USER MOD reduce.3.24.130724 H: found=0, std=0, add=458, rem=0, adj=16 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 -53:sc= 1.28 USER MOD Set 1.2: A 27 CYS SG : rot -68:sc= 0.14 USER MOD Set 2.1: A 12 SER OG : rot 180:sc= 0.534 USER MOD Set 2.2: A 15 GLN : amide:sc= -0.889 X(o=-0.36,f=0.1) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0467) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 77:sc= 0.894 USER MOD Single : A 23 SER OG : rot 99:sc= 1.23 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 74:sc= 1.4 USER MOD Single : A 34 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0303) USER MOD Single : A 35 TYR OH : rot 15:sc= -0.174 USER MOD Single : A 37 GLN : amide:sc= -0.532 X(o=-0.53,f=-0.51) USER MOD Single : A 39 ASN : amide:sc= 0.536 K(o=0.54,f=-0.84) USER MOD Single : A 40 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 42 ASN : amide:sc= 0.0961 K(o=0.096,f=-0.63) 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= 0.22 X(o=0.22,f=0) USER MOD Single : A 50 TYR OH : rot 180:sc=-0.00237 USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 171:sc= 1.29 (180deg=1.16) USER MOD Single : A 57 THR OG1 : rot -124:sc= 0.206 USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ILE A 6 18.712 -9.555 -3.458 1.00 0.00 N ATOM 2 CA ILE A 6 19.199 -9.513 -2.086 1.00 0.00 C ATOM 3 C ILE A 6 20.698 -9.219 -2.034 1.00 0.00 C ATOM 4 O ILE A 6 21.298 -9.271 -0.958 1.00 0.00 O ATOM 5 CB ILE A 6 18.858 -10.821 -1.357 1.00 0.00 C ATOM 6 CG1 ILE A 6 19.427 -12.032 -2.104 1.00 0.00 C ATOM 7 CG2 ILE A 6 17.337 -10.930 -1.202 1.00 0.00 C ATOM 8 CD1 ILE A 6 19.159 -13.337 -1.351 1.00 0.00 C ATOM 0 HA ILE A 6 18.695 -8.695 -1.571 1.00 0.00 H new ATOM 0 HB ILE A 6 19.316 -10.810 -0.368 1.00 0.00 H new ATOM 0 HG12 ILE A 6 18.984 -12.088 -3.098 1.00 0.00 H new ATOM 0 HG13 ILE A 6 20.501 -11.904 -2.240 1.00 0.00 H new ATOM 0 HG21 ILE A 6 17.089 -11.857 -0.685 1.00 0.00 H new ATOM 0 HG22 ILE A 6 16.969 -10.083 -0.624 1.00 0.00 H new ATOM 0 HG23 ILE A 6 16.870 -10.928 -2.187 1.00 0.00 H new ATOM 0 HD11 ILE A 6 19.577 -14.173 -1.912 1.00 0.00 H new ATOM 0 HD12 ILE A 6 19.625 -13.291 -0.366 1.00 0.00 H new ATOM 0 HD13 ILE A 6 18.084 -13.478 -1.238 1.00 0.00 H new ATOM 19 N LYS A 7 21.305 -8.913 -3.185 1.00 0.00 N ATOM 20 CA LYS A 7 22.734 -8.623 -3.282 1.00 0.00 C ATOM 21 C LYS A 7 22.982 -7.238 -3.880 1.00 0.00 C ATOM 22 O LYS A 7 24.126 -6.874 -4.139 1.00 0.00 O ATOM 23 CB LYS A 7 23.425 -9.721 -4.097 1.00 0.00 C ATOM 24 CG LYS A 7 23.263 -11.107 -3.470 1.00 0.00 C ATOM 25 CD LYS A 7 23.945 -11.229 -2.103 1.00 0.00 C ATOM 26 CE LYS A 7 25.450 -10.979 -2.214 1.00 0.00 C ATOM 27 NZ LYS A 7 26.117 -11.152 -0.910 1.00 0.00 N ATOM 0 H LYS A 7 20.814 -8.860 -4.078 1.00 0.00 H new ATOM 0 HA LYS A 7 23.161 -8.612 -2.279 1.00 0.00 H new ATOM 0 HB2 LYS A 7 23.014 -9.732 -5.107 1.00 0.00 H new ATOM 0 HB3 LYS A 7 24.486 -9.489 -4.187 1.00 0.00 H new ATOM 0 HG2 LYS A 7 22.201 -11.329 -3.361 1.00 0.00 H new ATOM 0 HG3 LYS A 7 23.678 -11.856 -4.145 1.00 0.00 H new ATOM 0 HD2 LYS A 7 23.505 -10.514 -1.408 1.00 0.00 H new ATOM 0 HD3 LYS A 7 23.768 -12.223 -1.692 1.00 0.00 H new ATOM 0 HE2 LYS A 7 25.883 -11.666 -2.941 1.00 0.00 H new ATOM 0 HE3 LYS A 7 25.627 -9.970 -2.585 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 27.137 -10.976 -1.016 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 25.719 -10.479 -0.224 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 25.967 -12.123 -0.569 1.00 0.00 H new ATOM 41 N ARG A 8 21.914 -6.467 -4.100 1.00 0.00 N ATOM 42 CA ARG A 8 22.006 -5.118 -4.650 1.00 0.00 C ATOM 43 C ARG A 8 22.584 -4.143 -3.626 1.00 0.00 C ATOM 44 O ARG A 8 22.317 -4.256 -2.430 1.00 0.00 O ATOM 45 CB ARG A 8 20.653 -4.651 -5.206 1.00 0.00 C ATOM 46 CG ARG A 8 19.418 -5.181 -4.458 1.00 0.00 C ATOM 47 CD ARG A 8 19.388 -4.817 -2.979 1.00 0.00 C ATOM 48 NE ARG A 8 18.132 -5.267 -2.366 1.00 0.00 N ATOM 49 CZ ARG A 8 17.972 -5.519 -1.064 1.00 0.00 C ATOM 50 NH1 ARG A 8 18.972 -5.342 -0.205 1.00 0.00 N ATOM 51 NH2 ARG A 8 16.797 -5.948 -0.625 1.00 0.00 N ATOM 0 H ARG A 8 20.959 -6.765 -3.900 1.00 0.00 H new ATOM 0 HA ARG A 8 22.700 -5.140 -5.490 1.00 0.00 H new ATOM 0 HB2 ARG A 8 20.628 -3.561 -5.189 1.00 0.00 H new ATOM 0 HB3 ARG A 8 20.583 -4.955 -6.250 1.00 0.00 H new ATOM 0 HG2 ARG A 8 18.520 -4.790 -4.937 1.00 0.00 H new ATOM 0 HG3 ARG A 8 19.384 -6.266 -4.556 1.00 0.00 H new ATOM 0 HD2 ARG A 8 20.234 -5.276 -2.468 1.00 0.00 H new ATOM 0 HD3 ARG A 8 19.491 -3.738 -2.861 1.00 0.00 H new ATOM 0 HE ARG A 8 17.325 -5.396 -2.977 1.00 0.00 H new ATOM 0 HH11 ARG A 8 19.877 -5.009 -0.537 1.00 0.00 H new ATOM 0 HH12 ARG A 8 18.834 -5.539 0.786 1.00 0.00 H new ATOM 0 HH21 ARG A 8 16.026 -6.083 -1.279 1.00 0.00 H new ATOM 0 HH22 ARG A 8 16.664 -6.144 0.367 1.00 0.00 H new ATOM 65 N LYS A 9 23.375 -3.181 -4.108 1.00 0.00 N ATOM 66 CA LYS A 9 24.062 -2.195 -3.286 1.00 0.00 C ATOM 67 C LYS A 9 23.504 -0.787 -3.479 1.00 0.00 C ATOM 68 O LYS A 9 24.128 0.186 -3.064 1.00 0.00 O ATOM 69 CB LYS A 9 25.545 -2.266 -3.623 1.00 0.00 C ATOM 70 CG LYS A 9 26.073 -3.675 -3.353 1.00 0.00 C ATOM 71 CD LYS A 9 27.454 -3.775 -3.979 1.00 0.00 C ATOM 72 CE LYS A 9 28.148 -5.076 -3.572 1.00 0.00 C ATOM 73 NZ LYS A 9 27.425 -6.254 -4.087 1.00 0.00 N ATOM 0 H LYS A 9 23.557 -3.068 -5.105 1.00 0.00 H new ATOM 0 HA LYS A 9 23.904 -2.424 -2.232 1.00 0.00 H new ATOM 0 HB2 LYS A 9 25.702 -2.004 -4.669 1.00 0.00 H new ATOM 0 HB3 LYS A 9 26.098 -1.541 -3.026 1.00 0.00 H new ATOM 0 HG2 LYS A 9 26.124 -3.866 -2.281 1.00 0.00 H new ATOM 0 HG3 LYS A 9 25.404 -4.423 -3.779 1.00 0.00 H new ATOM 0 HD2 LYS A 9 27.369 -3.728 -5.065 1.00 0.00 H new ATOM 0 HD3 LYS A 9 28.060 -2.923 -3.670 1.00 0.00 H new ATOM 0 HE2 LYS A 9 29.170 -5.079 -3.951 1.00 0.00 H new ATOM 0 HE3 LYS A 9 28.211 -5.132 -2.485 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 27.956 -7.117 -3.853 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 26.481 -6.299 -3.652 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 27.327 -6.177 -5.120 1.00 0.00 H new ATOM 87 N ASP A 10 22.335 -0.683 -4.110 1.00 0.00 N ATOM 88 CA ASP A 10 21.701 0.599 -4.377 1.00 0.00 C ATOM 89 C ASP A 10 20.191 0.531 -4.135 1.00 0.00 C ATOM 90 O ASP A 10 19.436 1.382 -4.602 1.00 0.00 O ATOM 91 CB ASP A 10 22.048 1.048 -5.801 1.00 0.00 C ATOM 92 CG ASP A 10 21.605 2.480 -6.083 1.00 0.00 C ATOM 93 OD1 ASP A 10 21.919 3.362 -5.252 1.00 0.00 O ATOM 94 OD2 ASP A 10 20.955 2.687 -7.135 1.00 0.00 O ATOM 0 H ASP A 10 21.805 -1.486 -4.448 1.00 0.00 H new ATOM 0 HA ASP A 10 22.084 1.347 -3.683 1.00 0.00 H new ATOM 0 HB2 ASP A 10 23.124 0.967 -5.952 1.00 0.00 H new ATOM 0 HB3 ASP A 10 21.574 0.376 -6.517 1.00 0.00 H new ATOM 99 N ALA A 11 19.743 -0.492 -3.402 1.00 0.00 N ATOM 100 CA ALA A 11 18.337 -0.707 -3.097 1.00 0.00 C ATOM 101 C ALA A 11 18.189 -1.370 -1.727 1.00 0.00 C ATOM 102 O ALA A 11 19.176 -1.794 -1.125 1.00 0.00 O ATOM 103 CB ALA A 11 17.712 -1.568 -4.195 1.00 0.00 C ATOM 0 H ALA A 11 20.359 -1.200 -3.002 1.00 0.00 H new ATOM 0 HA ALA A 11 17.817 0.250 -3.061 1.00 0.00 H new ATOM 0 HB1 ALA A 11 16.658 -1.733 -3.972 1.00 0.00 H new ATOM 0 HB2 ALA A 11 17.805 -1.058 -5.154 1.00 0.00 H new ATOM 0 HB3 ALA A 11 18.227 -2.527 -4.243 1.00 0.00 H new ATOM 109 N SER A 12 16.952 -1.456 -1.232 1.00 0.00 N ATOM 110 CA SER A 12 16.653 -2.036 0.069 1.00 0.00 C ATOM 111 C SER A 12 15.370 -2.856 -0.024 1.00 0.00 C ATOM 112 O SER A 12 14.651 -2.747 -1.016 1.00 0.00 O ATOM 113 CB SER A 12 16.543 -0.916 1.106 1.00 0.00 C ATOM 114 OG SER A 12 15.202 -0.535 1.316 1.00 0.00 O ATOM 0 H SER A 12 16.127 -1.121 -1.730 1.00 0.00 H new ATOM 0 HA SER A 12 17.453 -2.706 0.383 1.00 0.00 H new ATOM 0 HB2 SER A 12 16.980 -1.247 2.048 1.00 0.00 H new ATOM 0 HB3 SER A 12 17.120 -0.053 0.773 1.00 0.00 H new ATOM 0 HG SER A 12 15.166 0.181 1.984 1.00 0.00 H new ATOM 120 N PRO A 13 15.055 -3.675 0.983 1.00 0.00 N ATOM 121 CA PRO A 13 13.901 -4.561 0.952 1.00 0.00 C ATOM 122 C PRO A 13 12.632 -3.739 1.067 1.00 0.00 C ATOM 123 O PRO A 13 11.578 -4.127 0.567 1.00 0.00 O ATOM 124 CB PRO A 13 14.058 -5.429 2.197 1.00 0.00 C ATOM 125 CG PRO A 13 14.756 -4.472 3.166 1.00 0.00 C ATOM 126 CD PRO A 13 15.762 -3.793 2.241 1.00 0.00 C ATOM 0 HA PRO A 13 13.842 -5.146 0.034 1.00 0.00 H new ATOM 0 HB2 PRO A 13 13.096 -5.769 2.581 1.00 0.00 H new ATOM 0 HB3 PRO A 13 14.656 -6.319 2.001 1.00 0.00 H new ATOM 0 HG2 PRO A 13 14.062 -3.760 3.612 1.00 0.00 H new ATOM 0 HG3 PRO A 13 15.243 -5.000 3.986 1.00 0.00 H new ATOM 0 HD2 PRO A 13 16.061 -2.817 2.624 1.00 0.00 H new ATOM 0 HD3 PRO A 13 16.670 -4.386 2.135 1.00 0.00 H new ATOM 134 N GLU A 14 12.747 -2.593 1.737 1.00 0.00 N ATOM 135 CA GLU A 14 11.653 -1.663 1.880 1.00 0.00 C ATOM 136 C GLU A 14 11.485 -0.908 0.568 1.00 0.00 C ATOM 137 O GLU A 14 10.369 -0.582 0.183 1.00 0.00 O ATOM 138 CB GLU A 14 11.962 -0.705 3.029 1.00 0.00 C ATOM 139 CG GLU A 14 11.995 -1.414 4.382 1.00 0.00 C ATOM 140 CD GLU A 14 12.243 -0.430 5.525 1.00 0.00 C ATOM 141 OE1 GLU A 14 12.091 0.792 5.296 1.00 0.00 O ATOM 142 OE2 GLU A 14 12.586 -0.909 6.626 1.00 0.00 O ATOM 0 H GLU A 14 13.608 -2.292 2.193 1.00 0.00 H new ATOM 0 HA GLU A 14 10.724 -2.186 2.108 1.00 0.00 H new ATOM 0 HB2 GLU A 14 12.924 -0.224 2.850 1.00 0.00 H new ATOM 0 HB3 GLU A 14 11.211 0.084 3.053 1.00 0.00 H new ATOM 0 HG2 GLU A 14 11.050 -1.932 4.545 1.00 0.00 H new ATOM 0 HG3 GLU A 14 12.778 -2.172 4.377 1.00 0.00 H new ATOM 149 N GLN A 15 12.589 -0.630 -0.132 1.00 0.00 N ATOM 150 CA GLN A 15 12.554 0.100 -1.391 1.00 0.00 C ATOM 151 C GLN A 15 11.901 -0.737 -2.477 1.00 0.00 C ATOM 152 O GLN A 15 11.295 -0.208 -3.407 1.00 0.00 O ATOM 153 CB GLN A 15 13.985 0.461 -1.787 1.00 0.00 C ATOM 154 CG GLN A 15 14.088 1.974 -1.961 1.00 0.00 C ATOM 155 CD GLN A 15 13.575 2.666 -0.706 1.00 0.00 C ATOM 156 OE1 GLN A 15 12.882 3.677 -0.774 1.00 0.00 O ATOM 157 NE2 GLN A 15 13.914 2.112 0.457 1.00 0.00 N ATOM 0 H GLN A 15 13.526 -0.906 0.162 1.00 0.00 H new ATOM 0 HA GLN A 15 11.964 1.008 -1.269 1.00 0.00 H new ATOM 0 HB2 GLN A 15 14.684 0.122 -1.022 1.00 0.00 H new ATOM 0 HB3 GLN A 15 14.257 -0.044 -2.714 1.00 0.00 H new ATOM 0 HG2 GLN A 15 15.123 2.259 -2.149 1.00 0.00 H new ATOM 0 HG3 GLN A 15 13.507 2.291 -2.827 1.00 0.00 H new ATOM 0 HE21 GLN A 15 14.492 1.271 0.472 1.00 0.00 H new ATOM 0 HE22 GLN A 15 13.596 2.528 1.332 1.00 0.00 H new ATOM 166 N GLU A 16 12.027 -2.054 -2.346 1.00 0.00 N ATOM 167 CA GLU A 16 11.465 -2.974 -3.325 1.00 0.00 C ATOM 168 C GLU A 16 9.957 -3.126 -3.141 1.00 0.00 C ATOM 169 O GLU A 16 9.287 -3.729 -3.980 1.00 0.00 O ATOM 170 CB GLU A 16 12.168 -4.329 -3.229 1.00 0.00 C ATOM 171 CG GLU A 16 13.600 -4.195 -3.739 1.00 0.00 C ATOM 172 CD GLU A 16 14.336 -5.532 -3.694 1.00 0.00 C ATOM 173 OE1 GLU A 16 14.886 -5.854 -2.618 1.00 0.00 O ATOM 174 OE2 GLU A 16 14.343 -6.223 -4.739 1.00 0.00 O ATOM 0 H GLU A 16 12.513 -2.506 -1.572 1.00 0.00 H new ATOM 0 HA GLU A 16 11.630 -2.562 -4.321 1.00 0.00 H new ATOM 0 HB2 GLU A 16 12.169 -4.678 -2.196 1.00 0.00 H new ATOM 0 HB3 GLU A 16 11.629 -5.073 -3.816 1.00 0.00 H new ATOM 0 HG2 GLU A 16 13.590 -3.818 -4.762 1.00 0.00 H new ATOM 0 HG3 GLU A 16 14.136 -3.463 -3.135 1.00 0.00 H new ATOM 181 N ALA A 17 9.427 -2.576 -2.047 1.00 0.00 N ATOM 182 CA ALA A 17 7.993 -2.561 -1.787 1.00 0.00 C ATOM 183 C ALA A 17 7.439 -1.136 -1.767 1.00 0.00 C ATOM 184 O ALA A 17 6.252 -0.936 -2.016 1.00 0.00 O ATOM 185 CB ALA A 17 7.728 -3.270 -0.458 1.00 0.00 C ATOM 0 H ALA A 17 9.983 -2.129 -1.318 1.00 0.00 H new ATOM 0 HA ALA A 17 7.480 -3.086 -2.593 1.00 0.00 H new ATOM 0 HB1 ALA A 17 6.658 -3.266 -0.251 1.00 0.00 H new ATOM 0 HB2 ALA A 17 8.082 -4.299 -0.518 1.00 0.00 H new ATOM 0 HB3 ALA A 17 8.255 -2.751 0.343 1.00 0.00 H new ATOM 191 N ILE A 18 8.284 -0.144 -1.475 1.00 0.00 N ATOM 192 CA ILE A 18 7.858 1.245 -1.387 1.00 0.00 C ATOM 193 C ILE A 18 7.802 1.876 -2.776 1.00 0.00 C ATOM 194 O ILE A 18 6.976 2.759 -3.008 1.00 0.00 O ATOM 195 CB ILE A 18 8.795 2.006 -0.435 1.00 0.00 C ATOM 196 CG1 ILE A 18 8.498 1.576 1.009 1.00 0.00 C ATOM 197 CG2 ILE A 18 8.628 3.523 -0.570 1.00 0.00 C ATOM 198 CD1 ILE A 18 9.585 2.050 1.980 1.00 0.00 C ATOM 0 H ILE A 18 9.278 -0.286 -1.294 1.00 0.00 H new ATOM 0 HA ILE A 18 6.849 1.299 -0.978 1.00 0.00 H new ATOM 0 HB ILE A 18 9.825 1.763 -0.698 1.00 0.00 H new ATOM 0 HG12 ILE A 18 7.534 1.980 1.317 1.00 0.00 H new ATOM 0 HG13 ILE A 18 8.418 0.490 1.055 1.00 0.00 H new ATOM 0 HG21 ILE A 18 9.307 4.026 0.119 1.00 0.00 H new ATOM 0 HG22 ILE A 18 8.858 3.825 -1.592 1.00 0.00 H new ATOM 0 HG23 ILE A 18 7.600 3.798 -0.333 1.00 0.00 H new ATOM 0 HD11 ILE A 18 9.337 1.725 2.991 1.00 0.00 H new ATOM 0 HD12 ILE A 18 10.545 1.624 1.687 1.00 0.00 H new ATOM 0 HD13 ILE A 18 9.647 3.138 1.954 1.00 0.00 H new ATOM 210 N GLU A 19 8.656 1.452 -3.712 1.00 0.00 N ATOM 211 CA GLU A 19 8.628 2.049 -5.037 1.00 0.00 C ATOM 212 C GLU A 19 7.365 1.636 -5.788 1.00 0.00 C ATOM 213 O GLU A 19 6.846 2.419 -6.578 1.00 0.00 O ATOM 214 CB GLU A 19 9.883 1.665 -5.823 1.00 0.00 C ATOM 215 CG GLU A 19 11.100 2.422 -5.285 1.00 0.00 C ATOM 216 CD GLU A 19 12.349 2.101 -6.104 1.00 0.00 C ATOM 217 OE1 GLU A 19 12.422 2.583 -7.258 1.00 0.00 O ATOM 218 OE2 GLU A 19 13.224 1.381 -5.577 1.00 0.00 O ATOM 0 H GLU A 19 9.353 0.720 -3.578 1.00 0.00 H new ATOM 0 HA GLU A 19 8.614 3.133 -4.927 1.00 0.00 H new ATOM 0 HB2 GLU A 19 10.052 0.591 -5.748 1.00 0.00 H new ATOM 0 HB3 GLU A 19 9.742 1.893 -6.880 1.00 0.00 H new ATOM 0 HG2 GLU A 19 10.908 3.495 -5.313 1.00 0.00 H new ATOM 0 HG3 GLU A 19 11.267 2.156 -4.241 1.00 0.00 H new ATOM 225 N SER A 20 6.862 0.420 -5.550 1.00 0.00 N ATOM 226 CA SER A 20 5.665 -0.075 -6.209 1.00 0.00 C ATOM 227 C SER A 20 4.404 0.475 -5.554 1.00 0.00 C ATOM 228 O SER A 20 3.349 0.507 -6.183 1.00 0.00 O ATOM 229 CB SER A 20 5.683 -1.594 -6.119 1.00 0.00 C ATOM 230 OG SER A 20 6.798 -2.105 -6.820 1.00 0.00 O ATOM 0 H SER A 20 7.278 -0.242 -4.895 1.00 0.00 H new ATOM 0 HA SER A 20 5.656 0.252 -7.249 1.00 0.00 H new ATOM 0 HB2 SER A 20 5.726 -1.904 -5.075 1.00 0.00 H new ATOM 0 HB3 SER A 20 4.762 -2.002 -6.536 1.00 0.00 H new ATOM 0 HG SER A 20 6.804 -3.083 -6.756 1.00 0.00 H new ATOM 236 N PHE A 21 4.501 0.912 -4.296 1.00 0.00 N ATOM 237 CA PHE A 21 3.376 1.504 -3.587 1.00 0.00 C ATOM 238 C PHE A 21 3.127 2.909 -4.119 1.00 0.00 C ATOM 239 O PHE A 21 1.994 3.280 -4.415 1.00 0.00 O ATOM 240 CB PHE A 21 3.721 1.554 -2.100 1.00 0.00 C ATOM 241 CG PHE A 21 2.569 1.897 -1.177 1.00 0.00 C ATOM 242 CD1 PHE A 21 2.060 3.203 -1.133 1.00 0.00 C ATOM 243 CD2 PHE A 21 2.011 0.911 -0.347 1.00 0.00 C ATOM 244 CE1 PHE A 21 0.963 3.506 -0.312 1.00 0.00 C ATOM 245 CE2 PHE A 21 0.915 1.211 0.473 1.00 0.00 C ATOM 246 CZ PHE A 21 0.385 2.506 0.485 1.00 0.00 C ATOM 0 H PHE A 21 5.359 0.864 -3.747 1.00 0.00 H new ATOM 0 HA PHE A 21 2.473 0.911 -3.735 1.00 0.00 H new ATOM 0 HB2 PHE A 21 4.125 0.585 -1.805 1.00 0.00 H new ATOM 0 HB3 PHE A 21 4.513 2.288 -1.953 1.00 0.00 H new ATOM 0 HD1 PHE A 21 2.514 3.978 -1.733 1.00 0.00 H new ATOM 0 HD2 PHE A 21 2.429 -0.085 -0.341 1.00 0.00 H new ATOM 0 HE1 PHE A 21 0.563 4.509 -0.294 1.00 0.00 H new ATOM 0 HE2 PHE A 21 0.480 0.443 1.095 1.00 0.00 H new ATOM 0 HZ PHE A 21 -0.468 2.736 1.107 1.00 0.00 H new ATOM 256 N THR A 22 4.205 3.685 -4.240 1.00 0.00 N ATOM 257 CA THR A 22 4.168 5.048 -4.755 1.00 0.00 C ATOM 258 C THR A 22 3.964 5.044 -6.270 1.00 0.00 C ATOM 259 O THR A 22 3.796 6.101 -6.877 1.00 0.00 O ATOM 260 CB THR A 22 5.486 5.758 -4.442 1.00 0.00 C ATOM 261 OG1 THR A 22 6.051 5.290 -3.234 1.00 0.00 O ATOM 262 CG2 THR A 22 5.271 7.260 -4.265 1.00 0.00 C ATOM 0 H THR A 22 5.141 3.376 -3.978 1.00 0.00 H new ATOM 0 HA THR A 22 3.338 5.569 -4.278 1.00 0.00 H new ATOM 0 HB THR A 22 6.148 5.552 -5.283 1.00 0.00 H new ATOM 0 HG1 THR A 22 6.469 4.416 -3.385 1.00 0.00 H new ATOM 0 HG21 THR A 22 6.224 7.740 -4.043 1.00 0.00 H new ATOM 0 HG22 THR A 22 4.858 7.679 -5.183 1.00 0.00 H new ATOM 0 HG23 THR A 22 4.577 7.434 -3.443 1.00 0.00 H new ATOM 270 N SER A 23 3.981 3.860 -6.890 1.00 0.00 N ATOM 271 CA SER A 23 3.717 3.742 -8.315 1.00 0.00 C ATOM 272 C SER A 23 2.228 3.549 -8.574 1.00 0.00 C ATOM 273 O SER A 23 1.762 3.759 -9.694 1.00 0.00 O ATOM 274 CB SER A 23 4.469 2.554 -8.895 1.00 0.00 C ATOM 275 OG SER A 23 5.858 2.793 -8.924 1.00 0.00 O ATOM 0 H SER A 23 4.175 2.975 -6.422 1.00 0.00 H new ATOM 0 HA SER A 23 4.053 4.663 -8.792 1.00 0.00 H new ATOM 0 HB2 SER A 23 4.263 1.664 -8.300 1.00 0.00 H new ATOM 0 HB3 SER A 23 4.111 2.352 -9.905 1.00 0.00 H new ATOM 0 HG SER A 23 6.281 2.360 -8.153 1.00 0.00 H new ATOM 281 N LEU A 24 1.489 3.149 -7.538 1.00 0.00 N ATOM 282 CA LEU A 24 0.066 2.865 -7.631 1.00 0.00 C ATOM 283 C LEU A 24 -0.740 3.851 -6.795 1.00 0.00 C ATOM 284 O LEU A 24 -1.956 3.941 -6.942 1.00 0.00 O ATOM 285 CB LEU A 24 -0.172 1.432 -7.167 1.00 0.00 C ATOM 286 CG LEU A 24 0.433 0.402 -8.130 1.00 0.00 C ATOM 287 CD1 LEU A 24 0.251 -0.999 -7.554 1.00 0.00 C ATOM 288 CD2 LEU A 24 -0.240 0.450 -9.503 1.00 0.00 C ATOM 0 H LEU A 24 1.871 3.013 -6.602 1.00 0.00 H new ATOM 0 HA LEU A 24 -0.265 2.974 -8.664 1.00 0.00 H new ATOM 0 HB2 LEU A 24 0.260 1.297 -6.175 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -1.244 1.255 -7.075 1.00 0.00 H new ATOM 0 HG LEU A 24 1.490 0.641 -8.249 1.00 0.00 H new ATOM 0 HD11 LEU A 24 0.680 -1.732 -8.237 1.00 0.00 H new ATOM 0 HD12 LEU A 24 0.754 -1.064 -6.589 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -0.812 -1.204 -7.424 1.00 0.00 H new ATOM 0 HD21 LEU A 24 0.215 -0.293 -10.157 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -1.303 0.236 -9.395 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -0.112 1.442 -9.936 1.00 0.00 H new ATOM 300 N THR A 25 -0.061 4.591 -5.917 1.00 0.00 N ATOM 301 CA THR A 25 -0.654 5.673 -5.152 1.00 0.00 C ATOM 302 C THR A 25 0.239 6.898 -5.316 1.00 0.00 C ATOM 303 O THR A 25 1.423 6.761 -5.616 1.00 0.00 O ATOM 304 CB THR A 25 -0.811 5.297 -3.676 1.00 0.00 C ATOM 305 OG1 THR A 25 0.457 5.080 -3.101 1.00 0.00 O ATOM 306 CG2 THR A 25 -1.660 4.038 -3.510 1.00 0.00 C ATOM 0 H THR A 25 0.929 4.448 -5.719 1.00 0.00 H new ATOM 0 HA THR A 25 -1.657 5.884 -5.523 1.00 0.00 H new ATOM 0 HB THR A 25 -1.314 6.122 -3.172 1.00 0.00 H new ATOM 0 HG1 THR A 25 0.954 4.430 -3.641 1.00 0.00 H new ATOM 0 HG21 THR A 25 -1.752 3.798 -2.451 1.00 0.00 H new ATOM 0 HG22 THR A 25 -2.651 4.209 -3.931 1.00 0.00 H new ATOM 0 HG23 THR A 25 -1.184 3.207 -4.030 1.00 0.00 H new ATOM 314 N LYS A 26 -0.311 8.098 -5.126 1.00 0.00 N ATOM 315 CA LYS A 26 0.412 9.337 -5.396 1.00 0.00 C ATOM 316 C LYS A 26 0.762 10.091 -4.119 1.00 0.00 C ATOM 317 O LYS A 26 0.920 11.310 -4.138 1.00 0.00 O ATOM 318 CB LYS A 26 -0.353 10.189 -6.415 1.00 0.00 C ATOM 319 CG LYS A 26 -0.577 9.428 -7.732 1.00 0.00 C ATOM 320 CD LYS A 26 0.725 8.908 -8.360 1.00 0.00 C ATOM 321 CE LYS A 26 1.697 10.057 -8.629 1.00 0.00 C ATOM 322 NZ LYS A 26 2.946 9.568 -9.242 1.00 0.00 N ATOM 0 H LYS A 26 -1.262 8.236 -4.784 1.00 0.00 H new ATOM 0 HA LYS A 26 1.372 9.084 -5.846 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -1.315 10.483 -5.995 1.00 0.00 H new ATOM 0 HB3 LYS A 26 0.202 11.106 -6.613 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -1.246 8.587 -7.549 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -1.079 10.085 -8.443 1.00 0.00 H new ATOM 0 HD2 LYS A 26 1.190 8.181 -7.694 1.00 0.00 H new ATOM 0 HD3 LYS A 26 0.502 8.389 -9.292 1.00 0.00 H new ATOM 0 HE2 LYS A 26 1.227 10.787 -9.288 1.00 0.00 H new ATOM 0 HE3 LYS A 26 1.924 10.571 -7.695 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 3.586 10.370 -9.413 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 3.405 8.889 -8.601 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 2.729 9.099 -10.145 1.00 0.00 H new ATOM 336 N CYS A 27 0.883 9.363 -3.007 1.00 0.00 N ATOM 337 CA CYS A 27 1.314 9.927 -1.738 1.00 0.00 C ATOM 338 C CYS A 27 2.839 9.868 -1.646 1.00 0.00 C ATOM 339 O CYS A 27 3.496 9.401 -2.576 1.00 0.00 O ATOM 340 CB CYS A 27 0.642 9.164 -0.595 1.00 0.00 C ATOM 341 SG CYS A 27 1.132 7.420 -0.647 1.00 0.00 S ATOM 0 H CYS A 27 0.683 8.364 -2.967 1.00 0.00 H new ATOM 0 HA CYS A 27 1.018 10.973 -1.664 1.00 0.00 H new ATOM 0 HB2 CYS A 27 0.925 9.602 0.362 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -0.442 9.249 -0.677 1.00 0.00 H new ATOM 0 HG CYS A 27 0.629 6.859 -1.706 1.00 0.00 H new ATOM 347 N ASP A 28 3.412 10.339 -0.535 1.00 0.00 N ATOM 348 CA ASP A 28 4.846 10.280 -0.327 1.00 0.00 C ATOM 349 C ASP A 28 5.282 8.840 -0.045 1.00 0.00 C ATOM 350 O ASP A 28 4.492 8.045 0.465 1.00 0.00 O ATOM 351 CB ASP A 28 5.202 11.187 0.845 1.00 0.00 C ATOM 352 CG ASP A 28 4.862 12.646 0.548 1.00 0.00 C ATOM 353 OD1 ASP A 28 5.657 13.285 -0.179 1.00 0.00 O ATOM 354 OD2 ASP A 28 3.814 13.110 1.049 1.00 0.00 O ATOM 0 H ASP A 28 2.894 10.766 0.233 1.00 0.00 H new ATOM 0 HA ASP A 28 5.367 10.617 -1.223 1.00 0.00 H new ATOM 0 HB2 ASP A 28 4.664 10.861 1.735 1.00 0.00 H new ATOM 0 HB3 ASP A 28 6.266 11.098 1.065 1.00 0.00 H new ATOM 359 N PRO A 29 6.533 8.483 -0.364 1.00 0.00 N ATOM 360 CA PRO A 29 7.064 7.147 -0.145 1.00 0.00 C ATOM 361 C PRO A 29 7.028 6.770 1.323 1.00 0.00 C ATOM 362 O PRO A 29 6.937 5.596 1.680 1.00 0.00 O ATOM 363 CB PRO A 29 8.530 7.239 -0.576 1.00 0.00 C ATOM 364 CG PRO A 29 8.526 8.359 -1.613 1.00 0.00 C ATOM 365 CD PRO A 29 7.537 9.332 -0.974 1.00 0.00 C ATOM 0 HA PRO A 29 6.484 6.403 -0.691 1.00 0.00 H new ATOM 0 HB2 PRO A 29 9.182 7.473 0.266 1.00 0.00 H new ATOM 0 HB3 PRO A 29 8.883 6.300 -1.001 1.00 0.00 H new ATOM 0 HG2 PRO A 29 9.513 8.801 -1.748 1.00 0.00 H new ATOM 0 HG3 PRO A 29 8.194 8.015 -2.593 1.00 0.00 H new ATOM 0 HD2 PRO A 29 8.025 9.964 -0.233 1.00 0.00 H new ATOM 0 HD3 PRO A 29 7.096 9.996 -1.718 1.00 0.00 H new ATOM 373 N LYS A 30 7.103 7.793 2.177 1.00 0.00 N ATOM 374 CA LYS A 30 7.189 7.635 3.608 1.00 0.00 C ATOM 375 C LYS A 30 5.882 7.116 4.211 1.00 0.00 C ATOM 376 O LYS A 30 5.865 6.667 5.355 1.00 0.00 O ATOM 377 CB LYS A 30 7.576 8.989 4.170 1.00 0.00 C ATOM 378 CG LYS A 30 9.013 9.278 3.739 1.00 0.00 C ATOM 379 CD LYS A 30 9.472 10.506 4.491 1.00 0.00 C ATOM 380 CE LYS A 30 10.926 10.839 4.154 1.00 0.00 C ATOM 381 NZ LYS A 30 11.384 12.034 4.888 1.00 0.00 N ATOM 0 H LYS A 30 7.105 8.767 1.875 1.00 0.00 H new ATOM 0 HA LYS A 30 7.935 6.883 3.866 1.00 0.00 H new ATOM 0 HB2 LYS A 30 6.903 9.763 3.801 1.00 0.00 H new ATOM 0 HB3 LYS A 30 7.496 8.989 5.257 1.00 0.00 H new ATOM 0 HG2 LYS A 30 9.659 8.428 3.961 1.00 0.00 H new ATOM 0 HG3 LYS A 30 9.065 9.445 2.663 1.00 0.00 H new ATOM 0 HD2 LYS A 30 8.833 11.352 4.239 1.00 0.00 H new ATOM 0 HD3 LYS A 30 9.372 10.339 5.564 1.00 0.00 H new ATOM 0 HE2 LYS A 30 11.563 9.990 4.402 1.00 0.00 H new ATOM 0 HE3 LYS A 30 11.024 11.008 3.082 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 12.374 12.236 4.640 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 10.790 12.848 4.631 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 11.312 11.862 5.911 1.00 0.00 H new ATOM 395 N VAL A 31 4.786 7.175 3.449 1.00 0.00 N ATOM 396 CA VAL A 31 3.491 6.666 3.886 1.00 0.00 C ATOM 397 C VAL A 31 3.393 5.176 3.578 1.00 0.00 C ATOM 398 O VAL A 31 2.668 4.450 4.252 1.00 0.00 O ATOM 399 CB VAL A 31 2.372 7.450 3.191 1.00 0.00 C ATOM 400 CG1 VAL A 31 0.997 6.976 3.666 1.00 0.00 C ATOM 401 CG2 VAL A 31 2.495 8.939 3.516 1.00 0.00 C ATOM 0 H VAL A 31 4.776 7.578 2.512 1.00 0.00 H new ATOM 0 HA VAL A 31 3.385 6.798 4.963 1.00 0.00 H new ATOM 0 HB VAL A 31 2.469 7.282 2.118 1.00 0.00 H new ATOM 0 HG11 VAL A 31 0.220 7.547 3.158 1.00 0.00 H new ATOM 0 HG12 VAL A 31 0.878 5.917 3.436 1.00 0.00 H new ATOM 0 HG13 VAL A 31 0.913 7.125 4.742 1.00 0.00 H new ATOM 0 HG21 VAL A 31 1.696 9.487 3.018 1.00 0.00 H new ATOM 0 HG22 VAL A 31 2.417 9.084 4.594 1.00 0.00 H new ATOM 0 HG23 VAL A 31 3.460 9.309 3.169 1.00 0.00 H new ATOM 411 N SER A 32 4.122 4.708 2.562 1.00 0.00 N ATOM 412 CA SER A 32 4.101 3.301 2.197 1.00 0.00 C ATOM 413 C SER A 32 4.788 2.465 3.265 1.00 0.00 C ATOM 414 O SER A 32 4.300 1.399 3.637 1.00 0.00 O ATOM 415 CB SER A 32 4.807 3.114 0.862 1.00 0.00 C ATOM 416 OG SER A 32 4.909 1.739 0.584 1.00 0.00 O ATOM 0 H SER A 32 4.731 5.286 1.983 1.00 0.00 H new ATOM 0 HA SER A 32 3.065 2.972 2.112 1.00 0.00 H new ATOM 0 HB2 SER A 32 4.253 3.618 0.070 1.00 0.00 H new ATOM 0 HB3 SER A 32 5.798 3.566 0.894 1.00 0.00 H new ATOM 0 HG SER A 32 4.032 1.393 0.317 1.00 0.00 H new ATOM 422 N ARG A 33 5.923 2.952 3.772 1.00 0.00 N ATOM 423 CA ARG A 33 6.641 2.307 4.867 1.00 0.00 C ATOM 424 C ARG A 33 5.717 2.098 6.063 1.00 0.00 C ATOM 425 O ARG A 33 5.889 1.141 6.811 1.00 0.00 O ATOM 426 CB ARG A 33 7.828 3.192 5.262 1.00 0.00 C ATOM 427 CG ARG A 33 8.468 2.738 6.579 1.00 0.00 C ATOM 428 CD ARG A 33 9.722 3.556 6.875 1.00 0.00 C ATOM 429 NE ARG A 33 10.812 3.190 5.969 1.00 0.00 N ATOM 430 CZ ARG A 33 11.593 4.045 5.306 1.00 0.00 C ATOM 431 NH1 ARG A 33 11.422 5.360 5.407 1.00 0.00 N ATOM 432 NH2 ARG A 33 12.563 3.566 4.534 1.00 0.00 N ATOM 0 H ARG A 33 6.368 3.805 3.433 1.00 0.00 H new ATOM 0 HA ARG A 33 6.999 1.329 4.544 1.00 0.00 H new ATOM 0 HB2 ARG A 33 8.576 3.171 4.469 1.00 0.00 H new ATOM 0 HB3 ARG A 33 7.494 4.225 5.358 1.00 0.00 H new ATOM 0 HG2 ARG A 33 7.753 2.849 7.395 1.00 0.00 H new ATOM 0 HG3 ARG A 33 8.723 1.680 6.520 1.00 0.00 H new ATOM 0 HD2 ARG A 33 9.500 4.618 6.773 1.00 0.00 H new ATOM 0 HD3 ARG A 33 10.032 3.393 7.907 1.00 0.00 H new ATOM 0 HE ARG A 33 10.990 2.195 5.833 1.00 0.00 H new ATOM 0 HH11 ARG A 33 10.682 5.734 6.001 1.00 0.00 H new ATOM 0 HH12 ARG A 33 12.031 5.995 4.891 1.00 0.00 H new ATOM 0 HH21 ARG A 33 12.701 2.559 4.455 1.00 0.00 H new ATOM 0 HH22 ARG A 33 13.169 4.206 4.020 1.00 0.00 H new ATOM 446 N LYS A 34 4.742 2.992 6.239 1.00 0.00 N ATOM 447 CA LYS A 34 3.822 2.975 7.367 1.00 0.00 C ATOM 448 C LYS A 34 2.601 2.098 7.086 1.00 0.00 C ATOM 449 O LYS A 34 1.931 1.673 8.024 1.00 0.00 O ATOM 450 CB LYS A 34 3.448 4.431 7.657 1.00 0.00 C ATOM 451 CG LYS A 34 2.307 4.595 8.655 1.00 0.00 C ATOM 452 CD LYS A 34 2.113 6.092 8.909 1.00 0.00 C ATOM 453 CE LYS A 34 0.776 6.358 9.601 1.00 0.00 C ATOM 454 NZ LYS A 34 0.695 5.686 10.909 1.00 0.00 N ATOM 0 H LYS A 34 4.571 3.759 5.588 1.00 0.00 H new ATOM 0 HA LYS A 34 4.291 2.531 8.245 1.00 0.00 H new ATOM 0 HB2 LYS A 34 4.327 4.951 8.038 1.00 0.00 H new ATOM 0 HB3 LYS A 34 3.170 4.917 6.721 1.00 0.00 H new ATOM 0 HG2 LYS A 34 1.391 4.153 8.263 1.00 0.00 H new ATOM 0 HG3 LYS A 34 2.537 4.077 9.586 1.00 0.00 H new ATOM 0 HD2 LYS A 34 2.928 6.469 9.527 1.00 0.00 H new ATOM 0 HD3 LYS A 34 2.152 6.634 7.964 1.00 0.00 H new ATOM 0 HE2 LYS A 34 0.643 7.432 9.735 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -0.038 6.013 8.964 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -0.173 5.984 11.399 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 0.677 4.656 10.769 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 1.523 5.943 11.483 1.00 0.00 H new ATOM 468 N TYR A 35 2.305 1.821 5.812 1.00 0.00 N ATOM 469 CA TYR A 35 1.207 0.939 5.443 1.00 0.00 C ATOM 470 C TYR A 35 1.711 -0.452 5.064 1.00 0.00 C ATOM 471 O TYR A 35 0.904 -1.338 4.799 1.00 0.00 O ATOM 472 CB TYR A 35 0.359 1.570 4.333 1.00 0.00 C ATOM 473 CG TYR A 35 -0.748 2.453 4.873 1.00 0.00 C ATOM 474 CD1 TYR A 35 -0.489 3.788 5.219 1.00 0.00 C ATOM 475 CD2 TYR A 35 -2.036 1.923 5.033 1.00 0.00 C ATOM 476 CE1 TYR A 35 -1.511 4.596 5.737 1.00 0.00 C ATOM 477 CE2 TYR A 35 -3.065 2.725 5.548 1.00 0.00 C ATOM 478 CZ TYR A 35 -2.806 4.063 5.908 1.00 0.00 C ATOM 479 OH TYR A 35 -3.805 4.830 6.426 1.00 0.00 O ATOM 0 H TYR A 35 2.819 2.201 5.017 1.00 0.00 H new ATOM 0 HA TYR A 35 0.564 0.810 6.314 1.00 0.00 H new ATOM 0 HB2 TYR A 35 1.003 2.160 3.680 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -0.077 0.780 3.721 1.00 0.00 H new ATOM 0 HD1 TYR A 35 0.502 4.195 5.086 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -2.236 0.897 4.760 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -1.308 5.623 6.004 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -4.057 2.317 5.669 1.00 0.00 H new ATOM 0 HH TYR A 35 -3.538 5.773 6.405 1.00 0.00 H new ATOM 489 N LEU A 36 3.025 -0.669 5.035 1.00 0.00 N ATOM 490 CA LEU A 36 3.605 -1.989 4.839 1.00 0.00 C ATOM 491 C LEU A 36 4.010 -2.576 6.190 1.00 0.00 C ATOM 492 O LEU A 36 4.313 -3.764 6.288 1.00 0.00 O ATOM 493 CB LEU A 36 4.823 -1.852 3.919 1.00 0.00 C ATOM 494 CG LEU A 36 4.419 -1.604 2.463 1.00 0.00 C ATOM 495 CD1 LEU A 36 5.639 -1.138 1.671 1.00 0.00 C ATOM 496 CD2 LEU A 36 3.909 -2.897 1.827 1.00 0.00 C ATOM 0 H LEU A 36 3.717 0.072 5.148 1.00 0.00 H new ATOM 0 HA LEU A 36 2.880 -2.661 4.380 1.00 0.00 H new ATOM 0 HB2 LEU A 36 5.449 -1.030 4.266 1.00 0.00 H new ATOM 0 HB3 LEU A 36 5.426 -2.758 3.978 1.00 0.00 H new ATOM 0 HG LEU A 36 3.634 -0.848 2.446 1.00 0.00 H new ATOM 0 HD11 LEU A 36 5.354 -0.961 0.634 1.00 0.00 H new ATOM 0 HD12 LEU A 36 6.023 -0.215 2.104 1.00 0.00 H new ATOM 0 HD13 LEU A 36 6.412 -1.906 1.709 1.00 0.00 H new ATOM 0 HD21 LEU A 36 3.625 -2.706 0.792 1.00 0.00 H new ATOM 0 HD22 LEU A 36 4.696 -3.651 1.854 1.00 0.00 H new ATOM 0 HD23 LEU A 36 3.042 -3.257 2.380 1.00 0.00 H new ATOM 508 N GLN A 37 4.011 -1.740 7.234 1.00 0.00 N ATOM 509 CA GLN A 37 4.467 -2.105 8.568 1.00 0.00 C ATOM 510 C GLN A 37 3.334 -2.699 9.402 1.00 0.00 C ATOM 511 O GLN A 37 3.531 -3.049 10.564 1.00 0.00 O ATOM 512 CB GLN A 37 5.094 -0.868 9.222 1.00 0.00 C ATOM 513 CG GLN A 37 6.599 -1.085 9.291 1.00 0.00 C ATOM 514 CD GLN A 37 7.388 0.206 9.419 1.00 0.00 C ATOM 515 OE1 GLN A 37 6.857 1.260 9.754 1.00 0.00 O ATOM 516 NE2 GLN A 37 8.684 0.110 9.143 1.00 0.00 N ATOM 0 H GLN A 37 3.688 -0.775 7.168 1.00 0.00 H new ATOM 0 HA GLN A 37 5.223 -2.887 8.502 1.00 0.00 H new ATOM 0 HB2 GLN A 37 4.864 0.027 8.644 1.00 0.00 H new ATOM 0 HB3 GLN A 37 4.685 -0.716 10.221 1.00 0.00 H new ATOM 0 HG2 GLN A 37 6.828 -1.728 10.141 1.00 0.00 H new ATOM 0 HG3 GLN A 37 6.924 -1.614 8.395 1.00 0.00 H new ATOM 0 HE21 GLN A 37 9.082 -0.788 8.868 1.00 0.00 H new ATOM 0 HE22 GLN A 37 9.281 0.934 9.206 1.00 0.00 H new ATOM 525 N ARG A 38 2.142 -2.812 8.806 1.00 0.00 N ATOM 526 CA ARG A 38 0.973 -3.394 9.447 1.00 0.00 C ATOM 527 C ARG A 38 0.500 -4.617 8.665 1.00 0.00 C ATOM 528 O ARG A 38 -0.476 -5.254 9.053 1.00 0.00 O ATOM 529 CB ARG A 38 -0.174 -2.371 9.512 1.00 0.00 C ATOM 530 CG ARG A 38 0.255 -0.900 9.499 1.00 0.00 C ATOM 531 CD ARG A 38 1.095 -0.509 10.718 1.00 0.00 C ATOM 532 NE ARG A 38 0.349 -0.719 11.968 1.00 0.00 N ATOM 533 CZ ARG A 38 0.685 -1.586 12.929 1.00 0.00 C ATOM 534 NH1 ARG A 38 1.762 -2.360 12.816 1.00 0.00 N ATOM 535 NH2 ARG A 38 -0.063 -1.683 14.023 1.00 0.00 N ATOM 0 H ARG A 38 1.967 -2.496 7.852 1.00 0.00 H new ATOM 0 HA ARG A 38 1.253 -3.687 10.459 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -0.841 -2.545 8.668 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -0.752 -2.555 10.418 1.00 0.00 H new ATOM 0 HG2 ARG A 38 0.827 -0.702 8.592 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -0.633 -0.269 9.459 1.00 0.00 H new ATOM 0 HD2 ARG A 38 2.012 -1.098 10.735 1.00 0.00 H new ATOM 0 HD3 ARG A 38 1.390 0.537 10.639 1.00 0.00 H new ATOM 0 HE ARG A 38 -0.491 -0.159 12.113 1.00 0.00 H new ATOM 0 HH11 ARG A 38 2.349 -2.298 11.984 1.00 0.00 H new ATOM 0 HH12 ARG A 38 2.000 -3.015 13.561 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -0.891 -1.097 14.128 1.00 0.00 H new ATOM 0 HH22 ARG A 38 0.191 -2.344 14.758 1.00 0.00 H new ATOM 549 N ASN A 39 1.186 -4.935 7.562 1.00 0.00 N ATOM 550 CA ASN A 39 0.707 -5.891 6.578 1.00 0.00 C ATOM 551 C ASN A 39 1.812 -6.809 6.053 1.00 0.00 C ATOM 552 O ASN A 39 1.785 -7.212 4.893 1.00 0.00 O ATOM 553 CB ASN A 39 0.048 -5.084 5.459 1.00 0.00 C ATOM 554 CG ASN A 39 -1.057 -4.199 6.025 1.00 0.00 C ATOM 555 OD1 ASN A 39 -2.105 -4.679 6.440 1.00 0.00 O ATOM 556 ND2 ASN A 39 -0.811 -2.896 6.041 1.00 0.00 N ATOM 0 H ASN A 39 2.094 -4.530 7.333 1.00 0.00 H new ATOM 0 HA ASN A 39 -0.012 -6.569 7.039 1.00 0.00 H new ATOM 0 HB2 ASN A 39 0.795 -4.469 4.957 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -0.365 -5.759 4.709 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -1.509 -2.250 6.409 1.00 0.00 H new ATOM 0 HD22 ASN A 39 0.076 -2.540 5.685 1.00 0.00 H new ATOM 563 N HIS A 40 2.782 -7.136 6.910 1.00 0.00 N ATOM 564 CA HIS A 40 3.854 -8.073 6.591 1.00 0.00 C ATOM 565 C HIS A 40 4.647 -7.671 5.347 1.00 0.00 C ATOM 566 O HIS A 40 5.215 -8.525 4.668 1.00 0.00 O ATOM 567 CB HIS A 40 3.287 -9.492 6.501 1.00 0.00 C ATOM 568 CG HIS A 40 2.280 -9.780 7.586 1.00 0.00 C ATOM 569 ND1 HIS A 40 2.508 -9.667 8.961 1.00 0.00 N ATOM 570 CD2 HIS A 40 0.990 -10.176 7.374 1.00 0.00 C ATOM 571 CE1 HIS A 40 1.340 -9.987 9.541 1.00 0.00 C ATOM 572 NE2 HIS A 40 0.415 -10.306 8.615 1.00 0.00 N ATOM 0 H HIS A 40 2.843 -6.752 7.853 1.00 0.00 H new ATOM 0 HA HIS A 40 4.582 -8.046 7.402 1.00 0.00 H new ATOM 0 HB2 HIS A 40 2.817 -9.631 5.527 1.00 0.00 H new ATOM 0 HB3 HIS A 40 4.103 -10.211 6.567 1.00 0.00 H new ATOM 0 HD2 HIS A 40 0.516 -10.352 6.420 1.00 0.00 H new ATOM 0 HE1 HIS A 40 1.166 -9.988 10.607 1.00 0.00 H new ATOM 0 HE2 HIS A 40 -0.545 -10.594 8.803 1.00 0.00 H new ATOM 580 N TRP A 41 4.681 -6.369 5.052 1.00 0.00 N ATOM 581 CA TRP A 41 5.391 -5.808 3.912 1.00 0.00 C ATOM 582 C TRP A 41 4.978 -6.404 2.567 1.00 0.00 C ATOM 583 O TRP A 41 5.774 -6.439 1.630 1.00 0.00 O ATOM 584 CB TRP A 41 6.894 -5.788 4.181 1.00 0.00 C ATOM 585 CG TRP A 41 7.283 -4.743 5.172 1.00 0.00 C ATOM 586 CD1 TRP A 41 7.216 -4.834 6.515 1.00 0.00 C ATOM 587 CD2 TRP A 41 7.792 -3.415 4.892 1.00 0.00 C ATOM 588 NE1 TRP A 41 7.597 -3.632 7.078 1.00 0.00 N ATOM 589 CE2 TRP A 41 7.916 -2.695 6.112 1.00 0.00 C ATOM 590 CE3 TRP A 41 8.111 -2.749 3.703 1.00 0.00 C ATOM 591 CZ2 TRP A 41 8.288 -1.344 6.137 1.00 0.00 C ATOM 592 CZ3 TRP A 41 8.533 -1.410 3.719 1.00 0.00 C ATOM 593 CH2 TRP A 41 8.621 -0.712 4.931 1.00 0.00 C ATOM 0 H TRP A 41 4.204 -5.665 5.615 1.00 0.00 H new ATOM 0 HA TRP A 41 5.083 -4.768 3.804 1.00 0.00 H new ATOM 0 HB2 TRP A 41 7.207 -6.766 4.547 1.00 0.00 H new ATOM 0 HB3 TRP A 41 7.425 -5.613 3.245 1.00 0.00 H new ATOM 0 HD1 TRP A 41 6.911 -5.712 7.066 1.00 0.00 H new ATOM 0 HE1 TRP A 41 7.638 -3.457 8.082 1.00 0.00 H new ATOM 0 HE3 TRP A 41 8.032 -3.272 2.761 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 8.318 -0.799 7.069 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 8.791 -0.916 2.794 1.00 0.00 H new ATOM 0 HH2 TRP A 41 8.947 0.318 4.936 1.00 0.00 H new ATOM 604 N ASN A 42 3.730 -6.873 2.464 1.00 0.00 N ATOM 605 CA ASN A 42 3.151 -7.253 1.188 1.00 0.00 C ATOM 606 C ASN A 42 2.416 -6.051 0.609 1.00 0.00 C ATOM 607 O ASN A 42 1.603 -5.435 1.299 1.00 0.00 O ATOM 608 CB ASN A 42 2.180 -8.417 1.377 1.00 0.00 C ATOM 609 CG ASN A 42 2.878 -9.769 1.360 1.00 0.00 C ATOM 610 OD1 ASN A 42 4.094 -9.867 1.505 1.00 0.00 O ATOM 611 ND2 ASN A 42 2.100 -10.831 1.171 1.00 0.00 N ATOM 0 H ASN A 42 3.104 -6.996 3.260 1.00 0.00 H new ATOM 0 HA ASN A 42 3.940 -7.570 0.506 1.00 0.00 H new ATOM 0 HB2 ASN A 42 1.653 -8.296 2.324 1.00 0.00 H new ATOM 0 HB3 ASN A 42 1.428 -8.390 0.588 1.00 0.00 H new ATOM 0 HD21 ASN A 42 2.510 -11.765 1.143 1.00 0.00 H new ATOM 0 HD22 ASN A 42 1.094 -10.712 1.054 1.00 0.00 H new ATOM 618 N ILE A 43 2.688 -5.714 -0.652 1.00 0.00 N ATOM 619 CA ILE A 43 1.987 -4.622 -1.313 1.00 0.00 C ATOM 620 C ILE A 43 0.555 -5.039 -1.628 1.00 0.00 C ATOM 621 O ILE A 43 -0.295 -4.185 -1.876 1.00 0.00 O ATOM 622 CB ILE A 43 2.785 -4.178 -2.553 1.00 0.00 C ATOM 623 CG1 ILE A 43 3.818 -3.135 -2.112 1.00 0.00 C ATOM 624 CG2 ILE A 43 1.900 -3.594 -3.658 1.00 0.00 C ATOM 625 CD1 ILE A 43 3.165 -1.810 -1.764 1.00 0.00 C ATOM 0 H ILE A 43 3.386 -6.181 -1.231 1.00 0.00 H new ATOM 0 HA ILE A 43 1.916 -3.756 -0.655 1.00 0.00 H new ATOM 0 HB ILE A 43 3.266 -5.060 -2.976 1.00 0.00 H new ATOM 0 HG12 ILE A 43 4.366 -3.509 -1.247 1.00 0.00 H new ATOM 0 HG13 ILE A 43 4.546 -2.984 -2.909 1.00 0.00 H new ATOM 0 HG21 ILE A 43 2.521 -3.300 -4.504 1.00 0.00 H new ATOM 0 HG22 ILE A 43 1.178 -4.344 -3.981 1.00 0.00 H new ATOM 0 HG23 ILE A 43 1.370 -2.721 -3.276 1.00 0.00 H new ATOM 0 HD11 ILE A 43 3.930 -1.097 -1.456 1.00 0.00 H new ATOM 0 HD12 ILE A 43 2.639 -1.423 -2.637 1.00 0.00 H new ATOM 0 HD13 ILE A 43 2.457 -1.957 -0.949 1.00 0.00 H new ATOM 637 N ASN A 44 0.269 -6.343 -1.618 1.00 0.00 N ATOM 638 CA ASN A 44 -1.075 -6.815 -1.906 1.00 0.00 C ATOM 639 C ASN A 44 -1.924 -6.816 -0.638 1.00 0.00 C ATOM 640 O ASN A 44 -3.138 -6.981 -0.702 1.00 0.00 O ATOM 641 CB ASN A 44 -0.993 -8.213 -2.527 1.00 0.00 C ATOM 642 CG ASN A 44 -0.243 -8.204 -3.851 1.00 0.00 C ATOM 643 OD1 ASN A 44 -0.145 -7.182 -4.522 1.00 0.00 O ATOM 644 ND2 ASN A 44 0.294 -9.355 -4.237 1.00 0.00 N ATOM 0 H ASN A 44 0.946 -7.079 -1.415 1.00 0.00 H new ATOM 0 HA ASN A 44 -1.556 -6.144 -2.617 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -0.495 -8.890 -1.833 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -2.000 -8.600 -2.683 1.00 0.00 H new ATOM 0 HD21 ASN A 44 0.808 -9.409 -5.117 1.00 0.00 H new ATOM 0 HD22 ASN A 44 0.193 -10.186 -3.654 1.00 0.00 H new ATOM 651 N TYR A 45 -1.278 -6.632 0.517 1.00 0.00 N ATOM 652 CA TYR A 45 -1.933 -6.593 1.811 1.00 0.00 C ATOM 653 C TYR A 45 -1.916 -5.172 2.378 1.00 0.00 C ATOM 654 O TYR A 45 -2.557 -4.906 3.392 1.00 0.00 O ATOM 655 CB TYR A 45 -1.198 -7.561 2.740 1.00 0.00 C ATOM 656 CG TYR A 45 -1.314 -9.035 2.400 1.00 0.00 C ATOM 657 CD1 TYR A 45 -2.228 -9.500 1.438 1.00 0.00 C ATOM 658 CD2 TYR A 45 -0.490 -9.948 3.072 1.00 0.00 C ATOM 659 CE1 TYR A 45 -2.314 -10.869 1.149 1.00 0.00 C ATOM 660 CE2 TYR A 45 -0.572 -11.320 2.788 1.00 0.00 C ATOM 661 CZ TYR A 45 -1.485 -11.785 1.825 1.00 0.00 C ATOM 662 OH TYR A 45 -1.567 -13.120 1.551 1.00 0.00 O ATOM 0 H TYR A 45 -0.267 -6.505 0.571 1.00 0.00 H new ATOM 0 HA TYR A 45 -2.977 -6.891 1.716 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -0.141 -7.293 2.747 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -1.571 -7.413 3.753 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -2.866 -8.800 0.920 1.00 0.00 H new ATOM 0 HD2 TYR A 45 0.212 -9.594 3.812 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -3.016 -11.221 0.408 1.00 0.00 H new ATOM 0 HE2 TYR A 45 0.066 -12.018 3.309 1.00 0.00 H new ATOM 0 HH TYR A 45 -0.924 -13.608 2.106 1.00 0.00 H new ATOM 672 N ALA A 46 -1.185 -4.259 1.730 1.00 0.00 N ATOM 673 CA ALA A 46 -1.004 -2.901 2.209 1.00 0.00 C ATOM 674 C ALA A 46 -1.796 -1.882 1.399 1.00 0.00 C ATOM 675 O ALA A 46 -2.249 -0.883 1.953 1.00 0.00 O ATOM 676 CB ALA A 46 0.485 -2.582 2.146 1.00 0.00 C ATOM 0 H ALA A 46 -0.702 -4.452 0.852 1.00 0.00 H new ATOM 0 HA ALA A 46 -1.380 -2.836 3.230 1.00 0.00 H new ATOM 0 HB1 ALA A 46 0.655 -1.565 2.500 1.00 0.00 H new ATOM 0 HB2 ALA A 46 1.034 -3.282 2.776 1.00 0.00 H new ATOM 0 HB3 ALA A 46 0.833 -2.670 1.117 1.00 0.00 H new ATOM 682 N LEU A 47 -1.976 -2.113 0.098 1.00 0.00 N ATOM 683 CA LEU A 47 -2.731 -1.180 -0.721 1.00 0.00 C ATOM 684 C LEU A 47 -4.203 -1.235 -0.334 1.00 0.00 C ATOM 685 O LEU A 47 -4.887 -0.217 -0.389 1.00 0.00 O ATOM 686 CB LEU A 47 -2.542 -1.524 -2.202 1.00 0.00 C ATOM 687 CG LEU A 47 -1.154 -1.155 -2.726 1.00 0.00 C ATOM 688 CD1 LEU A 47 -1.034 -1.621 -4.172 1.00 0.00 C ATOM 689 CD2 LEU A 47 -0.917 0.353 -2.679 1.00 0.00 C ATOM 0 H LEU A 47 -1.614 -2.926 -0.400 1.00 0.00 H new ATOM 0 HA LEU A 47 -2.368 -0.166 -0.554 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -2.707 -2.592 -2.346 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -3.297 -1.003 -2.790 1.00 0.00 H new ATOM 0 HG LEU A 47 -0.412 -1.640 -2.092 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -0.047 -1.363 -4.557 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -1.171 -2.701 -4.219 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -1.798 -1.132 -4.776 1.00 0.00 H new ATOM 0 HD21 LEU A 47 0.080 0.577 -3.059 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -1.662 0.858 -3.294 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -1.000 0.702 -1.650 1.00 0.00 H new ATOM 701 N ASN A 48 -4.698 -2.410 0.064 1.00 0.00 N ATOM 702 CA ASN A 48 -6.091 -2.545 0.452 1.00 0.00 C ATOM 703 C ASN A 48 -6.359 -1.838 1.779 1.00 0.00 C ATOM 704 O ASN A 48 -7.503 -1.493 2.065 1.00 0.00 O ATOM 705 CB ASN A 48 -6.465 -4.027 0.519 1.00 0.00 C ATOM 706 CG ASN A 48 -6.512 -4.648 -0.869 1.00 0.00 C ATOM 707 OD1 ASN A 48 -7.481 -4.467 -1.601 1.00 0.00 O ATOM 708 ND2 ASN A 48 -5.474 -5.382 -1.245 1.00 0.00 N ATOM 0 H ASN A 48 -4.154 -3.271 0.123 1.00 0.00 H new ATOM 0 HA ASN A 48 -6.718 -2.065 -0.299 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -5.740 -4.560 1.134 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -7.436 -4.138 1.003 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -5.464 -5.817 -2.168 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -4.685 -5.512 -0.612 1.00 0.00 H new ATOM 715 N ASP A 49 -5.324 -1.612 2.593 1.00 0.00 N ATOM 716 CA ASP A 49 -5.482 -0.875 3.837 1.00 0.00 C ATOM 717 C ASP A 49 -5.480 0.624 3.557 1.00 0.00 C ATOM 718 O ASP A 49 -6.132 1.393 4.257 1.00 0.00 O ATOM 719 CB ASP A 49 -4.341 -1.242 4.788 1.00 0.00 C ATOM 720 CG ASP A 49 -4.658 -0.850 6.227 1.00 0.00 C ATOM 721 OD1 ASP A 49 -5.682 -1.346 6.749 1.00 0.00 O ATOM 722 OD2 ASP A 49 -3.877 -0.061 6.803 1.00 0.00 O ATOM 0 H ASP A 49 -4.373 -1.930 2.408 1.00 0.00 H new ATOM 0 HA ASP A 49 -6.433 -1.138 4.301 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -4.154 -2.315 4.736 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -3.426 -0.743 4.468 1.00 0.00 H new ATOM 727 N TYR A 50 -4.747 1.035 2.520 1.00 0.00 N ATOM 728 CA TYR A 50 -4.694 2.424 2.101 1.00 0.00 C ATOM 729 C TYR A 50 -5.983 2.807 1.375 1.00 0.00 C ATOM 730 O TYR A 50 -6.432 3.948 1.457 1.00 0.00 O ATOM 731 CB TYR A 50 -3.473 2.603 1.200 1.00 0.00 C ATOM 732 CG TYR A 50 -3.238 4.033 0.768 1.00 0.00 C ATOM 733 CD1 TYR A 50 -2.504 4.902 1.587 1.00 0.00 C ATOM 734 CD2 TYR A 50 -3.766 4.488 -0.449 1.00 0.00 C ATOM 735 CE1 TYR A 50 -2.300 6.232 1.190 1.00 0.00 C ATOM 736 CE2 TYR A 50 -3.567 5.814 -0.853 1.00 0.00 C ATOM 737 CZ TYR A 50 -2.835 6.694 -0.030 1.00 0.00 C ATOM 738 OH TYR A 50 -2.652 7.988 -0.414 1.00 0.00 O ATOM 0 H TYR A 50 -4.176 0.409 1.952 1.00 0.00 H new ATOM 0 HA TYR A 50 -4.604 3.081 2.966 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -2.589 2.242 1.726 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -3.593 1.980 0.313 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -2.096 4.548 2.522 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -4.328 3.813 -1.077 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -1.733 6.902 1.819 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -3.973 6.161 -1.792 1.00 0.00 H new ATOM 0 HH TYR A 50 -3.085 8.137 -1.280 1.00 0.00 H new ATOM 748 N TYR A 51 -6.587 1.850 0.666 1.00 0.00 N ATOM 749 CA TYR A 51 -7.850 2.061 -0.032 1.00 0.00 C ATOM 750 C TYR A 51 -9.037 1.985 0.929 1.00 0.00 C ATOM 751 O TYR A 51 -10.177 2.163 0.510 1.00 0.00 O ATOM 752 CB TYR A 51 -7.992 1.050 -1.170 1.00 0.00 C ATOM 753 CG TYR A 51 -6.886 1.143 -2.196 1.00 0.00 C ATOM 754 CD1 TYR A 51 -6.356 2.393 -2.546 1.00 0.00 C ATOM 755 CD2 TYR A 51 -6.385 -0.023 -2.795 1.00 0.00 C ATOM 756 CE1 TYR A 51 -5.330 2.485 -3.492 1.00 0.00 C ATOM 757 CE2 TYR A 51 -5.351 0.060 -3.739 1.00 0.00 C ATOM 758 CZ TYR A 51 -4.822 1.316 -4.096 1.00 0.00 C ATOM 759 OH TYR A 51 -3.827 1.403 -5.022 1.00 0.00 O ATOM 0 H TYR A 51 -6.211 0.908 0.562 1.00 0.00 H new ATOM 0 HA TYR A 51 -7.846 3.065 -0.457 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -8.006 0.043 -0.752 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -8.951 1.203 -1.665 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -6.742 3.289 -2.083 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -6.796 -0.986 -2.529 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -4.927 3.451 -3.760 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -4.960 -0.839 -4.192 1.00 0.00 H new ATOM 0 HH TYR A 51 -3.594 0.505 -5.337 1.00 0.00 H new ATOM 769 N ASP A 52 -8.774 1.726 2.213 1.00 0.00 N ATOM 770 CA ASP A 52 -9.792 1.707 3.246 1.00 0.00 C ATOM 771 C ASP A 52 -9.671 2.921 4.160 1.00 0.00 C ATOM 772 O ASP A 52 -10.654 3.330 4.779 1.00 0.00 O ATOM 773 CB ASP A 52 -9.583 0.463 4.109 1.00 0.00 C ATOM 774 CG ASP A 52 -10.051 -0.831 3.441 1.00 0.00 C ATOM 775 OD1 ASP A 52 -10.655 -0.753 2.346 1.00 0.00 O ATOM 776 OD2 ASP A 52 -9.798 -1.901 4.039 1.00 0.00 O ATOM 0 H ASP A 52 -7.836 1.523 2.559 1.00 0.00 H new ATOM 0 HA ASP A 52 -10.770 1.712 2.764 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -8.524 0.374 4.353 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -10.117 0.590 5.050 1.00 0.00 H new ATOM 781 N LYS A 53 -8.466 3.494 4.247 1.00 0.00 N ATOM 782 CA LYS A 53 -8.155 4.509 5.245 1.00 0.00 C ATOM 783 C LYS A 53 -7.656 5.824 4.649 1.00 0.00 C ATOM 784 O LYS A 53 -7.564 6.820 5.369 1.00 0.00 O ATOM 785 CB LYS A 53 -7.128 3.900 6.190 1.00 0.00 C ATOM 786 CG LYS A 53 -7.823 2.884 7.098 1.00 0.00 C ATOM 787 CD LYS A 53 -6.809 1.898 7.660 1.00 0.00 C ATOM 788 CE LYS A 53 -5.669 2.597 8.400 1.00 0.00 C ATOM 789 NZ LYS A 53 -4.673 1.617 8.871 1.00 0.00 N ATOM 0 H LYS A 53 -7.687 3.266 3.629 1.00 0.00 H new ATOM 0 HA LYS A 53 -9.069 4.782 5.772 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -6.335 3.415 5.621 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -6.659 4.681 6.789 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -8.328 3.401 7.914 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -8.589 2.349 6.537 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -7.312 1.210 8.339 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -6.398 1.299 6.847 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -5.190 3.320 7.740 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -6.067 3.154 9.248 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -3.837 2.118 9.234 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -5.087 1.039 9.630 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -4.391 1.001 8.081 1.00 0.00 H new ATOM 803 N GLU A 54 -7.335 5.846 3.352 1.00 0.00 N ATOM 804 CA GLU A 54 -6.805 7.034 2.686 1.00 0.00 C ATOM 805 C GLU A 54 -7.406 7.212 1.292 1.00 0.00 C ATOM 806 O GLU A 54 -6.923 8.036 0.516 1.00 0.00 O ATOM 807 CB GLU A 54 -5.283 6.932 2.574 1.00 0.00 C ATOM 808 CG GLU A 54 -4.590 6.829 3.937 1.00 0.00 C ATOM 809 CD GLU A 54 -4.745 8.100 4.779 1.00 0.00 C ATOM 810 OE1 GLU A 54 -5.041 9.168 4.196 1.00 0.00 O ATOM 811 OE2 GLU A 54 -4.565 7.993 6.013 1.00 0.00 O ATOM 0 H GLU A 54 -7.436 5.039 2.736 1.00 0.00 H new ATOM 0 HA GLU A 54 -7.077 7.901 3.288 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -5.026 6.059 1.974 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -4.903 7.806 2.044 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -5.002 5.982 4.486 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -3.530 6.626 3.786 1.00 0.00 H new ATOM 818 N ILE A 55 -8.450 6.448 0.959 1.00 0.00 N ATOM 819 CA ILE A 55 -9.054 6.502 -0.361 1.00 0.00 C ATOM 820 C ILE A 55 -9.667 7.884 -0.618 1.00 0.00 C ATOM 821 O ILE A 55 -10.121 8.551 0.311 1.00 0.00 O ATOM 822 CB ILE A 55 -10.066 5.361 -0.507 1.00 0.00 C ATOM 823 CG1 ILE A 55 -10.592 5.299 -1.942 1.00 0.00 C ATOM 824 CG2 ILE A 55 -11.210 5.519 0.503 1.00 0.00 C ATOM 825 CD1 ILE A 55 -11.443 4.053 -2.195 1.00 0.00 C ATOM 0 H ILE A 55 -8.891 5.783 1.594 1.00 0.00 H new ATOM 0 HA ILE A 55 -8.291 6.361 -1.126 1.00 0.00 H new ATOM 0 HB ILE A 55 -9.565 4.418 -0.291 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -11.186 6.190 -2.148 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -9.751 5.309 -2.636 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -11.918 4.699 0.383 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -10.806 5.504 1.515 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -11.720 6.467 0.330 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -11.793 4.055 -3.227 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -10.843 3.160 -2.017 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -12.300 4.055 -1.521 1.00 0.00 H new ATOM 837 N GLY A 56 -9.676 8.316 -1.884 1.00 0.00 N ATOM 838 CA GLY A 56 -10.128 9.651 -2.252 1.00 0.00 C ATOM 839 C GLY A 56 -11.646 9.805 -2.244 1.00 0.00 C ATOM 840 O GLY A 56 -12.147 10.929 -2.292 1.00 0.00 O ATOM 0 H GLY A 56 -9.371 7.749 -2.675 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -9.694 10.375 -1.563 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -9.752 9.892 -3.246 1.00 0.00 H new ATOM 844 N THR A 57 -12.393 8.696 -2.181 1.00 0.00 N ATOM 845 CA THR A 57 -13.851 8.736 -2.167 1.00 0.00 C ATOM 846 C THR A 57 -14.427 7.496 -1.493 1.00 0.00 C ATOM 847 O THR A 57 -13.738 6.489 -1.334 1.00 0.00 O ATOM 848 CB THR A 57 -14.386 8.876 -3.598 1.00 0.00 C ATOM 849 OG1 THR A 57 -15.788 9.034 -3.551 1.00 0.00 O ATOM 850 CG2 THR A 57 -14.046 7.650 -4.446 1.00 0.00 C ATOM 0 H THR A 57 -12.002 7.755 -2.139 1.00 0.00 H new ATOM 0 HA THR A 57 -14.167 9.604 -1.588 1.00 0.00 H new ATOM 0 HB THR A 57 -13.916 9.746 -4.056 1.00 0.00 H new ATOM 0 HG1 THR A 57 -16.214 8.339 -4.096 1.00 0.00 H new ATOM 0 HG21 THR A 57 -14.440 7.784 -5.453 1.00 0.00 H new ATOM 0 HG22 THR A 57 -12.964 7.529 -4.493 1.00 0.00 H new ATOM 0 HG23 THR A 57 -14.491 6.762 -3.997 1.00 0.00 H new ATOM 858 N PHE A 58 -15.699 7.568 -1.094 1.00 0.00 N ATOM 859 CA PHE A 58 -16.394 6.488 -0.410 1.00 0.00 C ATOM 860 C PHE A 58 -17.697 6.125 -1.122 1.00 0.00 C ATOM 861 O PHE A 58 -18.457 5.283 -0.648 1.00 0.00 O ATOM 862 CB PHE A 58 -16.643 6.914 1.029 1.00 0.00 C ATOM 863 CG PHE A 58 -15.351 7.162 1.761 1.00 0.00 C ATOM 864 CD1 PHE A 58 -14.666 6.090 2.341 1.00 0.00 C ATOM 865 CD2 PHE A 58 -14.826 8.459 1.836 1.00 0.00 C ATOM 866 CE1 PHE A 58 -13.451 6.312 2.999 1.00 0.00 C ATOM 867 CE2 PHE A 58 -13.610 8.681 2.498 1.00 0.00 C ATOM 868 CZ PHE A 58 -12.921 7.607 3.080 1.00 0.00 C ATOM 0 H PHE A 58 -16.279 8.394 -1.242 1.00 0.00 H new ATOM 0 HA PHE A 58 -15.777 5.589 -0.422 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -17.250 7.819 1.042 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -17.213 6.141 1.545 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -15.074 5.092 2.281 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -15.356 9.285 1.385 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -12.921 5.484 3.445 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -13.204 9.680 2.560 1.00 0.00 H new ATOM 0 HZ PHE A 58 -11.984 7.777 3.589 1.00 0.00 H new ATOM 878 N THR A 59 -17.947 6.769 -2.266 1.00 0.00 N ATOM 879 CA THR A 59 -19.146 6.546 -3.064 1.00 0.00 C ATOM 880 C THR A 59 -18.838 6.669 -4.554 1.00 0.00 C ATOM 881 O THR A 59 -17.868 7.318 -4.944 1.00 0.00 O ATOM 882 CB THR A 59 -20.243 7.520 -2.634 1.00 0.00 C ATOM 883 OG1 THR A 59 -21.445 7.238 -3.315 1.00 0.00 O ATOM 884 CG2 THR A 59 -19.852 8.973 -2.914 1.00 0.00 C ATOM 0 H THR A 59 -17.315 7.464 -2.663 1.00 0.00 H new ATOM 0 HA THR A 59 -19.504 5.531 -2.892 1.00 0.00 H new ATOM 0 HB THR A 59 -20.380 7.393 -1.560 1.00 0.00 H new ATOM 0 HG1 THR A 59 -22.139 7.868 -3.029 1.00 0.00 H new ATOM 0 HG21 THR A 59 -20.657 9.635 -2.595 1.00 0.00 H new ATOM 0 HG22 THR A 59 -18.942 9.217 -2.365 1.00 0.00 H new ATOM 0 HG23 THR A 59 -19.677 9.103 -3.982 1.00 0.00 H new ATOM 892 N ASP A 60 -19.669 6.041 -5.386 1.00 0.00 N ATOM 893 CA ASP A 60 -19.505 6.057 -6.830 1.00 0.00 C ATOM 894 C ASP A 60 -20.862 5.965 -7.515 1.00 0.00 C ATOM 895 O ASP A 60 -21.798 5.374 -6.974 1.00 0.00 O ATOM 896 CB ASP A 60 -18.599 4.899 -7.247 1.00 0.00 C ATOM 897 CG ASP A 60 -18.334 4.903 -8.749 1.00 0.00 C ATOM 898 OD1 ASP A 60 -17.771 5.910 -9.230 1.00 0.00 O ATOM 899 OD2 ASP A 60 -18.695 3.901 -9.405 1.00 0.00 O ATOM 0 H ASP A 60 -20.478 5.505 -5.070 1.00 0.00 H new ATOM 0 HA ASP A 60 -19.040 6.994 -7.136 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -17.653 4.966 -6.710 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -19.061 3.954 -6.961 1.00 0.00 H new ATOM 904 N GLU A 61 -20.967 6.550 -8.708 1.00 0.00 N ATOM 905 CA GLU A 61 -22.199 6.545 -9.478 1.00 0.00 C ATOM 906 C GLU A 61 -21.909 6.510 -10.979 1.00 0.00 C ATOM 907 O GLU A 61 -20.790 6.795 -11.411 1.00 0.00 O ATOM 908 CB GLU A 61 -23.051 7.762 -9.110 1.00 0.00 C ATOM 909 CG GLU A 61 -22.350 9.075 -9.458 1.00 0.00 C ATOM 910 CD GLU A 61 -23.215 10.275 -9.078 1.00 0.00 C ATOM 911 OE1 GLU A 61 -24.047 10.679 -9.923 1.00 0.00 O ATOM 912 OE2 GLU A 61 -23.040 10.781 -7.946 1.00 0.00 O ATOM 0 H GLU A 61 -20.197 7.040 -9.163 1.00 0.00 H new ATOM 0 HA GLU A 61 -22.759 5.642 -9.232 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -24.005 7.710 -9.635 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -23.273 7.741 -8.043 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -21.395 9.131 -8.936 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -22.132 9.103 -10.526 1.00 0.00 H new ATOM 919 N VAL A 62 -22.926 6.156 -11.773 1.00 0.00 N ATOM 920 CA VAL A 62 -22.817 6.057 -13.226 1.00 0.00 C ATOM 921 C VAL A 62 -24.032 6.710 -13.881 1.00 0.00 C ATOM 922 O VAL A 62 -25.162 6.272 -13.579 1.00 0.00 O ATOM 923 CB VAL A 62 -22.695 4.590 -13.649 1.00 0.00 C ATOM 924 CG1 VAL A 62 -22.548 4.492 -15.167 1.00 0.00 C ATOM 925 CG2 VAL A 62 -21.466 3.945 -13.006 1.00 0.00 C ATOM 0 H VAL A 62 -23.855 5.929 -11.418 1.00 0.00 H new ATOM 0 HA VAL A 62 -21.920 6.582 -13.555 1.00 0.00 H new ATOM 0 HB VAL A 62 -23.596 4.071 -13.323 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -22.462 3.445 -15.457 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -23.423 4.931 -15.646 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -21.654 5.030 -15.481 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -21.396 2.903 -13.318 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -20.569 4.479 -13.320 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -21.556 3.993 -11.921 1.00 0.00 H new TER 935 VAL A 62