USER MOD reduce.3.24.130724 H: found=0, std=0, add=459, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 458 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 63 ASN : amide:sc= -3.33! C(o=-4.6!,f=-2.9!) USER MOD Set 1.2: A 64 THR OG1 : rot -160:sc= -1.3! USER MOD Set 2.1: A 6 ASN : amide:sc= -7.57! C(o=-9.7!,f=-9.6!) USER MOD Set 2.2: A 10 THR OG1 : rot 99:sc= -2.16! USER MOD Single : A 1 ARG N :NH3+ 170:sc= -0.064 (180deg=-0.24) USER MOD Single : A 4 TYR OH : rot -150:sc= -5.63! USER MOD Single : A 8 HIS : no HE2:sc= -10.7! C(o=-11!,f=-8.6!) USER MOD Single : A 11 GLN : amide:sc= -0.0494 X(o=-0.049,f=-0.3) USER MOD Single : A 12 THR OG1 : rot 180:sc= -0.213 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc= -2.34! C(o=-2.3!,f=-2.6!) USER MOD Single : A 21 TYR OH : rot 180:sc= -0.15 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 27 ASN : amide:sc= -0.283 X(o=-0.28,f=-0.084) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ -145:sc= -0.471 (180deg=-1.78!) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 49 ASN : amide:sc= -1.68! C(o=-1.7!,f=-1.1!) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0.183 USER MOD Single : A 52 THR OG1 : rot 180:sc= -0.0834 USER MOD Single : A 55 LYS NZ :NH3+ 167:sc= 0 (180deg=-0.293) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 2.489 15.217 -1.682 1.00 0.00 N ATOM 2 CA ARG A 1 3.358 14.014 -1.573 1.00 0.00 C ATOM 3 C ARG A 1 2.957 13.192 -0.345 1.00 0.00 C ATOM 4 O ARG A 1 3.277 13.533 0.777 1.00 0.00 O ATOM 5 CB ARG A 1 4.817 14.448 -1.439 1.00 0.00 C ATOM 6 CG ARG A 1 5.650 13.770 -2.527 1.00 0.00 C ATOM 7 CD ARG A 1 6.680 14.759 -3.074 1.00 0.00 C ATOM 8 NE ARG A 1 7.117 14.322 -4.429 1.00 0.00 N ATOM 9 CZ ARG A 1 8.340 13.909 -4.617 1.00 0.00 C ATOM 10 NH1 ARG A 1 8.917 13.149 -3.726 1.00 0.00 N ATOM 11 NH2 ARG A 1 8.987 14.255 -5.696 1.00 0.00 N ATOM 0 H1 ARG A 1 2.869 15.855 -2.410 1.00 0.00 H new ATOM 0 H2 ARG A 1 1.526 14.927 -1.945 1.00 0.00 H new ATOM 0 H3 ARG A 1 2.464 15.711 -0.767 1.00 0.00 H new ATOM 0 HA ARG A 1 3.239 13.404 -2.469 1.00 0.00 H new ATOM 0 HB2 ARG A 1 4.895 15.532 -1.528 1.00 0.00 H new ATOM 0 HB3 ARG A 1 5.199 14.181 -0.454 1.00 0.00 H new ATOM 0 HG2 ARG A 1 6.153 12.893 -2.120 1.00 0.00 H new ATOM 0 HG3 ARG A 1 5.002 13.422 -3.331 1.00 0.00 H new ATOM 0 HD2 ARG A 1 6.249 15.759 -3.124 1.00 0.00 H new ATOM 0 HD3 ARG A 1 7.538 14.815 -2.404 1.00 0.00 H new ATOM 0 HE ARG A 1 6.461 14.346 -5.209 1.00 0.00 H new ATOM 0 HH11 ARG A 1 8.411 12.878 -2.883 1.00 0.00 H new ATOM 0 HH12 ARG A 1 9.873 12.826 -3.873 1.00 0.00 H new ATOM 0 HH21 ARG A 1 8.536 14.848 -6.393 1.00 0.00 H new ATOM 0 HH22 ARG A 1 9.943 13.932 -5.843 1.00 0.00 H new ATOM 27 N GLU A 2 2.269 12.103 -0.553 1.00 0.00 N ATOM 28 CA GLU A 2 1.855 11.244 0.589 1.00 0.00 C ATOM 29 C GLU A 2 2.411 9.839 0.361 1.00 0.00 C ATOM 30 O GLU A 2 2.724 9.472 -0.755 1.00 0.00 O ATOM 31 CB GLU A 2 0.326 11.187 0.662 1.00 0.00 C ATOM 32 CG GLU A 2 -0.101 10.728 2.056 1.00 0.00 C ATOM 33 CD GLU A 2 0.168 11.844 3.067 1.00 0.00 C ATOM 34 OE1 GLU A 2 1.306 11.971 3.490 1.00 0.00 O ATOM 35 OE2 GLU A 2 -0.767 12.552 3.401 1.00 0.00 O ATOM 0 H GLU A 2 1.975 11.771 -1.471 1.00 0.00 H new ATOM 0 HA GLU A 2 2.238 11.652 1.524 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -0.096 12.168 0.446 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -0.059 10.501 -0.092 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -1.160 10.470 2.057 1.00 0.00 H new ATOM 0 HG3 GLU A 2 0.446 9.828 2.338 1.00 0.00 H new ATOM 42 N CYS A 3 2.540 9.056 1.405 1.00 0.00 N ATOM 43 CA CYS A 3 3.088 7.672 1.263 1.00 0.00 C ATOM 44 C CYS A 3 4.615 7.744 1.305 1.00 0.00 C ATOM 45 O CYS A 3 5.267 7.046 2.054 1.00 0.00 O ATOM 46 CB CYS A 3 2.641 7.047 -0.066 1.00 0.00 C ATOM 47 SG CYS A 3 0.895 7.429 -0.383 1.00 0.00 S ATOM 0 H CYS A 3 2.287 9.320 2.357 1.00 0.00 H new ATOM 0 HA CYS A 3 2.714 7.052 2.078 1.00 0.00 H new ATOM 0 HB2 CYS A 3 3.258 7.427 -0.881 1.00 0.00 H new ATOM 0 HB3 CYS A 3 2.785 5.967 -0.035 1.00 0.00 H new ATOM 52 N TYR A 4 5.173 8.602 0.508 1.00 0.00 N ATOM 53 CA TYR A 4 6.655 8.775 0.462 1.00 0.00 C ATOM 54 C TYR A 4 7.365 7.439 0.506 1.00 0.00 C ATOM 55 O TYR A 4 7.491 6.782 -0.505 1.00 0.00 O ATOM 56 CB TYR A 4 7.131 9.659 1.621 1.00 0.00 C ATOM 57 CG TYR A 4 6.140 9.582 2.775 1.00 0.00 C ATOM 58 CD1 TYR A 4 4.883 10.192 2.661 1.00 0.00 C ATOM 59 CD2 TYR A 4 6.487 8.905 3.953 1.00 0.00 C ATOM 60 CE1 TYR A 4 3.973 10.123 3.725 1.00 0.00 C ATOM 61 CE2 TYR A 4 5.575 8.837 5.016 1.00 0.00 C ATOM 62 CZ TYR A 4 4.319 9.446 4.901 1.00 0.00 C ATOM 63 OH TYR A 4 3.422 9.380 5.948 1.00 0.00 O ATOM 0 H TYR A 4 4.657 9.207 -0.130 1.00 0.00 H new ATOM 0 HA TYR A 4 6.902 9.263 -0.481 1.00 0.00 H new ATOM 0 HB2 TYR A 4 8.117 9.335 1.955 1.00 0.00 H new ATOM 0 HB3 TYR A 4 7.231 10.691 1.285 1.00 0.00 H new ATOM 0 HD1 TYR A 4 4.616 10.715 1.754 1.00 0.00 H new ATOM 0 HD2 TYR A 4 7.456 8.436 4.041 1.00 0.00 H new ATOM 0 HE1 TYR A 4 3.004 10.592 3.638 1.00 0.00 H new ATOM 0 HE2 TYR A 4 5.841 8.315 5.923 1.00 0.00 H new ATOM 0 HH TYR A 4 3.912 9.331 6.796 1.00 0.00 H new ATOM 73 N LEU A 5 7.870 7.020 1.635 1.00 0.00 N ATOM 74 CA LEU A 5 8.583 5.737 1.628 1.00 0.00 C ATOM 75 C LEU A 5 8.336 4.890 2.876 1.00 0.00 C ATOM 76 O LEU A 5 9.269 4.387 3.469 1.00 0.00 O ATOM 77 CB LEU A 5 10.072 5.946 1.474 1.00 0.00 C ATOM 78 CG LEU A 5 10.357 7.066 0.475 1.00 0.00 C ATOM 79 CD1 LEU A 5 11.715 7.698 0.790 1.00 0.00 C ATOM 80 CD2 LEU A 5 10.378 6.492 -0.944 1.00 0.00 C ATOM 0 H LEU A 5 7.817 7.503 2.532 1.00 0.00 H new ATOM 0 HA LEU A 5 8.182 5.193 0.773 1.00 0.00 H new ATOM 0 HB2 LEU A 5 10.512 6.193 2.440 1.00 0.00 H new ATOM 0 HB3 LEU A 5 10.541 5.022 1.136 1.00 0.00 H new ATOM 0 HG LEU A 5 9.578 7.824 0.548 1.00 0.00 H new ATOM 0 HD11 LEU A 5 11.919 8.497 0.077 1.00 0.00 H new ATOM 0 HD12 LEU A 5 11.700 8.108 1.800 1.00 0.00 H new ATOM 0 HD13 LEU A 5 12.495 6.940 0.717 1.00 0.00 H new ATOM 0 HD21 LEU A 5 10.581 7.291 -1.657 1.00 0.00 H new ATOM 0 HD22 LEU A 5 11.157 5.733 -1.018 1.00 0.00 H new ATOM 0 HD23 LEU A 5 9.411 6.043 -1.169 1.00 0.00 H new ATOM 92 N ASN A 6 7.106 4.666 3.259 1.00 0.00 N ATOM 93 CA ASN A 6 6.864 3.778 4.430 1.00 0.00 C ATOM 94 C ASN A 6 7.694 2.511 4.193 1.00 0.00 C ATOM 95 O ASN A 6 8.231 2.343 3.117 1.00 0.00 O ATOM 96 CB ASN A 6 5.370 3.418 4.509 1.00 0.00 C ATOM 97 CG ASN A 6 4.747 3.456 3.111 1.00 0.00 C ATOM 98 OD1 ASN A 6 3.995 4.355 2.793 1.00 0.00 O ATOM 99 ND2 ASN A 6 5.032 2.511 2.257 1.00 0.00 N ATOM 0 H ASN A 6 6.272 5.053 2.819 1.00 0.00 H new ATOM 0 HA ASN A 6 7.144 4.265 5.364 1.00 0.00 H new ATOM 0 HB2 ASN A 6 5.249 2.425 4.943 1.00 0.00 H new ATOM 0 HB3 ASN A 6 4.853 4.118 5.166 1.00 0.00 H new ATOM 0 HD21 ASN A 6 4.623 2.528 1.323 1.00 0.00 H new ATOM 0 HD22 ASN A 6 5.664 1.756 2.524 1.00 0.00 H new ATOM 106 N PRO A 7 7.791 1.655 5.172 1.00 0.00 N ATOM 107 CA PRO A 7 8.572 0.414 5.027 1.00 0.00 C ATOM 108 C PRO A 7 7.867 -0.558 4.072 1.00 0.00 C ATOM 109 O PRO A 7 7.211 -1.490 4.493 1.00 0.00 O ATOM 110 CB PRO A 7 8.655 -0.130 6.457 1.00 0.00 C ATOM 111 CG PRO A 7 7.488 0.518 7.236 1.00 0.00 C ATOM 112 CD PRO A 7 7.139 1.819 6.489 1.00 0.00 C ATOM 0 HA PRO A 7 9.561 0.569 4.595 1.00 0.00 H new ATOM 0 HB2 PRO A 7 8.572 -1.217 6.465 1.00 0.00 H new ATOM 0 HB3 PRO A 7 9.613 0.120 6.913 1.00 0.00 H new ATOM 0 HG2 PRO A 7 6.628 -0.151 7.275 1.00 0.00 H new ATOM 0 HG3 PRO A 7 7.777 0.727 8.266 1.00 0.00 H new ATOM 0 HD2 PRO A 7 6.061 1.946 6.389 1.00 0.00 H new ATOM 0 HD3 PRO A 7 7.516 2.696 7.015 1.00 0.00 H new ATOM 120 N HIS A 8 8.012 -0.342 2.782 1.00 0.00 N ATOM 121 CA HIS A 8 7.363 -1.243 1.784 1.00 0.00 C ATOM 122 C HIS A 8 7.233 -0.529 0.427 1.00 0.00 C ATOM 123 O HIS A 8 6.158 -0.132 0.037 1.00 0.00 O ATOM 124 CB HIS A 8 5.967 -1.634 2.276 1.00 0.00 C ATOM 125 CG HIS A 8 5.970 -3.076 2.698 1.00 0.00 C ATOM 126 ND1 HIS A 8 4.799 -3.790 2.903 1.00 0.00 N ATOM 127 CD2 HIS A 8 6.994 -3.954 2.957 1.00 0.00 C ATOM 128 CE1 HIS A 8 5.143 -5.038 3.268 1.00 0.00 C ATOM 129 NE2 HIS A 8 6.469 -5.192 3.317 1.00 0.00 N ATOM 0 H HIS A 8 8.555 0.423 2.382 1.00 0.00 H new ATOM 0 HA HIS A 8 7.979 -2.134 1.665 1.00 0.00 H new ATOM 0 HB2 HIS A 8 5.674 -1.000 3.113 1.00 0.00 H new ATOM 0 HB3 HIS A 8 5.234 -1.477 1.485 1.00 0.00 H new ATOM 0 HD1 HIS A 8 3.849 -3.433 2.796 1.00 0.00 H new ATOM 0 HD2 HIS A 8 8.046 -3.720 2.891 1.00 0.00 H new ATOM 0 HE1 HIS A 8 4.434 -5.820 3.494 1.00 0.00 H new ATOM 137 N ASP A 9 8.315 -0.386 -0.299 1.00 0.00 N ATOM 138 CA ASP A 9 8.250 0.279 -1.645 1.00 0.00 C ATOM 139 C ASP A 9 7.730 1.718 -1.525 1.00 0.00 C ATOM 140 O ASP A 9 8.498 2.658 -1.473 1.00 0.00 O ATOM 141 CB ASP A 9 7.317 -0.521 -2.554 1.00 0.00 C ATOM 142 CG ASP A 9 8.143 -1.451 -3.444 1.00 0.00 C ATOM 143 OD1 ASP A 9 8.747 -0.958 -4.383 1.00 0.00 O ATOM 144 OD2 ASP A 9 8.159 -2.640 -3.171 1.00 0.00 O ATOM 0 H ASP A 9 9.244 -0.701 -0.020 1.00 0.00 H new ATOM 0 HA ASP A 9 9.255 0.310 -2.066 1.00 0.00 H new ATOM 0 HB2 ASP A 9 6.617 -1.102 -1.953 1.00 0.00 H new ATOM 0 HB3 ASP A 9 6.723 0.155 -3.169 1.00 0.00 H new ATOM 149 N THR A 10 6.430 1.892 -1.494 1.00 0.00 N ATOM 150 CA THR A 10 5.828 3.257 -1.378 1.00 0.00 C ATOM 151 C THR A 10 5.739 3.926 -2.752 1.00 0.00 C ATOM 152 O THR A 10 6.185 3.396 -3.751 1.00 0.00 O ATOM 153 CB THR A 10 6.661 4.142 -0.439 1.00 0.00 C ATOM 154 OG1 THR A 10 7.463 3.330 0.408 1.00 0.00 O ATOM 155 CG2 THR A 10 5.738 4.977 0.432 1.00 0.00 C ATOM 0 H THR A 10 5.751 1.133 -1.545 1.00 0.00 H new ATOM 0 HA THR A 10 4.825 3.143 -0.967 1.00 0.00 H new ATOM 0 HB THR A 10 7.296 4.790 -1.044 1.00 0.00 H new ATOM 0 HG1 THR A 10 8.374 3.282 0.049 1.00 0.00 H new ATOM 0 HG21 THR A 10 6.333 5.603 1.097 1.00 0.00 H new ATOM 0 HG22 THR A 10 5.114 5.609 -0.200 1.00 0.00 H new ATOM 0 HG23 THR A 10 5.104 4.319 1.025 1.00 0.00 H new ATOM 163 N GLN A 11 5.161 5.097 -2.796 1.00 0.00 N ATOM 164 CA GLN A 11 5.021 5.838 -4.076 1.00 0.00 C ATOM 165 C GLN A 11 4.347 7.183 -3.785 1.00 0.00 C ATOM 166 O GLN A 11 3.138 7.280 -3.718 1.00 0.00 O ATOM 167 CB GLN A 11 4.167 5.025 -5.053 1.00 0.00 C ATOM 168 CG GLN A 11 3.683 5.928 -6.191 1.00 0.00 C ATOM 169 CD GLN A 11 3.946 5.246 -7.534 1.00 0.00 C ATOM 170 OE1 GLN A 11 5.036 4.773 -7.787 1.00 0.00 O ATOM 171 NE2 GLN A 11 2.984 5.175 -8.413 1.00 0.00 N ATOM 0 H GLN A 11 4.775 5.576 -1.983 1.00 0.00 H new ATOM 0 HA GLN A 11 6.001 6.003 -4.524 1.00 0.00 H new ATOM 0 HB2 GLN A 11 4.748 4.196 -5.456 1.00 0.00 H new ATOM 0 HB3 GLN A 11 3.313 4.592 -4.531 1.00 0.00 H new ATOM 0 HG2 GLN A 11 2.618 6.133 -6.078 1.00 0.00 H new ATOM 0 HG3 GLN A 11 4.199 6.888 -6.152 1.00 0.00 H new ATOM 0 HE21 GLN A 11 2.069 5.572 -8.201 1.00 0.00 H new ATOM 0 HE22 GLN A 11 3.147 4.722 -9.312 1.00 0.00 H new ATOM 180 N THR A 12 5.124 8.215 -3.588 1.00 0.00 N ATOM 181 CA THR A 12 4.547 9.548 -3.278 1.00 0.00 C ATOM 182 C THR A 12 3.309 9.822 -4.129 1.00 0.00 C ATOM 183 O THR A 12 3.028 9.141 -5.095 1.00 0.00 O ATOM 184 CB THR A 12 5.591 10.631 -3.544 1.00 0.00 C ATOM 185 OG1 THR A 12 5.678 10.873 -4.941 1.00 0.00 O ATOM 186 CG2 THR A 12 6.952 10.180 -3.013 1.00 0.00 C ATOM 0 H THR A 12 6.143 8.187 -3.630 1.00 0.00 H new ATOM 0 HA THR A 12 4.255 9.558 -2.228 1.00 0.00 H new ATOM 0 HB THR A 12 5.296 11.549 -3.035 1.00 0.00 H new ATOM 0 HG1 THR A 12 6.347 11.569 -5.111 1.00 0.00 H new ATOM 0 HG21 THR A 12 7.693 10.956 -3.205 1.00 0.00 H new ATOM 0 HG22 THR A 12 6.883 10.002 -1.940 1.00 0.00 H new ATOM 0 HG23 THR A 12 7.252 9.260 -3.515 1.00 0.00 H new ATOM 194 N CYS A 13 2.568 10.828 -3.760 1.00 0.00 N ATOM 195 CA CYS A 13 1.337 11.190 -4.507 1.00 0.00 C ATOM 196 C CYS A 13 1.145 12.708 -4.441 1.00 0.00 C ATOM 197 O CYS A 13 0.268 13.190 -3.751 1.00 0.00 O ATOM 198 CB CYS A 13 0.143 10.503 -3.849 1.00 0.00 C ATOM 199 SG CYS A 13 -1.396 11.154 -4.545 1.00 0.00 S ATOM 0 H CYS A 13 2.769 11.424 -2.957 1.00 0.00 H new ATOM 0 HA CYS A 13 1.420 10.874 -5.547 1.00 0.00 H new ATOM 0 HB2 CYS A 13 0.198 9.426 -4.008 1.00 0.00 H new ATOM 0 HB3 CYS A 13 0.165 10.668 -2.772 1.00 0.00 H new ATOM 204 N PRO A 14 1.979 13.416 -5.157 1.00 0.00 N ATOM 205 CA PRO A 14 1.937 14.889 -5.196 1.00 0.00 C ATOM 206 C PRO A 14 0.781 15.370 -6.079 1.00 0.00 C ATOM 207 O PRO A 14 -0.105 16.068 -5.630 1.00 0.00 O ATOM 208 CB PRO A 14 3.291 15.270 -5.804 1.00 0.00 C ATOM 209 CG PRO A 14 3.784 14.026 -6.583 1.00 0.00 C ATOM 210 CD PRO A 14 3.036 12.816 -5.996 1.00 0.00 C ATOM 0 HA PRO A 14 1.774 15.340 -4.217 1.00 0.00 H new ATOM 0 HB2 PRO A 14 3.191 16.129 -6.467 1.00 0.00 H new ATOM 0 HB3 PRO A 14 4.002 15.548 -5.026 1.00 0.00 H new ATOM 0 HG2 PRO A 14 3.578 14.129 -7.648 1.00 0.00 H new ATOM 0 HG3 PRO A 14 4.862 13.904 -6.477 1.00 0.00 H new ATOM 0 HD2 PRO A 14 2.613 12.190 -6.782 1.00 0.00 H new ATOM 0 HD3 PRO A 14 3.701 12.184 -5.407 1.00 0.00 H new ATOM 218 N SER A 15 0.783 15.002 -7.331 1.00 0.00 N ATOM 219 CA SER A 15 -0.317 15.440 -8.236 1.00 0.00 C ATOM 220 C SER A 15 -1.293 14.281 -8.448 1.00 0.00 C ATOM 221 O SER A 15 -0.897 13.156 -8.679 1.00 0.00 O ATOM 222 CB SER A 15 0.269 15.868 -9.582 1.00 0.00 C ATOM 223 OG SER A 15 1.055 17.038 -9.400 1.00 0.00 O ATOM 0 H SER A 15 1.497 14.418 -7.766 1.00 0.00 H new ATOM 0 HA SER A 15 -0.844 16.282 -7.787 1.00 0.00 H new ATOM 0 HB2 SER A 15 0.880 15.066 -9.997 1.00 0.00 H new ATOM 0 HB3 SER A 15 -0.532 16.061 -10.296 1.00 0.00 H new ATOM 0 HG SER A 15 1.434 17.315 -10.260 1.00 0.00 H new ATOM 229 N GLY A 16 -2.570 14.545 -8.370 1.00 0.00 N ATOM 230 CA GLY A 16 -3.570 13.457 -8.568 1.00 0.00 C ATOM 231 C GLY A 16 -4.543 13.436 -7.387 1.00 0.00 C ATOM 232 O GLY A 16 -5.199 14.416 -7.095 1.00 0.00 O ATOM 0 H GLY A 16 -2.963 15.466 -8.178 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -4.115 13.614 -9.499 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -3.064 12.495 -8.653 1.00 0.00 H new ATOM 236 N GLN A 17 -4.641 12.327 -6.707 1.00 0.00 N ATOM 237 CA GLN A 17 -5.574 12.244 -5.548 1.00 0.00 C ATOM 238 C GLN A 17 -4.843 12.680 -4.275 1.00 0.00 C ATOM 239 O GLN A 17 -3.821 13.334 -4.329 1.00 0.00 O ATOM 240 CB GLN A 17 -6.063 10.803 -5.389 1.00 0.00 C ATOM 241 CG GLN A 17 -6.736 10.347 -6.686 1.00 0.00 C ATOM 242 CD GLN A 17 -5.667 9.911 -7.690 1.00 0.00 C ATOM 243 OE1 GLN A 17 -5.499 10.528 -8.723 1.00 0.00 O ATOM 244 NE2 GLN A 17 -4.933 8.864 -7.429 1.00 0.00 N ATOM 0 H GLN A 17 -4.116 11.475 -6.904 1.00 0.00 H new ATOM 0 HA GLN A 17 -6.428 12.899 -5.720 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -5.225 10.147 -5.151 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -6.766 10.736 -4.559 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -7.418 9.521 -6.483 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -7.333 11.158 -7.103 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -5.074 8.346 -6.562 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -4.218 8.564 -8.092 1.00 0.00 H new ATOM 253 N GLU A 18 -5.361 12.326 -3.130 1.00 0.00 N ATOM 254 CA GLU A 18 -4.695 12.727 -1.858 1.00 0.00 C ATOM 255 C GLU A 18 -4.766 11.579 -0.849 1.00 0.00 C ATOM 256 O GLU A 18 -4.402 11.730 0.300 1.00 0.00 O ATOM 257 CB GLU A 18 -5.401 13.954 -1.279 1.00 0.00 C ATOM 258 CG GLU A 18 -5.469 15.053 -2.342 1.00 0.00 C ATOM 259 CD GLU A 18 -5.967 16.350 -1.705 1.00 0.00 C ATOM 260 OE1 GLU A 18 -7.085 16.355 -1.215 1.00 0.00 O ATOM 261 OE2 GLU A 18 -5.225 17.317 -1.719 1.00 0.00 O ATOM 0 H GLU A 18 -6.214 11.778 -3.021 1.00 0.00 H new ATOM 0 HA GLU A 18 -3.651 12.964 -2.060 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -6.406 13.688 -0.951 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -4.865 14.315 -0.401 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -4.485 15.207 -2.784 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -6.137 14.752 -3.149 1.00 0.00 H new ATOM 268 N ILE A 19 -5.232 10.432 -1.264 1.00 0.00 N ATOM 269 CA ILE A 19 -5.323 9.284 -0.323 1.00 0.00 C ATOM 270 C ILE A 19 -4.188 8.313 -0.601 1.00 0.00 C ATOM 271 O ILE A 19 -3.599 8.307 -1.663 1.00 0.00 O ATOM 272 CB ILE A 19 -6.653 8.564 -0.523 1.00 0.00 C ATOM 273 CG1 ILE A 19 -7.783 9.611 -0.639 1.00 0.00 C ATOM 274 CG2 ILE A 19 -6.897 7.603 0.649 1.00 0.00 C ATOM 275 CD1 ILE A 19 -8.682 9.608 0.607 1.00 0.00 C ATOM 0 H ILE A 19 -5.553 10.242 -2.214 1.00 0.00 H new ATOM 0 HA ILE A 19 -5.254 9.651 0.701 1.00 0.00 H new ATOM 0 HB ILE A 19 -6.632 7.977 -1.441 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -7.350 10.602 -0.774 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -8.385 9.402 -1.524 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -7.847 7.089 0.506 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -6.091 6.871 0.693 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -6.926 8.167 1.582 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -9.466 10.356 0.492 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -9.135 8.624 0.727 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -8.084 9.842 1.488 1.00 0.00 H new ATOM 287 N CYS A 20 -3.890 7.490 0.351 1.00 0.00 N ATOM 288 CA CYS A 20 -2.799 6.496 0.168 1.00 0.00 C ATOM 289 C CYS A 20 -3.346 5.103 0.467 1.00 0.00 C ATOM 290 O CYS A 20 -3.750 4.808 1.572 1.00 0.00 O ATOM 291 CB CYS A 20 -1.650 6.812 1.131 1.00 0.00 C ATOM 292 SG CYS A 20 -0.137 5.982 0.576 1.00 0.00 S ATOM 0 H CYS A 20 -4.356 7.458 1.258 1.00 0.00 H new ATOM 0 HA CYS A 20 -2.429 6.537 -0.856 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -1.489 7.889 1.178 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -1.907 6.484 2.138 1.00 0.00 H new ATOM 297 N TYR A 21 -3.359 4.231 -0.494 1.00 0.00 N ATOM 298 CA TYR A 21 -3.875 2.868 -0.212 1.00 0.00 C ATOM 299 C TYR A 21 -2.682 1.963 0.042 1.00 0.00 C ATOM 300 O TYR A 21 -1.589 2.227 -0.417 1.00 0.00 O ATOM 301 CB TYR A 21 -4.706 2.346 -1.398 1.00 0.00 C ATOM 302 CG TYR A 21 -3.804 1.816 -2.492 1.00 0.00 C ATOM 303 CD1 TYR A 21 -3.104 0.614 -2.312 1.00 0.00 C ATOM 304 CD2 TYR A 21 -3.670 2.529 -3.687 1.00 0.00 C ATOM 305 CE1 TYR A 21 -2.270 0.130 -3.326 1.00 0.00 C ATOM 306 CE2 TYR A 21 -2.836 2.045 -4.703 1.00 0.00 C ATOM 307 CZ TYR A 21 -2.136 0.845 -4.521 1.00 0.00 C ATOM 308 OH TYR A 21 -1.315 0.368 -5.522 1.00 0.00 O ATOM 0 H TYR A 21 -3.040 4.397 -1.449 1.00 0.00 H new ATOM 0 HA TYR A 21 -4.528 2.886 0.661 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -5.377 1.557 -1.059 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -5.331 3.148 -1.792 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -3.209 0.062 -1.390 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -4.210 3.454 -3.827 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -1.730 -0.795 -3.186 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -2.733 2.596 -5.626 1.00 0.00 H new ATOM 0 HH TYR A 21 -1.336 0.984 -6.284 1.00 0.00 H new ATOM 318 N VAL A 22 -2.865 0.904 0.764 1.00 0.00 N ATOM 319 CA VAL A 22 -1.710 0.011 1.025 1.00 0.00 C ATOM 320 C VAL A 22 -2.036 -1.400 0.532 1.00 0.00 C ATOM 321 O VAL A 22 -2.841 -2.104 1.107 1.00 0.00 O ATOM 322 CB VAL A 22 -1.397 0.001 2.525 1.00 0.00 C ATOM 323 CG1 VAL A 22 -1.377 1.440 3.056 1.00 0.00 C ATOM 324 CG2 VAL A 22 -2.464 -0.798 3.267 1.00 0.00 C ATOM 0 H VAL A 22 -3.751 0.618 1.181 1.00 0.00 H new ATOM 0 HA VAL A 22 -0.833 0.375 0.490 1.00 0.00 H new ATOM 0 HB VAL A 22 -0.422 -0.460 2.685 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -1.154 1.431 4.123 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -0.612 2.011 2.530 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -2.351 1.902 2.893 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -2.239 -0.803 4.333 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -3.440 -0.340 3.105 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -2.477 -1.822 2.894 1.00 0.00 H new ATOM 334 N LYS A 23 -1.409 -1.819 -0.535 1.00 0.00 N ATOM 335 CA LYS A 23 -1.677 -3.183 -1.068 1.00 0.00 C ATOM 336 C LYS A 23 -0.564 -4.110 -0.597 1.00 0.00 C ATOM 337 O LYS A 23 0.602 -3.773 -0.659 1.00 0.00 O ATOM 338 CB LYS A 23 -1.693 -3.149 -2.599 1.00 0.00 C ATOM 339 CG LYS A 23 -3.071 -2.701 -3.091 1.00 0.00 C ATOM 340 CD LYS A 23 -2.979 -2.290 -4.562 1.00 0.00 C ATOM 341 CE LYS A 23 -3.165 -3.522 -5.449 1.00 0.00 C ATOM 342 NZ LYS A 23 -1.876 -3.847 -6.123 1.00 0.00 N ATOM 0 H LYS A 23 -0.724 -1.275 -1.059 1.00 0.00 H new ATOM 0 HA LYS A 23 -2.644 -3.537 -0.711 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -0.926 -2.467 -2.965 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -1.458 -4.136 -2.997 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -3.792 -3.510 -2.973 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -3.429 -1.865 -2.490 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -3.742 -1.546 -4.791 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -2.012 -1.828 -4.762 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -3.498 -4.369 -4.849 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -3.940 -3.335 -6.193 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -2.001 -4.685 -6.726 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -1.577 -3.041 -6.708 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -1.149 -4.043 -5.406 1.00 0.00 H new ATOM 356 N SER A 24 -0.900 -5.270 -0.113 1.00 0.00 N ATOM 357 CA SER A 24 0.164 -6.187 0.364 1.00 0.00 C ATOM 358 C SER A 24 -0.052 -7.592 -0.195 1.00 0.00 C ATOM 359 O SER A 24 -0.955 -8.299 0.209 1.00 0.00 O ATOM 360 CB SER A 24 0.142 -6.240 1.892 1.00 0.00 C ATOM 361 OG SER A 24 0.875 -5.139 2.412 1.00 0.00 O ATOM 0 H SER A 24 -1.855 -5.619 -0.028 1.00 0.00 H new ATOM 0 HA SER A 24 1.129 -5.815 0.019 1.00 0.00 H new ATOM 0 HB2 SER A 24 -0.886 -6.210 2.253 1.00 0.00 H new ATOM 0 HB3 SER A 24 0.575 -7.177 2.241 1.00 0.00 H new ATOM 0 HG SER A 24 0.861 -5.170 3.391 1.00 0.00 H new ATOM 367 N TRP A 25 0.773 -8.006 -1.118 1.00 0.00 N ATOM 368 CA TRP A 25 0.613 -9.374 -1.692 1.00 0.00 C ATOM 369 C TRP A 25 1.986 -10.027 -1.861 1.00 0.00 C ATOM 370 O TRP A 25 2.870 -9.486 -2.494 1.00 0.00 O ATOM 371 CB TRP A 25 -0.061 -9.273 -3.053 1.00 0.00 C ATOM 372 CG TRP A 25 0.815 -8.501 -3.967 1.00 0.00 C ATOM 373 CD1 TRP A 25 1.581 -9.006 -4.957 1.00 0.00 C ATOM 374 CD2 TRP A 25 1.030 -7.081 -3.965 1.00 0.00 C ATOM 375 NE1 TRP A 25 2.238 -7.960 -5.586 1.00 0.00 N ATOM 376 CE2 TRP A 25 1.928 -6.748 -5.002 1.00 0.00 C ATOM 377 CE3 TRP A 25 0.517 -6.064 -3.164 1.00 0.00 C ATOM 378 CZ2 TRP A 25 2.306 -5.422 -5.231 1.00 0.00 C ATOM 379 CZ3 TRP A 25 0.888 -4.746 -3.378 1.00 0.00 C ATOM 380 CH2 TRP A 25 1.782 -4.413 -4.410 1.00 0.00 C ATOM 0 H TRP A 25 1.547 -7.461 -1.498 1.00 0.00 H new ATOM 0 HA TRP A 25 0.003 -9.977 -1.019 1.00 0.00 H new ATOM 0 HB2 TRP A 25 -0.244 -10.268 -3.458 1.00 0.00 H new ATOM 0 HB3 TRP A 25 -1.031 -8.784 -2.958 1.00 0.00 H new ATOM 0 HD1 TRP A 25 1.668 -10.051 -5.216 1.00 0.00 H new ATOM 0 HE1 TRP A 25 2.870 -8.071 -6.379 1.00 0.00 H new ATOM 0 HE3 TRP A 25 -0.175 -6.304 -2.370 1.00 0.00 H new ATOM 0 HZ2 TRP A 25 2.992 -5.178 -6.029 1.00 0.00 H new ATOM 0 HZ3 TRP A 25 0.486 -3.968 -2.746 1.00 0.00 H new ATOM 0 HH2 TRP A 25 2.065 -3.383 -4.570 1.00 0.00 H new ATOM 391 N CYS A 26 2.168 -11.190 -1.298 1.00 0.00 N ATOM 392 CA CYS A 26 3.479 -11.887 -1.423 1.00 0.00 C ATOM 393 C CYS A 26 3.391 -12.937 -2.531 1.00 0.00 C ATOM 394 O CYS A 26 2.461 -12.957 -3.313 1.00 0.00 O ATOM 395 CB CYS A 26 3.817 -12.574 -0.098 1.00 0.00 C ATOM 396 SG CYS A 26 5.285 -11.806 0.627 1.00 0.00 S ATOM 0 H CYS A 26 1.463 -11.689 -0.755 1.00 0.00 H new ATOM 0 HA CYS A 26 4.256 -11.163 -1.667 1.00 0.00 H new ATOM 0 HB2 CYS A 26 2.975 -12.494 0.590 1.00 0.00 H new ATOM 0 HB3 CYS A 26 3.994 -13.637 -0.263 1.00 0.00 H new ATOM 401 N ASN A 27 4.354 -13.810 -2.600 1.00 0.00 N ATOM 402 CA ASN A 27 4.335 -14.866 -3.652 1.00 0.00 C ATOM 403 C ASN A 27 4.157 -16.235 -2.993 1.00 0.00 C ATOM 404 O ASN A 27 4.302 -17.261 -3.625 1.00 0.00 O ATOM 405 CB ASN A 27 5.658 -14.841 -4.415 1.00 0.00 C ATOM 406 CG ASN A 27 5.414 -14.368 -5.850 1.00 0.00 C ATOM 407 OD1 ASN A 27 6.119 -13.514 -6.348 1.00 0.00 O ATOM 408 ND2 ASN A 27 4.438 -14.894 -6.540 1.00 0.00 N ATOM 0 H ASN A 27 5.157 -13.839 -1.972 1.00 0.00 H new ATOM 0 HA ASN A 27 3.510 -14.682 -4.341 1.00 0.00 H new ATOM 0 HB2 ASN A 27 6.364 -14.176 -3.917 1.00 0.00 H new ATOM 0 HB3 ASN A 27 6.105 -15.835 -4.420 1.00 0.00 H new ATOM 0 HD21 ASN A 27 4.268 -14.587 -7.498 1.00 0.00 H new ATOM 0 HD22 ASN A 27 3.846 -15.611 -6.121 1.00 0.00 H new ATOM 415 N ALA A 28 3.849 -16.250 -1.723 1.00 0.00 N ATOM 416 CA ALA A 28 3.658 -17.540 -0.996 1.00 0.00 C ATOM 417 C ALA A 28 5.011 -18.118 -0.596 1.00 0.00 C ATOM 418 O ALA A 28 5.096 -19.103 0.111 1.00 0.00 O ATOM 419 CB ALA A 28 2.889 -18.534 -1.876 1.00 0.00 C ATOM 0 H ALA A 28 3.720 -15.415 -1.152 1.00 0.00 H new ATOM 0 HA ALA A 28 3.076 -17.356 -0.093 1.00 0.00 H new ATOM 0 HB1 ALA A 28 2.756 -19.471 -1.335 1.00 0.00 H new ATOM 0 HB2 ALA A 28 1.913 -18.118 -2.127 1.00 0.00 H new ATOM 0 HB3 ALA A 28 3.451 -18.720 -2.791 1.00 0.00 H new ATOM 425 N TRP A 29 6.068 -17.513 -1.043 1.00 0.00 N ATOM 426 CA TRP A 29 7.422 -18.015 -0.697 1.00 0.00 C ATOM 427 C TRP A 29 8.378 -16.835 -0.481 1.00 0.00 C ATOM 428 O TRP A 29 9.577 -16.967 -0.619 1.00 0.00 O ATOM 429 CB TRP A 29 7.935 -18.878 -1.835 1.00 0.00 C ATOM 430 CG TRP A 29 7.197 -20.173 -1.853 1.00 0.00 C ATOM 431 CD1 TRP A 29 5.878 -20.342 -2.107 1.00 0.00 C ATOM 432 CD2 TRP A 29 7.737 -21.482 -1.607 1.00 0.00 C ATOM 433 NE1 TRP A 29 5.585 -21.695 -2.029 1.00 0.00 N ATOM 434 CE2 TRP A 29 6.708 -22.439 -1.720 1.00 0.00 C ATOM 435 CE3 TRP A 29 9.024 -21.907 -1.298 1.00 0.00 C ATOM 436 CZ2 TRP A 29 6.960 -23.798 -1.528 1.00 0.00 C ATOM 437 CZ3 TRP A 29 9.295 -23.272 -1.101 1.00 0.00 C ATOM 438 CH2 TRP A 29 8.262 -24.218 -1.216 1.00 0.00 C ATOM 0 H TRP A 29 6.054 -16.685 -1.638 1.00 0.00 H new ATOM 0 HA TRP A 29 7.368 -18.602 0.220 1.00 0.00 H new ATOM 0 HB2 TRP A 29 7.804 -18.360 -2.785 1.00 0.00 H new ATOM 0 HB3 TRP A 29 9.003 -19.058 -1.715 1.00 0.00 H new ATOM 0 HD1 TRP A 29 5.173 -19.556 -2.332 1.00 0.00 H new ATOM 0 HE1 TRP A 29 4.657 -22.091 -2.181 1.00 0.00 H new ATOM 0 HE3 TRP A 29 9.821 -21.184 -1.209 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 6.161 -24.519 -1.619 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 10.298 -23.594 -0.861 1.00 0.00 H new ATOM 0 HH2 TRP A 29 8.470 -25.267 -1.064 1.00 0.00 H new ATOM 449 N CYS A 30 7.853 -15.679 -0.156 1.00 0.00 N ATOM 450 CA CYS A 30 8.722 -14.483 0.067 1.00 0.00 C ATOM 451 C CYS A 30 9.413 -14.538 1.433 1.00 0.00 C ATOM 452 O CYS A 30 9.564 -13.526 2.084 1.00 0.00 O ATOM 453 CB CYS A 30 7.878 -13.219 0.002 1.00 0.00 C ATOM 454 SG CYS A 30 6.462 -13.372 1.116 1.00 0.00 S ATOM 0 H CYS A 30 6.854 -15.512 -0.035 1.00 0.00 H new ATOM 0 HA CYS A 30 9.484 -14.477 -0.712 1.00 0.00 H new ATOM 0 HB2 CYS A 30 8.480 -12.354 0.280 1.00 0.00 H new ATOM 0 HB3 CYS A 30 7.533 -13.053 -1.019 1.00 0.00 H new ATOM 459 N SER A 31 9.827 -15.686 1.880 1.00 0.00 N ATOM 460 CA SER A 31 10.501 -15.766 3.208 1.00 0.00 C ATOM 461 C SER A 31 11.585 -14.688 3.285 1.00 0.00 C ATOM 462 O SER A 31 12.715 -14.904 2.894 1.00 0.00 O ATOM 463 CB SER A 31 11.135 -17.146 3.372 1.00 0.00 C ATOM 464 OG SER A 31 11.964 -17.148 4.527 1.00 0.00 O ATOM 0 H SER A 31 9.730 -16.574 1.387 1.00 0.00 H new ATOM 0 HA SER A 31 9.772 -15.608 4.003 1.00 0.00 H new ATOM 0 HB2 SER A 31 10.360 -17.906 3.466 1.00 0.00 H new ATOM 0 HB3 SER A 31 11.722 -17.396 2.488 1.00 0.00 H new ATOM 0 HG SER A 31 12.371 -18.033 4.636 1.00 0.00 H new ATOM 470 N SER A 32 11.238 -13.527 3.774 1.00 0.00 N ATOM 471 CA SER A 32 12.226 -12.414 3.868 1.00 0.00 C ATOM 472 C SER A 32 13.115 -12.407 2.635 1.00 0.00 C ATOM 473 O SER A 32 14.235 -12.878 2.648 1.00 0.00 O ATOM 474 CB SER A 32 13.090 -12.578 5.105 1.00 0.00 C ATOM 475 OG SER A 32 12.357 -13.265 6.110 1.00 0.00 O ATOM 0 H SER A 32 10.304 -13.301 4.115 1.00 0.00 H new ATOM 0 HA SER A 32 11.681 -11.472 3.934 1.00 0.00 H new ATOM 0 HB2 SER A 32 13.995 -13.132 4.858 1.00 0.00 H new ATOM 0 HB3 SER A 32 13.405 -11.602 5.473 1.00 0.00 H new ATOM 0 HG SER A 32 12.916 -13.372 6.908 1.00 0.00 H new ATOM 481 N ARG A 33 12.614 -11.868 1.575 1.00 0.00 N ATOM 482 CA ARG A 33 13.406 -11.805 0.314 1.00 0.00 C ATOM 483 C ARG A 33 13.105 -10.491 -0.411 1.00 0.00 C ATOM 484 O ARG A 33 13.815 -9.516 -0.270 1.00 0.00 O ATOM 485 CB ARG A 33 13.035 -12.986 -0.585 1.00 0.00 C ATOM 486 CG ARG A 33 13.788 -12.874 -1.913 1.00 0.00 C ATOM 487 CD ARG A 33 13.077 -13.716 -2.973 1.00 0.00 C ATOM 488 NE ARG A 33 13.687 -15.075 -3.017 1.00 0.00 N ATOM 489 CZ ARG A 33 13.653 -15.770 -4.121 1.00 0.00 C ATOM 490 NH1 ARG A 33 12.859 -15.413 -5.093 1.00 0.00 N ATOM 491 NH2 ARG A 33 14.414 -16.822 -4.252 1.00 0.00 N ATOM 0 H ARG A 33 11.680 -11.461 1.518 1.00 0.00 H new ATOM 0 HA ARG A 33 14.469 -11.853 0.550 1.00 0.00 H new ATOM 0 HB2 ARG A 33 13.285 -13.925 -0.091 1.00 0.00 H new ATOM 0 HB3 ARG A 33 11.960 -12.996 -0.764 1.00 0.00 H new ATOM 0 HG2 ARG A 33 13.834 -11.832 -2.231 1.00 0.00 H new ATOM 0 HG3 ARG A 33 14.816 -13.216 -1.791 1.00 0.00 H new ATOM 0 HD2 ARG A 33 12.014 -13.790 -2.742 1.00 0.00 H new ATOM 0 HD3 ARG A 33 13.159 -13.237 -3.949 1.00 0.00 H new ATOM 0 HE ARG A 33 14.131 -15.462 -2.184 1.00 0.00 H new ATOM 0 HH11 ARG A 33 12.265 -14.590 -4.990 1.00 0.00 H new ATOM 0 HH12 ARG A 33 12.833 -15.956 -5.956 1.00 0.00 H new ATOM 0 HH21 ARG A 33 15.035 -17.100 -3.492 1.00 0.00 H new ATOM 0 HH22 ARG A 33 14.388 -17.366 -5.114 1.00 0.00 H new ATOM 505 N GLY A 34 12.055 -10.459 -1.186 1.00 0.00 N ATOM 506 CA GLY A 34 11.706 -9.209 -1.918 1.00 0.00 C ATOM 507 C GLY A 34 10.192 -9.151 -2.123 1.00 0.00 C ATOM 508 O GLY A 34 9.708 -9.005 -3.228 1.00 0.00 O ATOM 0 H GLY A 34 11.424 -11.245 -1.344 1.00 0.00 H new ATOM 0 HA2 GLY A 34 12.042 -8.338 -1.355 1.00 0.00 H new ATOM 0 HA3 GLY A 34 12.216 -9.183 -2.881 1.00 0.00 H new ATOM 512 N LYS A 35 9.440 -9.267 -1.063 1.00 0.00 N ATOM 513 CA LYS A 35 7.956 -9.223 -1.192 1.00 0.00 C ATOM 514 C LYS A 35 7.553 -8.056 -2.095 1.00 0.00 C ATOM 515 O LYS A 35 8.321 -7.145 -2.330 1.00 0.00 O ATOM 516 CB LYS A 35 7.327 -9.026 0.190 1.00 0.00 C ATOM 517 CG LYS A 35 7.999 -9.956 1.203 1.00 0.00 C ATOM 518 CD LYS A 35 8.690 -9.118 2.281 1.00 0.00 C ATOM 519 CE LYS A 35 8.946 -9.982 3.516 1.00 0.00 C ATOM 520 NZ LYS A 35 7.669 -10.616 3.953 1.00 0.00 N ATOM 0 H LYS A 35 9.789 -9.390 -0.113 1.00 0.00 H new ATOM 0 HA LYS A 35 7.607 -10.160 -1.625 1.00 0.00 H new ATOM 0 HB2 LYS A 35 7.438 -7.989 0.506 1.00 0.00 H new ATOM 0 HB3 LYS A 35 6.258 -9.233 0.146 1.00 0.00 H new ATOM 0 HG2 LYS A 35 7.258 -10.614 1.657 1.00 0.00 H new ATOM 0 HG3 LYS A 35 8.726 -10.594 0.701 1.00 0.00 H new ATOM 0 HD2 LYS A 35 9.631 -8.722 1.900 1.00 0.00 H new ATOM 0 HD3 LYS A 35 8.068 -8.263 2.545 1.00 0.00 H new ATOM 0 HE2 LYS A 35 9.686 -10.749 3.289 1.00 0.00 H new ATOM 0 HE3 LYS A 35 9.356 -9.372 4.321 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 7.652 -10.682 4.991 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 6.866 -10.039 3.629 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 7.597 -11.570 3.544 1.00 0.00 H new ATOM 534 N VAL A 36 6.346 -8.070 -2.589 1.00 0.00 N ATOM 535 CA VAL A 36 5.880 -6.954 -3.459 1.00 0.00 C ATOM 536 C VAL A 36 4.764 -6.224 -2.722 1.00 0.00 C ATOM 537 O VAL A 36 3.656 -6.114 -3.198 1.00 0.00 O ATOM 538 CB VAL A 36 5.336 -7.499 -4.787 1.00 0.00 C ATOM 539 CG1 VAL A 36 5.807 -6.603 -5.935 1.00 0.00 C ATOM 540 CG2 VAL A 36 5.845 -8.924 -5.017 1.00 0.00 C ATOM 0 H VAL A 36 5.661 -8.808 -2.427 1.00 0.00 H new ATOM 0 HA VAL A 36 6.711 -6.283 -3.676 1.00 0.00 H new ATOM 0 HB VAL A 36 4.247 -7.509 -4.748 1.00 0.00 H new ATOM 0 HG11 VAL A 36 5.422 -6.988 -6.879 1.00 0.00 H new ATOM 0 HG12 VAL A 36 5.439 -5.589 -5.780 1.00 0.00 H new ATOM 0 HG13 VAL A 36 6.897 -6.593 -5.965 1.00 0.00 H new ATOM 0 HG21 VAL A 36 5.454 -9.302 -5.961 1.00 0.00 H new ATOM 0 HG22 VAL A 36 6.934 -8.920 -5.051 1.00 0.00 H new ATOM 0 HG23 VAL A 36 5.510 -9.566 -4.202 1.00 0.00 H new ATOM 550 N LEU A 37 5.042 -5.753 -1.542 1.00 0.00 N ATOM 551 CA LEU A 37 4.000 -5.065 -0.752 1.00 0.00 C ATOM 552 C LEU A 37 4.273 -3.559 -0.749 1.00 0.00 C ATOM 553 O LEU A 37 5.052 -3.063 0.041 1.00 0.00 O ATOM 554 CB LEU A 37 4.061 -5.608 0.673 1.00 0.00 C ATOM 555 CG LEU A 37 3.412 -7.000 0.742 1.00 0.00 C ATOM 556 CD1 LEU A 37 3.816 -7.839 -0.478 1.00 0.00 C ATOM 557 CD2 LEU A 37 3.874 -7.708 2.013 1.00 0.00 C ATOM 0 H LEU A 37 5.955 -5.818 -1.091 1.00 0.00 H new ATOM 0 HA LEU A 37 3.013 -5.239 -1.181 1.00 0.00 H new ATOM 0 HB2 LEU A 37 5.098 -5.666 1.003 1.00 0.00 H new ATOM 0 HB3 LEU A 37 3.548 -4.926 1.351 1.00 0.00 H new ATOM 0 HG LEU A 37 2.328 -6.885 0.750 1.00 0.00 H new ATOM 0 HD11 LEU A 37 3.349 -8.822 -0.415 1.00 0.00 H new ATOM 0 HD12 LEU A 37 3.487 -7.339 -1.389 1.00 0.00 H new ATOM 0 HD13 LEU A 37 4.900 -7.953 -0.498 1.00 0.00 H new ATOM 0 HD21 LEU A 37 3.416 -8.696 2.066 1.00 0.00 H new ATOM 0 HD22 LEU A 37 4.959 -7.811 1.998 1.00 0.00 H new ATOM 0 HD23 LEU A 37 3.577 -7.123 2.884 1.00 0.00 H new ATOM 569 N GLU A 38 3.647 -2.828 -1.631 1.00 0.00 N ATOM 570 CA GLU A 38 3.883 -1.358 -1.677 1.00 0.00 C ATOM 571 C GLU A 38 2.559 -0.606 -1.534 1.00 0.00 C ATOM 572 O GLU A 38 1.489 -1.170 -1.664 1.00 0.00 O ATOM 573 CB GLU A 38 4.536 -0.985 -3.009 1.00 0.00 C ATOM 574 CG GLU A 38 3.515 -1.125 -4.139 1.00 0.00 C ATOM 575 CD GLU A 38 4.202 -1.694 -5.383 1.00 0.00 C ATOM 576 OE1 GLU A 38 5.372 -1.403 -5.574 1.00 0.00 O ATOM 577 OE2 GLU A 38 3.548 -2.410 -6.122 1.00 0.00 O ATOM 0 H GLU A 38 2.984 -3.184 -2.320 1.00 0.00 H new ATOM 0 HA GLU A 38 4.542 -1.081 -0.854 1.00 0.00 H new ATOM 0 HB2 GLU A 38 4.910 0.038 -2.968 1.00 0.00 H new ATOM 0 HB3 GLU A 38 5.394 -1.631 -3.198 1.00 0.00 H new ATOM 0 HG2 GLU A 38 2.701 -1.780 -3.829 1.00 0.00 H new ATOM 0 HG3 GLU A 38 3.074 -0.155 -4.366 1.00 0.00 H new ATOM 584 N PHE A 39 2.632 0.670 -1.270 1.00 0.00 N ATOM 585 CA PHE A 39 1.400 1.478 -1.118 1.00 0.00 C ATOM 586 C PHE A 39 1.477 2.679 -2.066 1.00 0.00 C ATOM 587 O PHE A 39 2.545 3.180 -2.353 1.00 0.00 O ATOM 588 CB PHE A 39 1.289 1.950 0.334 1.00 0.00 C ATOM 589 CG PHE A 39 1.708 0.824 1.254 1.00 0.00 C ATOM 590 CD1 PHE A 39 1.261 -0.483 1.010 1.00 0.00 C ATOM 591 CD2 PHE A 39 2.546 1.083 2.346 1.00 0.00 C ATOM 592 CE1 PHE A 39 1.652 -1.528 1.858 1.00 0.00 C ATOM 593 CE2 PHE A 39 2.938 0.036 3.194 1.00 0.00 C ATOM 594 CZ PHE A 39 2.490 -1.270 2.950 1.00 0.00 C ATOM 0 H PHE A 39 3.503 1.187 -1.153 1.00 0.00 H new ATOM 0 HA PHE A 39 0.520 0.884 -1.365 1.00 0.00 H new ATOM 0 HB2 PHE A 39 1.922 2.823 0.495 1.00 0.00 H new ATOM 0 HB3 PHE A 39 0.265 2.254 0.553 1.00 0.00 H new ATOM 0 HD1 PHE A 39 0.615 -0.684 0.168 1.00 0.00 H new ATOM 0 HD2 PHE A 39 2.891 2.089 2.535 1.00 0.00 H new ATOM 0 HE1 PHE A 39 1.307 -2.534 1.669 1.00 0.00 H new ATOM 0 HE2 PHE A 39 3.585 0.236 4.035 1.00 0.00 H new ATOM 0 HZ PHE A 39 2.791 -2.076 3.603 1.00 0.00 H new ATOM 604 N GLY A 40 0.362 3.136 -2.575 1.00 0.00 N ATOM 605 CA GLY A 40 0.406 4.290 -3.519 1.00 0.00 C ATOM 606 C GLY A 40 -0.663 5.323 -3.155 1.00 0.00 C ATOM 607 O GLY A 40 -1.000 5.509 -2.001 1.00 0.00 O ATOM 0 H GLY A 40 -0.568 2.764 -2.380 1.00 0.00 H new ATOM 0 HA2 GLY A 40 1.392 4.753 -3.490 1.00 0.00 H new ATOM 0 HA3 GLY A 40 0.248 3.939 -4.539 1.00 0.00 H new ATOM 611 N CYS A 41 -1.194 6.002 -4.139 1.00 0.00 N ATOM 612 CA CYS A 41 -2.225 7.030 -3.871 1.00 0.00 C ATOM 613 C CYS A 41 -3.594 6.428 -4.136 1.00 0.00 C ATOM 614 O CYS A 41 -3.723 5.297 -4.551 1.00 0.00 O ATOM 615 CB CYS A 41 -2.006 8.209 -4.820 1.00 0.00 C ATOM 616 SG CYS A 41 -2.761 9.715 -4.156 1.00 0.00 S ATOM 0 H CYS A 41 -0.951 5.882 -5.122 1.00 0.00 H new ATOM 0 HA CYS A 41 -2.160 7.369 -2.837 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -0.938 8.368 -4.970 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -2.435 7.981 -5.796 1.00 0.00 H new ATOM 621 N ALA A 42 -4.611 7.184 -3.904 1.00 0.00 N ATOM 622 CA ALA A 42 -5.992 6.677 -4.134 1.00 0.00 C ATOM 623 C ALA A 42 -7.012 7.736 -3.725 1.00 0.00 C ATOM 624 O ALA A 42 -6.674 8.839 -3.347 1.00 0.00 O ATOM 625 CB ALA A 42 -6.214 5.410 -3.305 1.00 0.00 C ATOM 0 H ALA A 42 -4.554 8.143 -3.561 1.00 0.00 H new ATOM 0 HA ALA A 42 -6.117 6.450 -5.193 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -7.225 5.038 -3.473 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -5.493 4.649 -3.603 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -6.083 5.639 -2.248 1.00 0.00 H new ATOM 631 N ALA A 43 -8.264 7.395 -3.810 1.00 0.00 N ATOM 632 CA ALA A 43 -9.338 8.352 -3.443 1.00 0.00 C ATOM 633 C ALA A 43 -10.036 7.882 -2.161 1.00 0.00 C ATOM 634 O ALA A 43 -10.321 8.665 -1.277 1.00 0.00 O ATOM 635 CB ALA A 43 -10.359 8.423 -4.578 1.00 0.00 C ATOM 0 H ALA A 43 -8.593 6.481 -4.122 1.00 0.00 H new ATOM 0 HA ALA A 43 -8.903 9.337 -3.275 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -11.150 9.125 -4.313 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -9.866 8.759 -5.490 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -10.790 7.435 -4.742 1.00 0.00 H new ATOM 641 N THR A 44 -10.318 6.609 -2.051 1.00 0.00 N ATOM 642 CA THR A 44 -10.997 6.108 -0.825 1.00 0.00 C ATOM 643 C THR A 44 -10.559 4.667 -0.540 1.00 0.00 C ATOM 644 O THR A 44 -10.442 3.853 -1.434 1.00 0.00 O ATOM 645 CB THR A 44 -12.514 6.145 -1.028 1.00 0.00 C ATOM 646 OG1 THR A 44 -12.932 4.958 -1.688 1.00 0.00 O ATOM 647 CG2 THR A 44 -12.887 7.362 -1.875 1.00 0.00 C ATOM 0 H THR A 44 -10.108 5.901 -2.754 1.00 0.00 H new ATOM 0 HA THR A 44 -10.724 6.742 0.019 1.00 0.00 H new ATOM 0 HB THR A 44 -13.009 6.214 -0.059 1.00 0.00 H new ATOM 0 HG1 THR A 44 -13.903 4.980 -1.817 1.00 0.00 H new ATOM 0 HG21 THR A 44 -13.967 7.388 -2.019 1.00 0.00 H new ATOM 0 HG22 THR A 44 -12.567 8.271 -1.366 1.00 0.00 H new ATOM 0 HG23 THR A 44 -12.393 7.296 -2.844 1.00 0.00 H new ATOM 655 N CYS A 45 -10.316 4.360 0.706 1.00 0.00 N ATOM 656 CA CYS A 45 -9.884 2.999 1.092 1.00 0.00 C ATOM 657 C CYS A 45 -10.627 1.944 0.252 1.00 0.00 C ATOM 658 O CYS A 45 -11.822 1.787 0.397 1.00 0.00 O ATOM 659 CB CYS A 45 -10.221 2.805 2.569 1.00 0.00 C ATOM 660 SG CYS A 45 -9.423 1.308 3.192 1.00 0.00 S ATOM 0 H CYS A 45 -10.403 5.014 1.484 1.00 0.00 H new ATOM 0 HA CYS A 45 -8.814 2.883 0.919 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -9.889 3.670 3.143 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -11.301 2.732 2.698 1.00 0.00 H new ATOM 665 N PRO A 46 -9.909 1.248 -0.606 1.00 0.00 N ATOM 666 CA PRO A 46 -10.507 0.211 -1.467 1.00 0.00 C ATOM 667 C PRO A 46 -10.685 -1.098 -0.692 1.00 0.00 C ATOM 668 O PRO A 46 -10.626 -1.127 0.521 1.00 0.00 O ATOM 669 CB PRO A 46 -9.485 0.044 -2.593 1.00 0.00 C ATOM 670 CG PRO A 46 -8.133 0.555 -2.041 1.00 0.00 C ATOM 671 CD PRO A 46 -8.451 1.418 -0.805 1.00 0.00 C ATOM 0 HA PRO A 46 -11.498 0.481 -1.833 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -9.410 -1.000 -2.897 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -9.783 0.612 -3.474 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -7.485 -0.280 -1.773 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -7.605 1.139 -2.794 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -7.889 1.086 0.068 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -8.191 2.463 -0.972 1.00 0.00 H new ATOM 679 N SER A 47 -10.904 -2.182 -1.386 1.00 0.00 N ATOM 680 CA SER A 47 -11.086 -3.489 -0.692 1.00 0.00 C ATOM 681 C SER A 47 -9.987 -4.461 -1.130 1.00 0.00 C ATOM 682 O SER A 47 -8.892 -4.061 -1.471 1.00 0.00 O ATOM 683 CB SER A 47 -12.453 -4.071 -1.053 1.00 0.00 C ATOM 684 OG SER A 47 -13.268 -3.047 -1.606 1.00 0.00 O ATOM 0 H SER A 47 -10.965 -2.219 -2.404 1.00 0.00 H new ATOM 0 HA SER A 47 -11.027 -3.337 0.386 1.00 0.00 H new ATOM 0 HB2 SER A 47 -12.337 -4.885 -1.768 1.00 0.00 H new ATOM 0 HB3 SER A 47 -12.928 -4.491 -0.166 1.00 0.00 H new ATOM 0 HG SER A 47 -14.145 -3.417 -1.840 1.00 0.00 H new ATOM 690 N VAL A 48 -10.272 -5.735 -1.122 1.00 0.00 N ATOM 691 CA VAL A 48 -9.244 -6.733 -1.534 1.00 0.00 C ATOM 692 C VAL A 48 -9.600 -7.306 -2.908 1.00 0.00 C ATOM 693 O VAL A 48 -10.343 -8.262 -3.018 1.00 0.00 O ATOM 694 CB VAL A 48 -9.195 -7.854 -0.508 1.00 0.00 C ATOM 695 CG1 VAL A 48 -8.272 -8.971 -1.001 1.00 0.00 C ATOM 696 CG2 VAL A 48 -8.670 -7.306 0.821 1.00 0.00 C ATOM 0 H VAL A 48 -11.173 -6.128 -0.848 1.00 0.00 H new ATOM 0 HA VAL A 48 -8.269 -6.249 -1.593 1.00 0.00 H new ATOM 0 HB VAL A 48 -10.199 -8.255 -0.367 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -8.241 -9.771 -0.261 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -8.649 -9.364 -1.945 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -7.267 -8.574 -1.148 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -8.635 -8.109 1.557 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -7.668 -6.901 0.677 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -9.333 -6.517 1.176 1.00 0.00 H new ATOM 706 N ASN A 49 -9.080 -6.729 -3.956 1.00 0.00 N ATOM 707 CA ASN A 49 -9.390 -7.236 -5.317 1.00 0.00 C ATOM 708 C ASN A 49 -9.016 -8.722 -5.413 1.00 0.00 C ATOM 709 O ASN A 49 -9.712 -9.575 -4.899 1.00 0.00 O ATOM 710 CB ASN A 49 -8.604 -6.428 -6.353 1.00 0.00 C ATOM 711 CG ASN A 49 -8.850 -7.008 -7.748 1.00 0.00 C ATOM 712 OD1 ASN A 49 -7.945 -7.081 -8.555 1.00 0.00 O ATOM 713 ND2 ASN A 49 -10.044 -7.425 -8.067 1.00 0.00 N ATOM 0 H ASN A 49 -8.452 -5.926 -3.926 1.00 0.00 H new ATOM 0 HA ASN A 49 -10.457 -7.127 -5.513 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -8.911 -5.383 -6.323 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -7.540 -6.455 -6.119 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -10.218 -7.813 -8.994 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -10.804 -7.364 -7.389 1.00 0.00 H new ATOM 720 N THR A 50 -7.923 -9.045 -6.058 1.00 0.00 N ATOM 721 CA THR A 50 -7.518 -10.476 -6.170 1.00 0.00 C ATOM 722 C THR A 50 -7.038 -10.961 -4.797 1.00 0.00 C ATOM 723 O THR A 50 -7.643 -10.662 -3.787 1.00 0.00 O ATOM 724 CB THR A 50 -6.400 -10.599 -7.213 1.00 0.00 C ATOM 725 OG1 THR A 50 -6.150 -11.972 -7.485 1.00 0.00 O ATOM 726 CG2 THR A 50 -5.127 -9.932 -6.689 1.00 0.00 C ATOM 0 H THR A 50 -7.296 -8.380 -6.510 1.00 0.00 H new ATOM 0 HA THR A 50 -8.360 -11.091 -6.488 1.00 0.00 H new ATOM 0 HB THR A 50 -6.709 -10.102 -8.133 1.00 0.00 H new ATOM 0 HG1 THR A 50 -5.437 -12.049 -8.153 1.00 0.00 H new ATOM 0 HG21 THR A 50 -4.336 -10.022 -7.434 1.00 0.00 H new ATOM 0 HG22 THR A 50 -5.323 -8.878 -6.493 1.00 0.00 H new ATOM 0 HG23 THR A 50 -4.814 -10.420 -5.766 1.00 0.00 H new ATOM 734 N GLY A 51 -5.951 -11.688 -4.736 1.00 0.00 N ATOM 735 CA GLY A 51 -5.450 -12.156 -3.413 1.00 0.00 C ATOM 736 C GLY A 51 -4.549 -11.072 -2.815 1.00 0.00 C ATOM 737 O GLY A 51 -3.536 -11.357 -2.206 1.00 0.00 O ATOM 0 H GLY A 51 -5.394 -11.975 -5.541 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -6.286 -12.363 -2.745 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -4.895 -13.087 -3.527 1.00 0.00 H new ATOM 741 N THR A 52 -4.912 -9.830 -2.991 1.00 0.00 N ATOM 742 CA THR A 52 -4.090 -8.719 -2.445 1.00 0.00 C ATOM 743 C THR A 52 -4.829 -8.084 -1.266 1.00 0.00 C ATOM 744 O THR A 52 -5.970 -7.687 -1.381 1.00 0.00 O ATOM 745 CB THR A 52 -3.875 -7.674 -3.548 1.00 0.00 C ATOM 746 OG1 THR A 52 -2.892 -8.149 -4.459 1.00 0.00 O ATOM 747 CG2 THR A 52 -3.405 -6.353 -2.930 1.00 0.00 C ATOM 0 H THR A 52 -5.750 -9.538 -3.494 1.00 0.00 H new ATOM 0 HA THR A 52 -3.125 -9.094 -2.105 1.00 0.00 H new ATOM 0 HB THR A 52 -4.814 -7.507 -4.075 1.00 0.00 H new ATOM 0 HG1 THR A 52 -2.753 -7.485 -5.166 1.00 0.00 H new ATOM 0 HG21 THR A 52 -3.254 -5.616 -3.719 1.00 0.00 H new ATOM 0 HG22 THR A 52 -4.159 -5.989 -2.232 1.00 0.00 H new ATOM 0 HG23 THR A 52 -2.467 -6.513 -2.399 1.00 0.00 H new ATOM 755 N GLU A 53 -4.191 -7.985 -0.131 1.00 0.00 N ATOM 756 CA GLU A 53 -4.870 -7.376 1.044 1.00 0.00 C ATOM 757 C GLU A 53 -4.667 -5.861 1.017 1.00 0.00 C ATOM 758 O GLU A 53 -3.567 -5.370 1.173 1.00 0.00 O ATOM 759 CB GLU A 53 -4.284 -7.954 2.336 1.00 0.00 C ATOM 760 CG GLU A 53 -2.860 -7.433 2.539 1.00 0.00 C ATOM 761 CD GLU A 53 -2.156 -8.277 3.604 1.00 0.00 C ATOM 762 OE1 GLU A 53 -2.708 -8.414 4.684 1.00 0.00 O ATOM 763 OE2 GLU A 53 -1.078 -8.773 3.322 1.00 0.00 O ATOM 0 H GLU A 53 -3.234 -8.298 0.031 1.00 0.00 H new ATOM 0 HA GLU A 53 -5.936 -7.600 1.005 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -4.907 -7.675 3.185 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -4.279 -9.043 2.288 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -2.308 -7.478 1.600 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -2.884 -6.387 2.845 1.00 0.00 H new ATOM 770 N ILE A 54 -5.717 -5.114 0.815 1.00 0.00 N ATOM 771 CA ILE A 54 -5.574 -3.636 0.776 1.00 0.00 C ATOM 772 C ILE A 54 -6.038 -3.052 2.113 1.00 0.00 C ATOM 773 O ILE A 54 -6.794 -3.660 2.843 1.00 0.00 O ATOM 774 CB ILE A 54 -6.408 -3.073 -0.398 1.00 0.00 C ATOM 775 CG1 ILE A 54 -5.477 -2.332 -1.359 1.00 0.00 C ATOM 776 CG2 ILE A 54 -7.489 -2.099 0.099 1.00 0.00 C ATOM 777 CD1 ILE A 54 -5.912 -2.604 -2.799 1.00 0.00 C ATOM 0 H ILE A 54 -6.665 -5.464 0.676 1.00 0.00 H new ATOM 0 HA ILE A 54 -4.531 -3.359 0.620 1.00 0.00 H new ATOM 0 HB ILE A 54 -6.900 -3.906 -0.900 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -5.504 -1.261 -1.156 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -4.448 -2.659 -1.210 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -8.057 -1.721 -0.751 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -8.161 -2.619 0.782 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -7.017 -1.265 0.619 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -5.249 -2.076 -3.485 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -5.863 -3.675 -2.998 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -6.935 -2.255 -2.942 1.00 0.00 H new ATOM 789 N LYS A 55 -5.597 -1.871 2.424 1.00 0.00 N ATOM 790 CA LYS A 55 -6.011 -1.231 3.694 1.00 0.00 C ATOM 791 C LYS A 55 -6.081 0.279 3.481 1.00 0.00 C ATOM 792 O LYS A 55 -5.783 0.780 2.410 1.00 0.00 O ATOM 793 CB LYS A 55 -4.994 -1.547 4.792 1.00 0.00 C ATOM 794 CG LYS A 55 -4.377 -2.925 4.544 1.00 0.00 C ATOM 795 CD LYS A 55 -3.519 -3.323 5.747 1.00 0.00 C ATOM 796 CE LYS A 55 -2.168 -3.851 5.260 1.00 0.00 C ATOM 797 NZ LYS A 55 -2.170 -5.341 5.308 1.00 0.00 N ATOM 0 H LYS A 55 -4.963 -1.318 1.848 1.00 0.00 H new ATOM 0 HA LYS A 55 -6.986 -1.611 3.997 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -4.214 -0.786 4.808 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -5.480 -1.526 5.768 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -5.162 -3.664 4.384 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -3.768 -2.906 3.640 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -3.371 -2.464 6.401 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -4.029 -4.087 6.334 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -1.977 -3.510 4.243 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -1.365 -3.458 5.884 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -1.352 -5.706 4.779 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -2.112 -5.657 6.297 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -3.047 -5.701 4.881 1.00 0.00 H new ATOM 811 N CYS A 56 -6.463 1.007 4.491 1.00 0.00 N ATOM 812 CA CYS A 56 -6.558 2.484 4.353 1.00 0.00 C ATOM 813 C CYS A 56 -5.299 3.106 4.949 1.00 0.00 C ATOM 814 O CYS A 56 -4.855 2.728 6.015 1.00 0.00 O ATOM 815 CB CYS A 56 -7.792 3.000 5.106 1.00 0.00 C ATOM 816 SG CYS A 56 -9.082 1.724 5.139 1.00 0.00 S ATOM 0 H CYS A 56 -6.714 0.641 5.409 1.00 0.00 H new ATOM 0 HA CYS A 56 -6.650 2.754 3.301 1.00 0.00 H new ATOM 0 HB2 CYS A 56 -7.517 3.276 6.124 1.00 0.00 H new ATOM 0 HB3 CYS A 56 -8.172 3.900 4.623 1.00 0.00 H new ATOM 821 N CYS A 57 -4.701 4.035 4.259 1.00 0.00 N ATOM 822 CA CYS A 57 -3.451 4.647 4.781 1.00 0.00 C ATOM 823 C CYS A 57 -3.299 6.075 4.258 1.00 0.00 C ATOM 824 O CYS A 57 -3.722 6.406 3.168 1.00 0.00 O ATOM 825 CB CYS A 57 -2.268 3.804 4.304 1.00 0.00 C ATOM 826 SG CYS A 57 -0.718 4.513 4.907 1.00 0.00 S ATOM 0 H CYS A 57 -5.022 4.395 3.360 1.00 0.00 H new ATOM 0 HA CYS A 57 -3.486 4.678 5.870 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -2.373 2.780 4.663 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -2.258 3.761 3.215 1.00 0.00 H new ATOM 831 N SER A 58 -2.692 6.926 5.029 1.00 0.00 N ATOM 832 CA SER A 58 -2.506 8.324 4.565 1.00 0.00 C ATOM 833 C SER A 58 -1.110 8.819 4.930 1.00 0.00 C ATOM 834 O SER A 58 -0.684 9.875 4.505 1.00 0.00 O ATOM 835 CB SER A 58 -3.561 9.225 5.206 1.00 0.00 C ATOM 836 OG SER A 58 -3.857 8.746 6.511 1.00 0.00 O ATOM 0 H SER A 58 -2.318 6.717 5.955 1.00 0.00 H new ATOM 0 HA SER A 58 -2.617 8.355 3.481 1.00 0.00 H new ATOM 0 HB2 SER A 58 -3.197 10.251 5.257 1.00 0.00 H new ATOM 0 HB3 SER A 58 -4.465 9.237 4.597 1.00 0.00 H new ATOM 0 HG SER A 58 -4.532 9.323 6.926 1.00 0.00 H new ATOM 842 N ALA A 59 -0.393 8.069 5.707 1.00 0.00 N ATOM 843 CA ALA A 59 0.980 8.498 6.092 1.00 0.00 C ATOM 844 C ALA A 59 1.737 7.294 6.653 1.00 0.00 C ATOM 845 O ALA A 59 2.010 6.340 5.952 1.00 0.00 O ATOM 846 CB ALA A 59 0.882 9.601 7.144 1.00 0.00 C ATOM 0 H ALA A 59 -0.695 7.175 6.095 1.00 0.00 H new ATOM 0 HA ALA A 59 1.515 8.883 5.224 1.00 0.00 H new ATOM 0 HB1 ALA A 59 1.884 9.920 7.431 1.00 0.00 H new ATOM 0 HB2 ALA A 59 0.335 10.449 6.732 1.00 0.00 H new ATOM 0 HB3 ALA A 59 0.357 9.222 8.021 1.00 0.00 H new ATOM 852 N ASP A 60 2.048 7.313 7.923 1.00 0.00 N ATOM 853 CA ASP A 60 2.744 6.156 8.534 1.00 0.00 C ATOM 854 C ASP A 60 1.679 5.294 9.197 1.00 0.00 C ATOM 855 O ASP A 60 1.896 4.667 10.214 1.00 0.00 O ATOM 856 CB ASP A 60 3.752 6.642 9.579 1.00 0.00 C ATOM 857 CG ASP A 60 4.342 5.439 10.316 1.00 0.00 C ATOM 858 OD1 ASP A 60 4.245 4.341 9.792 1.00 0.00 O ATOM 859 OD2 ASP A 60 4.879 5.633 11.394 1.00 0.00 O ATOM 0 H ASP A 60 1.847 8.084 8.560 1.00 0.00 H new ATOM 0 HA ASP A 60 3.290 5.588 7.780 1.00 0.00 H new ATOM 0 HB2 ASP A 60 4.546 7.212 9.096 1.00 0.00 H new ATOM 0 HB3 ASP A 60 3.264 7.312 10.287 1.00 0.00 H new ATOM 864 N LYS A 61 0.517 5.274 8.609 1.00 0.00 N ATOM 865 CA LYS A 61 -0.598 4.474 9.165 1.00 0.00 C ATOM 866 C LYS A 61 -0.830 3.260 8.270 1.00 0.00 C ATOM 867 O LYS A 61 -1.714 2.459 8.505 1.00 0.00 O ATOM 868 CB LYS A 61 -1.867 5.333 9.209 1.00 0.00 C ATOM 869 CG LYS A 61 -3.089 4.438 9.423 1.00 0.00 C ATOM 870 CD LYS A 61 -4.309 5.304 9.744 1.00 0.00 C ATOM 871 CE LYS A 61 -5.065 4.700 10.929 1.00 0.00 C ATOM 872 NZ LYS A 61 -6.024 3.672 10.435 1.00 0.00 N ATOM 0 H LYS A 61 0.293 5.786 7.756 1.00 0.00 H new ATOM 0 HA LYS A 61 -0.353 4.144 10.174 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -1.795 6.065 10.014 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -1.972 5.892 8.279 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -3.278 3.843 8.529 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -2.902 3.739 10.238 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -3.995 6.321 9.979 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -4.963 5.366 8.875 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -4.363 4.250 11.631 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -5.599 5.481 11.469 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -6.538 3.261 11.240 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -6.701 4.115 9.781 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -5.503 2.922 9.938 1.00 0.00 H new ATOM 886 N CYS A 62 -0.041 3.118 7.241 1.00 0.00 N ATOM 887 CA CYS A 62 -0.213 1.960 6.325 1.00 0.00 C ATOM 888 C CYS A 62 -0.177 0.664 7.137 1.00 0.00 C ATOM 889 O CYS A 62 -1.058 -0.166 7.038 1.00 0.00 O ATOM 890 CB CYS A 62 0.920 1.952 5.295 1.00 0.00 C ATOM 891 SG CYS A 62 0.709 3.317 4.113 1.00 0.00 S ATOM 0 H CYS A 62 0.716 3.756 6.996 1.00 0.00 H new ATOM 0 HA CYS A 62 -1.170 2.040 5.809 1.00 0.00 H new ATOM 0 HB2 CYS A 62 1.881 2.045 5.801 1.00 0.00 H new ATOM 0 HB3 CYS A 62 0.931 1.000 4.764 1.00 0.00 H new ATOM 896 N ASN A 63 0.836 0.484 7.940 1.00 0.00 N ATOM 897 CA ASN A 63 0.928 -0.754 8.757 1.00 0.00 C ATOM 898 C ASN A 63 0.586 -0.435 10.214 1.00 0.00 C ATOM 899 O ASN A 63 1.457 -0.290 11.048 1.00 0.00 O ATOM 900 CB ASN A 63 2.351 -1.311 8.678 1.00 0.00 C ATOM 901 CG ASN A 63 3.356 -0.177 8.885 1.00 0.00 C ATOM 902 OD1 ASN A 63 3.236 0.594 9.816 1.00 0.00 O ATOM 903 ND2 ASN A 63 4.349 -0.042 8.050 1.00 0.00 N ATOM 0 H ASN A 63 1.604 1.144 8.064 1.00 0.00 H new ATOM 0 HA ASN A 63 0.225 -1.493 8.374 1.00 0.00 H new ATOM 0 HB2 ASN A 63 2.494 -2.081 9.436 1.00 0.00 H new ATOM 0 HB3 ASN A 63 2.514 -1.784 7.709 1.00 0.00 H new ATOM 0 HD21 ASN A 63 5.025 0.711 8.179 1.00 0.00 H new ATOM 0 HD22 ASN A 63 4.450 -0.689 7.268 1.00 0.00 H new ATOM 910 N THR A 64 -0.676 -0.324 10.529 1.00 0.00 N ATOM 911 CA THR A 64 -1.067 -0.014 11.932 1.00 0.00 C ATOM 912 C THR A 64 -2.587 -0.113 12.082 1.00 0.00 C ATOM 913 O THR A 64 -3.303 0.844 11.865 1.00 0.00 O ATOM 914 CB THR A 64 -0.611 1.394 12.291 1.00 0.00 C ATOM 915 OG1 THR A 64 0.077 1.967 11.188 1.00 0.00 O ATOM 916 CG2 THR A 64 0.323 1.304 13.493 1.00 0.00 C ATOM 0 H THR A 64 -1.452 -0.435 9.876 1.00 0.00 H new ATOM 0 HA THR A 64 -0.593 -0.731 12.602 1.00 0.00 H new ATOM 0 HB THR A 64 -1.470 2.019 12.532 1.00 0.00 H new ATOM 0 HG1 THR A 64 0.634 2.711 11.500 1.00 0.00 H new ATOM 0 HG21 THR A 64 0.661 2.303 13.766 1.00 0.00 H new ATOM 0 HG22 THR A 64 -0.208 0.858 14.334 1.00 0.00 H new ATOM 0 HG23 THR A 64 1.184 0.686 13.239 1.00 0.00 H new ATOM 924 N TYR A 65 -3.084 -1.265 12.444 1.00 0.00 N ATOM 925 CA TYR A 65 -4.547 -1.428 12.599 1.00 0.00 C ATOM 926 C TYR A 65 -5.130 -0.277 13.433 1.00 0.00 C ATOM 927 O TYR A 65 -6.130 0.300 13.057 1.00 0.00 O ATOM 928 CB TYR A 65 -4.862 -2.769 13.272 1.00 0.00 C ATOM 929 CG TYR A 65 -6.291 -3.156 12.975 1.00 0.00 C ATOM 930 CD1 TYR A 65 -7.331 -2.658 13.771 1.00 0.00 C ATOM 931 CD2 TYR A 65 -6.575 -4.013 11.903 1.00 0.00 C ATOM 932 CE1 TYR A 65 -8.657 -3.018 13.494 1.00 0.00 C ATOM 933 CE2 TYR A 65 -7.901 -4.372 11.627 1.00 0.00 C ATOM 934 CZ TYR A 65 -8.942 -3.874 12.423 1.00 0.00 C ATOM 935 OH TYR A 65 -10.248 -4.228 12.151 1.00 0.00 O ATOM 0 H TYR A 65 -2.532 -2.100 12.639 1.00 0.00 H new ATOM 0 HA TYR A 65 -5.002 -1.411 11.609 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -4.182 -3.539 12.908 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -4.711 -2.692 14.349 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -7.111 -1.998 14.597 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -5.773 -4.396 11.290 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -9.459 -2.635 14.107 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -8.121 -5.032 10.801 1.00 0.00 H new ATOM 0 HH TYR A 65 -10.270 -4.826 11.375 1.00 0.00 H new ATOM 945 N PRO A 66 -4.496 0.027 14.543 1.00 0.00 N ATOM 946 CA PRO A 66 -4.955 1.107 15.435 1.00 0.00 C ATOM 947 C PRO A 66 -4.524 2.471 14.888 1.00 0.00 C ATOM 948 O PRO A 66 -4.333 2.572 13.686 1.00 0.00 O ATOM 949 CB PRO A 66 -4.251 0.804 16.760 1.00 0.00 C ATOM 950 CG PRO A 66 -3.017 -0.062 16.411 1.00 0.00 C ATOM 951 CD PRO A 66 -3.277 -0.664 15.018 1.00 0.00 C ATOM 952 OXT PRO A 66 -4.393 3.391 15.678 1.00 0.00 O ATOM 0 HA PRO A 66 -6.040 1.148 15.535 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -3.950 1.725 17.260 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -4.917 0.275 17.441 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -2.109 0.541 16.408 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -2.875 -0.849 17.152 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -2.435 -0.492 14.347 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -3.427 -1.742 15.072 1.00 0.00 H new TER 960 PRO A 66