00 H new ATOM 0 HH12 ARG A 33 12.197 5.855 5.044 1.00 0.00 H new ATOM 0 HH21 ARG A 33 12.742 2.406 4.548 1.00 0.00 H new ATOM 0 HH22 ARG A 33 13.287 4.042 4.165 1.00 0.00 H new ATOM 446 N LYS A 34 4.746 3.021 6.203 1.00 0.00 N ATOM 447 CA LYS A 34 3.798 3.022 7.305 1.00 0.00 C ATOM 448 C LYS A 34 2.586 2.141 7.004 1.00 0.00 C ATOM 449 O LYS A 34 1.914 1.698 7.933 1.00 0.00 O ATOM 450 CB LYS A 34 3.407 4.483 7.557 1.00 0.00 C ATOM 451 CG LYS A 34 2.202 4.647 8.480 1.00 0.00 C ATOM 452 CD LYS A 34 1.936 6.140 8.675 1.00 0.00 C ATOM 453 CE LYS A 34 0.571 6.371 9.319 1.00 0.00 C ATOM 454 NZ LYS A 34 0.478 5.734 10.648 1.00 0.00 N ATOM 0 H LYS A 34 4.605 3.790 5.548 1.00 0.00 H new ATOM 0 HA LYS A 34 4.247 2.596 8.202 1.00 0.00 H new ATOM 0 HB2 LYS A 34 4.259 5.008 7.990 1.00 0.00 H new ATOM 0 HB3 LYS A 34 3.189 4.961 6.602 1.00 0.00 H new ATOM 0 HG2 LYS A 34 1.327 4.160 8.050 1.00 0.00 H new ATOM 0 HG3 LYS A 34 2.393 4.168 9.440 1.00 0.00 H new ATOM 0 HD2 LYS A 34 2.716 6.574 9.301 1.00 0.00 H new ATOM 0 HD3 LYS A 34 1.979 6.650 7.713 1.00 0.00 H new ATOM 0 HE2 LYS A 34 0.391 7.442 9.415 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -0.209 5.974 8.670 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -0.415 6.010 11.104 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 0.506 4.700 10.540 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 1.277 6.042 11.238 1.00 0.00 H new ATOM 468 N TYR A 35 2.301 1.877 5.726 1.00 0.00 N ATOM 469 CA TYR A 35 1.193 1.016 5.341 1.00 0.00 C ATOM 470 C TYR A 35 1.672 -0.383 4.957 1.00 0.00 C ATOM 471 O TYR A 35 0.851 -1.257 4.706 1.00 0.00 O ATOM 472 CB TYR A 35 0.362 1.674 4.244 1.00 0.00 C ATOM 473 CG TYR A 35 -0.732 2.551 4.809 1.00 0.00 C ATOM 474 CD1 TYR A 35 -1.960 1.972 5.158 1.00 0.00 C ATOM 475 CD2 TYR A 35 -0.526 3.925 4.995 1.00 0.00 C ATOM 476 CE1 TYR A 35 -2.979 2.758 5.711 1.00 0.00 C ATOM 477 CE2 TYR A 35 -1.545 4.722 5.542 1.00 0.00 C ATOM 478 CZ TYR A 35 -2.772 4.138 5.914 1.00 0.00 C ATOM 479 OH TYR A 35 -3.759 4.896 6.469 1.00 0.00 O ATOM 0 H TYR A 35 2.830 2.253 4.939 1.00 0.00 H new ATOM 0 HA TYR A 35 0.543 0.884 6.206 1.00 0.00 H new ATOM 0 HB2 TYR A 35 1.013 2.272 3.606 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -0.081 0.903 3.614 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -2.121 0.916 5.000 1.00 0.00 H new ATOM 0 HD2 TYR A 35 0.417 4.371 4.717 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -3.922 2.307 5.982 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -1.388 5.782 5.677 1.00 0.00 H new ATOM 0 HH TYR A 35 -3.632 5.834 6.217 1.00 0.00 H new ATOM 489 N LEU A 36 2.981 -0.614 4.912 1.00 0.00 N ATOM 490 CA LEU A 36 3.539 -1.948 4.739 1.00 0.00 C ATOM 491 C LEU A 36 3.885 -2.540 6.104 1.00 0.00 C ATOM 492 O LEU A 36 4.158 -3.732 6.216 1.00 0.00 O ATOM 493 CB LEU A 36 4.790 -1.845 3.860 1.00 0.00 C ATOM 494 CG LEU A 36 4.448 -1.626 2.385 1.00 0.00 C ATOM 495 CD1 LEU A 36 5.689 -1.156 1.629 1.00 0.00 C ATOM 496 CD2 LEU A 36 3.985 -2.938 1.755 1.00 0.00 C ATOM 0 H LEU A 36 3.684 0.120 4.995 1.00 0.00 H new ATOM 0 HA LEU A 36 2.814 -2.603 4.257 1.00 0.00 H new ATOM 0 HB2 LEU A 36 5.412 -1.022 4.212 1.00 0.00 H new ATOM 0 HB3 LEU A 36 5.379 -2.756 3.962 1.00 0.00 H new ATOM 0 HG LEU A 36 3.658 -0.878 2.324 1.00 0.00 H new ATOM 0 HD11 LEU A 36 5.439 -1.002 0.579 1.00 0.00 H new ATOM 0 HD12 LEU A 36 6.044 -0.219 2.059 1.00 0.00 H new ATOM 0 HD13 LEU A 36 6.471 -1.911 1.709 1.00 0.00 H new ATOM 0 HD21 LEU A 36 3.744 -2.772 0.705 1.00 0.00 H new ATOM 0 HD22 LEU A 36 4.780 -3.679 1.832 1.00 0.00 H new ATOM 0 HD23 LEU A 36 3.100 -3.300 2.278 1.00 0.00 H new ATOM 508 N GLN A 37 3.873 -1.702 7.143 1.00 0.00 N ATOM 509 CA GLN A 37 4.288 -2.075 8.488 1.00 0.00 C ATOM 510 C GLN A 37 3.129 -2.652 9.290 1.00 0.00 C ATOM 511 O GLN A 37 3.311 -3.059 10.439 1.00 0.00 O ATOM 512 CB GLN A 37 4.920 -0.856 9.164 1.00 0.00 C ATOM 513 CG GLN A 37 6.419 -1.102 9.254 1.00 0.00 C ATOM 514 CD GLN A 37 7.237 0.169 9.418 1.00 0.00 C ATOM 515 OE1 GLN A 37 6.722 1.234 9.756 1.00 0.00 O ATOM 516 NE2 GLN A 37 8.537 0.045 9.173 1.00 0.00 N ATOM 0 H GLN A 37 3.569 -0.731 7.067 1.00 0.00 H new ATOM 0 HA GLN A 37 5.034 -2.868 8.435 1.00 0.00 H new ATOM 0 HB2 GLN A 37 4.715 0.048 8.591 1.00 0.00 H new ATOM 0 HB3 GLN A 37 4.497 -0.707 10.157 1.00 0.00 H new ATOM 0 HG2 GLN A 37 6.620 -1.764 10.096 1.00 0.00 H new ATOM 0 HG3 GLN A 37 6.748 -1.622 8.354 1.00 0.00 H new ATOM 0 HE21 GLN A 37 8.920 -0.859 8.895 1.00 0.00 H new ATOM 0 HE22 GLN A 37 9.152 0.854 9.263 1.00 0.00 H new ATOM 525 N ARG A 38 1.936 -2.688 8.687 1.00 0.00 N ATOM 526 CA ARG A 38 0.736 -3.242 9.303 1.00 0.00 C ATOM 527 C ARG A 38 0.253 -4.463 8.519 1.00 0.00 C ATOM 528 O ARG A 38 -0.749 -5.075 8.882 1.00 0.00 O ATOM 529 CB ARG A 38 -0.385 -2.193 9.330 1.00 0.00 C ATOM 530 CG ARG A 38 0.090 -0.736 9.327 1.00 0.00 C ATOM 531 CD ARG A 38 0.902 -0.382 10.575 1.00 0.00 C ATOM 532 NE ARG A 38 0.099 -0.528 11.795 1.00 0.00 N ATOM 533 CZ ARG A 38 0.611 -0.617 13.026 1.00 0.00 C ATOM 534 NH1 ARG A 38 1.926 -0.576 13.220 1.00 0.00 N ATOM 535 NH2 ARG A 38 -0.199 -0.747 14.073 1.00 0.00 N ATOM 0 H ARG A 38 1.780 -2.328 7.746 1.00 0.00 H new ATOM 0 HA ARG A 38 0.984 -3.536 10.323 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -1.030 -2.351 8.466 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -0.995 -2.358 10.218 1.00 0.00 H new ATOM 0 HG2 ARG A 38 0.697 -0.557 8.440 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -0.775 -0.075 9.260 1.00 0.00 H new ATOM 0 HD2 ARG A 38 1.779 -1.027 10.635 1.00 0.00 H new ATOM 0 HD3 ARG A 38 1.265 0.643 10.497 1.00 0.00 H new ATOM 0 HE ARG A 38 -0.916 -0.564 11.697 1.00 0.00 H new ATOM 0 HH11 ARG A 38 2.556 -0.476 12.424 1.00 0.00 H new ATOM 0 HH12 ARG A 38 2.305 -0.645 14.165 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -1.209 -0.779 13.935 1.00 0.00 H new ATOM 0 HH22 ARG A 38 0.190 -0.815 15.013 1.00 0.00 H new ATOM 549 N ASN A 39 0.968 -4.807 7.438 1.00 0.00 N ATOM 550 CA ASN A 39 0.496 -5.762 6.452 1.00 0.00 C ATOM 551 C ASN A 39 1.596 -6.715 5.982 1.00 0.00 C ATOM 552 O ASN A 39 1.591 -7.145 4.829 1.00 0.00 O ATOM 553 CB ASN A 39 -0.098 -4.960 5.291 1.00 0.00 C ATOM 554 CG ASN A 39 -1.215 -4.052 5.788 1.00 0.00 C ATOM 555 OD1 ASN A 39 -2.333 -4.497 6.027 1.00 0.00 O ATOM 556 ND2 ASN A 39 -0.901 -2.771 5.945 1.00 0.00 N ATOM 0 H ASN A 39 1.891 -4.424 7.232 1.00 0.00 H new ATOM 0 HA ASN A 39 -0.261 -6.407 6.898 1.00 0.00 H new ATOM 0 HB2 ASN A 39 0.681 -4.363 4.818 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -0.484 -5.640 4.531 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -1.604 -2.111 6.278 1.00 0.00 H new ATOM 0 HD22 ASN A 39 0.043 -2.448 5.733 1.00 0.00 H new ATOM 563 N HIS A 40 2.535 -7.043 6.875 1.00 0.00 N ATOM 564 CA HIS A 40 3.595 -8.008 6.607 1.00 0.00 C ATOM 565 C HIS A 40 4.426 -7.650 5.377 1.00 0.00 C ATOM 566 O HIS A 40 4.987 -8.532 4.729 1.00 0.00 O ATOM 567 CB HIS A 40 2.996 -9.415 6.532 1.00 0.00 C ATOM 568 CG HIS A 40 1.946 -9.650 7.583 1.00 0.00 C ATOM 569 ND1 HIS A 40 2.129 -9.506 8.960 1.00 0.00 N ATOM 570 CD2 HIS A 40 0.655 -10.023 7.334 1.00 0.00 C ATOM 571 CE1 HIS A 40 0.936 -9.786 9.507 1.00 0.00 C ATOM 572 NE2 HIS A 40 0.036 -10.104 8.557 1.00 0.00 N ATOM 0 H HIS A 40 2.577 -6.640 7.811 1.00 0.00 H new ATOM 0 HA HIS A 40 4.303 -7.980 7.435 1.00 0.00 H new ATOM 0 HB2 HIS A 40 2.559 -9.568 5.545 1.00 0.00 H new ATOM 0 HB3 HIS A 40 3.791 -10.152 6.646 1.00 0.00 H new ATOM 0 HD2 HIS A 40 0.211 -10.215 6.369 1.00 0.00 H new ATOM 0 HE1 HIS A 40 0.726 -9.760 10.566 1.00 0.00 H new ATOM 0 HE2 HIS A 40 -0.938 -10.361 8.718 1.00 0.00 H new ATOM 580 N TRP A 41 4.498 -6.355 5.066 1.00 0.00 N ATOM 581 CA TRP A 41 5.241 -5.830 3.933 1.00 0.00 C ATOM 582 C TRP A 41 4.842 -6.443 2.590 1.00 0.00 C ATOM 583 O TRP A 41 5.649 -6.496 1.660 1.00 0.00 O ATOM 584 CB TRP A 41 6.738 -5.831 4.234 1.00 0.00 C ATOM 585 CG TRP A 41 7.128 -4.777 5.213 1.00 0.00 C ATOM 586 CD1 TRP A 41 7.024 -4.839 6.556 1.00 0.00 C ATOM 587 CD2 TRP A 41 7.671 -3.464 4.922 1.00 0.00 C ATOM 588 NE1 TRP A 41 7.414 -3.633 7.105 1.00 0.00 N ATOM 589 CE2 TRP A 41 7.779 -2.723 6.130 1.00 0.00 C ATOM 590 CE3 TRP A 41 8.037 -2.831 3.729 1.00 0.00 C ATOM 591 CZ2 TRP A 41 8.172 -1.377 6.139 1.00 0.00 C ATOM 592 CZ3 TRP A 41 8.483 -1.499 3.731 1.00 0.00 C ATOM 593 CH2 TRP A 41 8.551 -0.776 4.929 1.00 0.00 C ATOM 0 H TRP A 41 4.029 -5.631 5.610 1.00 0.00 H new ATOM 0 HA TRP A 41 4.956 -4.787 3.798 1.00 0.00 H new ATOM 0 HB2 TRP A 41 7.026 -6.808 4.624 1.00 0.00 H new ATOM 0 HB3 TRP A 41 7.291 -5.682 3.307 1.00 0.00 H new ATOM 0 HD1 TRP A 41 6.688 -5.699 7.116 1.00 0.00 H new ATOM 0 HE1 TRP A 41 7.431 -3.438 8.106 1.00 0.00 H new ATOM 0 HE3 TRP A 41 7.976 -3.372 2.797 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 8.183 -0.813 7.060 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 8.775 -1.029 2.803 1.00 0.00 H new ATOM 0 HH2 TRP A 41 8.896 0.247 4.921 1.00 0.00 H new ATOM 604 N ASN A 42 3.592 -6.906 2.480 1.00 0.00 N ATOM 605 CA ASN A 42 3.025 -7.312 1.208 1.00 0.00 C ATOM 606 C ASN A 42 2.322 -6.114 0.579 1.00 0.00 C ATOM 607 O ASN A 42 1.453 -5.513 1.206 1.00 0.00 O ATOM 608 CB ASN A 42 2.016 -8.444 1.417 1.00 0.00 C ATOM 609 CG ASN A 42 2.686 -9.806 1.489 1.00 0.00 C ATOM 610 OD1 ASN A 42 3.889 -9.924 1.700 1.00 0.00 O ATOM 611 ND2 ASN A 42 1.894 -10.856 1.309 1.00 0.00 N ATOM 0 H ASN A 42 2.955 -7.006 3.271 1.00 0.00 H new ATOM 0 HA ASN A 42 3.820 -7.668 0.553 1.00 0.00 H new ATOM 0 HB2 ASN A 42 1.459 -8.266 2.337 1.00 0.00 H new ATOM 0 HB3 ASN A 42 1.294 -8.439 0.601 1.00 0.00 H new ATOM 0 HD21 ASN A 42 2.281 -11.799 1.344 1.00 0.00 H new ATOM 0 HD22 ASN A 42 0.898 -10.720 1.136 1.00 0.00 H new ATOM 618 N ILE A 43 2.681 -5.762 -0.656 1.00 0.00 N ATOM 619 CA ILE A 43 1.990 -4.687 -1.357 1.00 0.00 C ATOM 620 C ILE A 43 0.575 -5.130 -1.707 1.00 0.00 C ATOM 621 O ILE A 43 -0.289 -4.297 -1.973 1.00 0.00 O ATOM 622 CB ILE A 43 2.807 -4.248 -2.581 1.00 0.00 C ATOM 623 CG1 ILE A 43 3.852 -3.212 -2.137 1.00 0.00 C ATOM 624 CG2 ILE A 43 1.930 -3.643 -3.686 1.00 0.00 C ATOM 625 CD1 ILE A 43 3.215 -1.882 -1.785 1.00 0.00 C ATOM 0 H ILE A 43 3.436 -6.200 -1.183 1.00 0.00 H new ATOM 0 HA ILE A 43 1.899 -3.812 -0.714 1.00 0.00 H new ATOM 0 HB ILE A 43 3.287 -5.134 -2.996 1.00 0.00 H new ATOM 0 HG12 ILE A 43 4.397 -3.593 -1.274 1.00 0.00 H new ATOM 0 HG13 ILE A 43 4.580 -3.066 -2.935 1.00 0.00 H new ATOM 0 HG21 ILE A 43 2.557 -3.349 -4.528 1.00 0.00 H new ATOM 0 HG22 ILE A 43 1.200 -4.382 -4.017 1.00 0.00 H new ATOM 0 HG23 ILE A 43 1.409 -2.767 -3.299 1.00 0.00 H new ATOM 0 HD11 ILE A 43 3.988 -1.179 -1.476 1.00 0.00 H new ATOM 0 HD12 ILE A 43 2.692 -1.487 -2.656 1.00 0.00 H new ATOM 0 HD13 ILE A 43 2.506 -2.023 -0.969 1.00 0.00 H new ATOM 637 N ASN A 44 0.320 -6.440 -1.708 1.00 0.00 N ATOM 638 CA ASN A 44 -0.998 -6.939 -2.066 1.00 0.00 C ATOM 639 C ASN A 44 -1.938 -6.938 -0.867 1.00 0.00 C ATOM 640 O ASN A 44 -3.128 -7.197 -1.018 1.00 0.00 O ATOM 641 CB ASN A 44 -0.858 -8.336 -2.670 1.00 0.00 C ATOM 642 CG ASN A 44 -0.018 -8.325 -3.941 1.00 0.00 C ATOM 643 OD1 ASN A 44 0.092 -7.310 -4.623 1.00 0.00 O ATOM 644 ND2 ASN A 44 0.582 -9.464 -4.269 1.00 0.00 N ATOM 0 H ASN A 44 1.001 -7.161 -1.468 1.00 0.00 H new ATOM 0 HA ASN A 44 -1.441 -6.275 -2.808 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -0.401 -9.003 -1.939 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -1.847 -8.736 -2.892 1.00 0.00 H new ATOM 0 HD21 ASN A 44 1.156 -9.514 -5.111 1.00 0.00 H new ATOM 0 HD22 ASN A 44 0.469 -10.288 -3.679 1.00 0.00 H new ATOM 651 N TYR A 45 -1.394 -6.646 0.318 1.00 0.00 N ATOM 652 CA TYR A 45 -2.130 -6.562 1.568 1.00 0.00 C ATOM 653 C TYR A 45 -2.104 -5.133 2.108 1.00 0.00 C ATOM 654 O TYR A 45 -2.952 -4.761 2.914 1.00 0.00 O ATOM 655 CB TYR A 45 -1.448 -7.514 2.558 1.00 0.00 C ATOM 656 CG TYR A 45 -1.559 -8.997 2.270 1.00 0.00 C ATOM 657 CD1 TYR A 45 -2.420 -9.495 1.281 1.00 0.00 C ATOM 658 CD2 TYR A 45 -0.777 -9.890 3.021 1.00 0.00 C ATOM 659 CE1 TYR A 45 -2.503 -10.876 1.040 1.00 0.00 C ATOM 660 CE2 TYR A 45 -0.856 -11.271 2.790 1.00 0.00 C ATOM 661 CZ TYR A 45 -1.719 -11.770 1.796 1.00 0.00 C ATOM 662 OH TYR A 45 -1.795 -13.111 1.560 1.00 0.00 O ATOM 0 H TYR A 45 -0.398 -6.457 0.430 1.00 0.00 H new ATOM 0 HA TYR A 45 -3.174 -6.839 1.418 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -0.390 -7.255 2.603 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -1.864 -7.329 3.548 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -3.023 -8.812 0.701 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -0.110 -9.511 3.781 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -3.167 -11.252 0.276 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -0.255 -11.952 3.375 1.00 0.00 H new ATOM 0 HH TYR A 45 -1.189 -13.585 2.167 1.00 0.00 H new ATOM 672 N ALA A 46 -1.132 -4.330 1.662 1.00 0.00 N ATOM 673 CA ALA A 46 -0.922 -2.980 2.152 1.00 0.00 C ATOM 674 C ALA A 46 -1.688 -1.932 1.353 1.00 0.00 C ATOM 675 O ALA A 46 -2.046 -0.889 1.898 1.00 0.00 O ATOM 676 CB ALA A 46 0.572 -2.697 2.069 1.00 0.00 C ATOM 0 H ALA A 46 -0.466 -4.611 0.942 1.00 0.00 H new ATOM 0 HA ALA A 46 -1.295 -2.917 3.174 1.00 0.00 H new ATOM 0 HB1 ALA A 46 0.772 -1.688 2.430 1.00 0.00 H new ATOM 0 HB2 ALA A 46 1.113 -3.416 2.684 1.00 0.00 H new ATOM 0 HB3 ALA A 46 0.902 -2.784 1.034 1.00 0.00 H new ATOM 682 N LEU A 47 -1.951 -2.186 0.069 1.00 0.00 N ATOM 683 CA LEU A 47 -2.681 -1.222 -0.739 1.00 0.00 C ATOM 684 C LEU A 47 -4.141 -1.178 -0.310 1.00 0.00 C ATOM 685 O LEU A 47 -4.763 -0.122 -0.372 1.00 0.00 O ATOM 686 CB LEU A 47 -2.550 -1.588 -2.221 1.00 0.00 C ATOM 687 CG LEU A 47 -1.148 -1.319 -2.773 1.00 0.00 C ATOM 688 CD1 LEU A 47 -1.091 -1.795 -4.224 1.00 0.00 C ATOM 689 CD2 LEU A 47 -0.804 0.170 -2.735 1.00 0.00 C ATOM 0 H LEU A 47 -1.673 -3.036 -0.421 1.00 0.00 H new ATOM 0 HA LEU A 47 -2.258 -0.228 -0.591 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -2.792 -2.642 -2.354 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -3.279 -1.018 -2.798 1.00 0.00 H new ATOM 0 HG LEU A 47 -0.429 -1.854 -2.153 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -0.096 -1.609 -4.629 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -1.306 -2.863 -4.265 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -1.830 -1.253 -4.814 1.00 0.00 H new ATOM 0 HD21 LEU A 47 0.199 0.322 -3.135 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -1.523 0.725 -3.338 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -0.842 0.526 -1.706 1.00 0.00 H new ATOM 701 N ASN A 48 -4.696 -2.310 0.132 1.00 0.00 N ATOM 702 CA ASN A 48 -6.079 -2.381 0.581 1.00 0.00 C ATOM 703 C ASN A 48 -6.241 -1.561 1.854 1.00 0.00 C ATOM 704 O ASN A 48 -7.265 -0.913 2.051 1.00 0.00 O ATOM 705 CB ASN A 48 -6.455 -3.839 0.853 1.00 0.00 C ATOM 706 CG ASN A 48 -5.965 -4.729 -0.267 1.00 0.00 C ATOM 707 OD1 ASN A 48 -6.678 -5.017 -1.223 1.00 0.00 O ATOM 708 ND2 ASN A 48 -4.718 -5.161 -0.131 1.00 0.00 N ATOM 0 H ASN A 48 -4.196 -3.198 0.187 1.00 0.00 H new ATOM 0 HA ASN A 48 -6.734 -1.980 -0.192 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -6.021 -4.162 1.799 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -7.537 -3.930 0.951 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -4.307 -5.765 -0.843 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -4.170 -4.890 0.686 1.00 0.00 H new ATOM 715 N ASP A 49 -5.217 -1.601 2.705 1.00 0.00 N ATOM 716 CA ASP A 49 -5.205 -0.839 3.945 1.00 0.00 C ATOM 717 C ASP A 49 -5.189 0.660 3.643 1.00 0.00 C ATOM 718 O ASP A 49 -5.732 1.460 4.402 1.00 0.00 O ATOM 719 CB ASP A 49 -3.962 -1.254 4.732 1.00 0.00 C ATOM 720 CG ASP A 49 -3.978 -0.800 6.190 1.00 0.00 C ATOM 721 OD1 ASP A 49 -5.074 -0.483 6.701 1.00 0.00 O ATOM 722 OD2 ASP A 49 -2.883 -0.772 6.792 1.00 0.00 O ATOM 0 H ASP A 49 -4.378 -2.161 2.552 1.00 0.00 H new ATOM 0 HA ASP A 49 -6.101 -1.042 4.532 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -3.868 -2.339 4.700 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -3.079 -0.843 4.243 1.00 0.00 H new ATOM 727 N TYR A 50 -4.570 1.039 2.523 1.00 0.00 N ATOM 728 CA TYR A 50 -4.537 2.422 2.073 1.00 0.00 C ATOM 729 C TYR A 50 -5.848 2.780 1.375 1.00 0.00 C ATOM 730 O TYR A 50 -6.301 3.919 1.452 1.00 0.00 O ATOM 731 CB TYR A 50 -3.340 2.594 1.140 1.00 0.00 C ATOM 732 CG TYR A 50 -3.146 4.001 0.632 1.00 0.00 C ATOM 733 CD1 TYR A 50 -2.355 4.910 1.353 1.00 0.00 C ATOM 734 CD2 TYR A 50 -3.758 4.395 -0.566 1.00 0.00 C ATOM 735 CE1 TYR A 50 -2.178 6.216 0.873 1.00 0.00 C ATOM 736 CE2 TYR A 50 -3.592 5.702 -1.048 1.00 0.00 C ATOM 737 CZ TYR A 50 -2.796 6.619 -0.329 1.00 0.00 C ATOM 738 OH TYR A 50 -2.634 7.889 -0.794 1.00 0.00 O ATOM 0 H TYR A 50 -4.079 0.392 1.906 1.00 0.00 H new ATOM 0 HA TYR A 50 -4.428 3.097 2.922 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -2.437 2.282 1.665 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -3.460 1.926 0.287 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -1.884 4.604 2.275 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -4.360 3.690 -1.120 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -1.567 6.915 1.425 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -4.072 6.005 -1.967 1.00 0.00 H new ATOM 0 HH TYR A 50 -3.128 7.995 -1.634 1.00 0.00 H new ATOM 748 N TYR A 51 -6.461 1.810 0.694 1.00 0.00 N ATOM 749 CA TYR A 51 -7.747 1.997 0.032 1.00 0.00 C ATOM 750 C TYR A 51 -8.902 1.953 1.033 1.00 0.00 C ATOM 751 O TYR A 51 -10.057 2.151 0.655 1.00 0.00 O ATOM 752 CB TYR A 51 -7.926 0.936 -1.054 1.00 0.00 C ATOM 753 CG TYR A 51 -6.870 0.980 -2.131 1.00 0.00 C ATOM 754 CD1 TYR A 51 -6.369 2.218 -2.561 1.00 0.00 C ATOM 755 CD2 TYR A 51 -6.384 -0.211 -2.696 1.00 0.00 C ATOM 756 CE1 TYR A 51 -5.383 2.276 -3.553 1.00 0.00 C ATOM 757 CE2 TYR A 51 -5.398 -0.160 -3.694 1.00 0.00 C ATOM 758 CZ TYR A 51 -4.896 1.083 -4.128 1.00 0.00 C ATOM 759 OH TYR A 51 -3.942 1.128 -5.100 1.00 0.00 O ATOM 0 H TYR A 51 -6.076 0.871 0.588 1.00 0.00 H new ATOM 0 HA TYR A 51 -7.758 2.984 -0.430 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -7.917 -0.050 -0.590 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -8.906 1.063 -1.514 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -6.746 3.131 -2.124 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -6.768 -1.164 -2.363 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -4.996 3.231 -3.877 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -5.024 -1.075 -4.130 1.00 0.00 H new ATOM 0 HH TYR A 51 -3.721 0.216 -5.384 1.00 0.00 H new ATOM 769 N ASP A 52 -8.600 1.698 2.307 1.00 0.00 N ATOM 770 CA ASP A 52 -9.582 1.691 3.376 1.00 0.00 C ATOM 771 C ASP A 52 -9.488 2.952 4.229 1.00 0.00 C ATOM 772 O ASP A 52 -10.481 3.376 4.814 1.00 0.00 O ATOM 773 CB ASP A 52 -9.296 0.493 4.280 1.00 0.00 C ATOM 774 CG ASP A 52 -9.708 -0.849 3.666 1.00 0.00 C ATOM 775 OD1 ASP A 52 -10.514 -0.838 2.709 1.00 0.00 O ATOM 776 OD2 ASP A 52 -9.212 -1.881 4.169 1.00 0.00 O ATOM 0 H ASP A 52 -7.653 1.489 2.622 1.00 0.00 H new ATOM 0 HA ASP A 52 -10.576 1.640 2.931 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -8.231 0.467 4.509 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -9.822 0.628 5.225 1.00 0.00 H new ATOM 781 N LYS A 53 -8.295 3.554 4.300 1.00 0.00 N ATOM 782 CA LYS A 53 -8.020 4.627 5.250 1.00 0.00 C ATOM 783 C LYS A 53 -7.441 5.890 4.610 1.00 0.00 C ATOM 784 O LYS A 53 -7.281 6.895 5.299 1.00 0.00 O ATOM 785 CB LYS A 53 -7.083 4.055 6.312 1.00 0.00 C ATOM 786 CG LYS A 53 -7.885 3.188 7.283 1.00 0.00 C ATOM 787 CD LYS A 53 -7.042 2.025 7.791 1.00 0.00 C ATOM 788 CE LYS A 53 -5.718 2.492 8.392 1.00 0.00 C ATOM 789 NZ LYS A 53 -4.907 1.342 8.831 1.00 0.00 N ATOM 0 H LYS A 53 -7.503 3.311 3.705 1.00 0.00 H new ATOM 0 HA LYS A 53 -8.961 4.960 5.688 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -6.299 3.462 5.840 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -6.590 4.864 6.851 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -8.223 3.793 8.124 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -8.777 2.807 6.786 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -7.605 1.471 8.542 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -6.844 1.336 6.970 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -5.164 3.073 7.655 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -5.910 3.151 9.238 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -3.917 1.639 8.948 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -5.271 0.987 9.738 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -4.960 0.587 8.117 1.00 0.00 H new ATOM 803 N GLU A 54 -7.128 5.858 3.314 1.00 0.00 N ATOM 804 CA GLU A 54 -6.571 7.011 2.607 1.00 0.00 C ATOM 805 C GLU A 54 -7.207 7.172 1.225 1.00 0.00 C ATOM 806 O GLU A 54 -6.726 7.960 0.413 1.00 0.00 O ATOM 807 CB GLU A 54 -5.054 6.866 2.452 1.00 0.00 C ATOM 808 CG GLU A 54 -4.319 6.753 3.789 1.00 0.00 C ATOM 809 CD GLU A 54 -4.425 8.018 4.642 1.00 0.00 C ATOM 810 OE1 GLU A 54 -4.731 9.096 4.080 1.00 0.00 O ATOM 811 OE2 GLU A 54 -4.195 7.901 5.868 1.00 0.00 O ATOM 0 H GLU A 54 -7.253 5.034 2.726 1.00 0.00 H new ATOM 0 HA GLU A 54 -6.792 7.898 3.201 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -4.840 5.982 1.851 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -4.668 7.725 1.904 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -4.724 5.910 4.349 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -3.267 6.536 3.601 1.00 0.00 H new ATOM 818 N ILE A 55 -8.286 6.432 0.949 1.00 0.00 N ATOM 819 CA ILE A 55 -8.927 6.454 -0.355 1.00 0.00 C ATOM 820 C ILE A 55 -9.529 7.831 -0.642 1.00 0.00 C ATOM 821 O ILE A 55 -10.021 8.504 0.262 1.00 0.00 O ATOM 822 CB ILE A 55 -9.956 5.322 -0.435 1.00 0.00 C ATOM 823 CG1 ILE A 55 -10.528 5.248 -1.853 1.00 0.00 C ATOM 824 CG2 ILE A 55 -11.063 5.503 0.609 1.00 0.00 C ATOM 825 CD1 ILE A 55 -11.411 4.012 -2.045 1.00 0.00 C ATOM 0 H ILE A 55 -8.731 5.808 1.622 1.00 0.00 H new ATOM 0 HA ILE A 55 -8.186 6.281 -1.136 1.00 0.00 H new ATOM 0 HB ILE A 55 -9.460 4.378 -0.210 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -11.110 6.146 -2.058 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -9.711 5.227 -2.574 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -11.778 4.684 0.527 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -10.625 5.504 1.607 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -11.575 6.450 0.436 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -11.798 3.996 -3.064 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -10.822 3.113 -1.866 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -12.243 4.046 -1.342 1.00 0.00 H new ATOM 837 N GLY A 56 -9.490 8.249 -1.913 1.00 0.00 N ATOM 838 CA GLY A 56 -9.941 9.570 -2.333 1.00 0.00 C ATOM 839 C GLY A 56 -11.437 9.647 -2.631 1.00 0.00 C ATOM 840 O GLY A 56 -11.919 10.694 -3.063 1.00 0.00 O ATOM 0 H GLY A 56 -9.142 7.673 -2.679 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -9.698 10.291 -1.553 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -9.387 9.866 -3.224 1.00 0.00 H new ATOM 844 N THR A 57 -12.179 8.561 -2.407 1.00 0.00 N ATOM 845 CA THR A 57 -13.600 8.498 -2.721 1.00 0.00 C ATOM 846 C THR A 57 -14.291 7.495 -1.801 1.00 0.00 C ATOM 847 O THR A 57 -13.625 6.710 -1.128 1.00 0.00 O ATOM 848 CB THR A 57 -13.787 8.126 -4.196 1.00 0.00 C ATOM 849 OG1 THR A 57 -15.149 8.236 -4.545 1.00 0.00 O ATOM 850 CG2 THR A 57 -13.312 6.702 -4.486 1.00 0.00 C ATOM 0 H THR A 57 -11.807 7.702 -2.002 1.00 0.00 H new ATOM 0 HA THR A 57 -14.057 9.474 -2.557 1.00 0.00 H new ATOM 0 HB THR A 57 -13.185 8.815 -4.789 1.00 0.00 H new ATOM 0 HG1 THR A 57 -15.265 7.999 -5.489 1.00 0.00 H new ATOM 0 HG21 THR A 57 -13.461 6.477 -5.542 1.00 0.00 H new ATOM 0 HG22 THR A 57 -12.253 6.615 -4.243 1.00 0.00 H new ATOM 0 HG23 THR A 57 -13.882 5.998 -3.880 1.00 0.00 H new ATOM 858 N PHE A 58 -15.625 7.518 -1.767 1.00 0.00 N ATOM 859 CA PHE A 58 -16.389 6.645 -0.885 1.00 0.00 C ATOM 860 C PHE A 58 -17.626 6.055 -1.564 1.00 0.00 C ATOM 861 O PHE A 58 -18.358 5.268 -0.962 1.00 0.00 O ATOM 862 CB PHE A 58 -16.763 7.449 0.353 1.00 0.00 C ATOM 863 CG PHE A 58 -17.239 6.574 1.479 1.00 0.00 C ATOM 864 CD1 PHE A 58 -16.301 5.877 2.253 1.00 0.00 C ATOM 865 CD2 PHE A 58 -18.608 6.453 1.741 1.00 0.00 C ATOM 866 CE1 PHE A 58 -16.735 5.056 3.300 1.00 0.00 C ATOM 867 CE2 PHE A 58 -19.040 5.635 2.794 1.00 0.00 C ATOM 868 CZ PHE A 58 -18.104 4.942 3.577 1.00 0.00 C ATOM 0 H PHE A 58 -16.197 8.135 -2.344 1.00 0.00 H new ATOM 0 HA PHE A 58 -15.775 5.787 -0.612 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -15.899 8.025 0.684 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -17.544 8.165 0.097 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -15.246 5.973 2.042 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -19.327 6.986 1.136 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -16.016 4.511 3.894 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -20.095 5.538 3.003 1.00 0.00 H new ATOM 0 HZ PHE A 58 -18.439 4.320 4.394 1.00 0.00 H new ATOM 878 N THR A 59 -17.859 6.435 -2.819 1.00 0.00 N ATOM 879 CA THR A 59 -19.002 5.997 -3.605 1.00 0.00 C ATOM 880 C THR A 59 -18.567 5.589 -5.009 1.00 0.00 C ATOM 881 O THR A 59 -17.446 5.870 -5.429 1.00 0.00 O ATOM 882 CB THR A 59 -20.055 7.105 -3.674 1.00 0.00 C ATOM 883 OG1 THR A 59 -19.502 8.270 -4.248 1.00 0.00 O ATOM 884 CG2 THR A 59 -20.582 7.440 -2.280 1.00 0.00 C ATOM 0 H THR A 59 -17.242 7.070 -3.325 1.00 0.00 H new ATOM 0 HA THR A 59 -19.441 5.127 -3.117 1.00 0.00 H new ATOM 0 HB THR A 59 -20.878 6.746 -4.291 1.00 0.00 H new ATOM 0 HG1 THR A 59 -20.186 8.971 -4.288 1.00 0.00 H new ATOM 0 HG21 THR A 59 -21.329 8.230 -2.354 1.00 0.00 H new ATOM 0 HG22 THR A 59 -21.035 6.552 -1.839 1.00 0.00 H new ATOM 0 HG23 THR A 59 -19.758 7.777 -1.651 1.00 0.00 H new ATOM 892 N ASP A 60 -19.467 4.919 -5.735 1.00 0.00 N ATOM 893 CA ASP A 60 -19.211 4.452 -7.090 1.00 0.00 C ATOM 894 C ASP A 60 -20.275 4.944 -8.073 1.00 0.00 C ATOM 895 O ASP A 60 -20.254 4.569 -9.246 1.00 0.00 O ATOM 896 CB ASP A 60 -19.100 2.925 -7.094 1.00 0.00 C ATOM 897 CG ASP A 60 -20.428 2.248 -6.753 1.00 0.00 C ATOM 898 OD1 ASP A 60 -20.823 2.310 -5.568 1.00 0.00 O ATOM 899 OD2 ASP A 60 -21.038 1.675 -7.684 1.00 0.00 O ATOM 0 H ASP A 60 -20.399 4.687 -5.391 1.00 0.00 H new ATOM 0 HA ASP A 60 -18.264 4.873 -7.428 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -18.765 2.589 -8.075 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -18.341 2.616 -6.375 1.00 0.00 H new ATOM 904 N GLU A 61 -21.200 5.780 -7.599 1.00 0.00 N ATOM 905 CA GLU A 61 -22.245 6.350 -8.430 1.00 0.00 C ATOM 906 C GLU A 61 -22.570 7.767 -7.956 1.00 0.00 C ATOM 907 O GLU A 61 -22.407 8.079 -6.775 1.00 0.00 O ATOM 908 CB GLU A 61 -23.475 5.441 -8.352 1.00 0.00 C ATOM 909 CG GLU A 61 -24.606 5.897 -9.270 1.00 0.00 C ATOM 910 CD GLU A 61 -24.186 5.870 -10.739 1.00 0.00 C ATOM 911 OE1 GLU A 61 -23.640 6.893 -11.209 1.00 0.00 O ATOM 912 OE2 GLU A 61 -24.418 4.822 -11.383 1.00 0.00 O ATOM 0 H GLU A 61 -21.240 6.078 -6.624 1.00 0.00 H new ATOM 0 HA GLU A 61 -21.916 6.416 -9.467 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -23.187 4.424 -8.616 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -23.836 5.413 -7.324 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -25.473 5.252 -9.127 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -24.912 6.907 -8.997 1.00 0.00 H new ATOM 919 N VAL A 62 -23.031 8.621 -8.875 1.00 0.00 N ATOM 920 CA VAL A 62 -23.371 10.013 -8.585 1.00 0.00 C ATOM 921 C VAL A 62 -24.674 10.389 -9.281 1.00 0.00 C ATOM 922 O VAL A 62 -24.679 10.408 -10.532 1.00 0.00 O ATOM 923 CB VAL A 62 -22.234 10.944 -9.018 1.00 0.00 C ATOM 924 CG1 VAL A 62 -22.579 12.390 -8.658 1.00 0.00 C ATOM 925 CG2 VAL A 62 -20.929 10.577 -8.307 1.00 0.00 C ATOM 0 H VAL A 62 -23.179 8.361 -9.850 1.00 0.00 H new ATOM 0 HA VAL A 62 -23.509 10.125 -7.510 1.00 0.00 H new ATOM 0 HB VAL A 62 -22.108 10.837 -10.095 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -21.766 13.046 -8.969 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -23.497 12.683 -9.168 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -22.720 12.473 -7.580 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -20.136 11.252 -8.630 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -21.064 10.666 -7.229 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -20.656 9.551 -8.554 1.00 0.00 H new TER 935 VAL A 62