USER MOD reduce.3.24.130724 H: found=0, std=0, add=458, rem=0, adj=15 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 -68:sc= 1.36 USER MOD Set 1.2: A 27 CYS SG : rot -67:sc= 0.175 USER MOD Set 2.1: A 22 THR OG1 : rot 91:sc= 1.25 USER MOD Set 2.2: A 32 SER OG : rot -81:sc= 1.15 USER MOD Set 3.1: A 12 SER OG : rot 170:sc= 0.651 USER MOD Set 3.2: A 15 GLN : amide:sc= -0.658 K(o=-0.007,f=0.61) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 73:sc= 1.26 USER MOD Single : A 26 LYS NZ :NH3+ -170:sc=-0.00943 (180deg=-0.123) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 TYR OH : rot -157:sc= 0.021 USER MOD Single : A 37 GLN : amide:sc= -0.601 X(o=-0.6,f=-0.89) USER MOD Single : A 39 ASN : amide:sc= -0.707 K(o=-0.71,f=-6.7!) USER MOD Single : A 40 HIS : no HD1:sc= -0.0167 X(o=-0.017,f=-0.017) USER MOD Single : A 42 ASN : amide:sc= 0 X(o=0,f=-0.03) USER MOD Single : A 44 ASN : amide:sc= 0 K(o=0,f=-0.68) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 ASN : amide:sc= -1.55! K(o=-1.5!,f=0.33) USER MOD Single : A 50 TYR OH : rot 150:sc= 0 USER MOD Single : A 51 TYR OH : rot 9:sc= 0.0982 USER MOD Single : A 53 LYS NZ :NH3+ -170:sc=-0.00592 (180deg=-0.139) USER MOD Single : A 57 THR OG1 : rot 165:sc= 0.964 USER MOD Single : A 59 THR OG1 : rot 180:sc= -0.0148 USER MOD ----------------------------------------------------------------- ATOM 1 N ILE A 6 21.508 -7.218 -7.388 1.00 0.00 N ATOM 2 CA ILE A 6 22.779 -7.268 -8.100 1.00 0.00 C ATOM 3 C ILE A 6 22.738 -6.393 -9.354 1.00 0.00 C ATOM 4 O ILE A 6 23.662 -6.434 -10.166 1.00 0.00 O ATOM 5 CB ILE A 6 23.159 -8.719 -8.427 1.00 0.00 C ATOM 6 CG1 ILE A 6 22.100 -9.372 -9.325 1.00 0.00 C ATOM 7 CG2 ILE A 6 23.345 -9.507 -7.129 1.00 0.00 C ATOM 8 CD1 ILE A 6 22.477 -10.802 -9.703 1.00 0.00 C ATOM 0 HA ILE A 6 23.556 -6.864 -7.451 1.00 0.00 H new ATOM 0 HB ILE A 6 24.100 -8.724 -8.976 1.00 0.00 H new ATOM 0 HG12 ILE A 6 21.139 -9.374 -8.811 1.00 0.00 H new ATOM 0 HG13 ILE A 6 21.976 -8.778 -10.230 1.00 0.00 H new ATOM 0 HG21 ILE A 6 23.615 -10.537 -7.364 1.00 0.00 H new ATOM 0 HG22 ILE A 6 24.138 -9.050 -6.537 1.00 0.00 H new ATOM 0 HG23 ILE A 6 22.415 -9.496 -6.560 1.00 0.00 H new ATOM 0 HD11 ILE A 6 21.700 -11.227 -10.339 1.00 0.00 H new ATOM 0 HD12 ILE A 6 23.425 -10.798 -10.241 1.00 0.00 H new ATOM 0 HD13 ILE A 6 22.575 -11.403 -8.799 1.00 0.00 H new ATOM 19 N LYS A 7 21.670 -5.606 -9.512 1.00 0.00 N ATOM 20 CA LYS A 7 21.500 -4.710 -10.655 1.00 0.00 C ATOM 21 C LYS A 7 21.264 -3.271 -10.202 1.00 0.00 C ATOM 22 O LYS A 7 21.041 -2.391 -11.032 1.00 0.00 O ATOM 23 CB LYS A 7 20.354 -5.203 -11.545 1.00 0.00 C ATOM 24 CG LYS A 7 20.635 -6.609 -12.074 1.00 0.00 C ATOM 25 CD LYS A 7 19.503 -7.048 -13.004 1.00 0.00 C ATOM 26 CE LYS A 7 19.774 -8.462 -13.517 1.00 0.00 C ATOM 27 NZ LYS A 7 18.697 -8.920 -14.415 1.00 0.00 N ATOM 0 H LYS A 7 20.897 -5.574 -8.847 1.00 0.00 H new ATOM 0 HA LYS A 7 22.421 -4.719 -11.238 1.00 0.00 H new ATOM 0 HB2 LYS A 7 19.423 -5.204 -10.978 1.00 0.00 H new ATOM 0 HB3 LYS A 7 20.217 -4.517 -12.381 1.00 0.00 H new ATOM 0 HG2 LYS A 7 21.584 -6.623 -12.610 1.00 0.00 H new ATOM 0 HG3 LYS A 7 20.727 -7.308 -11.243 1.00 0.00 H new ATOM 0 HD2 LYS A 7 18.552 -7.020 -12.473 1.00 0.00 H new ATOM 0 HD3 LYS A 7 19.420 -6.357 -13.843 1.00 0.00 H new ATOM 0 HE2 LYS A 7 20.726 -8.483 -14.047 1.00 0.00 H new ATOM 0 HE3 LYS A 7 19.863 -9.147 -12.674 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 18.908 -9.883 -14.748 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 17.793 -8.922 -13.900 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 18.629 -8.279 -15.231 1.00 0.00 H new ATOM 41 N ARG A 8 21.312 -3.032 -8.889 1.00 0.00 N ATOM 42 CA ARG A 8 21.133 -1.722 -8.285 1.00 0.00 C ATOM 43 C ARG A 8 22.156 -1.522 -7.171 1.00 0.00 C ATOM 44 O ARG A 8 22.728 -2.492 -6.671 1.00 0.00 O ATOM 45 CB ARG A 8 19.707 -1.611 -7.742 1.00 0.00 C ATOM 46 CG ARG A 8 18.674 -1.631 -8.858 1.00 0.00 C ATOM 47 CD ARG A 8 17.253 -1.448 -8.323 1.00 0.00 C ATOM 48 NE ARG A 8 17.057 -0.108 -7.754 1.00 0.00 N ATOM 49 CZ ARG A 8 15.884 0.344 -7.298 1.00 0.00 C ATOM 50 NH1 ARG A 8 14.799 -0.420 -7.331 1.00 0.00 N ATOM 51 NH2 ARG A 8 15.793 1.574 -6.802 1.00 0.00 N ATOM 0 H ARG A 8 21.481 -3.768 -8.204 1.00 0.00 H new ATOM 0 HA ARG A 8 21.287 -0.944 -9.032 1.00 0.00 H new ATOM 0 HB2 ARG A 8 19.515 -2.435 -7.054 1.00 0.00 H new ATOM 0 HB3 ARG A 8 19.607 -0.688 -7.170 1.00 0.00 H new ATOM 0 HG2 ARG A 8 18.897 -0.840 -9.574 1.00 0.00 H new ATOM 0 HG3 ARG A 8 18.740 -2.576 -9.397 1.00 0.00 H new ATOM 0 HD2 ARG A 8 16.537 -1.610 -9.129 1.00 0.00 H new ATOM 0 HD3 ARG A 8 17.051 -2.201 -7.561 1.00 0.00 H new ATOM 0 HE ARG A 8 17.863 0.515 -7.704 1.00 0.00 H new ATOM 0 HH11 ARG A 8 14.853 -1.366 -7.708 1.00 0.00 H new ATOM 0 HH12 ARG A 8 13.911 -0.061 -6.979 1.00 0.00 H new ATOM 0 HH21 ARG A 8 16.618 2.173 -6.769 1.00 0.00 H new ATOM 0 HH22 ARG A 8 14.898 1.919 -6.454 1.00 0.00 H new ATOM 65 N LYS A 9 22.386 -0.265 -6.781 1.00 0.00 N ATOM 66 CA LYS A 9 23.344 0.083 -5.734 1.00 0.00 C ATOM 67 C LYS A 9 22.770 1.098 -4.747 1.00 0.00 C ATOM 68 O LYS A 9 23.511 1.706 -3.979 1.00 0.00 O ATOM 69 CB LYS A 9 24.674 0.527 -6.358 1.00 0.00 C ATOM 70 CG LYS A 9 24.546 1.603 -7.446 1.00 0.00 C ATOM 71 CD LYS A 9 23.975 2.923 -6.926 1.00 0.00 C ATOM 72 CE LYS A 9 24.041 3.978 -8.032 1.00 0.00 C ATOM 73 NZ LYS A 9 23.514 5.273 -7.563 1.00 0.00 N ATOM 0 H LYS A 9 21.910 0.541 -7.186 1.00 0.00 H new ATOM 0 HA LYS A 9 23.549 -0.808 -5.140 1.00 0.00 H new ATOM 0 HB2 LYS A 9 25.322 0.905 -5.567 1.00 0.00 H new ATOM 0 HB3 LYS A 9 25.168 -0.345 -6.786 1.00 0.00 H new ATOM 0 HG2 LYS A 9 25.527 1.787 -7.883 1.00 0.00 H new ATOM 0 HG3 LYS A 9 23.906 1.228 -8.245 1.00 0.00 H new ATOM 0 HD2 LYS A 9 22.943 2.783 -6.603 1.00 0.00 H new ATOM 0 HD3 LYS A 9 24.539 3.258 -6.055 1.00 0.00 H new ATOM 0 HE2 LYS A 9 25.073 4.100 -8.362 1.00 0.00 H new ATOM 0 HE3 LYS A 9 23.468 3.640 -8.896 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 23.571 5.970 -8.333 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 22.522 5.159 -7.271 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 24.077 5.604 -6.754 1.00 0.00 H new ATOM 87 N ASP A 10 21.446 1.280 -4.769 1.00 0.00 N ATOM 88 CA ASP A 10 20.758 2.206 -3.880 1.00 0.00 C ATOM 89 C ASP A 10 19.417 1.628 -3.422 1.00 0.00 C ATOM 90 O ASP A 10 18.546 2.350 -2.938 1.00 0.00 O ATOM 91 CB ASP A 10 20.577 3.544 -4.601 1.00 0.00 C ATOM 92 CG ASP A 10 20.107 4.648 -3.658 1.00 0.00 C ATOM 93 OD1 ASP A 10 20.711 4.780 -2.569 1.00 0.00 O ATOM 94 OD2 ASP A 10 19.144 5.357 -4.031 1.00 0.00 O ATOM 0 H ASP A 10 20.824 0.785 -5.408 1.00 0.00 H new ATOM 0 HA ASP A 10 21.357 2.366 -2.983 1.00 0.00 H new ATOM 0 HB2 ASP A 10 21.521 3.838 -5.060 1.00 0.00 H new ATOM 0 HB3 ASP A 10 19.854 3.425 -5.408 1.00 0.00 H new ATOM 99 N ALA A 11 19.257 0.312 -3.581 1.00 0.00 N ATOM 100 CA ALA A 11 18.015 -0.375 -3.274 1.00 0.00 C ATOM 101 C ALA A 11 18.011 -0.935 -1.852 1.00 0.00 C ATOM 102 O ALA A 11 19.057 -1.072 -1.219 1.00 0.00 O ATOM 103 CB ALA A 11 17.796 -1.477 -4.309 1.00 0.00 C ATOM 0 H ALA A 11 19.993 -0.303 -3.928 1.00 0.00 H new ATOM 0 HA ALA A 11 17.192 0.338 -3.322 1.00 0.00 H new ATOM 0 HB1 ALA A 11 16.866 -2.002 -4.091 1.00 0.00 H new ATOM 0 HB2 ALA A 11 17.738 -1.035 -5.304 1.00 0.00 H new ATOM 0 HB3 ALA A 11 18.627 -2.181 -4.272 1.00 0.00 H new ATOM 109 N SER A 12 16.812 -1.258 -1.363 1.00 0.00 N ATOM 110 CA SER A 12 16.610 -1.823 -0.036 1.00 0.00 C ATOM 111 C SER A 12 15.352 -2.692 -0.062 1.00 0.00 C ATOM 112 O SER A 12 14.600 -2.634 -1.032 1.00 0.00 O ATOM 113 CB SER A 12 16.489 -0.688 0.982 1.00 0.00 C ATOM 114 OG SER A 12 15.137 -0.360 1.230 1.00 0.00 O ATOM 0 H SER A 12 15.946 -1.131 -1.887 1.00 0.00 H new ATOM 0 HA SER A 12 17.456 -2.446 0.255 1.00 0.00 H new ATOM 0 HB2 SER A 12 16.971 -0.981 1.915 1.00 0.00 H new ATOM 0 HB3 SER A 12 17.017 0.192 0.613 1.00 0.00 H new ATOM 0 HG SER A 12 15.083 0.250 1.995 1.00 0.00 H new ATOM 120 N PRO A 13 15.097 -3.497 0.974 1.00 0.00 N ATOM 121 CA PRO A 13 13.968 -4.410 1.003 1.00 0.00 C ATOM 122 C PRO A 13 12.676 -3.623 1.130 1.00 0.00 C ATOM 123 O PRO A 13 11.622 -4.057 0.669 1.00 0.00 O ATOM 124 CB PRO A 13 14.187 -5.234 2.269 1.00 0.00 C ATOM 125 CG PRO A 13 14.892 -4.232 3.189 1.00 0.00 C ATOM 126 CD PRO A 13 15.852 -3.561 2.209 1.00 0.00 C ATOM 0 HA PRO A 13 13.898 -5.022 0.103 1.00 0.00 H new ATOM 0 HB2 PRO A 13 13.247 -5.585 2.694 1.00 0.00 H new ATOM 0 HB3 PRO A 13 14.800 -6.115 2.080 1.00 0.00 H new ATOM 0 HG2 PRO A 13 14.196 -3.522 3.636 1.00 0.00 H new ATOM 0 HG3 PRO A 13 15.416 -4.723 4.009 1.00 0.00 H new ATOM 0 HD2 PRO A 13 16.144 -2.568 2.551 1.00 0.00 H new ATOM 0 HD3 PRO A 13 16.768 -4.139 2.088 1.00 0.00 H new ATOM 134 N GLU A 14 12.773 -2.456 1.762 1.00 0.00 N ATOM 135 CA GLU A 14 11.656 -1.553 1.915 1.00 0.00 C ATOM 136 C GLU A 14 11.426 -0.841 0.586 1.00 0.00 C ATOM 137 O GLU A 14 10.293 -0.534 0.237 1.00 0.00 O ATOM 138 CB GLU A 14 11.989 -0.554 3.023 1.00 0.00 C ATOM 139 CG GLU A 14 12.067 -1.220 4.396 1.00 0.00 C ATOM 140 CD GLU A 14 12.448 -0.212 5.476 1.00 0.00 C ATOM 141 OE1 GLU A 14 11.602 0.656 5.790 1.00 0.00 O ATOM 142 OE2 GLU A 14 13.589 -0.312 5.985 1.00 0.00 O ATOM 0 H GLU A 14 13.638 -2.116 2.182 1.00 0.00 H new ATOM 0 HA GLU A 14 10.747 -2.089 2.188 1.00 0.00 H new ATOM 0 HB2 GLU A 14 12.941 -0.071 2.801 1.00 0.00 H new ATOM 0 HB3 GLU A 14 11.231 0.229 3.043 1.00 0.00 H new ATOM 0 HG2 GLU A 14 11.105 -1.672 4.639 1.00 0.00 H new ATOM 0 HG3 GLU A 14 12.801 -2.026 4.371 1.00 0.00 H new ATOM 149 N GLN A 15 12.503 -0.582 -0.162 1.00 0.00 N ATOM 150 CA GLN A 15 12.422 0.114 -1.439 1.00 0.00 C ATOM 151 C GLN A 15 11.769 -0.765 -2.489 1.00 0.00 C ATOM 152 O GLN A 15 11.125 -0.272 -3.409 1.00 0.00 O ATOM 153 CB GLN A 15 13.838 0.498 -1.882 1.00 0.00 C ATOM 154 CG GLN A 15 13.908 2.006 -2.070 1.00 0.00 C ATOM 155 CD GLN A 15 13.430 2.701 -0.801 1.00 0.00 C ATOM 156 OE1 GLN A 15 12.713 3.696 -0.854 1.00 0.00 O ATOM 157 NE2 GLN A 15 13.831 2.167 0.351 1.00 0.00 N ATOM 0 H GLN A 15 13.450 -0.850 0.104 1.00 0.00 H new ATOM 0 HA GLN A 15 11.812 1.010 -1.323 1.00 0.00 H new ATOM 0 HB2 GLN A 15 14.565 0.178 -1.136 1.00 0.00 H new ATOM 0 HB3 GLN A 15 14.092 -0.009 -2.813 1.00 0.00 H new ATOM 0 HG2 GLN A 15 14.930 2.307 -2.299 1.00 0.00 H new ATOM 0 HG3 GLN A 15 13.290 2.306 -2.916 1.00 0.00 H new ATOM 0 HE21 GLN A 15 14.427 1.339 0.349 1.00 0.00 H new ATOM 0 HE22 GLN A 15 13.542 2.586 1.235 1.00 0.00 H new ATOM 166 N GLU A 16 11.938 -2.075 -2.345 1.00 0.00 N ATOM 167 CA GLU A 16 11.368 -3.011 -3.304 1.00 0.00 C ATOM 168 C GLU A 16 9.860 -3.145 -3.120 1.00 0.00 C ATOM 169 O GLU A 16 9.180 -3.714 -3.972 1.00 0.00 O ATOM 170 CB GLU A 16 12.045 -4.378 -3.183 1.00 0.00 C ATOM 171 CG GLU A 16 13.480 -4.301 -3.691 1.00 0.00 C ATOM 172 CD GLU A 16 14.126 -5.684 -3.716 1.00 0.00 C ATOM 173 OE1 GLU A 16 14.732 -6.061 -2.687 1.00 0.00 O ATOM 174 OE2 GLU A 16 14.013 -6.359 -4.765 1.00 0.00 O ATOM 0 H GLU A 16 12.459 -2.508 -1.582 1.00 0.00 H new ATOM 0 HA GLU A 16 11.549 -2.617 -4.304 1.00 0.00 H new ATOM 0 HB2 GLU A 16 12.037 -4.705 -2.143 1.00 0.00 H new ATOM 0 HB3 GLU A 16 11.488 -5.120 -3.755 1.00 0.00 H new ATOM 0 HG2 GLU A 16 13.492 -3.872 -4.693 1.00 0.00 H new ATOM 0 HG3 GLU A 16 14.061 -3.636 -3.052 1.00 0.00 H new ATOM 181 N ALA A 17 9.341 -2.621 -2.011 1.00 0.00 N ATOM 182 CA ALA A 17 7.909 -2.609 -1.750 1.00 0.00 C ATOM 183 C ALA A 17 7.342 -1.188 -1.753 1.00 0.00 C ATOM 184 O ALA A 17 6.157 -1.004 -2.020 1.00 0.00 O ATOM 185 CB ALA A 17 7.656 -3.301 -0.412 1.00 0.00 C ATOM 0 H ALA A 17 9.902 -2.195 -1.273 1.00 0.00 H new ATOM 0 HA ALA A 17 7.395 -3.146 -2.548 1.00 0.00 H new ATOM 0 HB1 ALA A 17 6.587 -3.302 -0.199 1.00 0.00 H new ATOM 0 HB2 ALA A 17 8.017 -4.328 -0.460 1.00 0.00 H new ATOM 0 HB3 ALA A 17 8.183 -2.767 0.379 1.00 0.00 H new ATOM 191 N ILE A 18 8.173 -0.184 -1.460 1.00 0.00 N ATOM 192 CA ILE A 18 7.746 1.207 -1.418 1.00 0.00 C ATOM 193 C ILE A 18 7.698 1.797 -2.827 1.00 0.00 C ATOM 194 O ILE A 18 6.864 2.663 -3.094 1.00 0.00 O ATOM 195 CB ILE A 18 8.691 1.996 -0.500 1.00 0.00 C ATOM 196 CG1 ILE A 18 8.374 1.638 0.959 1.00 0.00 C ATOM 197 CG2 ILE A 18 8.550 3.507 -0.709 1.00 0.00 C ATOM 198 CD1 ILE A 18 9.463 2.122 1.921 1.00 0.00 C ATOM 0 H ILE A 18 9.161 -0.319 -1.246 1.00 0.00 H new ATOM 0 HA ILE A 18 6.737 1.271 -1.012 1.00 0.00 H new ATOM 0 HB ILE A 18 9.719 1.727 -0.743 1.00 0.00 H new ATOM 0 HG12 ILE A 18 7.419 2.081 1.241 1.00 0.00 H new ATOM 0 HG13 ILE A 18 8.264 0.557 1.051 1.00 0.00 H new ATOM 0 HG21 ILE A 18 9.234 4.032 -0.042 1.00 0.00 H new ATOM 0 HG22 ILE A 18 8.789 3.755 -1.743 1.00 0.00 H new ATOM 0 HG23 ILE A 18 7.526 3.811 -0.491 1.00 0.00 H new ATOM 0 HD11 ILE A 18 9.196 1.846 2.941 1.00 0.00 H new ATOM 0 HD12 ILE A 18 10.414 1.659 1.657 1.00 0.00 H new ATOM 0 HD13 ILE A 18 9.556 3.206 1.850 1.00 0.00 H new ATOM 210 N GLU A 19 8.569 1.355 -3.738 1.00 0.00 N ATOM 211 CA GLU A 19 8.572 1.922 -5.078 1.00 0.00 C ATOM 212 C GLU A 19 7.313 1.517 -5.839 1.00 0.00 C ATOM 213 O GLU A 19 6.830 2.287 -6.667 1.00 0.00 O ATOM 214 CB GLU A 19 9.830 1.479 -5.827 1.00 0.00 C ATOM 215 CG GLU A 19 11.062 2.197 -5.273 1.00 0.00 C ATOM 216 CD GLU A 19 12.352 1.739 -5.950 1.00 0.00 C ATOM 217 OE1 GLU A 19 12.358 0.626 -6.519 1.00 0.00 O ATOM 218 OE2 GLU A 19 13.334 2.513 -5.896 1.00 0.00 O ATOM 0 H GLU A 19 9.262 0.625 -3.574 1.00 0.00 H new ATOM 0 HA GLU A 19 8.577 3.009 -5.000 1.00 0.00 H new ATOM 0 HB2 GLU A 19 9.957 0.401 -5.732 1.00 0.00 H new ATOM 0 HB3 GLU A 19 9.723 1.695 -6.890 1.00 0.00 H new ATOM 0 HG2 GLU A 19 10.945 3.272 -5.409 1.00 0.00 H new ATOM 0 HG3 GLU A 19 11.133 2.017 -4.200 1.00 0.00 H new ATOM 225 N SER A 20 6.767 0.328 -5.572 1.00 0.00 N ATOM 226 CA SER A 20 5.551 -0.139 -6.214 1.00 0.00 C ATOM 227 C SER A 20 4.307 0.392 -5.509 1.00 0.00 C ATOM 228 O SER A 20 3.242 0.470 -6.117 1.00 0.00 O ATOM 229 CB SER A 20 5.567 -1.662 -6.185 1.00 0.00 C ATOM 230 OG SER A 20 6.657 -2.147 -6.944 1.00 0.00 O ATOM 0 H SER A 20 7.161 -0.333 -4.903 1.00 0.00 H new ATOM 0 HA SER A 20 5.515 0.228 -7.240 1.00 0.00 H new ATOM 0 HB2 SER A 20 5.644 -2.014 -5.156 1.00 0.00 H new ATOM 0 HB3 SER A 20 4.631 -2.052 -6.586 1.00 0.00 H new ATOM 0 HG SER A 20 6.662 -3.127 -6.920 1.00 0.00 H new ATOM 236 N PHE A 21 4.426 0.765 -4.231 1.00 0.00 N ATOM 237 CA PHE A 21 3.310 1.335 -3.490 1.00 0.00 C ATOM 238 C PHE A 21 3.067 2.763 -3.956 1.00 0.00 C ATOM 239 O PHE A 21 1.933 3.151 -4.227 1.00 0.00 O ATOM 240 CB PHE A 21 3.653 1.308 -2.002 1.00 0.00 C ATOM 241 CG PHE A 21 2.500 1.643 -1.073 1.00 0.00 C ATOM 242 CD1 PHE A 21 1.962 2.940 -1.055 1.00 0.00 C ATOM 243 CD2 PHE A 21 1.961 0.664 -0.223 1.00 0.00 C ATOM 244 CE1 PHE A 21 0.872 3.241 -0.227 1.00 0.00 C ATOM 245 CE2 PHE A 21 0.872 0.965 0.605 1.00 0.00 C ATOM 246 CZ PHE A 21 0.320 2.252 0.597 1.00 0.00 C ATOM 0 H PHE A 21 5.288 0.680 -3.692 1.00 0.00 H new ATOM 0 HA PHE A 21 2.402 0.757 -3.664 1.00 0.00 H new ATOM 0 HB2 PHE A 21 4.028 0.316 -1.749 1.00 0.00 H new ATOM 0 HB3 PHE A 21 4.464 2.012 -1.818 1.00 0.00 H new ATOM 0 HD1 PHE A 21 2.390 3.709 -1.682 1.00 0.00 H new ATOM 0 HD2 PHE A 21 2.389 -0.328 -0.207 1.00 0.00 H new ATOM 0 HE1 PHE A 21 0.457 4.238 -0.224 1.00 0.00 H new ATOM 0 HE2 PHE A 21 0.458 0.204 1.250 1.00 0.00 H new ATOM 0 HZ PHE A 21 -0.529 2.481 1.224 1.00 0.00 H new ATOM 256 N THR A 22 4.148 3.539 -4.048 1.00 0.00 N ATOM 257 CA THR A 22 4.099 4.927 -4.504 1.00 0.00 C ATOM 258 C THR A 22 3.827 4.999 -6.005 1.00 0.00 C ATOM 259 O THR A 22 3.612 6.084 -6.543 1.00 0.00 O ATOM 260 CB THR A 22 5.430 5.626 -4.215 1.00 0.00 C ATOM 261 OG1 THR A 22 5.998 5.159 -3.008 1.00 0.00 O ATOM 262 CG2 THR A 22 5.233 7.131 -4.062 1.00 0.00 C ATOM 0 H THR A 22 5.086 3.220 -3.807 1.00 0.00 H new ATOM 0 HA THR A 22 3.291 5.424 -3.967 1.00 0.00 H new ATOM 0 HB THR A 22 6.086 5.407 -5.057 1.00 0.00 H new ATOM 0 HG1 THR A 22 6.590 4.401 -3.197 1.00 0.00 H new ATOM 0 HG21 THR A 22 6.193 7.605 -3.857 1.00 0.00 H new ATOM 0 HG22 THR A 22 4.816 7.539 -4.983 1.00 0.00 H new ATOM 0 HG23 THR A 22 4.549 7.326 -3.236 1.00 0.00 H new ATOM 270 N SER A 23 3.836 3.851 -6.687 1.00 0.00 N ATOM 271 CA SER A 23 3.525 3.801 -8.107 1.00 0.00 C ATOM 272 C SER A 23 2.045 3.529 -8.338 1.00 0.00 C ATOM 273 O SER A 23 1.530 3.773 -9.428 1.00 0.00 O ATOM 274 CB SER A 23 4.328 2.694 -8.773 1.00 0.00 C ATOM 275 OG SER A 23 5.694 3.034 -8.847 1.00 0.00 O ATOM 0 H SER A 23 4.056 2.945 -6.273 1.00 0.00 H new ATOM 0 HA SER A 23 3.781 4.770 -8.537 1.00 0.00 H new ATOM 0 HB2 SER A 23 4.210 1.767 -8.212 1.00 0.00 H new ATOM 0 HB3 SER A 23 3.940 2.511 -9.775 1.00 0.00 H new ATOM 0 HG SER A 23 6.096 2.968 -7.956 1.00 0.00 H new ATOM 281 N LEU A 24 1.364 3.019 -7.309 1.00 0.00 N ATOM 282 CA LEU A 24 -0.040 2.650 -7.380 1.00 0.00 C ATOM 283 C LEU A 24 -0.883 3.546 -6.478 1.00 0.00 C ATOM 284 O LEU A 24 -2.112 3.495 -6.517 1.00 0.00 O ATOM 285 CB LEU A 24 -0.175 1.184 -6.987 1.00 0.00 C ATOM 286 CG LEU A 24 0.411 0.254 -8.054 1.00 0.00 C ATOM 287 CD1 LEU A 24 0.388 -1.184 -7.541 1.00 0.00 C ATOM 288 CD2 LEU A 24 -0.388 0.315 -9.354 1.00 0.00 C ATOM 0 H LEU A 24 1.783 2.851 -6.394 1.00 0.00 H new ATOM 0 HA LEU A 24 -0.408 2.787 -8.397 1.00 0.00 H new ATOM 0 HB2 LEU A 24 0.333 1.014 -6.038 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -1.227 0.944 -6.833 1.00 0.00 H new ATOM 0 HG LEU A 24 1.431 0.581 -8.255 1.00 0.00 H new ATOM 0 HD11 LEU A 24 0.805 -1.847 -8.299 1.00 0.00 H new ATOM 0 HD12 LEU A 24 0.983 -1.255 -6.630 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -0.640 -1.478 -7.327 1.00 0.00 H new ATOM 0 HD21 LEU A 24 0.058 -0.358 -10.087 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -1.418 0.013 -9.163 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -0.375 1.334 -9.742 1.00 0.00 H new ATOM 300 N THR A 25 -0.214 4.365 -5.669 1.00 0.00 N ATOM 301 CA THR A 25 -0.837 5.406 -4.871 1.00 0.00 C ATOM 302 C THR A 25 -0.046 6.686 -5.121 1.00 0.00 C ATOM 303 O THR A 25 1.016 6.632 -5.739 1.00 0.00 O ATOM 304 CB THR A 25 -0.840 5.044 -3.383 1.00 0.00 C ATOM 305 OG1 THR A 25 0.485 5.004 -2.911 1.00 0.00 O ATOM 306 CG2 THR A 25 -1.512 3.696 -3.132 1.00 0.00 C ATOM 0 H THR A 25 0.798 4.318 -5.551 1.00 0.00 H new ATOM 0 HA THR A 25 -1.881 5.532 -5.156 1.00 0.00 H new ATOM 0 HB THR A 25 -1.409 5.806 -2.850 1.00 0.00 H new ATOM 0 HG1 THR A 25 0.957 4.251 -3.324 1.00 0.00 H new ATOM 0 HG21 THR A 25 -1.495 3.474 -2.065 1.00 0.00 H new ATOM 0 HG22 THR A 25 -2.545 3.734 -3.478 1.00 0.00 H new ATOM 0 HG23 THR A 25 -0.977 2.916 -3.674 1.00 0.00 H new ATOM 314 N LYS A 26 -0.537 7.838 -4.655 1.00 0.00 N ATOM 315 CA LYS A 26 0.117 9.114 -4.929 1.00 0.00 C ATOM 316 C LYS A 26 0.498 9.849 -3.645 1.00 0.00 C ATOM 317 O LYS A 26 0.573 11.078 -3.628 1.00 0.00 O ATOM 318 CB LYS A 26 -0.743 9.955 -5.879 1.00 0.00 C ATOM 319 CG LYS A 26 -0.929 9.267 -7.241 1.00 0.00 C ATOM 320 CD LYS A 26 0.396 9.040 -7.988 1.00 0.00 C ATOM 321 CE LYS A 26 1.113 10.358 -8.288 1.00 0.00 C ATOM 322 NZ LYS A 26 0.319 11.218 -9.185 1.00 0.00 N ATOM 0 H LYS A 26 -1.382 7.910 -4.089 1.00 0.00 H new ATOM 0 HA LYS A 26 1.062 8.920 -5.437 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -1.718 10.133 -5.425 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -0.277 10.929 -6.025 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -1.424 8.307 -7.092 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -1.589 9.874 -7.861 1.00 0.00 H new ATOM 0 HD2 LYS A 26 1.046 8.401 -7.390 1.00 0.00 H new ATOM 0 HD3 LYS A 26 0.201 8.512 -8.921 1.00 0.00 H new ATOM 0 HE2 LYS A 26 1.308 10.887 -7.355 1.00 0.00 H new ATOM 0 HE3 LYS A 26 2.081 10.150 -8.745 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 0.901 12.020 -9.502 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 0.010 10.667 -10.011 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -0.515 11.575 -8.676 1.00 0.00 H new ATOM 336 N CYS A 27 0.740 9.096 -2.569 1.00 0.00 N ATOM 337 CA CYS A 27 1.250 9.654 -1.323 1.00 0.00 C ATOM 338 C CYS A 27 2.772 9.710 -1.382 1.00 0.00 C ATOM 339 O CYS A 27 3.376 9.282 -2.367 1.00 0.00 O ATOM 340 CB CYS A 27 0.764 8.804 -0.147 1.00 0.00 C ATOM 341 SG CYS A 27 1.408 7.117 -0.299 1.00 0.00 S ATOM 0 H CYS A 27 0.587 8.088 -2.541 1.00 0.00 H new ATOM 0 HA CYS A 27 0.877 10.669 -1.182 1.00 0.00 H new ATOM 0 HB2 CYS A 27 1.094 9.245 0.793 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -0.326 8.786 -0.125 1.00 0.00 H new ATOM 0 HG CYS A 27 0.870 6.539 -1.332 1.00 0.00 H new ATOM 347 N ASP A 28 3.411 10.234 -0.335 1.00 0.00 N ATOM 348 CA ASP A 28 4.857 10.258 -0.249 1.00 0.00 C ATOM 349 C ASP A 28 5.387 8.861 0.079 1.00 0.00 C ATOM 350 O ASP A 28 4.667 8.060 0.677 1.00 0.00 O ATOM 351 CB ASP A 28 5.254 11.253 0.836 1.00 0.00 C ATOM 352 CG ASP A 28 4.839 12.671 0.464 1.00 0.00 C ATOM 353 OD1 ASP A 28 5.521 13.270 -0.399 1.00 0.00 O ATOM 354 OD2 ASP A 28 3.837 13.147 1.047 1.00 0.00 O ATOM 0 H ASP A 28 2.938 10.649 0.468 1.00 0.00 H new ATOM 0 HA ASP A 28 5.288 10.563 -1.203 1.00 0.00 H new ATOM 0 HB2 ASP A 28 4.787 10.971 1.780 1.00 0.00 H new ATOM 0 HB3 ASP A 28 6.332 11.216 0.990 1.00 0.00 H new ATOM 359 N PRO A 29 6.637 8.548 -0.292 1.00 0.00 N ATOM 360 CA PRO A 29 7.254 7.258 -0.023 1.00 0.00 C ATOM 361 C PRO A 29 7.308 6.964 1.467 1.00 0.00 C ATOM 362 O PRO A 29 7.336 5.810 1.890 1.00 0.00 O ATOM 363 CB PRO A 29 8.686 7.400 -0.532 1.00 0.00 C ATOM 364 CG PRO A 29 8.562 8.441 -1.641 1.00 0.00 C ATOM 365 CD PRO A 29 7.552 9.402 -1.024 1.00 0.00 C ATOM 0 HA PRO A 29 6.691 6.453 -0.496 1.00 0.00 H new ATOM 0 HB2 PRO A 29 9.362 7.731 0.256 1.00 0.00 H new ATOM 0 HB3 PRO A 29 9.075 6.454 -0.910 1.00 0.00 H new ATOM 0 HG2 PRO A 29 9.513 8.926 -1.860 1.00 0.00 H new ATOM 0 HG3 PRO A 29 8.203 8.008 -2.575 1.00 0.00 H new ATOM 0 HD2 PRO A 29 8.039 10.119 -0.364 1.00 0.00 H new ATOM 0 HD3 PRO A 29 7.032 9.976 -1.790 1.00 0.00 H new ATOM 373 N LYS A 30 7.322 8.034 2.265 1.00 0.00 N ATOM 374 CA LYS A 30 7.452 7.938 3.702 1.00 0.00 C ATOM 375 C LYS A 30 6.154 7.436 4.332 1.00 0.00 C ATOM 376 O LYS A 30 6.161 6.994 5.482 1.00 0.00 O ATOM 377 CB LYS A 30 7.842 9.314 4.246 1.00 0.00 C ATOM 378 CG LYS A 30 9.344 9.568 4.207 1.00 0.00 C ATOM 379 CD LYS A 30 9.910 9.564 2.793 1.00 0.00 C ATOM 380 CE LYS A 30 11.367 9.976 2.934 1.00 0.00 C ATOM 381 NZ LYS A 30 12.050 10.031 1.625 1.00 0.00 N ATOM 0 H LYS A 30 7.243 8.991 1.921 1.00 0.00 H new ATOM 0 HA LYS A 30 8.228 7.216 3.958 1.00 0.00 H new ATOM 0 HB2 LYS A 30 7.334 10.085 3.666 1.00 0.00 H new ATOM 0 HB3 LYS A 30 7.491 9.405 5.274 1.00 0.00 H new ATOM 0 HG2 LYS A 30 9.557 10.529 4.675 1.00 0.00 H new ATOM 0 HG3 LYS A 30 9.852 8.806 4.798 1.00 0.00 H new ATOM 0 HD2 LYS A 30 9.824 8.577 2.339 1.00 0.00 H new ATOM 0 HD3 LYS A 30 9.367 10.258 2.151 1.00 0.00 H new ATOM 0 HE2 LYS A 30 11.424 10.952 3.415 1.00 0.00 H new ATOM 0 HE3 LYS A 30 11.883 9.270 3.584 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 13.041 10.315 1.762 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 12.018 9.093 1.177 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 11.573 10.723 1.013 1.00 0.00 H new ATOM 395 N VAL A 31 5.045 7.497 3.588 1.00 0.00 N ATOM 396 CA VAL A 31 3.755 6.985 4.030 1.00 0.00 C ATOM 397 C VAL A 31 3.626 5.518 3.634 1.00 0.00 C ATOM 398 O VAL A 31 2.914 4.759 4.286 1.00 0.00 O ATOM 399 CB VAL A 31 2.635 7.832 3.409 1.00 0.00 C ATOM 400 CG1 VAL A 31 1.254 7.317 3.818 1.00 0.00 C ATOM 401 CG2 VAL A 31 2.771 9.285 3.860 1.00 0.00 C ATOM 0 H VAL A 31 5.023 7.908 2.655 1.00 0.00 H new ATOM 0 HA VAL A 31 3.675 7.051 5.115 1.00 0.00 H new ATOM 0 HB VAL A 31 2.730 7.762 2.325 1.00 0.00 H new ATOM 0 HG11 VAL A 31 0.484 7.939 3.361 1.00 0.00 H new ATOM 0 HG12 VAL A 31 1.135 6.287 3.482 1.00 0.00 H new ATOM 0 HG13 VAL A 31 1.157 7.358 4.903 1.00 0.00 H new ATOM 0 HG21 VAL A 31 1.973 9.880 3.416 1.00 0.00 H new ATOM 0 HG22 VAL A 31 2.700 9.337 4.946 1.00 0.00 H new ATOM 0 HG23 VAL A 31 3.737 9.676 3.540 1.00 0.00 H new ATOM 411 N SER A 32 4.320 5.110 2.568 1.00 0.00 N ATOM 412 CA SER A 32 4.278 3.737 2.094 1.00 0.00 C ATOM 413 C SER A 32 4.960 2.807 3.095 1.00 0.00 C ATOM 414 O SER A 32 4.622 1.630 3.179 1.00 0.00 O ATOM 415 CB SER A 32 4.996 3.661 0.747 1.00 0.00 C ATOM 416 OG SER A 32 4.456 4.606 -0.152 1.00 0.00 O ATOM 0 H SER A 32 4.921 5.723 2.017 1.00 0.00 H new ATOM 0 HA SER A 32 3.240 3.423 1.984 1.00 0.00 H new ATOM 0 HB2 SER A 32 6.061 3.847 0.884 1.00 0.00 H new ATOM 0 HB3 SER A 32 4.899 2.658 0.332 1.00 0.00 H new ATOM 0 HG SER A 32 3.637 4.246 -0.552 1.00 0.00 H new ATOM 422 N ARG A 33 5.922 3.333 3.860 1.00 0.00 N ATOM 423 CA ARG A 33 6.677 2.562 4.838 1.00 0.00 C ATOM 424 C ARG A 33 5.795 2.140 6.009 1.00 0.00 C ATOM 425 O ARG A 33 5.908 1.015 6.495 1.00 0.00 O ATOM 426 CB ARG A 33 7.842 3.433 5.322 1.00 0.00 C ATOM 427 CG ARG A 33 8.615 2.798 6.482 1.00 0.00 C ATOM 428 CD ARG A 33 9.801 3.681 6.874 1.00 0.00 C ATOM 429 NE ARG A 33 9.356 4.997 7.352 1.00 0.00 N ATOM 430 CZ ARG A 33 10.167 6.049 7.506 1.00 0.00 C ATOM 431 NH1 ARG A 33 11.466 5.956 7.237 1.00 0.00 N ATOM 432 NH2 ARG A 33 9.674 7.208 7.935 1.00 0.00 N ATOM 0 H ARG A 33 6.197 4.314 3.813 1.00 0.00 H new ATOM 0 HA ARG A 33 7.052 1.647 4.379 1.00 0.00 H new ATOM 0 HB2 ARG A 33 8.525 3.613 4.492 1.00 0.00 H new ATOM 0 HB3 ARG A 33 7.458 4.404 5.635 1.00 0.00 H new ATOM 0 HG2 ARG A 33 7.954 2.663 7.338 1.00 0.00 H new ATOM 0 HG3 ARG A 33 8.969 1.808 6.194 1.00 0.00 H new ATOM 0 HD2 ARG A 33 10.382 3.187 7.653 1.00 0.00 H new ATOM 0 HD3 ARG A 33 10.461 3.808 6.016 1.00 0.00 H new ATOM 0 HE ARG A 33 8.369 5.115 7.580 1.00 0.00 H new ATOM 0 HH11 ARG A 33 11.857 5.073 6.908 1.00 0.00 H new ATOM 0 HH12 ARG A 33 12.072 6.768 7.360 1.00 0.00 H new ATOM 0 HH21 ARG A 33 8.680 7.293 8.146 1.00 0.00 H new ATOM 0 HH22 ARG A 33 10.291 8.012 8.053 1.00 0.00 H new ATOM 446 N LYS A 34 4.916 3.035 6.466 1.00 0.00 N ATOM 447 CA LYS A 34 4.052 2.737 7.601 1.00 0.00 C ATOM 448 C LYS A 34 2.897 1.850 7.168 1.00 0.00 C ATOM 449 O LYS A 34 2.374 1.078 7.969 1.00 0.00 O ATOM 450 CB LYS A 34 3.546 4.041 8.227 1.00 0.00 C ATOM 451 CG LYS A 34 2.197 4.513 7.677 1.00 0.00 C ATOM 452 CD LYS A 34 1.807 5.833 8.340 1.00 0.00 C ATOM 453 CE LYS A 34 0.438 6.278 7.828 1.00 0.00 C ATOM 454 NZ LYS A 34 0.012 7.535 8.471 1.00 0.00 N ATOM 0 H LYS A 34 4.787 3.965 6.068 1.00 0.00 H new ATOM 0 HA LYS A 34 4.624 2.195 8.354 1.00 0.00 H new ATOM 0 HB2 LYS A 34 3.460 3.905 9.305 1.00 0.00 H new ATOM 0 HB3 LYS A 34 4.288 4.823 8.063 1.00 0.00 H new ATOM 0 HG2 LYS A 34 2.258 4.641 6.596 1.00 0.00 H new ATOM 0 HG3 LYS A 34 1.432 3.760 7.866 1.00 0.00 H new ATOM 0 HD2 LYS A 34 1.780 5.714 9.423 1.00 0.00 H new ATOM 0 HD3 LYS A 34 2.554 6.596 8.122 1.00 0.00 H new ATOM 0 HE2 LYS A 34 0.478 6.414 6.747 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -0.298 5.498 8.024 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -0.921 7.814 8.105 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -0.048 7.396 9.500 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 0.704 8.283 8.263 1.00 0.00 H new ATOM 468 N TYR A 35 2.510 1.962 5.896 1.00 0.00 N ATOM 469 CA TYR A 35 1.442 1.149 5.337 1.00 0.00 C ATOM 470 C TYR A 35 1.956 -0.206 4.860 1.00 0.00 C ATOM 471 O TYR A 35 1.265 -0.887 4.114 1.00 0.00 O ATOM 472 CB TYR A 35 0.706 1.895 4.219 1.00 0.00 C ATOM 473 CG TYR A 35 -0.500 2.671 4.696 1.00 0.00 C ATOM 474 CD1 TYR A 35 -1.710 2.002 4.928 1.00 0.00 C ATOM 475 CD2 TYR A 35 -0.409 4.055 4.890 1.00 0.00 C ATOM 476 CE1 TYR A 35 -2.833 2.720 5.359 1.00 0.00 C ATOM 477 CE2 TYR A 35 -1.527 4.780 5.322 1.00 0.00 C ATOM 478 CZ TYR A 35 -2.743 4.112 5.570 1.00 0.00 C ATOM 479 OH TYR A 35 -3.833 4.806 6.008 1.00 0.00 O ATOM 0 H TYR A 35 2.928 2.615 5.233 1.00 0.00 H new ATOM 0 HA TYR A 35 0.725 0.957 6.135 1.00 0.00 H new ATOM 0 HB2 TYR A 35 1.400 2.582 3.735 1.00 0.00 H new ATOM 0 HB3 TYR A 35 0.389 1.177 3.463 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -1.776 0.935 4.775 1.00 0.00 H new ATOM 0 HD2 TYR A 35 0.525 4.564 4.706 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -3.768 2.208 5.530 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -1.457 5.848 5.465 1.00 0.00 H new ATOM 0 HH TYR A 35 -3.742 5.749 5.758 1.00 0.00 H new ATOM 489 N LEU A 36 3.157 -0.604 5.281 1.00 0.00 N ATOM 490 CA LEU A 36 3.706 -1.924 4.998 1.00 0.00 C ATOM 491 C LEU A 36 4.214 -2.574 6.284 1.00 0.00 C ATOM 492 O LEU A 36 4.304 -3.798 6.366 1.00 0.00 O ATOM 493 CB LEU A 36 4.839 -1.768 3.977 1.00 0.00 C ATOM 494 CG LEU A 36 4.328 -1.484 2.559 1.00 0.00 C ATOM 495 CD1 LEU A 36 5.484 -1.041 1.668 1.00 0.00 C ATOM 496 CD2 LEU A 36 3.731 -2.750 1.952 1.00 0.00 C ATOM 0 H LEU A 36 3.779 -0.012 5.832 1.00 0.00 H new ATOM 0 HA LEU A 36 2.932 -2.572 4.586 1.00 0.00 H new ATOM 0 HB2 LEU A 36 5.495 -0.956 4.291 1.00 0.00 H new ATOM 0 HB3 LEU A 36 5.440 -2.677 3.966 1.00 0.00 H new ATOM 0 HG LEU A 36 3.572 -0.701 2.621 1.00 0.00 H new ATOM 0 HD11 LEU A 36 5.113 -0.841 0.663 1.00 0.00 H new ATOM 0 HD12 LEU A 36 5.931 -0.135 2.076 1.00 0.00 H new ATOM 0 HD13 LEU A 36 6.235 -1.830 1.627 1.00 0.00 H new ATOM 0 HD21 LEU A 36 3.372 -2.536 0.945 1.00 0.00 H new ATOM 0 HD22 LEU A 36 4.494 -3.527 1.907 1.00 0.00 H new ATOM 0 HD23 LEU A 36 2.900 -3.092 2.569 1.00 0.00 H new ATOM 508 N GLN A 37 4.538 -1.759 7.293 1.00 0.00 N ATOM 509 CA GLN A 37 4.898 -2.216 8.627 1.00 0.00 C ATOM 510 C GLN A 37 3.661 -2.705 9.388 1.00 0.00 C ATOM 511 O GLN A 37 3.738 -3.003 10.578 1.00 0.00 O ATOM 512 CB GLN A 37 5.592 -1.064 9.351 1.00 0.00 C ATOM 513 CG GLN A 37 7.096 -1.298 9.309 1.00 0.00 C ATOM 514 CD GLN A 37 7.880 0.002 9.328 1.00 0.00 C ATOM 515 OE1 GLN A 37 7.371 1.069 9.666 1.00 0.00 O ATOM 516 NE2 GLN A 37 9.150 -0.091 8.953 1.00 0.00 N ATOM 0 H GLN A 37 4.556 -0.744 7.197 1.00 0.00 H new ATOM 0 HA GLN A 37 5.578 -3.065 8.566 1.00 0.00 H new ATOM 0 HB2 GLN A 37 5.344 -0.115 8.876 1.00 0.00 H new ATOM 0 HB3 GLN A 37 5.247 -1.004 10.383 1.00 0.00 H new ATOM 0 HG2 GLN A 37 7.391 -1.910 10.161 1.00 0.00 H new ATOM 0 HG3 GLN A 37 7.349 -1.860 8.410 1.00 0.00 H new ATOM 0 HE21 GLN A 37 9.536 -0.995 8.679 1.00 0.00 H new ATOM 0 HE22 GLN A 37 9.740 0.741 8.938 1.00 0.00 H new ATOM 525 N ARG A 38 2.521 -2.788 8.690 1.00 0.00 N ATOM 526 CA ARG A 38 1.241 -3.184 9.259 1.00 0.00 C ATOM 527 C ARG A 38 0.606 -4.349 8.500 1.00 0.00 C ATOM 528 O ARG A 38 -0.575 -4.628 8.685 1.00 0.00 O ATOM 529 CB ARG A 38 0.323 -1.956 9.342 1.00 0.00 C ATOM 530 CG ARG A 38 0.073 -1.286 7.993 1.00 0.00 C ATOM 531 CD ARG A 38 -0.707 0.018 8.197 1.00 0.00 C ATOM 532 NE ARG A 38 -2.044 -0.220 8.750 1.00 0.00 N ATOM 533 CZ ARG A 38 -2.380 -0.106 10.037 1.00 0.00 C ATOM 534 NH1 ARG A 38 -1.489 0.268 10.953 1.00 0.00 N ATOM 535 NH2 ARG A 38 -3.629 -0.367 10.419 1.00 0.00 N ATOM 0 H ARG A 38 2.469 -2.576 7.694 1.00 0.00 H new ATOM 0 HA ARG A 38 1.403 -3.559 10.269 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -0.633 -2.256 9.772 1.00 0.00 H new ATOM 0 HB3 ARG A 38 0.764 -1.228 10.023 1.00 0.00 H new ATOM 0 HG2 ARG A 38 1.022 -1.079 7.498 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -0.487 -1.957 7.342 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -0.149 0.673 8.867 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -0.797 0.539 7.244 1.00 0.00 H new ATOM 0 HE ARG A 38 -2.778 -0.495 8.097 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -0.529 0.474 10.677 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -1.766 0.349 11.931 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -4.324 -0.653 9.729 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -3.890 -0.281 11.401 1.00 0.00 H new ATOM 549 N ASN A 39 1.385 -5.026 7.648 1.00 0.00 N ATOM 550 CA ASN A 39 0.881 -6.113 6.817 1.00 0.00 C ATOM 551 C ASN A 39 2.007 -7.023 6.317 1.00 0.00 C ATOM 552 O ASN A 39 1.888 -7.631 5.255 1.00 0.00 O ATOM 553 CB ASN A 39 0.124 -5.507 5.632 1.00 0.00 C ATOM 554 CG ASN A 39 0.942 -4.414 4.996 1.00 0.00 C ATOM 555 OD1 ASN A 39 1.954 -4.669 4.354 1.00 0.00 O ATOM 556 ND2 ASN A 39 0.487 -3.183 5.192 1.00 0.00 N ATOM 0 H ASN A 39 2.378 -4.833 7.519 1.00 0.00 H new ATOM 0 HA ASN A 39 0.216 -6.733 7.418 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -0.096 -6.281 4.897 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -0.832 -5.107 5.968 1.00 0.00 H new ATOM 0 HD21 ASN A 39 0.987 -2.386 4.798 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -0.363 -3.034 5.736 1.00 0.00 H new ATOM 563 N HIS A 40 3.101 -7.121 7.078 1.00 0.00 N ATOM 564 CA HIS A 40 4.227 -7.980 6.733 1.00 0.00 C ATOM 565 C HIS A 40 4.844 -7.627 5.377 1.00 0.00 C ATOM 566 O HIS A 40 5.411 -8.490 4.709 1.00 0.00 O ATOM 567 CB HIS A 40 3.814 -9.448 6.842 1.00 0.00 C ATOM 568 CG HIS A 40 2.915 -9.704 8.022 1.00 0.00 C ATOM 569 ND1 HIS A 40 3.232 -9.447 9.358 1.00 0.00 N ATOM 570 CD2 HIS A 40 1.648 -10.209 7.946 1.00 0.00 C ATOM 571 CE1 HIS A 40 2.136 -9.793 10.054 1.00 0.00 C ATOM 572 NE2 HIS A 40 1.173 -10.257 9.235 1.00 0.00 N ATOM 0 H HIS A 40 3.227 -6.606 7.949 1.00 0.00 H new ATOM 0 HA HIS A 40 5.025 -7.805 7.454 1.00 0.00 H new ATOM 0 HB2 HIS A 40 3.303 -9.748 5.927 1.00 0.00 H new ATOM 0 HB3 HIS A 40 4.706 -10.069 6.927 1.00 0.00 H new ATOM 0 HD2 HIS A 40 1.124 -10.511 7.051 1.00 0.00 H new ATOM 0 HE1 HIS A 40 2.040 -9.710 11.127 1.00 0.00 H new ATOM 0 HE2 HIS A 40 0.251 -10.587 9.521 1.00 0.00 H new ATOM 580 N TRP A 41 4.736 -6.356 4.979 1.00 0.00 N ATOM 581 CA TRP A 41 5.316 -5.834 3.747 1.00 0.00 C ATOM 582 C TRP A 41 4.806 -6.524 2.479 1.00 0.00 C ATOM 583 O TRP A 41 5.545 -6.654 1.504 1.00 0.00 O ATOM 584 CB TRP A 41 6.839 -5.761 3.875 1.00 0.00 C ATOM 585 CG TRP A 41 7.296 -4.773 4.892 1.00 0.00 C ATOM 586 CD1 TRP A 41 7.331 -4.936 6.229 1.00 0.00 C ATOM 587 CD2 TRP A 41 7.781 -3.427 4.652 1.00 0.00 C ATOM 588 NE1 TRP A 41 7.763 -3.767 6.828 1.00 0.00 N ATOM 589 CE2 TRP A 41 8.012 -2.779 5.895 1.00 0.00 C ATOM 590 CE3 TRP A 41 8.006 -2.691 3.481 1.00 0.00 C ATOM 591 CZ2 TRP A 41 8.396 -1.431 5.970 1.00 0.00 C ATOM 592 CZ3 TRP A 41 8.421 -1.353 3.539 1.00 0.00 C ATOM 593 CH2 TRP A 41 8.605 -0.722 4.779 1.00 0.00 C ATOM 0 H TRP A 41 4.233 -5.651 5.517 1.00 0.00 H new ATOM 0 HA TRP A 41 4.961 -4.812 3.612 1.00 0.00 H new ATOM 0 HB2 TRP A 41 7.223 -6.747 4.138 1.00 0.00 H new ATOM 0 HB3 TRP A 41 7.266 -5.500 2.907 1.00 0.00 H new ATOM 0 HD1 TRP A 41 7.063 -5.841 6.753 1.00 0.00 H new ATOM 0 HE1 TRP A 41 7.883 -3.649 7.834 1.00 0.00 H new ATOM 0 HE3 TRP A 41 7.858 -3.161 2.520 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 8.528 -0.949 6.927 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 8.600 -0.806 2.625 1.00 0.00 H new ATOM 0 HH2 TRP A 41 8.909 0.314 4.816 1.00 0.00 H new ATOM 604 N ASN A 42 3.544 -6.967 2.482 1.00 0.00 N ATOM 605 CA ASN A 42 2.891 -7.483 1.293 1.00 0.00 C ATOM 606 C ASN A 42 2.128 -6.348 0.618 1.00 0.00 C ATOM 607 O ASN A 42 1.195 -5.800 1.202 1.00 0.00 O ATOM 608 CB ASN A 42 1.927 -8.598 1.693 1.00 0.00 C ATOM 609 CG ASN A 42 2.652 -9.907 1.967 1.00 0.00 C ATOM 610 OD1 ASN A 42 3.052 -10.184 3.094 1.00 0.00 O ATOM 611 ND2 ASN A 42 2.820 -10.722 0.932 1.00 0.00 N ATOM 0 H ASN A 42 2.954 -6.974 3.314 1.00 0.00 H new ATOM 0 HA ASN A 42 3.631 -7.884 0.600 1.00 0.00 H new ATOM 0 HB2 ASN A 42 1.374 -8.297 2.583 1.00 0.00 H new ATOM 0 HB3 ASN A 42 1.196 -8.748 0.898 1.00 0.00 H new ATOM 0 HD21 ASN A 42 3.296 -11.615 1.058 1.00 0.00 H new ATOM 0 HD22 ASN A 42 2.473 -10.455 0.011 1.00 0.00 H new ATOM 618 N ILE A 43 2.509 -5.984 -0.609 1.00 0.00 N ATOM 619 CA ILE A 43 1.828 -4.912 -1.325 1.00 0.00 C ATOM 620 C ILE A 43 0.416 -5.340 -1.721 1.00 0.00 C ATOM 621 O ILE A 43 -0.421 -4.501 -2.054 1.00 0.00 O ATOM 622 CB ILE A 43 2.697 -4.453 -2.507 1.00 0.00 C ATOM 623 CG1 ILE A 43 3.703 -3.406 -2.007 1.00 0.00 C ATOM 624 CG2 ILE A 43 1.878 -3.864 -3.661 1.00 0.00 C ATOM 625 CD1 ILE A 43 3.037 -2.079 -1.694 1.00 0.00 C ATOM 0 H ILE A 43 3.279 -6.414 -1.121 1.00 0.00 H new ATOM 0 HA ILE A 43 1.697 -4.046 -0.676 1.00 0.00 H new ATOM 0 HB ILE A 43 3.207 -5.333 -2.899 1.00 0.00 H new ATOM 0 HG12 ILE A 43 4.202 -3.781 -1.113 1.00 0.00 H new ATOM 0 HG13 ILE A 43 4.474 -3.255 -2.762 1.00 0.00 H new ATOM 0 HG21 ILE A 43 2.549 -3.559 -4.464 1.00 0.00 H new ATOM 0 HG22 ILE A 43 1.183 -4.616 -4.035 1.00 0.00 H new ATOM 0 HG23 ILE A 43 1.319 -2.998 -3.306 1.00 0.00 H new ATOM 0 HD11 ILE A 43 3.787 -1.369 -1.344 1.00 0.00 H new ATOM 0 HD12 ILE A 43 2.561 -1.690 -2.594 1.00 0.00 H new ATOM 0 HD13 ILE A 43 2.284 -2.224 -0.919 1.00 0.00 H new ATOM 637 N ASN A 44 0.135 -6.645 -1.685 1.00 0.00 N ATOM 638 CA ASN A 44 -1.183 -7.157 -2.036 1.00 0.00 C ATOM 639 C ASN A 44 -2.106 -7.157 -0.818 1.00 0.00 C ATOM 640 O ASN A 44 -3.268 -7.540 -0.914 1.00 0.00 O ATOM 641 CB ASN A 44 -1.032 -8.564 -2.616 1.00 0.00 C ATOM 642 CG ASN A 44 -0.191 -8.572 -3.885 1.00 0.00 C ATOM 643 OD1 ASN A 44 -0.140 -7.591 -4.620 1.00 0.00 O ATOM 644 ND2 ASN A 44 0.480 -9.689 -4.152 1.00 0.00 N ATOM 0 H ASN A 44 0.807 -7.364 -1.415 1.00 0.00 H new ATOM 0 HA ASN A 44 -1.638 -6.510 -2.786 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -0.572 -9.215 -1.872 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -2.018 -8.974 -2.832 1.00 0.00 H new ATOM 0 HD21 ASN A 44 1.059 -9.748 -4.989 1.00 0.00 H new ATOM 0 HD22 ASN A 44 0.415 -10.486 -3.519 1.00 0.00 H new ATOM 651 N TYR A 45 -1.573 -6.719 0.324 1.00 0.00 N ATOM 652 CA TYR A 45 -2.267 -6.638 1.594 1.00 0.00 C ATOM 653 C TYR A 45 -2.005 -5.278 2.247 1.00 0.00 C ATOM 654 O TYR A 45 -2.289 -5.091 3.429 1.00 0.00 O ATOM 655 CB TYR A 45 -1.775 -7.790 2.470 1.00 0.00 C ATOM 656 CG TYR A 45 -2.336 -9.137 2.069 1.00 0.00 C ATOM 657 CD1 TYR A 45 -3.591 -9.538 2.548 1.00 0.00 C ATOM 658 CD2 TYR A 45 -1.605 -9.981 1.222 1.00 0.00 C ATOM 659 CE1 TYR A 45 -4.120 -10.783 2.181 1.00 0.00 C ATOM 660 CE2 TYR A 45 -2.120 -11.231 0.853 1.00 0.00 C ATOM 661 CZ TYR A 45 -3.386 -11.636 1.328 1.00 0.00 C ATOM 662 OH TYR A 45 -3.899 -12.848 0.968 1.00 0.00 O ATOM 0 H TYR A 45 -0.606 -6.400 0.383 1.00 0.00 H new ATOM 0 HA TYR A 45 -3.345 -6.725 1.457 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -0.687 -7.831 2.425 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -2.044 -7.588 3.507 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -4.152 -8.886 3.201 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -0.640 -9.667 0.852 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -5.088 -11.089 2.550 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -1.550 -11.882 0.207 1.00 0.00 H new ATOM 0 HH TYR A 45 -3.267 -13.308 0.377 1.00 0.00 H new ATOM 672 N ALA A 46 -1.463 -4.334 1.473 1.00 0.00 N ATOM 673 CA ALA A 46 -1.107 -3.009 1.954 1.00 0.00 C ATOM 674 C ALA A 46 -1.816 -1.917 1.158 1.00 0.00 C ATOM 675 O ALA A 46 -2.183 -0.883 1.712 1.00 0.00 O ATOM 676 CB ALA A 46 0.400 -2.855 1.797 1.00 0.00 C ATOM 0 H ALA A 46 -1.259 -4.476 0.484 1.00 0.00 H new ATOM 0 HA ALA A 46 -1.412 -2.906 2.995 1.00 0.00 H new ATOM 0 HB1 ALA A 46 0.704 -1.869 2.149 1.00 0.00 H new ATOM 0 HB2 ALA A 46 0.907 -3.622 2.383 1.00 0.00 H new ATOM 0 HB3 ALA A 46 0.669 -2.964 0.746 1.00 0.00 H new ATOM 682 N LEU A 47 -2.011 -2.136 -0.145 1.00 0.00 N ATOM 683 CA LEU A 47 -2.695 -1.171 -0.986 1.00 0.00 C ATOM 684 C LEU A 47 -4.165 -1.094 -0.589 1.00 0.00 C ATOM 685 O LEU A 47 -4.770 -0.029 -0.660 1.00 0.00 O ATOM 686 CB LEU A 47 -2.539 -1.598 -2.447 1.00 0.00 C ATOM 687 CG LEU A 47 -1.118 -1.388 -2.968 1.00 0.00 C ATOM 688 CD1 LEU A 47 -1.030 -1.955 -4.385 1.00 0.00 C ATOM 689 CD2 LEU A 47 -0.748 0.092 -3.010 1.00 0.00 C ATOM 0 H LEU A 47 -1.702 -2.976 -0.634 1.00 0.00 H new ATOM 0 HA LEU A 47 -2.261 -0.179 -0.858 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -2.807 -2.650 -2.546 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -3.237 -1.032 -3.064 1.00 0.00 H new ATOM 0 HG LEU A 47 -0.427 -1.895 -2.295 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -0.021 -1.813 -4.772 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -1.265 -3.019 -4.366 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -1.741 -1.438 -5.029 1.00 0.00 H new ATOM 0 HD21 LEU A 47 0.269 0.202 -3.386 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -1.437 0.621 -3.668 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -0.811 0.512 -2.006 1.00 0.00 H new ATOM 701 N ASN A 48 -4.740 -2.222 -0.165 1.00 0.00 N ATOM 702 CA ASN A 48 -6.137 -2.282 0.241 1.00 0.00 C ATOM 703 C ASN A 48 -6.346 -1.459 1.500 1.00 0.00 C ATOM 704 O ASN A 48 -7.386 -0.827 1.666 1.00 0.00 O ATOM 705 CB ASN A 48 -6.527 -3.736 0.500 1.00 0.00 C ATOM 706 CG ASN A 48 -5.961 -4.634 -0.577 1.00 0.00 C ATOM 707 OD1 ASN A 48 -6.610 -4.925 -1.576 1.00 0.00 O ATOM 708 ND2 ASN A 48 -4.727 -5.069 -0.358 1.00 0.00 N ATOM 0 H ASN A 48 -4.249 -3.113 -0.095 1.00 0.00 H new ATOM 0 HA ASN A 48 -6.762 -1.875 -0.554 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -6.157 -4.050 1.476 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -7.613 -3.829 0.526 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -4.272 -5.677 -1.039 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -4.233 -4.795 0.491 1.00 0.00 H new ATOM 715 N ASP A 49 -5.349 -1.466 2.393 1.00 0.00 N ATOM 716 CA ASP A 49 -5.438 -0.703 3.629 1.00 0.00 C ATOM 717 C ASP A 49 -5.433 0.793 3.336 1.00 0.00 C ATOM 718 O ASP A 49 -5.983 1.584 4.098 1.00 0.00 O ATOM 719 CB ASP A 49 -4.262 -1.059 4.536 1.00 0.00 C ATOM 720 CG ASP A 49 -4.613 -0.845 6.005 1.00 0.00 C ATOM 721 OD1 ASP A 49 -5.648 -1.396 6.439 1.00 0.00 O ATOM 722 OD2 ASP A 49 -3.842 -0.132 6.683 1.00 0.00 O ATOM 0 H ASP A 49 -4.481 -1.989 2.278 1.00 0.00 H new ATOM 0 HA ASP A 49 -6.373 -0.954 4.130 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -3.977 -2.099 4.375 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -3.399 -0.448 4.273 1.00 0.00 H new ATOM 727 N TYR A 50 -4.811 1.180 2.219 1.00 0.00 N ATOM 728 CA TYR A 50 -4.767 2.562 1.775 1.00 0.00 C ATOM 729 C TYR A 50 -6.048 2.906 1.020 1.00 0.00 C ATOM 730 O TYR A 50 -6.517 4.039 1.064 1.00 0.00 O ATOM 731 CB TYR A 50 -3.531 2.738 0.896 1.00 0.00 C ATOM 732 CG TYR A 50 -3.326 4.142 0.375 1.00 0.00 C ATOM 733 CD1 TYR A 50 -3.925 4.527 -0.835 1.00 0.00 C ATOM 734 CD2 TYR A 50 -2.544 5.056 1.095 1.00 0.00 C ATOM 735 CE1 TYR A 50 -3.740 5.824 -1.331 1.00 0.00 C ATOM 736 CE2 TYR A 50 -2.355 6.357 0.606 1.00 0.00 C ATOM 737 CZ TYR A 50 -2.955 6.747 -0.609 1.00 0.00 C ATOM 738 OH TYR A 50 -2.779 8.012 -1.090 1.00 0.00 O ATOM 0 H TYR A 50 -4.323 0.534 1.599 1.00 0.00 H new ATOM 0 HA TYR A 50 -4.700 3.241 2.625 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -2.650 2.444 1.467 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -3.604 2.057 0.048 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -4.530 3.821 -1.385 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -2.087 4.758 2.027 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -4.198 6.117 -2.264 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -1.750 7.060 1.160 1.00 0.00 H new ATOM 0 HH TYR A 50 -2.658 8.633 -0.341 1.00 0.00 H new ATOM 748 N TYR A 51 -6.619 1.921 0.326 1.00 0.00 N ATOM 749 CA TYR A 51 -7.883 2.082 -0.379 1.00 0.00 C ATOM 750 C TYR A 51 -9.065 2.026 0.590 1.00 0.00 C ATOM 751 O TYR A 51 -10.207 2.217 0.184 1.00 0.00 O ATOM 752 CB TYR A 51 -8.007 1.011 -1.465 1.00 0.00 C ATOM 753 CG TYR A 51 -6.909 1.063 -2.502 1.00 0.00 C ATOM 754 CD1 TYR A 51 -6.429 2.307 -2.939 1.00 0.00 C ATOM 755 CD2 TYR A 51 -6.361 -0.123 -3.018 1.00 0.00 C ATOM 756 CE1 TYR A 51 -5.399 2.369 -3.887 1.00 0.00 C ATOM 757 CE2 TYR A 51 -5.334 -0.065 -3.972 1.00 0.00 C ATOM 758 CZ TYR A 51 -4.848 1.183 -4.413 1.00 0.00 C ATOM 759 OH TYR A 51 -3.848 1.237 -5.340 1.00 0.00 O ATOM 0 H TYR A 51 -6.214 0.989 0.239 1.00 0.00 H new ATOM 0 HA TYR A 51 -7.899 3.064 -0.852 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -8.003 0.028 -0.994 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -8.970 1.122 -1.963 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -6.854 3.218 -2.544 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -6.730 -1.080 -2.680 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -5.026 3.328 -4.216 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -4.915 -0.978 -4.369 1.00 0.00 H new ATOM 0 HH TYR A 51 -3.534 2.161 -5.429 1.00 0.00 H new ATOM 769 N ASP A 52 -8.795 1.764 1.871 1.00 0.00 N ATOM 770 CA ASP A 52 -9.804 1.758 2.912 1.00 0.00 C ATOM 771 C ASP A 52 -9.712 3.002 3.787 1.00 0.00 C ATOM 772 O ASP A 52 -10.712 3.418 4.372 1.00 0.00 O ATOM 773 CB ASP A 52 -9.572 0.539 3.800 1.00 0.00 C ATOM 774 CG ASP A 52 -9.953 -0.789 3.142 1.00 0.00 C ATOM 775 OD1 ASP A 52 -10.715 -0.761 2.149 1.00 0.00 O ATOM 776 OD2 ASP A 52 -9.475 -1.831 3.645 1.00 0.00 O ATOM 0 H ASP A 52 -7.857 1.549 2.210 1.00 0.00 H new ATOM 0 HA ASP A 52 -10.786 1.735 2.439 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -8.520 0.504 4.084 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -10.147 0.656 4.719 1.00 0.00 H new ATOM 781 N LYS A 53 -8.519 3.598 3.886 1.00 0.00 N ATOM 782 CA LYS A 53 -8.256 4.653 4.850 1.00 0.00 C ATOM 783 C LYS A 53 -7.752 5.954 4.222 1.00 0.00 C ATOM 784 O LYS A 53 -7.701 6.974 4.908 1.00 0.00 O ATOM 785 CB LYS A 53 -7.244 4.113 5.855 1.00 0.00 C ATOM 786 CG LYS A 53 -7.795 2.871 6.558 1.00 0.00 C ATOM 787 CD LYS A 53 -6.729 2.357 7.515 1.00 0.00 C ATOM 788 CE LYS A 53 -7.188 1.072 8.203 1.00 0.00 C ATOM 789 NZ LYS A 53 -8.375 1.302 9.051 1.00 0.00 N ATOM 0 H LYS A 53 -7.718 3.359 3.301 1.00 0.00 H new ATOM 0 HA LYS A 53 -9.197 4.919 5.331 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -6.313 3.866 5.345 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -7.010 4.881 6.592 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -8.708 3.115 7.101 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -8.053 2.104 5.828 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -5.804 2.172 6.970 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -6.510 3.117 8.265 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -7.419 0.318 7.450 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -6.376 0.675 8.813 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -8.557 0.458 9.630 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -8.205 2.118 9.673 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -9.201 1.492 8.448 1.00 0.00 H new ATOM 803 N GLU A 54 -7.381 5.936 2.941 1.00 0.00 N ATOM 804 CA GLU A 54 -6.851 7.111 2.253 1.00 0.00 C ATOM 805 C GLU A 54 -7.474 7.275 0.867 1.00 0.00 C ATOM 806 O GLU A 54 -7.021 8.107 0.081 1.00 0.00 O ATOM 807 CB GLU A 54 -5.331 6.998 2.113 1.00 0.00 C ATOM 808 CG GLU A 54 -4.606 6.851 3.456 1.00 0.00 C ATOM 809 CD GLU A 54 -4.760 8.081 4.358 1.00 0.00 C ATOM 810 OE1 GLU A 54 -5.058 9.174 3.825 1.00 0.00 O ATOM 811 OE2 GLU A 54 -4.573 7.917 5.585 1.00 0.00 O ATOM 0 H GLU A 54 -7.440 5.105 2.352 1.00 0.00 H new ATOM 0 HA GLU A 54 -7.104 7.986 2.852 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -5.094 6.139 1.485 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -4.954 7.883 1.600 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -4.992 5.975 3.977 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -3.547 6.672 3.273 1.00 0.00 H new ATOM 818 N ILE A 55 -8.511 6.493 0.554 1.00 0.00 N ATOM 819 CA ILE A 55 -9.151 6.527 -0.750 1.00 0.00 C ATOM 820 C ILE A 55 -9.773 7.904 -1.006 1.00 0.00 C ATOM 821 O ILE A 55 -10.171 8.597 -0.070 1.00 0.00 O ATOM 822 CB ILE A 55 -10.169 5.385 -0.849 1.00 0.00 C ATOM 823 CG1 ILE A 55 -10.756 5.321 -2.265 1.00 0.00 C ATOM 824 CG2 ILE A 55 -11.260 5.540 0.213 1.00 0.00 C ATOM 825 CD1 ILE A 55 -11.579 4.049 -2.480 1.00 0.00 C ATOM 0 H ILE A 55 -8.925 5.822 1.201 1.00 0.00 H new ATOM 0 HA ILE A 55 -8.410 6.374 -1.534 1.00 0.00 H new ATOM 0 HB ILE A 55 -9.662 4.440 -0.656 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -11.384 6.195 -2.438 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -9.948 5.360 -2.996 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -11.972 4.720 0.125 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -10.808 5.524 1.205 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -11.778 6.488 0.066 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -11.978 4.041 -3.494 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -10.944 3.175 -2.333 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -12.402 4.023 -1.766 1.00 0.00 H new ATOM 837 N GLY A 56 -9.859 8.306 -2.279 1.00 0.00 N ATOM 838 CA GLY A 56 -10.324 9.632 -2.655 1.00 0.00 C ATOM 839 C GLY A 56 -11.826 9.835 -2.438 1.00 0.00 C ATOM 840 O GLY A 56 -12.283 10.977 -2.414 1.00 0.00 O ATOM 0 H GLY A 56 -9.607 7.716 -3.072 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -9.777 10.378 -2.078 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -10.089 9.807 -3.705 1.00 0.00 H new ATOM 844 N THR A 57 -12.593 8.752 -2.277 1.00 0.00 N ATOM 845 CA THR A 57 -14.030 8.847 -2.045 1.00 0.00 C ATOM 846 C THR A 57 -14.563 7.590 -1.366 1.00 0.00 C ATOM 847 O THR A 57 -13.920 6.539 -1.395 1.00 0.00 O ATOM 848 CB THR A 57 -14.760 9.087 -3.370 1.00 0.00 C ATOM 849 OG1 THR A 57 -16.131 9.289 -3.112 1.00 0.00 O ATOM 850 CG2 THR A 57 -14.604 7.906 -4.327 1.00 0.00 C ATOM 0 H THR A 57 -12.236 7.797 -2.304 1.00 0.00 H new ATOM 0 HA THR A 57 -14.213 9.690 -1.379 1.00 0.00 H new ATOM 0 HB THR A 57 -14.320 9.966 -3.841 1.00 0.00 H new ATOM 0 HG1 THR A 57 -16.558 9.681 -3.902 1.00 0.00 H new ATOM 0 HG21 THR A 57 -15.136 8.116 -5.255 1.00 0.00 H new ATOM 0 HG22 THR A 57 -13.547 7.750 -4.543 1.00 0.00 H new ATOM 0 HG23 THR A 57 -15.017 7.008 -3.867 1.00 0.00 H new ATOM 858 N PHE A 58 -15.744 7.706 -0.754 1.00 0.00 N ATOM 859 CA PHE A 58 -16.414 6.615 -0.060 1.00 0.00 C ATOM 860 C PHE A 58 -17.790 6.352 -0.669 1.00 0.00 C ATOM 861 O PHE A 58 -18.571 5.556 -0.145 1.00 0.00 O ATOM 862 CB PHE A 58 -16.512 6.969 1.417 1.00 0.00 C ATOM 863 CG PHE A 58 -15.143 7.113 2.030 1.00 0.00 C ATOM 864 CD1 PHE A 58 -14.490 5.979 2.529 1.00 0.00 C ATOM 865 CD2 PHE A 58 -14.521 8.365 2.078 1.00 0.00 C ATOM 866 CE1 PHE A 58 -13.207 6.095 3.077 1.00 0.00 C ATOM 867 CE2 PHE A 58 -13.236 8.484 2.630 1.00 0.00 C ATOM 868 CZ PHE A 58 -12.580 7.349 3.131 1.00 0.00 C ATOM 0 H PHE A 58 -16.268 8.581 -0.729 1.00 0.00 H new ATOM 0 HA PHE A 58 -15.840 5.695 -0.168 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -17.067 7.900 1.535 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -17.071 6.195 1.944 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -14.976 5.015 2.491 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -15.028 9.237 1.692 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -12.701 5.220 3.458 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -12.752 9.449 2.669 1.00 0.00 H new ATOM 0 HZ PHE A 58 -11.592 7.441 3.558 1.00 0.00 H new ATOM 878 N THR A 59 -18.080 7.027 -1.782 1.00 0.00 N ATOM 879 CA THR A 59 -19.348 6.920 -2.494 1.00 0.00 C ATOM 880 C THR A 59 -19.103 6.832 -4.004 1.00 0.00 C ATOM 881 O THR A 59 -17.963 6.927 -4.458 1.00 0.00 O ATOM 882 CB THR A 59 -20.249 8.100 -2.111 1.00 0.00 C ATOM 883 OG1 THR A 59 -21.527 7.954 -2.692 1.00 0.00 O ATOM 884 CG2 THR A 59 -19.654 9.439 -2.546 1.00 0.00 C ATOM 0 H THR A 59 -17.425 7.675 -2.220 1.00 0.00 H new ATOM 0 HA THR A 59 -19.863 6.004 -2.205 1.00 0.00 H new ATOM 0 HB THR A 59 -20.331 8.097 -1.024 1.00 0.00 H new ATOM 0 HG1 THR A 59 -22.091 8.714 -2.437 1.00 0.00 H new ATOM 0 HG21 THR A 59 -20.325 10.247 -2.255 1.00 0.00 H new ATOM 0 HG22 THR A 59 -18.686 9.580 -2.066 1.00 0.00 H new ATOM 0 HG23 THR A 59 -19.526 9.446 -3.628 1.00 0.00 H new ATOM 892 N ASP A 60 -20.173 6.651 -4.784 1.00 0.00 N ATOM 893 CA ASP A 60 -20.092 6.463 -6.229 1.00 0.00 C ATOM 894 C ASP A 60 -19.909 7.778 -6.985 1.00 0.00 C ATOM 895 O ASP A 60 -20.047 7.812 -8.208 1.00 0.00 O ATOM 896 CB ASP A 60 -21.329 5.705 -6.718 1.00 0.00 C ATOM 897 CG ASP A 60 -21.445 4.339 -6.046 1.00 0.00 C ATOM 898 OD1 ASP A 60 -20.679 3.430 -6.442 1.00 0.00 O ATOM 899 OD2 ASP A 60 -22.298 4.207 -5.140 1.00 0.00 O ATOM 0 H ASP A 60 -21.127 6.631 -4.423 1.00 0.00 H new ATOM 0 HA ASP A 60 -19.201 5.871 -6.440 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -22.224 6.292 -6.510 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -21.276 5.577 -7.799 1.00 0.00 H new ATOM 904 N GLU A 61 -19.602 8.862 -6.271 1.00 0.00 N ATOM 905 CA GLU A 61 -19.382 10.167 -6.871 1.00 0.00 C ATOM 906 C GLU A 61 -18.100 10.796 -6.329 1.00 0.00 C ATOM 907 O GLU A 61 -17.582 10.375 -5.293 1.00 0.00 O ATOM 908 CB GLU A 61 -20.582 11.075 -6.597 1.00 0.00 C ATOM 909 CG GLU A 61 -21.848 10.539 -7.265 1.00 0.00 C ATOM 910 CD GLU A 61 -23.021 11.496 -7.059 1.00 0.00 C ATOM 911 OE1 GLU A 61 -23.180 12.407 -7.900 1.00 0.00 O ATOM 912 OE2 GLU A 61 -23.751 11.309 -6.061 1.00 0.00 O ATOM 0 H GLU A 61 -19.500 8.853 -5.256 1.00 0.00 H new ATOM 0 HA GLU A 61 -19.272 10.045 -7.949 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -20.742 11.156 -5.522 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -20.372 12.080 -6.964 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -21.670 10.400 -8.331 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -22.095 9.561 -6.853 1.00 0.00 H new ATOM 919 N VAL A 62 -17.590 11.810 -7.038 1.00 0.00 N ATOM 920 CA VAL A 62 -16.366 12.518 -6.677 1.00 0.00 C ATOM 921 C VAL A 62 -16.565 14.018 -6.854 1.00 0.00 C ATOM 922 O VAL A 62 -16.890 14.430 -7.991 1.00 0.00 O ATOM 923 CB VAL A 62 -15.193 12.017 -7.528 1.00 0.00 C ATOM 924 CG1 VAL A 62 -13.907 12.740 -7.125 1.00 0.00 C ATOM 925 CG2 VAL A 62 -14.976 10.518 -7.333 1.00 0.00 C ATOM 0 H VAL A 62 -18.026 12.163 -7.890 1.00 0.00 H new ATOM 0 HA VAL A 62 -16.133 12.321 -5.630 1.00 0.00 H new ATOM 0 HB VAL A 62 -15.434 12.218 -8.572 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -13.079 12.378 -7.735 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -14.029 13.812 -7.279 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -13.695 12.546 -6.074 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -14.138 10.189 -7.948 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -14.758 10.315 -6.284 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -15.876 9.979 -7.627 1.00 0.00 H new TER 935 VAL A 62