USER MOD reduce.3.24.130724 H: found=0, std=0, add=472, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 470 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 67 ASN : amide:sc= -2.28! C(o=-0.33!,f=-10!) USER MOD Set 1.2: A 70 ASN : amide:sc= 1.95 K(o=-0.33,f=-7.9!) USER MOD Set 2.1: A 58 THR OG1 : rot 172:sc=-0.00343 USER MOD Set 2.2: A 61 SER OG : rot -140:sc= -1.29 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 SER OG : rot 180:sc= -0.0485 USER MOD Single : A 8 SER OG : rot 180:sc= 0.00807 USER MOD Single : A 11 ASN : amide:sc= -4.43! C(o=-4.4!,f=-20!) USER MOD Single : A 18 THR OG1 : rot 180:sc= 0.489 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 GLN : amide:sc= -0.064 X(o=-0.064,f=-0.27) USER MOD Single : A 35 GLN : amide:sc= -0.526 K(o=-0.53,f=-3.8!) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 SER OG : rot -148:sc= -5.71! USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 ASN : amide:sc= -0.141 K(o=-0.14,f=-1.5!) USER MOD Single : A 60 GLN : amide:sc= -0.395 X(o=-0.39,f=-0.09) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -7.342 -6.544 3.346 1.00 0.00 N ATOM 2 CA GLY A 1 -8.526 -5.875 2.737 1.00 0.00 C ATOM 3 C GLY A 1 -9.263 -6.863 1.830 1.00 0.00 C ATOM 4 O GLY A 1 -8.714 -7.364 0.868 1.00 0.00 O ATOM 0 H1 GLY A 1 -6.842 -5.872 3.962 1.00 0.00 H new ATOM 0 H2 GLY A 1 -7.656 -7.361 3.908 1.00 0.00 H new ATOM 0 H3 GLY A 1 -6.701 -6.867 2.594 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -9.195 -5.515 3.519 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -8.209 -5.005 2.162 1.00 0.00 H new ATOM 8 N LYS A 2 -10.501 -7.148 2.128 1.00 0.00 N ATOM 9 CA LYS A 2 -11.270 -8.104 1.282 1.00 0.00 C ATOM 10 C LYS A 2 -12.430 -7.372 0.610 1.00 0.00 C ATOM 11 O LYS A 2 -12.425 -7.132 -0.581 1.00 0.00 O ATOM 12 CB LYS A 2 -11.814 -9.236 2.155 1.00 0.00 C ATOM 13 CG LYS A 2 -12.236 -10.409 1.268 1.00 0.00 C ATOM 14 CD LYS A 2 -13.204 -11.309 2.038 1.00 0.00 C ATOM 15 CE LYS A 2 -12.524 -11.822 3.307 1.00 0.00 C ATOM 16 NZ LYS A 2 -13.382 -12.860 3.944 1.00 0.00 N ATOM 0 H LYS A 2 -11.013 -6.760 2.920 1.00 0.00 H new ATOM 0 HA LYS A 2 -10.614 -8.521 0.517 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -11.053 -9.559 2.865 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -12.665 -8.883 2.738 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -12.711 -10.039 0.360 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -11.360 -10.979 0.960 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -14.106 -10.754 2.295 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -13.512 -12.148 1.414 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -11.547 -12.240 3.065 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -12.355 -10.998 4.001 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -12.920 -13.210 4.808 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -14.304 -12.446 4.188 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -13.521 -13.650 3.282 1.00 0.00 H new ATOM 30 N GLU A 3 -13.423 -7.016 1.369 1.00 0.00 N ATOM 31 CA GLU A 3 -14.592 -6.297 0.788 1.00 0.00 C ATOM 32 C GLU A 3 -14.256 -4.813 0.641 1.00 0.00 C ATOM 33 O GLU A 3 -14.948 -4.074 -0.029 1.00 0.00 O ATOM 34 CB GLU A 3 -15.802 -6.456 1.711 1.00 0.00 C ATOM 35 CG GLU A 3 -15.486 -5.840 3.076 1.00 0.00 C ATOM 36 CD GLU A 3 -16.316 -4.569 3.268 1.00 0.00 C ATOM 37 OE1 GLU A 3 -16.686 -3.970 2.272 1.00 0.00 O ATOM 38 OE2 GLU A 3 -16.566 -4.215 4.408 1.00 0.00 O ATOM 0 H GLU A 3 -13.478 -7.192 2.372 1.00 0.00 H new ATOM 0 HA GLU A 3 -14.825 -6.717 -0.191 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -16.673 -5.969 1.273 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -16.050 -7.511 1.825 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -15.707 -6.554 3.869 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -14.423 -5.607 3.144 1.00 0.00 H new ATOM 45 N CYS A 4 -13.197 -4.371 1.259 1.00 0.00 N ATOM 46 CA CYS A 4 -12.821 -2.937 1.145 1.00 0.00 C ATOM 47 C CYS A 4 -11.322 -2.821 0.868 1.00 0.00 C ATOM 48 O CYS A 4 -10.500 -3.256 1.650 1.00 0.00 O ATOM 49 CB CYS A 4 -13.165 -2.206 2.444 1.00 0.00 C ATOM 50 SG CYS A 4 -13.016 -0.420 2.186 1.00 0.00 S ATOM 0 H CYS A 4 -12.578 -4.940 1.836 1.00 0.00 H new ATOM 0 HA CYS A 4 -13.376 -2.484 0.323 1.00 0.00 H new ATOM 0 HB2 CYS A 4 -14.179 -2.456 2.758 1.00 0.00 H new ATOM 0 HB3 CYS A 4 -12.496 -2.526 3.243 1.00 0.00 H new ATOM 55 N ASP A 5 -10.960 -2.241 -0.243 1.00 0.00 N ATOM 56 CA ASP A 5 -9.514 -2.100 -0.577 1.00 0.00 C ATOM 57 C ASP A 5 -9.047 -0.682 -0.242 1.00 0.00 C ATOM 58 O ASP A 5 -7.865 -0.409 -0.171 1.00 0.00 O ATOM 59 CB ASP A 5 -9.305 -2.366 -2.071 1.00 0.00 C ATOM 60 CG ASP A 5 -8.002 -3.144 -2.271 1.00 0.00 C ATOM 61 OD1 ASP A 5 -6.973 -2.658 -1.829 1.00 0.00 O ATOM 62 OD2 ASP A 5 -8.056 -4.210 -2.861 1.00 0.00 O ATOM 0 H ASP A 5 -11.604 -1.858 -0.935 1.00 0.00 H new ATOM 0 HA ASP A 5 -8.937 -2.819 0.004 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -10.145 -2.933 -2.472 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -9.267 -1.424 -2.618 1.00 0.00 H new ATOM 67 N CYS A 6 -9.964 0.222 -0.035 1.00 0.00 N ATOM 68 CA CYS A 6 -9.569 1.619 0.296 1.00 0.00 C ATOM 69 C CYS A 6 -10.485 2.162 1.396 1.00 0.00 C ATOM 70 O CYS A 6 -11.694 2.133 1.280 1.00 0.00 O ATOM 71 CB CYS A 6 -9.691 2.494 -0.953 1.00 0.00 C ATOM 72 SG CYS A 6 -9.010 1.608 -2.376 1.00 0.00 S ATOM 0 H CYS A 6 -10.969 0.054 -0.081 1.00 0.00 H new ATOM 0 HA CYS A 6 -8.537 1.632 0.646 1.00 0.00 H new ATOM 0 HB2 CYS A 6 -10.736 2.746 -1.133 1.00 0.00 H new ATOM 0 HB3 CYS A 6 -9.158 3.433 -0.806 1.00 0.00 H new ATOM 77 N SER A 7 -9.917 2.655 2.462 1.00 0.00 N ATOM 78 CA SER A 7 -10.753 3.198 3.570 1.00 0.00 C ATOM 79 C SER A 7 -11.355 4.542 3.152 1.00 0.00 C ATOM 80 O SER A 7 -12.244 5.061 3.798 1.00 0.00 O ATOM 81 CB SER A 7 -9.884 3.396 4.811 1.00 0.00 C ATOM 82 OG SER A 7 -10.395 4.483 5.573 1.00 0.00 O ATOM 0 H SER A 7 -8.910 2.705 2.614 1.00 0.00 H new ATOM 0 HA SER A 7 -11.557 2.496 3.793 1.00 0.00 H new ATOM 0 HB2 SER A 7 -9.876 2.487 5.412 1.00 0.00 H new ATOM 0 HB3 SER A 7 -8.853 3.594 4.519 1.00 0.00 H new ATOM 0 HG SER A 7 -9.841 4.612 6.371 1.00 0.00 H new ATOM 88 N SER A 8 -10.878 5.113 2.080 1.00 0.00 N ATOM 89 CA SER A 8 -11.425 6.424 1.630 1.00 0.00 C ATOM 90 C SER A 8 -12.721 6.193 0.841 1.00 0.00 C ATOM 91 O SER A 8 -12.702 5.568 -0.201 1.00 0.00 O ATOM 92 CB SER A 8 -10.400 7.115 0.729 1.00 0.00 C ATOM 93 OG SER A 8 -9.100 6.631 1.038 1.00 0.00 O ATOM 0 H SER A 8 -10.134 4.729 1.497 1.00 0.00 H new ATOM 0 HA SER A 8 -11.634 7.050 2.497 1.00 0.00 H new ATOM 0 HB2 SER A 8 -10.632 6.923 -0.319 1.00 0.00 H new ATOM 0 HB3 SER A 8 -10.442 8.195 0.873 1.00 0.00 H new ATOM 0 HG SER A 8 -8.441 7.071 0.461 1.00 0.00 H new ATOM 99 N PRO A 9 -13.813 6.705 1.356 1.00 0.00 N ATOM 100 CA PRO A 9 -15.131 6.567 0.710 1.00 0.00 C ATOM 101 C PRO A 9 -15.243 7.529 -0.476 1.00 0.00 C ATOM 102 O PRO A 9 -15.942 7.269 -1.435 1.00 0.00 O ATOM 103 CB PRO A 9 -16.118 6.939 1.820 1.00 0.00 C ATOM 104 CG PRO A 9 -15.328 7.796 2.836 1.00 0.00 C ATOM 105 CD PRO A 9 -13.839 7.470 2.620 1.00 0.00 C ATOM 0 HA PRO A 9 -15.313 5.570 0.309 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -16.964 7.496 1.417 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -16.522 6.046 2.296 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -15.519 8.858 2.679 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -15.631 7.565 3.857 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -13.239 8.377 2.548 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -13.436 6.886 3.447 1.00 0.00 H new ATOM 113 N GLU A 10 -14.551 8.633 -0.420 1.00 0.00 N ATOM 114 CA GLU A 10 -14.607 9.607 -1.544 1.00 0.00 C ATOM 115 C GLU A 10 -13.507 9.271 -2.552 1.00 0.00 C ATOM 116 O GLU A 10 -12.888 10.143 -3.128 1.00 0.00 O ATOM 117 CB GLU A 10 -14.389 11.021 -1.002 1.00 0.00 C ATOM 118 CG GLU A 10 -13.117 11.051 -0.151 1.00 0.00 C ATOM 119 CD GLU A 10 -12.228 12.211 -0.600 1.00 0.00 C ATOM 120 OE1 GLU A 10 -11.420 12.001 -1.490 1.00 0.00 O ATOM 121 OE2 GLU A 10 -12.370 13.289 -0.047 1.00 0.00 O ATOM 0 H GLU A 10 -13.948 8.902 0.357 1.00 0.00 H new ATOM 0 HA GLU A 10 -15.580 9.553 -2.031 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -14.304 11.729 -1.826 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -15.247 11.329 -0.404 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -13.374 11.163 0.902 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -12.579 10.108 -0.249 1.00 0.00 H new ATOM 128 N ASN A 11 -13.255 8.008 -2.762 1.00 0.00 N ATOM 129 CA ASN A 11 -12.189 7.607 -3.724 1.00 0.00 C ATOM 130 C ASN A 11 -12.831 7.050 -5.001 1.00 0.00 C ATOM 131 O ASN A 11 -13.687 6.190 -4.932 1.00 0.00 O ATOM 132 CB ASN A 11 -11.322 6.525 -3.079 1.00 0.00 C ATOM 133 CG ASN A 11 -10.159 6.170 -4.005 1.00 0.00 C ATOM 134 OD1 ASN A 11 -10.289 6.225 -5.212 1.00 0.00 O ATOM 135 ND2 ASN A 11 -9.019 5.804 -3.486 1.00 0.00 N ATOM 0 H ASN A 11 -13.742 7.235 -2.308 1.00 0.00 H new ATOM 0 HA ASN A 11 -11.577 8.473 -3.977 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -10.941 6.876 -2.120 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -11.922 5.638 -2.878 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -8.236 5.564 -4.094 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -8.911 5.758 -2.473 1.00 0.00 H new ATOM 142 N PRO A 12 -12.398 7.551 -6.132 1.00 0.00 N ATOM 143 CA PRO A 12 -12.917 7.113 -7.440 1.00 0.00 C ATOM 144 C PRO A 12 -12.299 5.767 -7.832 1.00 0.00 C ATOM 145 O PRO A 12 -12.957 4.910 -8.386 1.00 0.00 O ATOM 146 CB PRO A 12 -12.468 8.221 -8.395 1.00 0.00 C ATOM 147 CG PRO A 12 -11.265 8.918 -7.720 1.00 0.00 C ATOM 148 CD PRO A 12 -11.356 8.596 -6.217 1.00 0.00 C ATOM 0 HA PRO A 12 -13.997 6.966 -7.448 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -12.184 7.808 -9.363 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -13.276 8.930 -8.575 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -10.325 8.558 -8.137 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -11.297 9.994 -7.888 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -10.402 8.240 -5.828 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -11.628 9.478 -5.637 1.00 0.00 H new ATOM 156 N CYS A 13 -11.040 5.576 -7.546 1.00 0.00 N ATOM 157 CA CYS A 13 -10.384 4.289 -7.898 1.00 0.00 C ATOM 158 C CYS A 13 -10.946 3.174 -7.015 1.00 0.00 C ATOM 159 O CYS A 13 -10.742 2.004 -7.271 1.00 0.00 O ATOM 160 CB CYS A 13 -8.875 4.412 -7.677 1.00 0.00 C ATOM 161 SG CYS A 13 -8.014 3.999 -9.215 1.00 0.00 S ATOM 0 H CYS A 13 -10.438 6.258 -7.083 1.00 0.00 H new ATOM 0 HA CYS A 13 -10.578 4.052 -8.944 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -8.622 5.425 -7.365 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -8.557 3.744 -6.877 1.00 0.00 H new ATOM 166 N CYS A 14 -11.654 3.528 -5.976 1.00 0.00 N ATOM 167 CA CYS A 14 -12.230 2.488 -5.078 1.00 0.00 C ATOM 168 C CYS A 14 -13.730 2.725 -4.916 1.00 0.00 C ATOM 169 O CYS A 14 -14.157 3.634 -4.232 1.00 0.00 O ATOM 170 CB CYS A 14 -11.549 2.557 -3.711 1.00 0.00 C ATOM 171 SG CYS A 14 -10.639 1.022 -3.415 1.00 0.00 S ATOM 0 H CYS A 14 -11.858 4.492 -5.711 1.00 0.00 H new ATOM 0 HA CYS A 14 -12.065 1.503 -5.514 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -10.870 3.409 -3.673 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -12.293 2.708 -2.929 1.00 0.00 H new ATOM 176 N ASP A 15 -14.536 1.910 -5.539 1.00 0.00 N ATOM 177 CA ASP A 15 -16.009 2.083 -5.421 1.00 0.00 C ATOM 178 C ASP A 15 -16.405 2.047 -3.947 1.00 0.00 C ATOM 179 O ASP A 15 -16.103 1.105 -3.238 1.00 0.00 O ATOM 180 CB ASP A 15 -16.721 0.948 -6.157 1.00 0.00 C ATOM 181 CG ASP A 15 -18.074 1.445 -6.672 1.00 0.00 C ATOM 182 OD1 ASP A 15 -18.333 2.630 -6.550 1.00 0.00 O ATOM 183 OD2 ASP A 15 -18.827 0.630 -7.178 1.00 0.00 O ATOM 0 H ASP A 15 -14.236 1.131 -6.125 1.00 0.00 H new ATOM 0 HA ASP A 15 -16.296 3.039 -5.859 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -16.109 0.599 -6.989 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -16.864 0.099 -5.488 1.00 0.00 H new ATOM 188 N ALA A 16 -17.084 3.060 -3.482 1.00 0.00 N ATOM 189 CA ALA A 16 -17.509 3.083 -2.056 1.00 0.00 C ATOM 190 C ALA A 16 -18.632 2.065 -1.853 1.00 0.00 C ATOM 191 O ALA A 16 -18.673 1.359 -0.867 1.00 0.00 O ATOM 192 CB ALA A 16 -18.014 4.482 -1.697 1.00 0.00 C ATOM 0 H ALA A 16 -17.363 3.874 -4.030 1.00 0.00 H new ATOM 0 HA ALA A 16 -16.664 2.830 -1.415 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -18.325 4.499 -0.653 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -17.215 5.208 -1.850 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -18.862 4.737 -2.333 1.00 0.00 H new ATOM 198 N ALA A 17 -19.542 1.979 -2.787 1.00 0.00 N ATOM 199 CA ALA A 17 -20.657 1.000 -2.650 1.00 0.00 C ATOM 200 C ALA A 17 -20.075 -0.370 -2.304 1.00 0.00 C ATOM 201 O ALA A 17 -20.658 -1.137 -1.562 1.00 0.00 O ATOM 202 CB ALA A 17 -21.423 0.912 -3.972 1.00 0.00 C ATOM 0 H ALA A 17 -19.561 2.543 -3.636 1.00 0.00 H new ATOM 0 HA ALA A 17 -21.337 1.321 -1.861 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -22.239 0.196 -3.873 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -21.829 1.892 -4.223 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -20.748 0.585 -4.763 1.00 0.00 H new ATOM 208 N THR A 18 -18.921 -0.679 -2.829 1.00 0.00 N ATOM 209 CA THR A 18 -18.288 -1.993 -2.528 1.00 0.00 C ATOM 210 C THR A 18 -17.065 -1.762 -1.639 1.00 0.00 C ATOM 211 O THR A 18 -16.541 -2.676 -1.033 1.00 0.00 O ATOM 212 CB THR A 18 -17.853 -2.662 -3.834 1.00 0.00 C ATOM 213 OG1 THR A 18 -16.600 -2.130 -4.240 1.00 0.00 O ATOM 214 CG2 THR A 18 -18.899 -2.399 -4.918 1.00 0.00 C ATOM 0 H THR A 18 -18.388 -0.076 -3.455 1.00 0.00 H new ATOM 0 HA THR A 18 -19.001 -2.638 -2.015 1.00 0.00 H new ATOM 0 HB THR A 18 -17.759 -3.737 -3.680 1.00 0.00 H new ATOM 0 HG1 THR A 18 -16.318 -2.558 -5.075 1.00 0.00 H new ATOM 0 HG21 THR A 18 -18.588 -2.876 -5.847 1.00 0.00 H new ATOM 0 HG22 THR A 18 -19.859 -2.808 -4.604 1.00 0.00 H new ATOM 0 HG23 THR A 18 -18.997 -1.325 -5.076 1.00 0.00 H new ATOM 222 N CYS A 19 -16.607 -0.542 -1.560 1.00 0.00 N ATOM 223 CA CYS A 19 -15.416 -0.241 -0.715 1.00 0.00 C ATOM 224 C CYS A 19 -14.163 -0.813 -1.378 1.00 0.00 C ATOM 225 O CYS A 19 -13.091 -0.807 -0.807 1.00 0.00 O ATOM 226 CB CYS A 19 -15.597 -0.880 0.665 1.00 0.00 C ATOM 227 SG CYS A 19 -14.919 0.215 1.937 1.00 0.00 S ATOM 0 H CYS A 19 -17.007 0.261 -2.045 1.00 0.00 H new ATOM 0 HA CYS A 19 -15.310 0.838 -0.607 1.00 0.00 H new ATOM 0 HB2 CYS A 19 -16.654 -1.064 0.856 1.00 0.00 H new ATOM 0 HB3 CYS A 19 -15.094 -1.847 0.698 1.00 0.00 H new ATOM 232 N LYS A 20 -14.286 -1.309 -2.579 1.00 0.00 N ATOM 233 CA LYS A 20 -13.092 -1.888 -3.261 1.00 0.00 C ATOM 234 C LYS A 20 -12.787 -1.114 -4.544 1.00 0.00 C ATOM 235 O LYS A 20 -13.312 -0.044 -4.779 1.00 0.00 O ATOM 236 CB LYS A 20 -13.357 -3.356 -3.609 1.00 0.00 C ATOM 237 CG LYS A 20 -14.068 -4.047 -2.442 1.00 0.00 C ATOM 238 CD LYS A 20 -14.352 -5.506 -2.811 1.00 0.00 C ATOM 239 CE LYS A 20 -15.036 -5.562 -4.177 1.00 0.00 C ATOM 240 NZ LYS A 20 -16.133 -6.571 -4.143 1.00 0.00 N ATOM 0 H LYS A 20 -15.154 -1.339 -3.114 1.00 0.00 H new ATOM 0 HA LYS A 20 -12.237 -1.817 -2.588 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -13.969 -3.421 -4.509 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -12.417 -3.863 -3.825 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -13.449 -4.001 -1.546 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -15.000 -3.530 -2.212 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -13.422 -6.074 -2.834 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -14.988 -5.966 -2.055 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -15.437 -4.582 -4.435 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -14.311 -5.823 -4.948 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -16.598 -6.609 -5.072 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -15.738 -7.506 -3.915 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -16.829 -6.303 -3.418 1.00 0.00 H new ATOM 254 N LEU A 21 -11.932 -1.651 -5.372 1.00 0.00 N ATOM 255 CA LEU A 21 -11.574 -0.956 -6.642 1.00 0.00 C ATOM 256 C LEU A 21 -12.715 -1.099 -7.650 1.00 0.00 C ATOM 257 O LEU A 21 -13.108 -2.190 -8.009 1.00 0.00 O ATOM 258 CB LEU A 21 -10.304 -1.580 -7.222 1.00 0.00 C ATOM 259 CG LEU A 21 -9.092 -1.117 -6.413 1.00 0.00 C ATOM 260 CD1 LEU A 21 -8.199 -2.318 -6.101 1.00 0.00 C ATOM 261 CD2 LEU A 21 -8.298 -0.092 -7.228 1.00 0.00 C ATOM 0 H LEU A 21 -11.464 -2.545 -5.223 1.00 0.00 H new ATOM 0 HA LEU A 21 -11.404 0.101 -6.438 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -10.377 -2.667 -7.198 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -10.189 -1.291 -8.267 1.00 0.00 H new ATOM 0 HG LEU A 21 -9.429 -0.662 -5.482 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -7.335 -1.989 -5.524 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -8.763 -3.050 -5.523 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -7.862 -2.772 -7.033 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -7.433 0.239 -6.653 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -7.961 -0.549 -8.158 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -8.933 0.764 -7.454 1.00 0.00 H new ATOM 273 N ARG A 22 -13.241 -0.001 -8.121 1.00 0.00 N ATOM 274 CA ARG A 22 -14.345 -0.073 -9.116 1.00 0.00 C ATOM 275 C ARG A 22 -13.784 -0.502 -10.476 1.00 0.00 C ATOM 276 O ARG A 22 -14.302 -1.411 -11.094 1.00 0.00 O ATOM 277 CB ARG A 22 -15.016 1.297 -9.249 1.00 0.00 C ATOM 278 CG ARG A 22 -16.530 1.110 -9.379 1.00 0.00 C ATOM 279 CD ARG A 22 -16.901 0.967 -10.856 1.00 0.00 C ATOM 280 NE ARG A 22 -18.115 0.114 -10.985 1.00 0.00 N ATOM 281 CZ ARG A 22 -18.994 0.367 -11.917 1.00 0.00 C ATOM 282 NH1 ARG A 22 -18.603 0.810 -13.080 1.00 0.00 N ATOM 283 NH2 ARG A 22 -20.264 0.175 -11.684 1.00 0.00 N ATOM 0 H ARG A 22 -12.953 0.942 -7.859 1.00 0.00 H new ATOM 0 HA ARG A 22 -15.082 -0.802 -8.780 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -14.788 1.912 -8.379 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -14.627 1.822 -10.121 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -16.847 0.226 -8.826 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -17.051 1.962 -8.943 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -17.086 1.949 -11.292 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -16.072 0.524 -11.408 1.00 0.00 H new ATOM 0 HE ARG A 22 -18.260 -0.667 -10.346 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -17.610 0.959 -13.262 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -19.290 1.007 -13.808 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -20.569 -0.172 -10.775 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -20.951 0.372 -12.411 1.00 0.00 H new ATOM 297 N PRO A 23 -12.736 0.162 -10.906 1.00 0.00 N ATOM 298 CA PRO A 23 -12.086 -0.138 -12.193 1.00 0.00 C ATOM 299 C PRO A 23 -11.179 -1.364 -12.051 1.00 0.00 C ATOM 300 O PRO A 23 -11.280 -2.116 -11.103 1.00 0.00 O ATOM 301 CB PRO A 23 -11.262 1.121 -12.481 1.00 0.00 C ATOM 302 CG PRO A 23 -11.031 1.814 -11.116 1.00 0.00 C ATOM 303 CD PRO A 23 -12.104 1.269 -10.155 1.00 0.00 C ATOM 0 HA PRO A 23 -12.792 -0.369 -12.991 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -10.313 0.865 -12.952 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -11.790 1.782 -13.168 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -10.030 1.602 -10.739 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -11.112 2.897 -11.213 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -11.662 0.917 -9.223 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -12.831 2.038 -9.892 1.00 0.00 H new ATOM 311 N GLY A 24 -10.292 -1.571 -12.986 1.00 0.00 N ATOM 312 CA GLY A 24 -9.380 -2.747 -12.898 1.00 0.00 C ATOM 313 C GLY A 24 -8.063 -2.315 -12.254 1.00 0.00 C ATOM 314 O GLY A 24 -6.998 -2.763 -12.630 1.00 0.00 O ATOM 0 H GLY A 24 -10.159 -0.978 -13.805 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -9.844 -3.539 -12.310 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -9.196 -3.155 -13.892 1.00 0.00 H new ATOM 318 N ALA A 25 -8.126 -1.441 -11.286 1.00 0.00 N ATOM 319 CA ALA A 25 -6.879 -0.972 -10.618 1.00 0.00 C ATOM 320 C ALA A 25 -6.493 -1.948 -9.502 1.00 0.00 C ATOM 321 O ALA A 25 -7.336 -2.588 -8.906 1.00 0.00 O ATOM 322 CB ALA A 25 -7.116 0.417 -10.023 1.00 0.00 C ATOM 0 H ALA A 25 -8.989 -1.031 -10.929 1.00 0.00 H new ATOM 0 HA ALA A 25 -6.071 -0.924 -11.349 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -6.206 0.763 -9.533 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -7.387 1.112 -10.818 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -7.924 0.367 -9.293 1.00 0.00 H new ATOM 328 N GLN A 26 -5.224 -2.067 -9.216 1.00 0.00 N ATOM 329 CA GLN A 26 -4.789 -3.003 -8.143 1.00 0.00 C ATOM 330 C GLN A 26 -5.007 -2.356 -6.774 1.00 0.00 C ATOM 331 O GLN A 26 -5.092 -3.031 -5.767 1.00 0.00 O ATOM 332 CB GLN A 26 -3.306 -3.328 -8.321 1.00 0.00 C ATOM 333 CG GLN A 26 -3.142 -4.823 -8.605 1.00 0.00 C ATOM 334 CD GLN A 26 -3.073 -5.053 -10.116 1.00 0.00 C ATOM 335 OE1 GLN A 26 -2.270 -4.448 -10.798 1.00 0.00 O ATOM 336 NE2 GLN A 26 -3.887 -5.908 -10.670 1.00 0.00 N ATOM 0 H GLN A 26 -4.472 -1.557 -9.679 1.00 0.00 H new ATOM 0 HA GLN A 26 -5.374 -3.920 -8.206 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -2.891 -2.743 -9.142 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -2.752 -3.055 -7.423 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -2.236 -5.197 -8.128 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -3.978 -5.378 -8.180 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -4.561 -6.416 -10.097 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -3.850 -6.069 -11.676 1.00 0.00 H new ATOM 345 N CYS A 27 -5.095 -1.056 -6.724 1.00 0.00 N ATOM 346 CA CYS A 27 -5.302 -0.378 -5.413 1.00 0.00 C ATOM 347 C CYS A 27 -5.730 1.073 -5.651 1.00 0.00 C ATOM 348 O CYS A 27 -5.349 1.697 -6.620 1.00 0.00 O ATOM 349 CB CYS A 27 -3.989 -0.440 -4.607 1.00 0.00 C ATOM 350 SG CYS A 27 -3.779 1.027 -3.554 1.00 0.00 S ATOM 0 H CYS A 27 -5.033 -0.435 -7.531 1.00 0.00 H new ATOM 0 HA CYS A 27 -6.088 -0.878 -4.847 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -3.984 -1.337 -3.987 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -3.145 -0.521 -5.292 1.00 0.00 H new ATOM 355 N GLY A 28 -6.508 1.612 -4.755 1.00 0.00 N ATOM 356 CA GLY A 28 -6.951 3.022 -4.902 1.00 0.00 C ATOM 357 C GLY A 28 -6.021 3.909 -4.088 1.00 0.00 C ATOM 358 O GLY A 28 -5.748 5.039 -4.442 1.00 0.00 O ATOM 0 H GLY A 28 -6.856 1.133 -3.925 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -6.933 3.317 -5.951 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -7.979 3.134 -4.557 1.00 0.00 H new ATOM 362 N GLU A 29 -5.533 3.404 -2.994 1.00 0.00 N ATOM 363 CA GLU A 29 -4.620 4.210 -2.149 1.00 0.00 C ATOM 364 C GLU A 29 -3.617 3.285 -1.449 1.00 0.00 C ATOM 365 O GLU A 29 -3.941 2.175 -1.075 1.00 0.00 O ATOM 366 CB GLU A 29 -5.455 4.958 -1.118 1.00 0.00 C ATOM 367 CG GLU A 29 -5.996 3.968 -0.088 1.00 0.00 C ATOM 368 CD GLU A 29 -5.081 3.955 1.138 1.00 0.00 C ATOM 369 OE1 GLU A 29 -4.079 3.259 1.098 1.00 0.00 O ATOM 370 OE2 GLU A 29 -5.397 4.641 2.097 1.00 0.00 O ATOM 0 H GLU A 29 -5.729 2.464 -2.649 1.00 0.00 H new ATOM 0 HA GLU A 29 -4.066 4.922 -2.761 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -4.849 5.718 -0.625 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -6.279 5.476 -1.608 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -7.008 4.247 0.204 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -6.053 2.970 -0.523 1.00 0.00 H new ATOM 377 N GLY A 30 -2.402 3.731 -1.264 1.00 0.00 N ATOM 378 CA GLY A 30 -1.386 2.872 -0.588 1.00 0.00 C ATOM 379 C GLY A 30 0.020 3.398 -0.901 1.00 0.00 C ATOM 380 O GLY A 30 0.226 4.091 -1.876 1.00 0.00 O ATOM 0 H GLY A 30 -2.070 4.652 -1.551 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -1.554 2.871 0.489 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -1.483 1.841 -0.927 1.00 0.00 H new ATOM 384 N LEU A 31 0.986 3.076 -0.080 1.00 0.00 N ATOM 385 CA LEU A 31 2.374 3.561 -0.332 1.00 0.00 C ATOM 386 C LEU A 31 2.893 2.970 -1.645 1.00 0.00 C ATOM 387 O LEU A 31 3.735 3.543 -2.306 1.00 0.00 O ATOM 388 CB LEU A 31 3.286 3.119 0.816 1.00 0.00 C ATOM 389 CG LEU A 31 3.402 4.243 1.847 1.00 0.00 C ATOM 390 CD1 LEU A 31 4.198 5.403 1.250 1.00 0.00 C ATOM 391 CD2 LEU A 31 2.003 4.729 2.233 1.00 0.00 C ATOM 0 H LEU A 31 0.873 2.499 0.753 1.00 0.00 H new ATOM 0 HA LEU A 31 2.369 4.649 -0.398 1.00 0.00 H new ATOM 0 HB2 LEU A 31 2.885 2.221 1.287 1.00 0.00 H new ATOM 0 HB3 LEU A 31 4.273 2.863 0.431 1.00 0.00 H new ATOM 0 HG LEU A 31 3.914 3.870 2.734 1.00 0.00 H new ATOM 0 HD11 LEU A 31 4.281 6.204 1.985 1.00 0.00 H new ATOM 0 HD12 LEU A 31 5.195 5.057 0.976 1.00 0.00 H new ATOM 0 HD13 LEU A 31 3.687 5.776 0.362 1.00 0.00 H new ATOM 0 HD21 LEU A 31 2.086 5.530 2.968 1.00 0.00 H new ATOM 0 HD22 LEU A 31 1.490 5.101 1.346 1.00 0.00 H new ATOM 0 HD23 LEU A 31 1.436 3.902 2.660 1.00 0.00 H new ATOM 403 N CYS A 32 2.400 1.824 -2.022 1.00 0.00 N ATOM 404 CA CYS A 32 2.865 1.189 -3.287 1.00 0.00 C ATOM 405 C CYS A 32 1.750 1.237 -4.330 1.00 0.00 C ATOM 406 O CYS A 32 1.587 0.329 -5.121 1.00 0.00 O ATOM 407 CB CYS A 32 3.238 -0.268 -3.013 1.00 0.00 C ATOM 408 SG CYS A 32 4.965 -0.539 -3.471 1.00 0.00 S ATOM 0 H CYS A 32 1.693 1.298 -1.508 1.00 0.00 H new ATOM 0 HA CYS A 32 3.734 1.729 -3.663 1.00 0.00 H new ATOM 0 HB2 CYS A 32 3.088 -0.502 -1.959 1.00 0.00 H new ATOM 0 HB3 CYS A 32 2.590 -0.934 -3.582 1.00 0.00 H new ATOM 413 N CYS A 33 0.981 2.287 -4.343 1.00 0.00 N ATOM 414 CA CYS A 33 -0.118 2.386 -5.340 1.00 0.00 C ATOM 415 C CYS A 33 0.175 3.532 -6.310 1.00 0.00 C ATOM 416 O CYS A 33 -0.311 4.634 -6.149 1.00 0.00 O ATOM 417 CB CYS A 33 -1.442 2.647 -4.617 1.00 0.00 C ATOM 418 SG CYS A 33 -1.776 1.292 -3.463 1.00 0.00 S ATOM 0 H CYS A 33 1.065 3.080 -3.707 1.00 0.00 H new ATOM 0 HA CYS A 33 -0.190 1.452 -5.897 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -1.395 3.594 -4.079 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -2.253 2.732 -5.340 1.00 0.00 H new ATOM 423 N GLU A 34 0.959 3.278 -7.321 1.00 0.00 N ATOM 424 CA GLU A 34 1.279 4.344 -8.308 1.00 0.00 C ATOM 425 C GLU A 34 0.278 4.258 -9.455 1.00 0.00 C ATOM 426 O GLU A 34 0.217 3.272 -10.164 1.00 0.00 O ATOM 427 CB GLU A 34 2.697 4.139 -8.849 1.00 0.00 C ATOM 428 CG GLU A 34 3.587 3.563 -7.747 1.00 0.00 C ATOM 429 CD GLU A 34 5.054 3.673 -8.167 1.00 0.00 C ATOM 430 OE1 GLU A 34 5.376 3.219 -9.253 1.00 0.00 O ATOM 431 OE2 GLU A 34 5.832 4.208 -7.395 1.00 0.00 O ATOM 0 H GLU A 34 1.393 2.374 -7.506 1.00 0.00 H new ATOM 0 HA GLU A 34 1.220 5.322 -7.831 1.00 0.00 H new ATOM 0 HB2 GLU A 34 2.677 3.464 -9.704 1.00 0.00 H new ATOM 0 HB3 GLU A 34 3.104 5.087 -9.201 1.00 0.00 H new ATOM 0 HG2 GLU A 34 3.423 4.102 -6.814 1.00 0.00 H new ATOM 0 HG3 GLU A 34 3.327 2.520 -7.563 1.00 0.00 H new ATOM 438 N GLN A 35 -0.521 5.268 -9.638 1.00 0.00 N ATOM 439 CA GLN A 35 -1.526 5.218 -10.730 1.00 0.00 C ATOM 440 C GLN A 35 -2.530 4.109 -10.414 1.00 0.00 C ATOM 441 O GLN A 35 -2.973 3.386 -11.284 1.00 0.00 O ATOM 442 CB GLN A 35 -0.826 4.922 -12.060 1.00 0.00 C ATOM 443 CG GLN A 35 -1.418 5.811 -13.158 1.00 0.00 C ATOM 444 CD GLN A 35 -0.309 6.665 -13.778 1.00 0.00 C ATOM 445 OE1 GLN A 35 0.854 6.489 -13.472 1.00 0.00 O ATOM 446 NE2 GLN A 35 -0.622 7.591 -14.644 1.00 0.00 N ATOM 0 H GLN A 35 -0.522 6.123 -9.081 1.00 0.00 H new ATOM 0 HA GLN A 35 -2.042 6.175 -10.810 1.00 0.00 H new ATOM 0 HB2 GLN A 35 0.245 5.104 -11.968 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -0.949 3.871 -12.322 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -1.889 5.195 -13.924 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -2.195 6.452 -12.742 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -1.598 7.740 -14.902 1.00 0.00 H new ATOM 0 HE22 GLN A 35 0.109 8.166 -15.063 1.00 0.00 H new ATOM 455 N CYS A 36 -2.883 3.969 -9.164 1.00 0.00 N ATOM 456 CA CYS A 36 -3.852 2.910 -8.765 1.00 0.00 C ATOM 457 C CYS A 36 -3.264 1.530 -9.068 1.00 0.00 C ATOM 458 O CYS A 36 -3.949 0.528 -9.015 1.00 0.00 O ATOM 459 CB CYS A 36 -5.159 3.085 -9.538 1.00 0.00 C ATOM 460 SG CYS A 36 -6.085 4.480 -8.854 1.00 0.00 S ATOM 0 H CYS A 36 -2.539 4.548 -8.398 1.00 0.00 H new ATOM 0 HA CYS A 36 -4.050 2.994 -7.696 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -4.949 3.257 -10.594 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -5.755 2.174 -9.476 1.00 0.00 H new ATOM 465 N LYS A 37 -2.000 1.466 -9.386 1.00 0.00 N ATOM 466 CA LYS A 37 -1.377 0.148 -9.688 1.00 0.00 C ATOM 467 C LYS A 37 -0.366 -0.197 -8.595 1.00 0.00 C ATOM 468 O LYS A 37 0.060 0.654 -7.838 1.00 0.00 O ATOM 469 CB LYS A 37 -0.661 0.216 -11.039 1.00 0.00 C ATOM 470 CG LYS A 37 -1.241 -0.842 -11.980 1.00 0.00 C ATOM 471 CD LYS A 37 -2.302 -0.202 -12.876 1.00 0.00 C ATOM 472 CE LYS A 37 -1.691 0.122 -14.241 1.00 0.00 C ATOM 473 NZ LYS A 37 -2.155 1.467 -14.686 1.00 0.00 N ATOM 0 H LYS A 37 -1.373 2.268 -9.449 1.00 0.00 H new ATOM 0 HA LYS A 37 -2.151 -0.619 -9.726 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -0.778 1.208 -11.475 1.00 0.00 H new ATOM 0 HB3 LYS A 37 0.408 0.051 -10.904 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -0.448 -1.275 -12.590 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -1.680 -1.656 -11.403 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -3.148 -0.879 -12.996 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -2.684 0.707 -12.412 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -0.603 0.103 -14.178 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -1.981 -0.634 -14.970 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -1.740 1.688 -15.614 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -3.192 1.469 -14.761 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -1.857 2.184 -13.994 1.00 0.00 H new ATOM 487 N PHE A 38 0.025 -1.437 -8.508 1.00 0.00 N ATOM 488 CA PHE A 38 1.012 -1.835 -7.466 1.00 0.00 C ATOM 489 C PHE A 38 2.412 -1.422 -7.914 1.00 0.00 C ATOM 490 O PHE A 38 2.897 -1.860 -8.938 1.00 0.00 O ATOM 491 CB PHE A 38 0.984 -3.356 -7.286 1.00 0.00 C ATOM 492 CG PHE A 38 -0.139 -3.768 -6.357 1.00 0.00 C ATOM 493 CD1 PHE A 38 -1.042 -2.819 -5.857 1.00 0.00 C ATOM 494 CD2 PHE A 38 -0.269 -5.113 -5.993 1.00 0.00 C ATOM 495 CE1 PHE A 38 -2.070 -3.219 -4.996 1.00 0.00 C ATOM 496 CE2 PHE A 38 -1.299 -5.512 -5.134 1.00 0.00 C ATOM 497 CZ PHE A 38 -2.198 -4.565 -4.634 1.00 0.00 C ATOM 0 H PHE A 38 -0.296 -2.193 -9.113 1.00 0.00 H new ATOM 0 HA PHE A 38 0.759 -1.346 -6.525 1.00 0.00 H new ATOM 0 HB2 PHE A 38 0.856 -3.839 -8.255 1.00 0.00 H new ATOM 0 HB3 PHE A 38 1.938 -3.697 -6.884 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -0.944 -1.780 -6.136 1.00 0.00 H new ATOM 0 HD2 PHE A 38 0.427 -5.845 -6.376 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -2.765 -2.488 -4.610 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -1.400 -6.551 -4.857 1.00 0.00 H new ATOM 0 HZ PHE A 38 -2.991 -4.872 -3.968 1.00 0.00 H new ATOM 507 N SER A 39 3.074 -0.596 -7.151 1.00 0.00 N ATOM 508 CA SER A 39 4.449 -0.185 -7.536 1.00 0.00 C ATOM 509 C SER A 39 5.324 -1.437 -7.579 1.00 0.00 C ATOM 510 O SER A 39 4.862 -2.512 -7.909 1.00 0.00 O ATOM 511 CB SER A 39 5.002 0.798 -6.499 1.00 0.00 C ATOM 512 OG SER A 39 3.923 1.355 -5.761 1.00 0.00 O ATOM 0 H SER A 39 2.723 -0.191 -6.283 1.00 0.00 H new ATOM 0 HA SER A 39 4.440 0.303 -8.511 1.00 0.00 H new ATOM 0 HB2 SER A 39 5.692 0.287 -5.828 1.00 0.00 H new ATOM 0 HB3 SER A 39 5.566 1.588 -6.994 1.00 0.00 H new ATOM 0 HG SER A 39 4.147 2.272 -5.496 1.00 0.00 H new ATOM 518 N ARG A 40 6.573 -1.328 -7.241 1.00 0.00 N ATOM 519 CA ARG A 40 7.436 -2.539 -7.261 1.00 0.00 C ATOM 520 C ARG A 40 8.063 -2.737 -5.884 1.00 0.00 C ATOM 521 O ARG A 40 8.100 -1.836 -5.070 1.00 0.00 O ATOM 522 CB ARG A 40 8.542 -2.377 -8.304 1.00 0.00 C ATOM 523 CG ARG A 40 8.600 -3.629 -9.182 1.00 0.00 C ATOM 524 CD ARG A 40 8.496 -3.230 -10.654 1.00 0.00 C ATOM 525 NE ARG A 40 9.708 -2.458 -11.045 1.00 0.00 N ATOM 526 CZ ARG A 40 9.791 -1.934 -12.237 1.00 0.00 C ATOM 527 NH1 ARG A 40 9.575 -2.673 -13.291 1.00 0.00 N ATOM 528 NH2 ARG A 40 10.092 -0.671 -12.374 1.00 0.00 N ATOM 0 H ARG A 40 7.032 -0.464 -6.954 1.00 0.00 H new ATOM 0 HA ARG A 40 6.828 -3.407 -7.517 1.00 0.00 H new ATOM 0 HB2 ARG A 40 8.352 -1.497 -8.918 1.00 0.00 H new ATOM 0 HB3 ARG A 40 9.502 -2.220 -7.811 1.00 0.00 H new ATOM 0 HG2 ARG A 40 9.532 -4.166 -9.006 1.00 0.00 H new ATOM 0 HG3 ARG A 40 7.787 -4.307 -8.920 1.00 0.00 H new ATOM 0 HD2 ARG A 40 8.401 -4.119 -11.277 1.00 0.00 H new ATOM 0 HD3 ARG A 40 7.601 -2.630 -10.817 1.00 0.00 H new ATOM 0 HE ARG A 40 10.473 -2.339 -10.381 1.00 0.00 H new ATOM 0 HH11 ARG A 40 9.341 -3.660 -13.183 1.00 0.00 H new ATOM 0 HH12 ARG A 40 9.640 -2.264 -14.223 1.00 0.00 H new ATOM 0 HH21 ARG A 40 10.262 -0.095 -11.550 1.00 0.00 H new ATOM 0 HH22 ARG A 40 10.157 -0.260 -13.305 1.00 0.00 H new ATOM 542 N ALA A 41 8.562 -3.909 -5.620 1.00 0.00 N ATOM 543 CA ALA A 41 9.192 -4.169 -4.299 1.00 0.00 C ATOM 544 C ALA A 41 10.574 -3.530 -4.277 1.00 0.00 C ATOM 545 O ALA A 41 11.042 -3.008 -5.269 1.00 0.00 O ATOM 546 CB ALA A 41 9.315 -5.677 -4.071 1.00 0.00 C ATOM 0 H ALA A 41 8.561 -4.700 -6.264 1.00 0.00 H new ATOM 0 HA ALA A 41 8.576 -3.742 -3.507 1.00 0.00 H new ATOM 0 HB1 ALA A 41 9.777 -5.862 -3.101 1.00 0.00 H new ATOM 0 HB2 ALA A 41 8.324 -6.130 -4.093 1.00 0.00 H new ATOM 0 HB3 ALA A 41 9.931 -6.115 -4.856 1.00 0.00 H new ATOM 552 N GLY A 42 11.231 -3.547 -3.154 1.00 0.00 N ATOM 553 CA GLY A 42 12.571 -2.917 -3.087 1.00 0.00 C ATOM 554 C GLY A 42 12.387 -1.407 -3.198 1.00 0.00 C ATOM 555 O GLY A 42 13.269 -0.692 -3.630 1.00 0.00 O ATOM 0 H GLY A 42 10.899 -3.967 -2.286 1.00 0.00 H new ATOM 0 HA2 GLY A 42 13.066 -3.173 -2.150 1.00 0.00 H new ATOM 0 HA3 GLY A 42 13.206 -3.284 -3.894 1.00 0.00 H new ATOM 559 N LYS A 43 11.234 -0.915 -2.822 1.00 0.00 N ATOM 560 CA LYS A 43 10.995 0.558 -2.926 1.00 0.00 C ATOM 561 C LYS A 43 10.887 1.156 -1.517 1.00 0.00 C ATOM 562 O LYS A 43 10.029 0.793 -0.748 1.00 0.00 O ATOM 563 CB LYS A 43 9.709 0.798 -3.751 1.00 0.00 C ATOM 564 CG LYS A 43 8.838 1.903 -3.132 1.00 0.00 C ATOM 565 CD LYS A 43 9.524 3.257 -3.316 1.00 0.00 C ATOM 566 CE LYS A 43 9.909 3.434 -4.786 1.00 0.00 C ATOM 567 NZ LYS A 43 10.043 4.886 -5.096 1.00 0.00 N ATOM 0 H LYS A 43 10.456 -1.461 -2.452 1.00 0.00 H new ATOM 0 HA LYS A 43 11.825 1.050 -3.434 1.00 0.00 H new ATOM 0 HB2 LYS A 43 9.977 1.073 -4.771 1.00 0.00 H new ATOM 0 HB3 LYS A 43 9.136 -0.127 -3.810 1.00 0.00 H new ATOM 0 HG2 LYS A 43 7.856 1.914 -3.605 1.00 0.00 H new ATOM 0 HG3 LYS A 43 8.680 1.705 -2.072 1.00 0.00 H new ATOM 0 HD2 LYS A 43 8.857 4.061 -3.004 1.00 0.00 H new ATOM 0 HD3 LYS A 43 10.412 3.316 -2.686 1.00 0.00 H new ATOM 0 HE2 LYS A 43 10.848 2.920 -4.991 1.00 0.00 H new ATOM 0 HE3 LYS A 43 9.152 2.983 -5.428 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 10.305 5.005 -6.095 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 9.137 5.364 -4.916 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 10.781 5.303 -4.493 1.00 0.00 H new ATOM 581 N ILE A 44 11.758 2.065 -1.174 1.00 0.00 N ATOM 582 CA ILE A 44 11.706 2.670 0.189 1.00 0.00 C ATOM 583 C ILE A 44 10.321 3.316 0.426 1.00 0.00 C ATOM 584 O ILE A 44 10.130 4.508 0.298 1.00 0.00 O ATOM 585 CB ILE A 44 12.844 3.696 0.323 1.00 0.00 C ATOM 586 CG1 ILE A 44 13.155 3.946 1.804 1.00 0.00 C ATOM 587 CG2 ILE A 44 12.461 5.009 -0.348 1.00 0.00 C ATOM 588 CD1 ILE A 44 11.868 4.253 2.570 1.00 0.00 C ATOM 0 H ILE A 44 12.503 2.415 -1.777 1.00 0.00 H new ATOM 0 HA ILE A 44 11.843 1.902 0.950 1.00 0.00 H new ATOM 0 HB ILE A 44 13.730 3.294 -0.169 1.00 0.00 H new ATOM 0 HG12 ILE A 44 13.642 3.071 2.233 1.00 0.00 H new ATOM 0 HG13 ILE A 44 13.852 4.778 1.901 1.00 0.00 H new ATOM 0 HG21 ILE A 44 13.278 5.723 -0.243 1.00 0.00 H new ATOM 0 HG22 ILE A 44 12.266 4.834 -1.406 1.00 0.00 H new ATOM 0 HG23 ILE A 44 11.565 5.411 0.124 1.00 0.00 H new ATOM 0 HD11 ILE A 44 12.103 4.428 3.620 1.00 0.00 H new ATOM 0 HD12 ILE A 44 11.398 5.142 2.150 1.00 0.00 H new ATOM 0 HD13 ILE A 44 11.185 3.408 2.487 1.00 0.00 H new ATOM 600 N CYS A 45 9.348 2.514 0.764 1.00 0.00 N ATOM 601 CA CYS A 45 7.970 3.045 1.006 1.00 0.00 C ATOM 602 C CYS A 45 7.991 4.080 2.131 1.00 0.00 C ATOM 603 O CYS A 45 7.302 5.081 2.078 1.00 0.00 O ATOM 604 CB CYS A 45 7.042 1.897 1.412 1.00 0.00 C ATOM 605 SG CYS A 45 7.915 0.777 2.535 1.00 0.00 S ATOM 0 H CYS A 45 9.447 1.506 0.884 1.00 0.00 H new ATOM 0 HA CYS A 45 7.611 3.512 0.089 1.00 0.00 H new ATOM 0 HB2 CYS A 45 6.150 2.292 1.897 1.00 0.00 H new ATOM 0 HB3 CYS A 45 6.710 1.354 0.527 1.00 0.00 H new ATOM 610 N ARG A 46 8.759 3.845 3.156 1.00 0.00 N ATOM 611 CA ARG A 46 8.800 4.816 4.286 1.00 0.00 C ATOM 612 C ARG A 46 10.165 4.764 4.972 1.00 0.00 C ATOM 613 O ARG A 46 10.863 3.772 4.919 1.00 0.00 O ATOM 614 CB ARG A 46 7.710 4.456 5.296 1.00 0.00 C ATOM 615 CG ARG A 46 7.345 5.696 6.116 1.00 0.00 C ATOM 616 CD ARG A 46 6.102 5.402 6.959 1.00 0.00 C ATOM 617 NE ARG A 46 6.394 4.292 7.909 1.00 0.00 N ATOM 618 CZ ARG A 46 5.922 4.332 9.124 1.00 0.00 C ATOM 619 NH1 ARG A 46 6.382 5.209 9.974 1.00 0.00 N ATOM 620 NH2 ARG A 46 4.989 3.496 9.489 1.00 0.00 N ATOM 0 H ARG A 46 9.358 3.027 3.262 1.00 0.00 H new ATOM 0 HA ARG A 46 8.633 5.822 3.902 1.00 0.00 H new ATOM 0 HB2 ARG A 46 6.829 4.078 4.777 1.00 0.00 H new ATOM 0 HB3 ARG A 46 8.058 3.661 5.955 1.00 0.00 H new ATOM 0 HG2 ARG A 46 8.177 5.976 6.761 1.00 0.00 H new ATOM 0 HG3 ARG A 46 7.157 6.541 5.454 1.00 0.00 H new ATOM 0 HD2 ARG A 46 5.803 6.295 7.508 1.00 0.00 H new ATOM 0 HD3 ARG A 46 5.267 5.131 6.312 1.00 0.00 H new ATOM 0 HE ARG A 46 6.963 3.501 7.609 1.00 0.00 H new ATOM 0 HH11 ARG A 46 7.111 5.863 9.688 1.00 0.00 H new ATOM 0 HH12 ARG A 46 6.013 5.240 10.924 1.00 0.00 H new ATOM 0 HH21 ARG A 46 4.629 2.811 8.824 1.00 0.00 H new ATOM 0 HH22 ARG A 46 4.620 3.527 10.439 1.00 0.00 H new ATOM 634 N ILE A 47 10.544 5.831 5.622 1.00 0.00 N ATOM 635 CA ILE A 47 11.859 5.856 6.320 1.00 0.00 C ATOM 636 C ILE A 47 11.710 5.212 7.706 1.00 0.00 C ATOM 637 O ILE A 47 10.744 5.447 8.406 1.00 0.00 O ATOM 638 CB ILE A 47 12.337 7.317 6.439 1.00 0.00 C ATOM 639 CG1 ILE A 47 13.859 7.365 6.293 1.00 0.00 C ATOM 640 CG2 ILE A 47 11.936 7.917 7.792 1.00 0.00 C ATOM 641 CD1 ILE A 47 14.500 6.366 7.257 1.00 0.00 C ATOM 0 H ILE A 47 9.997 6.688 5.699 1.00 0.00 H new ATOM 0 HA ILE A 47 12.600 5.291 5.755 1.00 0.00 H new ATOM 0 HB ILE A 47 11.866 7.901 5.649 1.00 0.00 H new ATOM 0 HG12 ILE A 47 14.143 7.129 5.267 1.00 0.00 H new ATOM 0 HG13 ILE A 47 14.223 8.371 6.502 1.00 0.00 H new ATOM 0 HG21 ILE A 47 12.285 8.948 7.851 1.00 0.00 H new ATOM 0 HG22 ILE A 47 10.851 7.895 7.893 1.00 0.00 H new ATOM 0 HG23 ILE A 47 12.387 7.335 8.596 1.00 0.00 H new ATOM 0 HD11 ILE A 47 15.584 6.402 7.151 1.00 0.00 H new ATOM 0 HD12 ILE A 47 14.227 6.622 8.281 1.00 0.00 H new ATOM 0 HD13 ILE A 47 14.146 5.361 7.028 1.00 0.00 H new ATOM 653 N ALA A 48 12.652 4.403 8.103 1.00 0.00 N ATOM 654 CA ALA A 48 12.557 3.747 9.438 1.00 0.00 C ATOM 655 C ALA A 48 12.750 4.789 10.542 1.00 0.00 C ATOM 656 O ALA A 48 13.617 5.637 10.464 1.00 0.00 O ATOM 657 CB ALA A 48 13.643 2.676 9.556 1.00 0.00 C ATOM 0 H ALA A 48 13.484 4.167 7.561 1.00 0.00 H new ATOM 0 HA ALA A 48 11.574 3.287 9.544 1.00 0.00 H new ATOM 0 HB1 ALA A 48 13.575 2.195 10.532 1.00 0.00 H new ATOM 0 HB2 ALA A 48 13.505 1.930 8.773 1.00 0.00 H new ATOM 0 HB3 ALA A 48 14.624 3.139 9.447 1.00 0.00 H new ATOM 663 N ARG A 49 11.951 4.730 11.573 1.00 0.00 N ATOM 664 CA ARG A 49 12.093 5.713 12.684 1.00 0.00 C ATOM 665 C ARG A 49 13.107 5.184 13.700 1.00 0.00 C ATOM 666 O ARG A 49 12.822 4.285 14.465 1.00 0.00 O ATOM 667 CB ARG A 49 10.739 5.910 13.370 1.00 0.00 C ATOM 668 CG ARG A 49 9.750 6.533 12.382 1.00 0.00 C ATOM 669 CD ARG A 49 9.865 8.057 12.441 1.00 0.00 C ATOM 670 NE ARG A 49 9.722 8.511 13.853 1.00 0.00 N ATOM 671 CZ ARG A 49 8.642 8.218 14.524 1.00 0.00 C ATOM 672 NH1 ARG A 49 7.475 8.280 13.944 1.00 0.00 N ATOM 673 NH2 ARG A 49 8.730 7.863 15.778 1.00 0.00 N ATOM 0 H ARG A 49 11.206 4.043 11.693 1.00 0.00 H new ATOM 0 HA ARG A 49 12.438 6.667 12.285 1.00 0.00 H new ATOM 0 HB2 ARG A 49 10.358 4.953 13.727 1.00 0.00 H new ATOM 0 HB3 ARG A 49 10.852 6.554 14.242 1.00 0.00 H new ATOM 0 HG2 ARG A 49 9.957 6.180 11.372 1.00 0.00 H new ATOM 0 HG3 ARG A 49 8.733 6.224 12.625 1.00 0.00 H new ATOM 0 HD2 ARG A 49 10.828 8.376 12.041 1.00 0.00 H new ATOM 0 HD3 ARG A 49 9.095 8.515 11.821 1.00 0.00 H new ATOM 0 HE ARG A 49 10.467 9.050 14.294 1.00 0.00 H new ATOM 0 HH11 ARG A 49 7.406 8.558 12.965 1.00 0.00 H new ATOM 0 HH12 ARG A 49 6.631 8.051 14.470 1.00 0.00 H new ATOM 0 HH21 ARG A 49 9.642 7.815 16.232 1.00 0.00 H new ATOM 0 HH22 ARG A 49 7.886 7.634 16.304 1.00 0.00 H new ATOM 687 N GLY A 50 14.290 5.734 13.711 1.00 0.00 N ATOM 688 CA GLY A 50 15.322 5.260 14.675 1.00 0.00 C ATOM 689 C GLY A 50 16.699 5.324 14.013 1.00 0.00 C ATOM 690 O GLY A 50 17.273 6.383 13.854 1.00 0.00 O ATOM 0 H GLY A 50 14.586 6.491 13.094 1.00 0.00 H new ATOM 0 HA2 GLY A 50 15.308 5.878 15.573 1.00 0.00 H new ATOM 0 HA3 GLY A 50 15.103 4.239 14.987 1.00 0.00 H new ATOM 694 N ASP A 51 17.232 4.199 13.623 1.00 0.00 N ATOM 695 CA ASP A 51 18.571 4.196 12.968 1.00 0.00 C ATOM 696 C ASP A 51 18.920 2.775 12.520 1.00 0.00 C ATOM 697 O ASP A 51 19.963 2.249 12.854 1.00 0.00 O ATOM 698 CB ASP A 51 19.625 4.689 13.962 1.00 0.00 C ATOM 699 CG ASP A 51 20.448 5.807 13.317 1.00 0.00 C ATOM 700 OD1 ASP A 51 19.939 6.442 12.409 1.00 0.00 O ATOM 701 OD2 ASP A 51 21.572 6.009 13.745 1.00 0.00 O ATOM 0 H ASP A 51 16.799 3.282 13.729 1.00 0.00 H new ATOM 0 HA ASP A 51 18.551 4.855 12.100 1.00 0.00 H new ATOM 0 HB2 ASP A 51 19.143 5.054 14.869 1.00 0.00 H new ATOM 0 HB3 ASP A 51 20.276 3.866 14.256 1.00 0.00 H new ATOM 706 N TRP A 52 18.058 2.150 11.764 1.00 0.00 N ATOM 707 CA TRP A 52 18.345 0.762 11.299 1.00 0.00 C ATOM 708 C TRP A 52 18.101 0.664 9.784 1.00 0.00 C ATOM 709 O TRP A 52 18.882 1.160 8.996 1.00 0.00 O ATOM 710 CB TRP A 52 17.455 -0.232 12.058 1.00 0.00 C ATOM 711 CG TRP A 52 16.167 0.429 12.451 1.00 0.00 C ATOM 712 CD1 TRP A 52 15.294 1.014 11.597 1.00 0.00 C ATOM 713 CD2 TRP A 52 15.597 0.582 13.784 1.00 0.00 C ATOM 714 NE1 TRP A 52 14.225 1.511 12.321 1.00 0.00 N ATOM 715 CE2 TRP A 52 14.366 1.270 13.672 1.00 0.00 C ATOM 716 CE3 TRP A 52 16.023 0.193 15.067 1.00 0.00 C ATOM 717 CZ2 TRP A 52 13.587 1.563 14.792 1.00 0.00 C ATOM 718 CZ3 TRP A 52 15.242 0.487 16.197 1.00 0.00 C ATOM 719 CH2 TRP A 52 14.026 1.170 16.059 1.00 0.00 C ATOM 0 H TRP A 52 17.169 2.539 11.449 1.00 0.00 H new ATOM 0 HA TRP A 52 19.388 0.516 11.500 1.00 0.00 H new ATOM 0 HB2 TRP A 52 17.251 -1.101 11.433 1.00 0.00 H new ATOM 0 HB3 TRP A 52 17.974 -0.593 12.946 1.00 0.00 H new ATOM 0 HD1 TRP A 52 15.413 1.082 10.526 1.00 0.00 H new ATOM 0 HE1 TRP A 52 13.429 1.996 11.906 1.00 0.00 H new ATOM 0 HE3 TRP A 52 16.957 -0.336 15.184 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 12.651 2.090 14.680 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 15.580 0.185 17.177 1.00 0.00 H new ATOM 0 HH2 TRP A 52 13.429 1.392 16.931 1.00 0.00 H new ATOM 730 N ASN A 53 17.036 0.034 9.364 1.00 0.00 N ATOM 731 CA ASN A 53 16.771 -0.080 7.900 1.00 0.00 C ATOM 732 C ASN A 53 15.449 0.617 7.565 1.00 0.00 C ATOM 733 O ASN A 53 14.517 0.601 8.343 1.00 0.00 O ATOM 734 CB ASN A 53 16.681 -1.558 7.512 1.00 0.00 C ATOM 735 CG ASN A 53 18.021 -2.015 6.931 1.00 0.00 C ATOM 736 OD1 ASN A 53 19.031 -1.368 7.120 1.00 0.00 O ATOM 737 ND2 ASN A 53 18.071 -3.112 6.225 1.00 0.00 N ATOM 0 H ASN A 53 16.341 -0.405 9.968 1.00 0.00 H new ATOM 0 HA ASN A 53 17.582 0.393 7.346 1.00 0.00 H new ATOM 0 HB2 ASN A 53 16.427 -2.159 8.385 1.00 0.00 H new ATOM 0 HB3 ASN A 53 15.886 -1.705 6.781 1.00 0.00 H new ATOM 0 HD21 ASN A 53 18.959 -3.426 5.832 1.00 0.00 H new ATOM 0 HD22 ASN A 53 17.223 -3.655 6.066 1.00 0.00 H new ATOM 744 N ASP A 54 15.361 1.229 6.414 1.00 0.00 N ATOM 745 CA ASP A 54 14.096 1.929 6.037 1.00 0.00 C ATOM 746 C ASP A 54 13.041 0.897 5.633 1.00 0.00 C ATOM 747 O ASP A 54 13.283 -0.293 5.655 1.00 0.00 O ATOM 748 CB ASP A 54 14.349 2.883 4.861 1.00 0.00 C ATOM 749 CG ASP A 54 15.814 3.327 4.854 1.00 0.00 C ATOM 750 OD1 ASP A 54 16.631 2.596 4.318 1.00 0.00 O ATOM 751 OD2 ASP A 54 16.093 4.389 5.385 1.00 0.00 O ATOM 0 H ASP A 54 16.107 1.275 5.720 1.00 0.00 H new ATOM 0 HA ASP A 54 13.742 2.503 6.893 1.00 0.00 H new ATOM 0 HB2 ASP A 54 14.106 2.387 3.921 1.00 0.00 H new ATOM 0 HB3 ASP A 54 13.697 3.753 4.941 1.00 0.00 H new ATOM 756 N ASP A 55 11.872 1.345 5.263 1.00 0.00 N ATOM 757 CA ASP A 55 10.803 0.389 4.858 1.00 0.00 C ATOM 758 C ASP A 55 10.875 0.163 3.347 1.00 0.00 C ATOM 759 O ASP A 55 10.958 1.096 2.578 1.00 0.00 O ATOM 760 CB ASP A 55 9.435 0.965 5.228 1.00 0.00 C ATOM 761 CG ASP A 55 9.491 1.539 6.644 1.00 0.00 C ATOM 762 OD1 ASP A 55 9.219 0.797 7.574 1.00 0.00 O ATOM 763 OD2 ASP A 55 9.806 2.710 6.776 1.00 0.00 O ATOM 0 H ASP A 55 11.612 2.330 5.224 1.00 0.00 H new ATOM 0 HA ASP A 55 10.945 -0.560 5.375 1.00 0.00 H new ATOM 0 HB2 ASP A 55 9.152 1.743 4.519 1.00 0.00 H new ATOM 0 HB3 ASP A 55 8.673 0.188 5.169 1.00 0.00 H new ATOM 768 N ARG A 56 10.853 -1.069 2.920 1.00 0.00 N ATOM 769 CA ARG A 56 10.935 -1.362 1.461 1.00 0.00 C ATOM 770 C ARG A 56 9.578 -1.839 0.949 1.00 0.00 C ATOM 771 O ARG A 56 8.932 -2.676 1.546 1.00 0.00 O ATOM 772 CB ARG A 56 11.975 -2.458 1.237 1.00 0.00 C ATOM 773 CG ARG A 56 12.699 -2.222 -0.087 1.00 0.00 C ATOM 774 CD ARG A 56 13.609 -0.998 0.031 1.00 0.00 C ATOM 775 NE ARG A 56 14.357 -1.055 1.318 1.00 0.00 N ATOM 776 CZ ARG A 56 15.195 -2.030 1.544 1.00 0.00 C ATOM 777 NH1 ARG A 56 15.599 -2.784 0.558 1.00 0.00 N ATOM 778 NH2 ARG A 56 15.629 -2.252 2.754 1.00 0.00 N ATOM 0 H ARG A 56 10.781 -1.890 3.522 1.00 0.00 H new ATOM 0 HA ARG A 56 11.220 -0.458 0.922 1.00 0.00 H new ATOM 0 HB2 ARG A 56 12.692 -2.465 2.058 1.00 0.00 H new ATOM 0 HB3 ARG A 56 11.491 -3.435 1.228 1.00 0.00 H new ATOM 0 HG2 ARG A 56 13.288 -3.100 -0.352 1.00 0.00 H new ATOM 0 HG3 ARG A 56 11.974 -2.072 -0.887 1.00 0.00 H new ATOM 0 HD2 ARG A 56 14.307 -0.969 -0.806 1.00 0.00 H new ATOM 0 HD3 ARG A 56 13.016 -0.085 -0.017 1.00 0.00 H new ATOM 0 HE ARG A 56 14.214 -0.332 2.023 1.00 0.00 H new ATOM 0 HH11 ARG A 56 15.260 -2.611 -0.388 1.00 0.00 H new ATOM 0 HH12 ARG A 56 16.254 -3.546 0.734 1.00 0.00 H new ATOM 0 HH21 ARG A 56 15.314 -1.663 3.525 1.00 0.00 H new ATOM 0 HH22 ARG A 56 16.284 -3.014 2.929 1.00 0.00 H new ATOM 792 N CYS A 57 9.153 -1.317 -0.166 1.00 0.00 N ATOM 793 CA CYS A 57 7.851 -1.734 -0.742 1.00 0.00 C ATOM 794 C CYS A 57 7.941 -3.201 -1.124 1.00 0.00 C ATOM 795 O CYS A 57 8.989 -3.669 -1.532 1.00 0.00 O ATOM 796 CB CYS A 57 7.564 -0.909 -1.994 1.00 0.00 C ATOM 797 SG CYS A 57 5.991 -0.040 -1.807 1.00 0.00 S ATOM 0 H CYS A 57 9.658 -0.614 -0.706 1.00 0.00 H new ATOM 0 HA CYS A 57 7.054 -1.580 -0.015 1.00 0.00 H new ATOM 0 HB2 CYS A 57 8.368 -0.192 -2.161 1.00 0.00 H new ATOM 0 HB3 CYS A 57 7.529 -1.559 -2.869 1.00 0.00 H new ATOM 802 N THR A 58 6.852 -3.918 -0.993 1.00 0.00 N ATOM 803 CA THR A 58 6.846 -5.367 -1.342 1.00 0.00 C ATOM 804 C THR A 58 6.621 -5.530 -2.847 1.00 0.00 C ATOM 805 O THR A 58 6.981 -6.533 -3.432 1.00 0.00 O ATOM 806 CB THR A 58 5.715 -6.064 -0.581 1.00 0.00 C ATOM 807 OG1 THR A 58 4.960 -5.093 0.131 1.00 0.00 O ATOM 808 CG2 THR A 58 6.305 -7.075 0.402 1.00 0.00 C ATOM 0 H THR A 58 5.960 -3.555 -0.656 1.00 0.00 H new ATOM 0 HA THR A 58 7.803 -5.812 -1.068 1.00 0.00 H new ATOM 0 HB THR A 58 5.068 -6.584 -1.287 1.00 0.00 H new ATOM 0 HG1 THR A 58 4.163 -5.515 0.515 1.00 0.00 H new ATOM 0 HG21 THR A 58 5.498 -7.570 0.943 1.00 0.00 H new ATOM 0 HG22 THR A 58 6.885 -7.818 -0.145 1.00 0.00 H new ATOM 0 HG23 THR A 58 6.953 -6.558 1.110 1.00 0.00 H new ATOM 816 N GLY A 59 6.029 -4.553 -3.479 1.00 0.00 N ATOM 817 CA GLY A 59 5.785 -4.655 -4.946 1.00 0.00 C ATOM 818 C GLY A 59 4.351 -5.125 -5.201 1.00 0.00 C ATOM 819 O GLY A 59 3.623 -4.531 -5.971 1.00 0.00 O ATOM 0 H GLY A 59 5.704 -3.690 -3.043 1.00 0.00 H new ATOM 0 HA2 GLY A 59 5.950 -3.687 -5.420 1.00 0.00 H new ATOM 0 HA3 GLY A 59 6.492 -5.354 -5.394 1.00 0.00 H new ATOM 823 N GLN A 60 3.939 -6.189 -4.567 1.00 0.00 N ATOM 824 CA GLN A 60 2.553 -6.692 -4.784 1.00 0.00 C ATOM 825 C GLN A 60 1.642 -6.203 -3.657 1.00 0.00 C ATOM 826 O GLN A 60 0.479 -6.548 -3.595 1.00 0.00 O ATOM 827 CB GLN A 60 2.560 -8.223 -4.799 1.00 0.00 C ATOM 828 CG GLN A 60 3.413 -8.718 -5.968 1.00 0.00 C ATOM 829 CD GLN A 60 2.503 -9.100 -7.137 1.00 0.00 C ATOM 830 OE1 GLN A 60 2.725 -8.684 -8.257 1.00 0.00 O ATOM 831 NE2 GLN A 60 1.480 -9.883 -6.924 1.00 0.00 N ATOM 0 H GLN A 60 4.501 -6.730 -3.910 1.00 0.00 H new ATOM 0 HA GLN A 60 2.182 -6.317 -5.738 1.00 0.00 H new ATOM 0 HB2 GLN A 60 2.957 -8.605 -3.858 1.00 0.00 H new ATOM 0 HB3 GLN A 60 1.542 -8.601 -4.892 1.00 0.00 H new ATOM 0 HG2 GLN A 60 4.112 -7.941 -6.276 1.00 0.00 H new ATOM 0 HG3 GLN A 60 4.008 -9.578 -5.660 1.00 0.00 H new ATOM 0 HE21 GLN A 60 1.293 -10.233 -5.984 1.00 0.00 H new ATOM 0 HE22 GLN A 60 0.868 -10.145 -7.697 1.00 0.00 H new ATOM 840 N SER A 61 2.155 -5.403 -2.763 1.00 0.00 N ATOM 841 CA SER A 61 1.305 -4.900 -1.647 1.00 0.00 C ATOM 842 C SER A 61 1.044 -3.403 -1.835 1.00 0.00 C ATOM 843 O SER A 61 1.961 -2.607 -1.883 1.00 0.00 O ATOM 844 CB SER A 61 2.024 -5.127 -0.317 1.00 0.00 C ATOM 845 OG SER A 61 2.942 -6.203 -0.458 1.00 0.00 O ATOM 0 H SER A 61 3.121 -5.077 -2.757 1.00 0.00 H new ATOM 0 HA SER A 61 0.356 -5.436 -1.645 1.00 0.00 H new ATOM 0 HB2 SER A 61 2.551 -4.221 -0.016 1.00 0.00 H new ATOM 0 HB3 SER A 61 1.301 -5.351 0.467 1.00 0.00 H new ATOM 0 HG SER A 61 2.924 -6.757 0.351 1.00 0.00 H new ATOM 851 N ALA A 62 -0.199 -3.010 -1.936 1.00 0.00 N ATOM 852 CA ALA A 62 -0.503 -1.561 -2.116 1.00 0.00 C ATOM 853 C ALA A 62 0.140 -0.774 -0.979 1.00 0.00 C ATOM 854 O ALA A 62 0.824 0.203 -1.197 1.00 0.00 O ATOM 855 CB ALA A 62 -2.016 -1.339 -2.090 1.00 0.00 C ATOM 0 H ALA A 62 -1.011 -3.626 -1.902 1.00 0.00 H new ATOM 0 HA ALA A 62 -0.108 -1.224 -3.075 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -2.230 -0.278 -2.222 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -2.481 -1.906 -2.896 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -2.416 -1.674 -1.133 1.00 0.00 H new ATOM 861 N ASP A 63 -0.068 -1.195 0.236 1.00 0.00 N ATOM 862 CA ASP A 63 0.542 -0.470 1.382 1.00 0.00 C ATOM 863 C ASP A 63 2.004 -0.893 1.507 1.00 0.00 C ATOM 864 O ASP A 63 2.560 -1.505 0.617 1.00 0.00 O ATOM 865 CB ASP A 63 -0.208 -0.817 2.670 1.00 0.00 C ATOM 866 CG ASP A 63 -1.700 -0.529 2.484 1.00 0.00 C ATOM 867 OD1 ASP A 63 -2.361 -1.330 1.846 1.00 0.00 O ATOM 868 OD2 ASP A 63 -2.153 0.487 2.985 1.00 0.00 O ATOM 0 H ASP A 63 -0.632 -2.008 0.484 1.00 0.00 H new ATOM 0 HA ASP A 63 0.480 0.606 1.216 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -0.058 -1.867 2.920 1.00 0.00 H new ATOM 0 HB3 ASP A 63 0.185 -0.232 3.502 1.00 0.00 H new ATOM 873 N CYS A 64 2.633 -0.575 2.601 1.00 0.00 N ATOM 874 CA CYS A 64 4.060 -0.963 2.770 1.00 0.00 C ATOM 875 C CYS A 64 4.222 -1.753 4.066 1.00 0.00 C ATOM 876 O CYS A 64 3.650 -1.413 5.081 1.00 0.00 O ATOM 877 CB CYS A 64 4.933 0.305 2.781 1.00 0.00 C ATOM 878 SG CYS A 64 6.464 0.028 3.718 1.00 0.00 S ATOM 0 H CYS A 64 2.223 -0.065 3.384 1.00 0.00 H new ATOM 0 HA CYS A 64 4.379 -1.595 1.941 1.00 0.00 H new ATOM 0 HB2 CYS A 64 5.175 0.594 1.758 1.00 0.00 H new ATOM 0 HB3 CYS A 64 4.376 1.131 3.222 1.00 0.00 H new ATOM 883 N PRO A 65 5.016 -2.788 3.979 1.00 0.00 N ATOM 884 CA PRO A 65 5.301 -3.660 5.119 1.00 0.00 C ATOM 885 C PRO A 65 6.329 -2.989 6.035 1.00 0.00 C ATOM 886 O PRO A 65 7.191 -2.264 5.582 1.00 0.00 O ATOM 887 CB PRO A 65 5.879 -4.915 4.466 1.00 0.00 C ATOM 888 CG PRO A 65 6.410 -4.498 3.081 1.00 0.00 C ATOM 889 CD PRO A 65 5.706 -3.184 2.728 1.00 0.00 C ATOM 0 HA PRO A 65 4.431 -3.877 5.738 1.00 0.00 H new ATOM 0 HB2 PRO A 65 6.680 -5.333 5.076 1.00 0.00 H new ATOM 0 HB3 PRO A 65 5.115 -5.687 4.370 1.00 0.00 H new ATOM 0 HG2 PRO A 65 7.492 -4.366 3.103 1.00 0.00 H new ATOM 0 HG3 PRO A 65 6.198 -5.265 2.336 1.00 0.00 H new ATOM 0 HD2 PRO A 65 6.420 -2.424 2.410 1.00 0.00 H new ATOM 0 HD3 PRO A 65 4.999 -3.319 1.910 1.00 0.00 H new ATOM 897 N ARG A 66 6.242 -3.213 7.316 1.00 0.00 N ATOM 898 CA ARG A 66 7.218 -2.571 8.244 1.00 0.00 C ATOM 899 C ARG A 66 7.542 -3.521 9.396 1.00 0.00 C ATOM 900 O ARG A 66 6.685 -4.220 9.901 1.00 0.00 O ATOM 901 CB ARG A 66 6.635 -1.268 8.814 1.00 0.00 C ATOM 902 CG ARG A 66 5.185 -1.080 8.352 1.00 0.00 C ATOM 903 CD ARG A 66 4.272 -2.027 9.133 1.00 0.00 C ATOM 904 NE ARG A 66 3.701 -1.309 10.307 1.00 0.00 N ATOM 905 CZ ARG A 66 4.488 -0.879 11.256 1.00 0.00 C ATOM 906 NH1 ARG A 66 4.839 -1.679 12.224 1.00 0.00 N ATOM 907 NH2 ARG A 66 4.925 0.351 11.234 1.00 0.00 N ATOM 0 H ARG A 66 5.543 -3.808 7.760 1.00 0.00 H new ATOM 0 HA ARG A 66 8.127 -2.345 7.687 1.00 0.00 H new ATOM 0 HB2 ARG A 66 6.676 -1.290 9.903 1.00 0.00 H new ATOM 0 HB3 ARG A 66 7.239 -0.420 8.490 1.00 0.00 H new ATOM 0 HG2 ARG A 66 4.874 -0.047 8.508 1.00 0.00 H new ATOM 0 HG3 ARG A 66 5.104 -1.279 7.283 1.00 0.00 H new ATOM 0 HD2 ARG A 66 3.470 -2.390 8.490 1.00 0.00 H new ATOM 0 HD3 ARG A 66 4.834 -2.900 9.465 1.00 0.00 H new ATOM 0 HE ARG A 66 2.695 -1.153 10.369 1.00 0.00 H new ATOM 0 HH11 ARG A 66 4.499 -2.640 12.240 1.00 0.00 H new ATOM 0 HH12 ARG A 66 5.454 -1.343 12.965 1.00 0.00 H new ATOM 0 HH21 ARG A 66 4.652 0.976 10.476 1.00 0.00 H new ATOM 0 HH22 ARG A 66 5.540 0.687 11.975 1.00 0.00 H new ATOM 921 N ASN A 67 8.774 -3.542 9.825 1.00 0.00 N ATOM 922 CA ASN A 67 9.162 -4.434 10.952 1.00 0.00 C ATOM 923 C ASN A 67 8.454 -3.963 12.225 1.00 0.00 C ATOM 924 O ASN A 67 7.988 -2.843 12.291 1.00 0.00 O ATOM 925 CB ASN A 67 10.678 -4.361 11.149 1.00 0.00 C ATOM 926 CG ASN A 67 11.078 -2.922 11.481 1.00 0.00 C ATOM 927 OD1 ASN A 67 10.265 -2.144 11.937 1.00 0.00 O ATOM 928 ND2 ASN A 67 12.306 -2.534 11.270 1.00 0.00 N ATOM 0 H ASN A 67 9.531 -2.977 9.441 1.00 0.00 H new ATOM 0 HA ASN A 67 8.874 -5.462 10.733 1.00 0.00 H new ATOM 0 HB2 ASN A 67 10.984 -5.030 11.953 1.00 0.00 H new ATOM 0 HB3 ASN A 67 11.190 -4.693 10.246 1.00 0.00 H new ATOM 0 HD21 ASN A 67 12.583 -1.577 11.488 1.00 0.00 H new ATOM 0 HD22 ASN A 67 12.989 -3.188 10.887 1.00 0.00 H new ATOM 935 N PRO A 68 8.392 -4.831 13.202 1.00 0.00 N ATOM 936 CA PRO A 68 7.744 -4.528 14.492 1.00 0.00 C ATOM 937 C PRO A 68 8.666 -3.689 15.388 1.00 0.00 C ATOM 938 O PRO A 68 8.722 -3.884 16.585 1.00 0.00 O ATOM 939 CB PRO A 68 7.510 -5.913 15.106 1.00 0.00 C ATOM 940 CG PRO A 68 8.524 -6.867 14.429 1.00 0.00 C ATOM 941 CD PRO A 68 8.956 -6.193 13.114 1.00 0.00 C ATOM 0 HA PRO A 68 6.828 -3.948 14.379 1.00 0.00 H new ATOM 0 HB2 PRO A 68 7.659 -5.890 16.185 1.00 0.00 H new ATOM 0 HB3 PRO A 68 6.487 -6.247 14.933 1.00 0.00 H new ATOM 0 HG2 PRO A 68 9.384 -7.040 15.076 1.00 0.00 H new ATOM 0 HG3 PRO A 68 8.071 -7.839 14.235 1.00 0.00 H new ATOM 0 HD2 PRO A 68 10.041 -6.169 13.017 1.00 0.00 H new ATOM 0 HD3 PRO A 68 8.570 -6.728 12.247 1.00 0.00 H new ATOM 949 N TRP A 69 9.388 -2.759 14.822 1.00 0.00 N ATOM 950 CA TRP A 69 10.299 -1.918 15.646 1.00 0.00 C ATOM 951 C TRP A 69 10.155 -0.453 15.233 1.00 0.00 C ATOM 952 O TRP A 69 11.074 0.332 15.360 1.00 0.00 O ATOM 953 CB TRP A 69 11.742 -2.373 15.426 1.00 0.00 C ATOM 954 CG TRP A 69 11.829 -3.850 15.636 1.00 0.00 C ATOM 955 CD1 TRP A 69 12.305 -4.738 14.734 1.00 0.00 C ATOM 956 CD2 TRP A 69 11.436 -4.623 16.804 1.00 0.00 C ATOM 957 NE1 TRP A 69 12.232 -6.008 15.279 1.00 0.00 N ATOM 958 CE2 TRP A 69 11.703 -5.988 16.553 1.00 0.00 C ATOM 959 CE3 TRP A 69 10.879 -4.272 18.046 1.00 0.00 C ATOM 960 CZ2 TRP A 69 11.427 -6.973 17.503 1.00 0.00 C ATOM 961 CZ3 TRP A 69 10.600 -5.259 19.005 1.00 0.00 C ATOM 962 CH2 TRP A 69 10.874 -6.608 18.734 1.00 0.00 C ATOM 0 H TRP A 69 9.385 -2.547 13.824 1.00 0.00 H new ATOM 0 HA TRP A 69 10.040 -2.022 16.700 1.00 0.00 H new ATOM 0 HB2 TRP A 69 12.067 -2.117 14.417 1.00 0.00 H new ATOM 0 HB3 TRP A 69 12.408 -1.856 16.116 1.00 0.00 H new ATOM 0 HD1 TRP A 69 12.680 -4.496 13.751 1.00 0.00 H new ATOM 0 HE1 TRP A 69 12.533 -6.855 14.797 1.00 0.00 H new ATOM 0 HE3 TRP A 69 10.664 -3.236 18.264 1.00 0.00 H new ATOM 0 HZ2 TRP A 69 11.639 -8.010 17.288 1.00 0.00 H new ATOM 0 HZ3 TRP A 69 10.172 -4.978 19.956 1.00 0.00 H new ATOM 0 HH2 TRP A 69 10.658 -7.363 19.475 1.00 0.00 H new ATOM 973 N ASN A 70 9.009 -0.076 14.736 1.00 0.00 N ATOM 974 CA ASN A 70 8.810 1.337 14.311 1.00 0.00 C ATOM 975 C ASN A 70 7.629 1.944 15.075 1.00 0.00 C ATOM 976 O ASN A 70 7.767 2.384 16.198 1.00 0.00 O ATOM 977 CB ASN A 70 8.534 1.380 12.806 1.00 0.00 C ATOM 978 CG ASN A 70 9.858 1.464 12.045 1.00 0.00 C ATOM 979 OD1 ASN A 70 10.453 2.519 11.951 1.00 0.00 O ATOM 980 ND2 ASN A 70 10.349 0.387 11.495 1.00 0.00 N ATOM 0 H ASN A 70 8.202 -0.686 14.606 1.00 0.00 H new ATOM 0 HA ASN A 70 9.709 1.914 14.530 1.00 0.00 H new ATOM 0 HB2 ASN A 70 7.983 0.490 12.501 1.00 0.00 H new ATOM 0 HB3 ASN A 70 7.909 2.240 12.565 1.00 0.00 H new ATOM 0 HD21 ASN A 70 11.232 0.431 10.986 1.00 0.00 H new ATOM 0 HD22 ASN A 70 9.850 -0.499 11.574 1.00 0.00 H new ATOM 987 N GLY A 71 6.470 1.972 14.475 1.00 0.00 N ATOM 988 CA GLY A 71 5.285 2.552 15.167 1.00 0.00 C ATOM 989 C GLY A 71 4.077 2.513 14.227 1.00 0.00 C ATOM 990 O GLY A 71 2.966 2.452 14.725 1.00 0.00 O ATOM 991 OXT GLY A 71 4.286 2.546 13.026 1.00 0.00 O ATOM 0 H GLY A 71 6.293 1.618 13.535 1.00 0.00 H new ATOM 0 HA2 GLY A 71 5.070 1.991 16.076 1.00 0.00 H new ATOM 0 HA3 GLY A 71 5.492 3.579 15.468 1.00 0.00 H new TER 995 GLY A 71