USER MOD reduce.3.24.130724 H: found=0, std=0, add=536, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 534 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 NoAdj-H: A 58 HIS HD1 : A 58 HIS ND1 : A 200 ZNZN :(H bumps) USER MOD Set 1.1: A 42 GLN : amide:sc= 0 K(o=-1,f=-0.4) USER MOD Set 1.2: A 55 GLN : amide:sc= -1.01 K(o=-1,f=0) USER MOD Set 2.1: A 10 HIS : no HD1:sc= -0.731 K(o=-0.73,f=-2.1!) USER MOD Set 2.2: A 23 SER OG : rot 160:sc= 0 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -114:sc= 0.0659 (180deg=-0.0175) USER MOD Single : A 4 HIS : no HD1:sc= -0.63 K(o=-0.63,f=0.18) USER MOD Single : A 7 GLN : amide:sc= -0.116 K(o=-0.12,f=-0.67) USER MOD Single : A 9 GLN : amide:sc= 0 K(o=0,f=-0.53) USER MOD Single : A 14 GLN : amide:sc= -1.11 K(o=-1.1,f=-0.0076) USER MOD Single : A 16 ASN : amide:sc= 0 X(o=0,f=0.007) USER MOD Single : A 18 HIS : no HE2:sc= -0.425 K(o=-0.42,f=-1.9) USER MOD Single : A 30 MET CE :methyl -116:sc= -0.0885 (180deg=-2.55!) USER MOD Single : A 31 LYS NZ :NH3+ 161:sc= -0.119 (180deg=-0.57) USER MOD Single : A 38 HIS : no HD1:sc= 0.225 K(o=0.22,f=-4.7!) USER MOD Single : A 39 GLN : amide:sc= -1.62! C(o=-1.6!,f=-6.9!) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 CYS SG : rot 180:sc= 0.151 USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 HIS : no HD1:sc= -1.08 X(o=-1.1,f=-1) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ -121:sc= 0.804 (180deg=-1.1!) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 60.943 -9.927 12.590 1.00 0.00 N ATOM 2 CA MET A 1 61.681 -8.701 12.975 1.00 0.00 C ATOM 3 C MET A 1 60.859 -7.468 12.644 1.00 0.00 C ATOM 4 O MET A 1 59.962 -7.517 11.799 1.00 0.00 O ATOM 5 CB MET A 1 63.022 -8.616 12.234 1.00 0.00 C ATOM 6 CG MET A 1 64.049 -9.648 12.669 1.00 0.00 C ATOM 7 SD MET A 1 64.603 -9.410 14.370 1.00 0.00 S ATOM 8 CE MET A 1 65.839 -10.700 14.497 1.00 0.00 C ATOM 0 H1 MET A 1 60.700 -10.468 13.444 1.00 0.00 H new ATOM 0 H2 MET A 1 60.072 -9.664 12.087 1.00 0.00 H new ATOM 0 H3 MET A 1 61.539 -10.510 11.969 1.00 0.00 H new ATOM 0 HA MET A 1 61.866 -8.746 14.048 1.00 0.00 H new ATOM 0 HB2 MET A 1 62.840 -8.731 11.165 1.00 0.00 H new ATOM 0 HB3 MET A 1 63.441 -7.621 12.381 1.00 0.00 H new ATOM 0 HG2 MET A 1 63.621 -10.645 12.567 1.00 0.00 H new ATOM 0 HG3 MET A 1 64.910 -9.601 12.002 1.00 0.00 H new ATOM 0 HE1 MET A 1 66.278 -10.686 15.494 1.00 0.00 H new ATOM 0 HE2 MET A 1 65.373 -11.669 14.319 1.00 0.00 H new ATOM 0 HE3 MET A 1 66.619 -10.531 13.755 1.00 0.00 H new ATOM 18 N GLU A 2 61.156 -6.368 13.316 1.00 0.00 N ATOM 19 CA GLU A 2 60.541 -5.093 12.996 1.00 0.00 C ATOM 20 C GLU A 2 61.484 -4.278 12.122 1.00 0.00 C ATOM 21 O GLU A 2 62.702 -4.468 12.166 1.00 0.00 O ATOM 22 CB GLU A 2 60.173 -4.337 14.274 1.00 0.00 C ATOM 23 CG GLU A 2 59.133 -5.067 15.107 1.00 0.00 C ATOM 24 CD GLU A 2 58.755 -4.330 16.372 1.00 0.00 C ATOM 25 OE1 GLU A 2 59.462 -4.495 17.388 1.00 0.00 O ATOM 26 OE2 GLU A 2 57.734 -3.612 16.367 1.00 0.00 O ATOM 0 H GLU A 2 61.821 -6.334 14.088 1.00 0.00 H new ATOM 0 HA GLU A 2 59.618 -5.267 12.442 1.00 0.00 H new ATOM 0 HB2 GLU A 2 61.071 -4.185 14.873 1.00 0.00 H new ATOM 0 HB3 GLU A 2 59.794 -3.349 14.011 1.00 0.00 H new ATOM 0 HG2 GLU A 2 58.238 -5.222 14.504 1.00 0.00 H new ATOM 0 HG3 GLU A 2 59.515 -6.053 15.370 1.00 0.00 H new ATOM 33 N LEU A 3 60.923 -3.382 11.326 1.00 0.00 N ATOM 34 CA LEU A 3 61.698 -2.645 10.338 1.00 0.00 C ATOM 35 C LEU A 3 62.584 -1.595 10.992 1.00 0.00 C ATOM 36 O LEU A 3 62.215 -0.993 12.000 1.00 0.00 O ATOM 37 CB LEU A 3 60.764 -1.983 9.324 1.00 0.00 C ATOM 38 CG LEU A 3 59.860 -2.945 8.552 1.00 0.00 C ATOM 39 CD1 LEU A 3 58.966 -2.181 7.589 1.00 0.00 C ATOM 40 CD2 LEU A 3 60.694 -3.976 7.805 1.00 0.00 C ATOM 0 H LEU A 3 59.931 -3.146 11.344 1.00 0.00 H new ATOM 0 HA LEU A 3 62.345 -3.356 9.824 1.00 0.00 H new ATOM 0 HB2 LEU A 3 60.137 -1.261 9.848 1.00 0.00 H new ATOM 0 HB3 LEU A 3 61.367 -1.423 8.609 1.00 0.00 H new ATOM 0 HG LEU A 3 59.225 -3.469 9.266 1.00 0.00 H new ATOM 0 HD11 LEU A 3 58.330 -2.882 7.049 1.00 0.00 H new ATOM 0 HD12 LEU A 3 58.343 -1.482 8.147 1.00 0.00 H new ATOM 0 HD13 LEU A 3 59.583 -1.630 6.879 1.00 0.00 H new ATOM 0 HD21 LEU A 3 60.035 -4.652 7.261 1.00 0.00 H new ATOM 0 HD22 LEU A 3 61.354 -3.469 7.101 1.00 0.00 H new ATOM 0 HD23 LEU A 3 61.291 -4.546 8.517 1.00 0.00 H new ATOM 52 N HIS A 4 63.755 -1.381 10.409 1.00 0.00 N ATOM 53 CA HIS A 4 64.683 -0.374 10.900 1.00 0.00 C ATOM 54 C HIS A 4 64.818 0.742 9.871 1.00 0.00 C ATOM 55 O HIS A 4 64.570 0.533 8.686 1.00 0.00 O ATOM 56 CB HIS A 4 66.052 -0.994 11.203 1.00 0.00 C ATOM 57 CG HIS A 4 66.008 -2.063 12.255 1.00 0.00 C ATOM 58 ND1 HIS A 4 65.925 -3.405 11.958 1.00 0.00 N ATOM 59 CD2 HIS A 4 66.029 -1.982 13.606 1.00 0.00 C ATOM 60 CE1 HIS A 4 65.896 -4.103 13.077 1.00 0.00 C ATOM 61 NE2 HIS A 4 65.959 -3.264 14.092 1.00 0.00 N ATOM 0 H HIS A 4 64.085 -1.894 9.592 1.00 0.00 H new ATOM 0 HA HIS A 4 64.291 0.041 11.829 1.00 0.00 H new ATOM 0 HB2 HIS A 4 66.462 -1.416 10.285 1.00 0.00 H new ATOM 0 HB3 HIS A 4 66.735 -0.207 11.525 1.00 0.00 H new ATOM 0 HD2 HIS A 4 66.090 -1.077 14.192 1.00 0.00 H new ATOM 0 HE1 HIS A 4 65.832 -5.179 13.149 1.00 0.00 H new ATOM 0 HE2 HIS A 4 65.956 -3.525 15.078 1.00 0.00 H new ATOM 70 N CYS A 5 65.206 1.921 10.327 1.00 0.00 N ATOM 71 CA CYS A 5 65.257 3.097 9.464 1.00 0.00 C ATOM 72 C CYS A 5 66.481 3.070 8.557 1.00 0.00 C ATOM 73 O CYS A 5 67.487 2.438 8.879 1.00 0.00 O ATOM 74 CB CYS A 5 65.302 4.362 10.312 1.00 0.00 C ATOM 75 SG CYS A 5 64.123 4.382 11.678 1.00 0.00 S ATOM 0 H CYS A 5 65.491 2.093 11.291 1.00 0.00 H new ATOM 0 HA CYS A 5 64.361 3.089 8.843 1.00 0.00 H new ATOM 0 HB2 CYS A 5 66.308 4.480 10.714 1.00 0.00 H new ATOM 0 HB3 CYS A 5 65.112 5.222 9.671 1.00 0.00 H new ATOM 80 N PRO A 6 66.403 3.754 7.408 1.00 0.00 N ATOM 81 CA PRO A 6 67.552 3.939 6.524 1.00 0.00 C ATOM 82 C PRO A 6 68.594 4.867 7.150 1.00 0.00 C ATOM 83 O PRO A 6 69.770 4.518 7.253 1.00 0.00 O ATOM 84 CB PRO A 6 66.951 4.578 5.262 1.00 0.00 C ATOM 85 CG PRO A 6 65.473 4.409 5.387 1.00 0.00 C ATOM 86 CD PRO A 6 65.186 4.372 6.858 1.00 0.00 C ATOM 0 HA PRO A 6 68.071 3.002 6.322 1.00 0.00 H new ATOM 0 HB2 PRO A 6 67.220 5.632 5.191 1.00 0.00 H new ATOM 0 HB3 PRO A 6 67.326 4.092 4.361 1.00 0.00 H new ATOM 0 HG2 PRO A 6 64.944 5.232 4.907 1.00 0.00 H new ATOM 0 HG3 PRO A 6 65.142 3.491 4.901 1.00 0.00 H new ATOM 0 HD2 PRO A 6 65.020 5.370 7.264 1.00 0.00 H new ATOM 0 HD3 PRO A 6 64.296 3.784 7.083 1.00 0.00 H new ATOM 94 N GLN A 7 68.148 6.036 7.600 1.00 0.00 N ATOM 95 CA GLN A 7 69.058 7.033 8.153 1.00 0.00 C ATOM 96 C GLN A 7 69.067 6.984 9.683 1.00 0.00 C ATOM 97 O GLN A 7 70.051 6.562 10.290 1.00 0.00 O ATOM 98 CB GLN A 7 68.670 8.434 7.672 1.00 0.00 C ATOM 99 CG GLN A 7 69.723 9.486 7.979 1.00 0.00 C ATOM 100 CD GLN A 7 71.045 9.203 7.285 1.00 0.00 C ATOM 101 OE1 GLN A 7 71.083 8.631 6.195 1.00 0.00 O ATOM 102 NE2 GLN A 7 72.140 9.584 7.921 1.00 0.00 N ATOM 0 H GLN A 7 67.167 6.315 7.593 1.00 0.00 H new ATOM 0 HA GLN A 7 70.063 6.803 7.800 1.00 0.00 H new ATOM 0 HB2 GLN A 7 68.496 8.406 6.596 1.00 0.00 H new ATOM 0 HB3 GLN A 7 67.729 8.724 8.140 1.00 0.00 H new ATOM 0 HG2 GLN A 7 69.356 10.465 7.670 1.00 0.00 H new ATOM 0 HG3 GLN A 7 69.884 9.532 9.056 1.00 0.00 H new ATOM 0 HE21 GLN A 7 72.068 10.055 8.823 1.00 0.00 H new ATOM 0 HE22 GLN A 7 73.056 9.406 7.510 1.00 0.00 H new ATOM 111 N CYS A 8 67.962 7.392 10.301 1.00 0.00 N ATOM 112 CA CYS A 8 67.861 7.423 11.756 1.00 0.00 C ATOM 113 C CYS A 8 67.443 6.055 12.270 1.00 0.00 C ATOM 114 O CYS A 8 66.359 5.883 12.834 1.00 0.00 O ATOM 115 CB CYS A 8 66.871 8.502 12.213 1.00 0.00 C ATOM 116 SG CYS A 8 65.172 8.247 11.643 1.00 0.00 S ATOM 0 H CYS A 8 67.122 7.706 9.815 1.00 0.00 H new ATOM 0 HA CYS A 8 68.838 7.673 12.171 1.00 0.00 H new ATOM 0 HB2 CYS A 8 66.874 8.543 13.302 1.00 0.00 H new ATOM 0 HB3 CYS A 8 67.219 9.472 11.857 1.00 0.00 H new ATOM 121 N GLN A 9 68.302 5.086 12.005 1.00 0.00 N ATOM 122 CA GLN A 9 68.077 3.684 12.349 1.00 0.00 C ATOM 123 C GLN A 9 67.567 3.501 13.777 1.00 0.00 C ATOM 124 O GLN A 9 68.246 3.844 14.744 1.00 0.00 O ATOM 125 CB GLN A 9 69.373 2.897 12.171 1.00 0.00 C ATOM 126 CG GLN A 9 69.944 2.984 10.767 1.00 0.00 C ATOM 127 CD GLN A 9 71.265 2.261 10.627 1.00 0.00 C ATOM 128 OE1 GLN A 9 71.525 1.272 11.312 1.00 0.00 O ATOM 129 NE2 GLN A 9 72.106 2.751 9.731 1.00 0.00 N ATOM 0 H GLN A 9 69.193 5.250 11.536 1.00 0.00 H new ATOM 0 HA GLN A 9 67.305 3.310 11.676 1.00 0.00 H new ATOM 0 HB2 GLN A 9 70.114 3.267 12.880 1.00 0.00 H new ATOM 0 HB3 GLN A 9 69.191 1.851 12.417 1.00 0.00 H new ATOM 0 HG2 GLN A 9 69.228 2.563 10.061 1.00 0.00 H new ATOM 0 HG3 GLN A 9 70.078 4.032 10.498 1.00 0.00 H new ATOM 0 HE21 GLN A 9 71.848 3.573 9.185 1.00 0.00 H new ATOM 0 HE22 GLN A 9 73.012 2.306 9.586 1.00 0.00 H new ATOM 138 N HIS A 10 66.350 2.976 13.887 1.00 0.00 N ATOM 139 CA HIS A 10 65.793 2.573 15.169 1.00 0.00 C ATOM 140 C HIS A 10 64.608 1.640 14.933 1.00 0.00 C ATOM 141 O HIS A 10 64.767 0.425 14.904 1.00 0.00 O ATOM 142 CB HIS A 10 65.355 3.785 16.001 1.00 0.00 C ATOM 143 CG HIS A 10 65.281 3.503 17.473 1.00 0.00 C ATOM 144 ND1 HIS A 10 64.164 2.983 18.093 1.00 0.00 N ATOM 145 CD2 HIS A 10 66.206 3.665 18.449 1.00 0.00 C ATOM 146 CE1 HIS A 10 64.406 2.842 19.382 1.00 0.00 C ATOM 147 NE2 HIS A 10 65.636 3.246 19.624 1.00 0.00 N ATOM 0 H HIS A 10 65.728 2.820 13.094 1.00 0.00 H new ATOM 0 HA HIS A 10 66.568 2.053 15.732 1.00 0.00 H new ATOM 0 HB2 HIS A 10 66.053 4.605 15.830 1.00 0.00 H new ATOM 0 HB3 HIS A 10 64.378 4.121 15.653 1.00 0.00 H new ATOM 0 HD2 HIS A 10 67.207 4.052 18.325 1.00 0.00 H new ATOM 0 HE1 HIS A 10 63.712 2.459 20.116 1.00 0.00 H new ATOM 0 HE2 HIS A 10 66.091 3.247 20.537 1.00 0.00 H new ATOM 156 N VAL A 11 63.426 2.215 14.723 1.00 0.00 N ATOM 157 CA VAL A 11 62.216 1.429 14.488 1.00 0.00 C ATOM 158 C VAL A 11 61.321 2.118 13.459 1.00 0.00 C ATOM 159 O VAL A 11 61.059 3.320 13.558 1.00 0.00 O ATOM 160 CB VAL A 11 61.401 1.207 15.791 1.00 0.00 C ATOM 161 CG1 VAL A 11 60.109 0.451 15.506 1.00 0.00 C ATOM 162 CG2 VAL A 11 62.219 0.459 16.833 1.00 0.00 C ATOM 0 H VAL A 11 63.280 3.224 14.711 1.00 0.00 H new ATOM 0 HA VAL A 11 62.541 0.458 14.113 1.00 0.00 H new ATOM 0 HB VAL A 11 61.151 2.191 16.188 1.00 0.00 H new ATOM 0 HG11 VAL A 11 59.558 0.309 16.436 1.00 0.00 H new ATOM 0 HG12 VAL A 11 59.499 1.023 14.806 1.00 0.00 H new ATOM 0 HG13 VAL A 11 60.344 -0.521 15.072 1.00 0.00 H new ATOM 0 HG21 VAL A 11 61.621 0.319 17.733 1.00 0.00 H new ATOM 0 HG22 VAL A 11 62.511 -0.514 16.437 1.00 0.00 H new ATOM 0 HG23 VAL A 11 63.112 1.035 17.076 1.00 0.00 H new ATOM 172 N LEU A 12 60.879 1.355 12.466 1.00 0.00 N ATOM 173 CA LEU A 12 59.919 1.840 11.483 1.00 0.00 C ATOM 174 C LEU A 12 58.594 1.105 11.622 1.00 0.00 C ATOM 175 O LEU A 12 58.509 -0.098 11.372 1.00 0.00 O ATOM 176 CB LEU A 12 60.449 1.668 10.057 1.00 0.00 C ATOM 177 CG LEU A 12 61.498 2.688 9.619 1.00 0.00 C ATOM 178 CD1 LEU A 12 61.948 2.403 8.196 1.00 0.00 C ATOM 179 CD2 LEU A 12 60.941 4.098 9.724 1.00 0.00 C ATOM 0 H LEU A 12 61.174 0.389 12.320 1.00 0.00 H new ATOM 0 HA LEU A 12 59.765 2.902 11.672 1.00 0.00 H new ATOM 0 HB2 LEU A 12 60.877 0.670 9.965 1.00 0.00 H new ATOM 0 HB3 LEU A 12 59.607 1.719 9.366 1.00 0.00 H new ATOM 0 HG LEU A 12 62.360 2.606 10.280 1.00 0.00 H new ATOM 0 HD11 LEU A 12 62.696 3.138 7.897 1.00 0.00 H new ATOM 0 HD12 LEU A 12 62.380 1.404 8.144 1.00 0.00 H new ATOM 0 HD13 LEU A 12 61.091 2.463 7.525 1.00 0.00 H new ATOM 0 HD21 LEU A 12 61.700 4.814 9.408 1.00 0.00 H new ATOM 0 HD22 LEU A 12 60.065 4.192 9.082 1.00 0.00 H new ATOM 0 HD23 LEU A 12 60.658 4.301 10.757 1.00 0.00 H new ATOM 191 N ASP A 13 57.565 1.829 12.030 1.00 0.00 N ATOM 192 CA ASP A 13 56.237 1.252 12.155 1.00 0.00 C ATOM 193 C ASP A 13 55.474 1.429 10.854 1.00 0.00 C ATOM 194 O ASP A 13 55.028 2.532 10.529 1.00 0.00 O ATOM 195 CB ASP A 13 55.477 1.905 13.307 1.00 0.00 C ATOM 196 CG ASP A 13 54.070 1.361 13.463 1.00 0.00 C ATOM 197 OD1 ASP A 13 53.928 0.180 13.836 1.00 0.00 O ATOM 198 OD2 ASP A 13 53.102 2.119 13.230 1.00 0.00 O ATOM 0 H ASP A 13 57.624 2.816 12.280 1.00 0.00 H new ATOM 0 HA ASP A 13 56.335 0.187 12.368 1.00 0.00 H new ATOM 0 HB2 ASP A 13 56.027 1.749 14.235 1.00 0.00 H new ATOM 0 HB3 ASP A 13 55.430 2.981 13.142 1.00 0.00 H new ATOM 203 N GLN A 14 55.355 0.352 10.098 1.00 0.00 N ATOM 204 CA GLN A 14 54.673 0.394 8.817 1.00 0.00 C ATOM 205 C GLN A 14 53.433 -0.485 8.845 1.00 0.00 C ATOM 206 O GLN A 14 53.508 -1.667 9.176 1.00 0.00 O ATOM 207 CB GLN A 14 55.615 -0.051 7.694 1.00 0.00 C ATOM 208 CG GLN A 14 54.972 -0.032 6.316 1.00 0.00 C ATOM 209 CD GLN A 14 55.929 -0.431 5.210 1.00 0.00 C ATOM 210 OE1 GLN A 14 55.523 -1.005 4.203 1.00 0.00 O ATOM 211 NE2 GLN A 14 57.202 -0.125 5.385 1.00 0.00 N ATOM 0 H GLN A 14 55.723 -0.565 10.350 1.00 0.00 H new ATOM 0 HA GLN A 14 54.365 1.422 8.625 1.00 0.00 H new ATOM 0 HB2 GLN A 14 56.490 0.599 7.686 1.00 0.00 H new ATOM 0 HB3 GLN A 14 55.969 -1.060 7.907 1.00 0.00 H new ATOM 0 HG2 GLN A 14 54.117 -0.708 6.311 1.00 0.00 H new ATOM 0 HG3 GLN A 14 54.589 0.968 6.114 1.00 0.00 H new ATOM 0 HE21 GLN A 14 57.499 0.352 6.236 1.00 0.00 H new ATOM 0 HE22 GLN A 14 57.888 -0.366 4.669 1.00 0.00 H new ATOM 220 N ASP A 15 52.296 0.107 8.510 1.00 0.00 N ATOM 221 CA ASP A 15 51.033 -0.620 8.472 1.00 0.00 C ATOM 222 C ASP A 15 50.364 -0.439 7.119 1.00 0.00 C ATOM 223 O ASP A 15 50.302 -1.369 6.312 1.00 0.00 O ATOM 224 CB ASP A 15 50.100 -0.135 9.587 1.00 0.00 C ATOM 225 CG ASP A 15 48.747 -0.824 9.562 1.00 0.00 C ATOM 226 OD1 ASP A 15 47.845 -0.343 8.843 1.00 0.00 O ATOM 227 OD2 ASP A 15 48.576 -1.834 10.277 1.00 0.00 O ATOM 0 H ASP A 15 52.221 1.093 8.259 1.00 0.00 H new ATOM 0 HA ASP A 15 51.240 -1.679 8.627 1.00 0.00 H new ATOM 0 HB2 ASP A 15 50.574 -0.310 10.553 1.00 0.00 H new ATOM 0 HB3 ASP A 15 49.957 0.941 9.492 1.00 0.00 H new ATOM 232 N ASN A 16 49.886 0.772 6.863 1.00 0.00 N ATOM 233 CA ASN A 16 49.213 1.080 5.611 1.00 0.00 C ATOM 234 C ASN A 16 50.191 1.740 4.645 1.00 0.00 C ATOM 235 O ASN A 16 50.040 2.908 4.284 1.00 0.00 O ATOM 236 CB ASN A 16 48.006 1.993 5.872 1.00 0.00 C ATOM 237 CG ASN A 16 47.070 2.097 4.681 1.00 0.00 C ATOM 238 OD1 ASN A 16 47.188 2.997 3.850 1.00 0.00 O ATOM 239 ND2 ASN A 16 46.126 1.174 4.596 1.00 0.00 N ATOM 0 H ASN A 16 49.953 1.558 7.509 1.00 0.00 H new ATOM 0 HA ASN A 16 48.852 0.155 5.161 1.00 0.00 H new ATOM 0 HB2 ASN A 16 47.451 1.615 6.731 1.00 0.00 H new ATOM 0 HB3 ASN A 16 48.362 2.989 6.135 1.00 0.00 H new ATOM 0 HD21 ASN A 16 45.463 1.192 3.821 1.00 0.00 H new ATOM 0 HD22 ASN A 16 46.061 0.444 5.305 1.00 0.00 H new ATOM 246 N GLY A 17 51.233 0.998 4.281 1.00 0.00 N ATOM 247 CA GLY A 17 52.230 1.498 3.345 1.00 0.00 C ATOM 248 C GLY A 17 53.195 2.489 3.976 1.00 0.00 C ATOM 249 O GLY A 17 54.395 2.456 3.715 1.00 0.00 O ATOM 0 H GLY A 17 51.407 0.052 4.620 1.00 0.00 H new ATOM 0 HA2 GLY A 17 52.794 0.658 2.941 1.00 0.00 H new ATOM 0 HA3 GLY A 17 51.725 1.976 2.506 1.00 0.00 H new ATOM 253 N HIS A 18 52.666 3.371 4.810 1.00 0.00 N ATOM 254 CA HIS A 18 53.465 4.406 5.448 1.00 0.00 C ATOM 255 C HIS A 18 54.202 3.860 6.659 1.00 0.00 C ATOM 256 O HIS A 18 53.658 3.054 7.416 1.00 0.00 O ATOM 257 CB HIS A 18 52.581 5.578 5.879 1.00 0.00 C ATOM 258 CG HIS A 18 51.896 6.263 4.741 1.00 0.00 C ATOM 259 ND1 HIS A 18 50.526 6.326 4.609 1.00 0.00 N ATOM 260 CD2 HIS A 18 52.406 6.934 3.686 1.00 0.00 C ATOM 261 CE1 HIS A 18 50.222 7.007 3.518 1.00 0.00 C ATOM 262 NE2 HIS A 18 51.348 7.388 2.939 1.00 0.00 N ATOM 0 H HIS A 18 51.678 3.390 5.062 1.00 0.00 H new ATOM 0 HA HIS A 18 54.196 4.753 4.718 1.00 0.00 H new ATOM 0 HB2 HIS A 18 51.829 5.216 6.580 1.00 0.00 H new ATOM 0 HB3 HIS A 18 53.192 6.305 6.415 1.00 0.00 H new ATOM 0 HD1 HIS A 18 49.852 5.912 5.253 1.00 0.00 H new ATOM 0 HD2 HIS A 18 53.453 7.085 3.470 1.00 0.00 H new ATOM 0 HE1 HIS A 18 49.225 7.216 3.161 1.00 0.00 H new ATOM 271 N ALA A 19 55.439 4.303 6.831 1.00 0.00 N ATOM 272 CA ALA A 19 56.233 3.933 7.990 1.00 0.00 C ATOM 273 C ALA A 19 56.564 5.165 8.809 1.00 0.00 C ATOM 274 O ALA A 19 57.071 6.154 8.277 1.00 0.00 O ATOM 275 CB ALA A 19 57.515 3.233 7.571 1.00 0.00 C ATOM 0 H ALA A 19 55.916 4.923 6.177 1.00 0.00 H new ATOM 0 HA ALA A 19 55.647 3.243 8.597 1.00 0.00 H new ATOM 0 HB1 ALA A 19 58.091 2.967 8.457 1.00 0.00 H new ATOM 0 HB2 ALA A 19 57.270 2.330 7.012 1.00 0.00 H new ATOM 0 HB3 ALA A 19 58.105 3.900 6.942 1.00 0.00 H new ATOM 281 N ARG A 20 56.264 5.120 10.092 1.00 0.00 N ATOM 282 CA ARG A 20 56.589 6.223 10.970 1.00 0.00 C ATOM 283 C ARG A 20 57.481 5.748 12.100 1.00 0.00 C ATOM 284 O ARG A 20 57.286 4.667 12.659 1.00 0.00 O ATOM 285 CB ARG A 20 55.328 6.879 11.537 1.00 0.00 C ATOM 286 CG ARG A 20 55.615 8.168 12.292 1.00 0.00 C ATOM 287 CD ARG A 20 54.347 8.798 12.837 1.00 0.00 C ATOM 288 NE ARG A 20 54.603 10.117 13.419 1.00 0.00 N ATOM 289 CZ ARG A 20 53.669 10.868 13.996 1.00 0.00 C ATOM 290 NH1 ARG A 20 52.427 10.421 14.107 1.00 0.00 N ATOM 291 NH2 ARG A 20 53.983 12.069 14.464 1.00 0.00 N ATOM 0 H ARG A 20 55.798 4.335 10.547 1.00 0.00 H new ATOM 0 HA ARG A 20 57.121 6.971 10.382 1.00 0.00 H new ATOM 0 HB2 ARG A 20 54.636 7.089 10.721 1.00 0.00 H new ATOM 0 HB3 ARG A 20 54.829 6.177 12.205 1.00 0.00 H new ATOM 0 HG2 ARG A 20 56.301 7.962 13.114 1.00 0.00 H new ATOM 0 HG3 ARG A 20 56.115 8.874 11.629 1.00 0.00 H new ATOM 0 HD2 ARG A 20 53.613 8.890 12.036 1.00 0.00 H new ATOM 0 HD3 ARG A 20 53.913 8.145 13.594 1.00 0.00 H new ATOM 0 HE ARG A 20 55.555 10.482 13.380 1.00 0.00 H new ATOM 0 HH11 ARG A 20 52.184 9.497 13.749 1.00 0.00 H new ATOM 0 HH12 ARG A 20 51.714 11.000 14.550 1.00 0.00 H new ATOM 0 HH21 ARG A 20 54.939 12.415 14.381 1.00 0.00 H new ATOM 0 HH22 ARG A 20 53.268 12.647 14.907 1.00 0.00 H new ATOM 305 N CYS A 21 58.482 6.544 12.402 1.00 0.00 N ATOM 306 CA CYS A 21 59.379 6.259 13.500 1.00 0.00 C ATOM 307 C CYS A 21 58.759 6.640 14.830 1.00 0.00 C ATOM 308 O CYS A 21 58.726 7.815 15.197 1.00 0.00 O ATOM 309 CB CYS A 21 60.674 7.019 13.312 1.00 0.00 C ATOM 310 SG CYS A 21 61.434 6.745 11.704 1.00 0.00 S ATOM 0 H CYS A 21 58.697 7.403 11.896 1.00 0.00 H new ATOM 0 HA CYS A 21 59.575 5.187 13.507 1.00 0.00 H new ATOM 0 HB2 CYS A 21 60.483 8.085 13.439 1.00 0.00 H new ATOM 0 HB3 CYS A 21 61.376 6.725 14.093 1.00 0.00 H new ATOM 315 N ARG A 22 58.291 5.635 15.548 1.00 0.00 N ATOM 316 CA ARG A 22 57.719 5.818 16.878 1.00 0.00 C ATOM 317 C ARG A 22 58.824 6.035 17.918 1.00 0.00 C ATOM 318 O ARG A 22 58.787 5.470 19.012 1.00 0.00 O ATOM 319 CB ARG A 22 56.866 4.592 17.225 1.00 0.00 C ATOM 320 CG ARG A 22 57.613 3.273 17.078 1.00 0.00 C ATOM 321 CD ARG A 22 56.665 2.105 16.849 1.00 0.00 C ATOM 322 NE ARG A 22 55.792 1.846 17.993 1.00 0.00 N ATOM 323 CZ ARG A 22 54.560 1.343 17.885 1.00 0.00 C ATOM 324 NH1 ARG A 22 54.030 1.123 16.690 1.00 0.00 N ATOM 325 NH2 ARG A 22 53.853 1.079 18.972 1.00 0.00 N ATOM 0 H ARG A 22 58.295 4.666 15.229 1.00 0.00 H new ATOM 0 HA ARG A 22 57.088 6.707 16.886 1.00 0.00 H new ATOM 0 HB2 ARG A 22 56.509 4.686 18.250 1.00 0.00 H new ATOM 0 HB3 ARG A 22 55.987 4.577 16.581 1.00 0.00 H new ATOM 0 HG2 ARG A 22 58.311 3.342 16.244 1.00 0.00 H new ATOM 0 HG3 ARG A 22 58.205 3.089 17.975 1.00 0.00 H new ATOM 0 HD2 ARG A 22 56.053 2.308 15.970 1.00 0.00 H new ATOM 0 HD3 ARG A 22 57.247 1.209 16.632 1.00 0.00 H new ATOM 0 HE ARG A 22 56.144 2.062 18.926 1.00 0.00 H new ATOM 0 HH11 ARG A 22 54.564 1.338 15.848 1.00 0.00 H new ATOM 0 HH12 ARG A 22 53.088 0.739 16.613 1.00 0.00 H new ATOM 0 HH21 ARG A 22 54.249 1.260 19.894 1.00 0.00 H new ATOM 0 HH22 ARG A 22 52.912 0.695 18.887 1.00 0.00 H new ATOM 339 N SER A 23 59.793 6.880 17.567 1.00 0.00 N ATOM 340 CA SER A 23 60.947 7.142 18.417 1.00 0.00 C ATOM 341 C SER A 23 61.817 8.254 17.820 1.00 0.00 C ATOM 342 O SER A 23 62.038 9.288 18.452 1.00 0.00 O ATOM 343 CB SER A 23 61.779 5.863 18.596 1.00 0.00 C ATOM 344 OG SER A 23 62.855 6.070 19.494 1.00 0.00 O ATOM 0 H SER A 23 59.798 7.399 16.689 1.00 0.00 H new ATOM 0 HA SER A 23 60.586 7.469 19.392 1.00 0.00 H new ATOM 0 HB2 SER A 23 61.141 5.061 18.968 1.00 0.00 H new ATOM 0 HB3 SER A 23 62.166 5.540 17.630 1.00 0.00 H new ATOM 0 HG SER A 23 63.165 5.206 19.838 1.00 0.00 H new ATOM 350 N CYS A 24 62.294 8.041 16.596 1.00 0.00 N ATOM 351 CA CYS A 24 63.233 8.971 15.972 1.00 0.00 C ATOM 352 C CYS A 24 62.533 10.070 15.160 1.00 0.00 C ATOM 353 O CYS A 24 63.192 10.868 14.494 1.00 0.00 O ATOM 354 CB CYS A 24 64.256 8.209 15.110 1.00 0.00 C ATOM 355 SG CYS A 24 63.681 6.623 14.439 1.00 0.00 S ATOM 0 H CYS A 24 62.048 7.237 16.019 1.00 0.00 H new ATOM 0 HA CYS A 24 63.762 9.478 16.779 1.00 0.00 H new ATOM 0 HB2 CYS A 24 64.554 8.849 14.279 1.00 0.00 H new ATOM 0 HB3 CYS A 24 65.148 8.028 15.710 1.00 0.00 H new ATOM 360 N GLY A 25 61.201 10.105 15.197 1.00 0.00 N ATOM 361 CA GLY A 25 60.466 11.218 14.603 1.00 0.00 C ATOM 362 C GLY A 25 60.237 11.086 13.105 1.00 0.00 C ATOM 363 O GLY A 25 59.166 11.435 12.609 1.00 0.00 O ATOM 0 H GLY A 25 60.617 9.387 15.625 1.00 0.00 H new ATOM 0 HA2 GLY A 25 59.500 11.307 15.100 1.00 0.00 H new ATOM 0 HA3 GLY A 25 61.011 12.142 14.796 1.00 0.00 H new ATOM 367 N GLU A 26 61.254 10.599 12.404 1.00 0.00 N ATOM 368 CA GLU A 26 61.208 10.391 10.951 1.00 0.00 C ATOM 369 C GLU A 26 59.883 9.758 10.503 1.00 0.00 C ATOM 370 O GLU A 26 59.424 8.763 11.066 1.00 0.00 O ATOM 371 CB GLU A 26 62.406 9.513 10.560 1.00 0.00 C ATOM 372 CG GLU A 26 62.295 8.768 9.230 1.00 0.00 C ATOM 373 CD GLU A 26 63.362 7.686 9.090 1.00 0.00 C ATOM 374 OE1 GLU A 26 63.520 6.861 10.041 1.00 0.00 O ATOM 375 OE2 GLU A 26 64.052 7.650 8.057 1.00 0.00 O ATOM 0 H GLU A 26 62.144 10.333 12.826 1.00 0.00 H new ATOM 0 HA GLU A 26 61.267 11.354 10.444 1.00 0.00 H new ATOM 0 HB2 GLU A 26 63.295 10.143 10.526 1.00 0.00 H new ATOM 0 HB3 GLU A 26 62.565 8.780 11.351 1.00 0.00 H new ATOM 0 HG2 GLU A 26 61.307 8.315 9.150 1.00 0.00 H new ATOM 0 HG3 GLU A 26 62.388 9.478 8.408 1.00 0.00 H new ATOM 382 N PHE A 27 59.254 10.373 9.511 1.00 0.00 N ATOM 383 CA PHE A 27 58.006 9.864 8.958 1.00 0.00 C ATOM 384 C PHE A 27 58.156 9.686 7.451 1.00 0.00 C ATOM 385 O PHE A 27 58.364 10.650 6.710 1.00 0.00 O ATOM 386 CB PHE A 27 56.827 10.797 9.301 1.00 0.00 C ATOM 387 CG PHE A 27 56.963 12.208 8.786 1.00 0.00 C ATOM 388 CD1 PHE A 27 57.848 13.097 9.376 1.00 0.00 C ATOM 389 CD2 PHE A 27 56.202 12.643 7.713 1.00 0.00 C ATOM 390 CE1 PHE A 27 57.969 14.390 8.904 1.00 0.00 C ATOM 391 CE2 PHE A 27 56.320 13.935 7.238 1.00 0.00 C ATOM 392 CZ PHE A 27 57.205 14.808 7.836 1.00 0.00 C ATOM 0 H PHE A 27 59.590 11.230 9.071 1.00 0.00 H new ATOM 0 HA PHE A 27 57.786 8.895 9.405 1.00 0.00 H new ATOM 0 HB2 PHE A 27 55.911 10.365 8.897 1.00 0.00 H new ATOM 0 HB3 PHE A 27 56.713 10.831 10.384 1.00 0.00 H new ATOM 0 HD1 PHE A 27 58.449 12.776 10.214 1.00 0.00 H new ATOM 0 HD2 PHE A 27 55.508 11.963 7.242 1.00 0.00 H new ATOM 0 HE1 PHE A 27 58.662 15.073 9.372 1.00 0.00 H new ATOM 0 HE2 PHE A 27 55.721 14.261 6.401 1.00 0.00 H new ATOM 0 HZ PHE A 27 57.299 15.819 7.467 1.00 0.00 H new ATOM 402 N ILE A 28 58.068 8.449 6.999 1.00 0.00 N ATOM 403 CA ILE A 28 58.378 8.135 5.616 1.00 0.00 C ATOM 404 C ILE A 28 57.121 7.927 4.782 1.00 0.00 C ATOM 405 O ILE A 28 56.225 7.161 5.149 1.00 0.00 O ATOM 406 CB ILE A 28 59.270 6.881 5.510 1.00 0.00 C ATOM 407 CG1 ILE A 28 60.484 7.010 6.431 1.00 0.00 C ATOM 408 CG2 ILE A 28 59.721 6.681 4.069 1.00 0.00 C ATOM 409 CD1 ILE A 28 61.378 5.789 6.430 1.00 0.00 C ATOM 0 H ILE A 28 57.786 7.649 7.565 1.00 0.00 H new ATOM 0 HA ILE A 28 58.919 8.995 5.221 1.00 0.00 H new ATOM 0 HB ILE A 28 58.690 6.013 5.822 1.00 0.00 H new ATOM 0 HG12 ILE A 28 61.069 7.878 6.128 1.00 0.00 H new ATOM 0 HG13 ILE A 28 60.140 7.197 7.448 1.00 0.00 H new ATOM 0 HG21 ILE A 28 60.350 5.793 4.005 1.00 0.00 H new ATOM 0 HG22 ILE A 28 58.848 6.554 3.429 1.00 0.00 H new ATOM 0 HG23 ILE A 28 60.288 7.552 3.741 1.00 0.00 H new ATOM 0 HD11 ILE A 28 62.218 5.952 7.105 1.00 0.00 H new ATOM 0 HD12 ILE A 28 60.809 4.921 6.762 1.00 0.00 H new ATOM 0 HD13 ILE A 28 61.752 5.613 5.422 1.00 0.00 H new ATOM 421 N GLU A 29 57.063 8.628 3.663 1.00 0.00 N ATOM 422 CA GLU A 29 56.028 8.413 2.670 1.00 0.00 C ATOM 423 C GLU A 29 56.518 7.369 1.674 1.00 0.00 C ATOM 424 O GLU A 29 57.347 7.657 0.807 1.00 0.00 O ATOM 425 CB GLU A 29 55.680 9.734 1.966 1.00 0.00 C ATOM 426 CG GLU A 29 54.778 9.594 0.743 1.00 0.00 C ATOM 427 CD GLU A 29 53.438 8.960 1.046 1.00 0.00 C ATOM 428 OE1 GLU A 29 52.562 9.637 1.619 1.00 0.00 O ATOM 429 OE2 GLU A 29 53.238 7.787 0.687 1.00 0.00 O ATOM 0 H GLU A 29 57.730 9.360 3.419 1.00 0.00 H new ATOM 0 HA GLU A 29 55.119 8.050 3.150 1.00 0.00 H new ATOM 0 HB2 GLU A 29 55.193 10.394 2.684 1.00 0.00 H new ATOM 0 HB3 GLU A 29 56.606 10.221 1.662 1.00 0.00 H new ATOM 0 HG2 GLU A 29 54.614 10.580 0.309 1.00 0.00 H new ATOM 0 HG3 GLU A 29 55.291 8.996 -0.010 1.00 0.00 H new ATOM 436 N MET A 30 56.052 6.144 1.837 1.00 0.00 N ATOM 437 CA MET A 30 56.450 5.062 0.956 1.00 0.00 C ATOM 438 C MET A 30 55.350 4.801 -0.060 1.00 0.00 C ATOM 439 O MET A 30 54.202 4.539 0.299 1.00 0.00 O ATOM 440 CB MET A 30 56.772 3.797 1.755 1.00 0.00 C ATOM 441 CG MET A 30 57.818 4.024 2.835 1.00 0.00 C ATOM 442 SD MET A 30 58.285 2.520 3.715 1.00 0.00 S ATOM 443 CE MET A 30 59.141 1.619 2.425 1.00 0.00 C ATOM 0 H MET A 30 55.398 5.874 2.571 1.00 0.00 H new ATOM 0 HA MET A 30 57.357 5.353 0.425 1.00 0.00 H new ATOM 0 HB2 MET A 30 55.858 3.423 2.216 1.00 0.00 H new ATOM 0 HB3 MET A 30 57.125 3.023 1.073 1.00 0.00 H new ATOM 0 HG2 MET A 30 58.708 4.461 2.381 1.00 0.00 H new ATOM 0 HG3 MET A 30 57.436 4.751 3.552 1.00 0.00 H new ATOM 0 HE1 MET A 30 58.596 0.703 2.198 1.00 0.00 H new ATOM 0 HE2 MET A 30 59.202 2.237 1.529 1.00 0.00 H new ATOM 0 HE3 MET A 30 60.147 1.368 2.762 1.00 0.00 H new ATOM 453 N LYS A 31 55.706 4.891 -1.326 1.00 0.00 N ATOM 454 CA LYS A 31 54.731 4.830 -2.398 1.00 0.00 C ATOM 455 C LYS A 31 54.556 3.403 -2.894 1.00 0.00 C ATOM 456 O LYS A 31 55.535 2.708 -3.166 1.00 0.00 O ATOM 457 CB LYS A 31 55.158 5.748 -3.545 1.00 0.00 C ATOM 458 CG LYS A 31 55.513 7.154 -3.088 1.00 0.00 C ATOM 459 CD LYS A 31 55.634 8.110 -4.261 1.00 0.00 C ATOM 460 CE LYS A 31 54.276 8.396 -4.883 1.00 0.00 C ATOM 461 NZ LYS A 31 53.344 9.022 -3.909 1.00 0.00 N ATOM 0 H LYS A 31 56.670 5.007 -1.639 1.00 0.00 H new ATOM 0 HA LYS A 31 53.770 5.170 -2.011 1.00 0.00 H new ATOM 0 HB2 LYS A 31 56.018 5.310 -4.051 1.00 0.00 H new ATOM 0 HB3 LYS A 31 54.352 5.804 -4.276 1.00 0.00 H new ATOM 0 HG2 LYS A 31 54.750 7.517 -2.400 1.00 0.00 H new ATOM 0 HG3 LYS A 31 56.454 7.132 -2.538 1.00 0.00 H new ATOM 0 HD2 LYS A 31 56.087 9.043 -3.927 1.00 0.00 H new ATOM 0 HD3 LYS A 31 56.298 7.684 -5.013 1.00 0.00 H new ATOM 0 HE2 LYS A 31 54.401 9.055 -5.742 1.00 0.00 H new ATOM 0 HE3 LYS A 31 53.843 7.467 -5.255 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 52.569 9.489 -4.421 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 52.953 8.290 -3.283 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 53.857 9.726 -3.341 1.00 0.00 H new ATOM 475 N ALA A 32 53.305 2.978 -3.004 1.00 0.00 N ATOM 476 CA ALA A 32 52.983 1.635 -3.461 1.00 0.00 C ATOM 477 C ALA A 32 53.017 1.552 -4.981 1.00 0.00 C ATOM 478 O ALA A 32 52.131 2.066 -5.664 1.00 0.00 O ATOM 479 CB ALA A 32 51.620 1.214 -2.939 1.00 0.00 C ATOM 0 H ALA A 32 52.491 3.550 -2.781 1.00 0.00 H new ATOM 0 HA ALA A 32 53.737 0.953 -3.068 1.00 0.00 H new ATOM 0 HB1 ALA A 32 51.392 0.207 -3.289 1.00 0.00 H new ATOM 0 HB2 ALA A 32 51.628 1.227 -1.849 1.00 0.00 H new ATOM 0 HB3 ALA A 32 50.861 1.906 -3.304 1.00 0.00 H new ATOM 485 N LEU A 33 54.051 0.918 -5.501 1.00 0.00 N ATOM 486 CA LEU A 33 54.187 0.714 -6.932 1.00 0.00 C ATOM 487 C LEU A 33 54.154 -0.774 -7.243 1.00 0.00 C ATOM 488 O LEU A 33 54.219 -1.608 -6.338 1.00 0.00 O ATOM 489 CB LEU A 33 55.497 1.320 -7.447 1.00 0.00 C ATOM 490 CG LEU A 33 55.667 2.826 -7.216 1.00 0.00 C ATOM 491 CD1 LEU A 33 56.996 3.303 -7.780 1.00 0.00 C ATOM 492 CD2 LEU A 33 54.517 3.601 -7.839 1.00 0.00 C ATOM 0 H LEU A 33 54.816 0.532 -4.948 1.00 0.00 H new ATOM 0 HA LEU A 33 53.356 1.211 -7.432 1.00 0.00 H new ATOM 0 HB2 LEU A 33 56.328 0.801 -6.970 1.00 0.00 H new ATOM 0 HB3 LEU A 33 55.571 1.124 -8.517 1.00 0.00 H new ATOM 0 HG LEU A 33 55.659 3.009 -6.142 1.00 0.00 H new ATOM 0 HD11 LEU A 33 57.101 4.374 -7.608 1.00 0.00 H new ATOM 0 HD12 LEU A 33 57.811 2.774 -7.286 1.00 0.00 H new ATOM 0 HD13 LEU A 33 57.030 3.103 -8.851 1.00 0.00 H new ATOM 0 HD21 LEU A 33 54.659 4.667 -7.662 1.00 0.00 H new ATOM 0 HD22 LEU A 33 54.489 3.411 -8.912 1.00 0.00 H new ATOM 0 HD23 LEU A 33 53.577 3.281 -7.390 1.00 0.00 H new ATOM 504 N CYS A 34 54.044 -1.107 -8.514 1.00 0.00 N ATOM 505 CA CYS A 34 54.047 -2.496 -8.926 1.00 0.00 C ATOM 506 C CYS A 34 55.482 -3.017 -8.975 1.00 0.00 C ATOM 507 O CYS A 34 56.362 -2.359 -9.525 1.00 0.00 O ATOM 508 CB CYS A 34 53.380 -2.640 -10.294 1.00 0.00 C ATOM 509 SG CYS A 34 52.923 -4.337 -10.727 1.00 0.00 S ATOM 0 H CYS A 34 53.952 -0.437 -9.277 1.00 0.00 H new ATOM 0 HA CYS A 34 53.483 -3.085 -8.203 1.00 0.00 H new ATOM 0 HB2 CYS A 34 52.485 -2.019 -10.316 1.00 0.00 H new ATOM 0 HB3 CYS A 34 54.055 -2.252 -11.057 1.00 0.00 H new ATOM 514 N PRO A 35 55.736 -4.197 -8.394 1.00 0.00 N ATOM 515 CA PRO A 35 57.082 -4.789 -8.342 1.00 0.00 C ATOM 516 C PRO A 35 57.678 -5.025 -9.729 1.00 0.00 C ATOM 517 O PRO A 35 58.871 -4.813 -9.953 1.00 0.00 O ATOM 518 CB PRO A 35 56.862 -6.129 -7.630 1.00 0.00 C ATOM 519 CG PRO A 35 55.400 -6.398 -7.746 1.00 0.00 C ATOM 520 CD PRO A 35 54.740 -5.054 -7.734 1.00 0.00 C ATOM 0 HA PRO A 35 57.787 -4.129 -7.837 1.00 0.00 H new ATOM 0 HB2 PRO A 35 57.447 -6.923 -8.095 1.00 0.00 H new ATOM 0 HB3 PRO A 35 57.171 -6.076 -6.586 1.00 0.00 H new ATOM 0 HG2 PRO A 35 55.173 -6.938 -8.665 1.00 0.00 H new ATOM 0 HG3 PRO A 35 55.048 -7.015 -6.919 1.00 0.00 H new ATOM 0 HD2 PRO A 35 53.793 -5.063 -8.274 1.00 0.00 H new ATOM 0 HD3 PRO A 35 54.525 -4.718 -6.720 1.00 0.00 H new ATOM 528 N ASP A 36 56.832 -5.455 -10.655 1.00 0.00 N ATOM 529 CA ASP A 36 57.268 -5.781 -12.008 1.00 0.00 C ATOM 530 C ASP A 36 57.478 -4.528 -12.865 1.00 0.00 C ATOM 531 O ASP A 36 58.605 -4.065 -13.031 1.00 0.00 O ATOM 532 CB ASP A 36 56.267 -6.739 -12.677 1.00 0.00 C ATOM 533 CG ASP A 36 54.818 -6.408 -12.361 1.00 0.00 C ATOM 534 OD1 ASP A 36 54.295 -5.395 -12.879 1.00 0.00 O ATOM 535 OD2 ASP A 36 54.183 -7.148 -11.599 1.00 0.00 O ATOM 0 H ASP A 36 55.834 -5.587 -10.493 1.00 0.00 H new ATOM 0 HA ASP A 36 58.234 -6.279 -11.929 1.00 0.00 H new ATOM 0 HB2 ASP A 36 56.412 -6.710 -13.757 1.00 0.00 H new ATOM 0 HB3 ASP A 36 56.479 -7.758 -12.354 1.00 0.00 H new ATOM 540 N CYS A 37 56.390 -3.975 -13.385 1.00 0.00 N ATOM 541 CA CYS A 37 56.448 -2.845 -14.307 1.00 0.00 C ATOM 542 C CYS A 37 56.863 -1.550 -13.610 1.00 0.00 C ATOM 543 O CYS A 37 57.255 -0.587 -14.267 1.00 0.00 O ATOM 544 CB CYS A 37 55.092 -2.673 -15.008 1.00 0.00 C ATOM 545 SG CYS A 37 53.642 -2.874 -13.927 1.00 0.00 S ATOM 0 H CYS A 37 55.443 -4.295 -13.181 1.00 0.00 H new ATOM 0 HA CYS A 37 57.214 -3.063 -15.051 1.00 0.00 H new ATOM 0 HB2 CYS A 37 55.056 -1.682 -15.460 1.00 0.00 H new ATOM 0 HB3 CYS A 37 55.025 -3.396 -15.821 1.00 0.00 H new ATOM 550 N HIS A 38 56.774 -1.538 -12.279 1.00 0.00 N ATOM 551 CA HIS A 38 57.136 -0.366 -11.471 1.00 0.00 C ATOM 552 C HIS A 38 56.261 0.843 -11.781 1.00 0.00 C ATOM 553 O HIS A 38 56.591 1.968 -11.409 1.00 0.00 O ATOM 554 CB HIS A 38 58.617 -0.013 -11.633 1.00 0.00 C ATOM 555 CG HIS A 38 59.513 -0.833 -10.759 1.00 0.00 C ATOM 556 ND1 HIS A 38 60.403 -1.766 -11.243 1.00 0.00 N ATOM 557 CD2 HIS A 38 59.649 -0.853 -9.412 1.00 0.00 C ATOM 558 CE1 HIS A 38 61.044 -2.325 -10.233 1.00 0.00 C ATOM 559 NE2 HIS A 38 60.606 -1.788 -9.109 1.00 0.00 N ATOM 0 H HIS A 38 56.451 -2.335 -11.730 1.00 0.00 H new ATOM 0 HA HIS A 38 56.958 -0.639 -10.431 1.00 0.00 H new ATOM 0 HB2 HIS A 38 58.906 -0.154 -12.674 1.00 0.00 H new ATOM 0 HB3 HIS A 38 58.760 1.043 -11.402 1.00 0.00 H new ATOM 0 HD2 HIS A 38 59.104 -0.244 -8.706 1.00 0.00 H new ATOM 0 HE1 HIS A 38 61.800 -3.093 -10.313 1.00 0.00 H new ATOM 0 HE2 HIS A 38 60.926 -2.029 -8.171 1.00 0.00 H new ATOM 568 N GLN A 39 55.140 0.602 -12.444 1.00 0.00 N ATOM 569 CA GLN A 39 54.162 1.649 -12.687 1.00 0.00 C ATOM 570 C GLN A 39 53.239 1.772 -11.481 1.00 0.00 C ATOM 571 O GLN A 39 53.007 0.783 -10.774 1.00 0.00 O ATOM 572 CB GLN A 39 53.348 1.349 -13.950 1.00 0.00 C ATOM 573 CG GLN A 39 54.153 1.415 -15.243 1.00 0.00 C ATOM 574 CD GLN A 39 54.637 2.819 -15.573 1.00 0.00 C ATOM 575 OE1 GLN A 39 54.892 3.634 -14.687 1.00 0.00 O ATOM 576 NE2 GLN A 39 54.749 3.121 -16.856 1.00 0.00 N ATOM 0 H GLN A 39 54.886 -0.310 -12.823 1.00 0.00 H new ATOM 0 HA GLN A 39 54.686 2.593 -12.839 1.00 0.00 H new ATOM 0 HB2 GLN A 39 52.910 0.355 -13.859 1.00 0.00 H new ATOM 0 HB3 GLN A 39 52.522 2.057 -14.013 1.00 0.00 H new ATOM 0 HG2 GLN A 39 55.013 0.750 -15.163 1.00 0.00 H new ATOM 0 HG3 GLN A 39 53.540 1.046 -16.065 1.00 0.00 H new ATOM 0 HE21 GLN A 39 54.530 2.422 -17.566 1.00 0.00 H new ATOM 0 HE22 GLN A 39 55.055 4.053 -17.136 1.00 0.00 H new ATOM 585 N PRO A 40 52.723 2.982 -11.216 1.00 0.00 N ATOM 586 CA PRO A 40 51.819 3.233 -10.090 1.00 0.00 C ATOM 587 C PRO A 40 50.590 2.331 -10.114 1.00 0.00 C ATOM 588 O PRO A 40 49.956 2.152 -11.159 1.00 0.00 O ATOM 589 CB PRO A 40 51.405 4.694 -10.275 1.00 0.00 C ATOM 590 CG PRO A 40 52.496 5.301 -11.086 1.00 0.00 C ATOM 591 CD PRO A 40 52.990 4.206 -11.989 1.00 0.00 C ATOM 0 HA PRO A 40 52.304 3.030 -9.135 1.00 0.00 H new ATOM 0 HB2 PRO A 40 50.444 4.771 -10.784 1.00 0.00 H new ATOM 0 HB3 PRO A 40 51.298 5.199 -9.315 1.00 0.00 H new ATOM 0 HG2 PRO A 40 52.129 6.149 -11.664 1.00 0.00 H new ATOM 0 HG3 PRO A 40 53.297 5.673 -10.448 1.00 0.00 H new ATOM 0 HD2 PRO A 40 52.462 4.202 -12.943 1.00 0.00 H new ATOM 0 HD3 PRO A 40 54.051 4.317 -12.212 1.00 0.00 H new ATOM 599 N LEU A 41 50.271 1.759 -8.961 1.00 0.00 N ATOM 600 CA LEU A 41 49.112 0.892 -8.830 1.00 0.00 C ATOM 601 C LEU A 41 47.860 1.714 -8.578 1.00 0.00 C ATOM 602 O LEU A 41 47.928 2.808 -8.017 1.00 0.00 O ATOM 603 CB LEU A 41 49.310 -0.098 -7.678 1.00 0.00 C ATOM 604 CG LEU A 41 50.464 -1.082 -7.854 1.00 0.00 C ATOM 605 CD1 LEU A 41 50.610 -1.961 -6.623 1.00 0.00 C ATOM 606 CD2 LEU A 41 50.246 -1.932 -9.092 1.00 0.00 C ATOM 0 H LEU A 41 50.803 1.882 -8.099 1.00 0.00 H new ATOM 0 HA LEU A 41 48.997 0.339 -9.762 1.00 0.00 H new ATOM 0 HB2 LEU A 41 49.472 0.466 -6.760 1.00 0.00 H new ATOM 0 HB3 LEU A 41 48.388 -0.665 -7.545 1.00 0.00 H new ATOM 0 HG LEU A 41 51.386 -0.515 -7.980 1.00 0.00 H new ATOM 0 HD11 LEU A 41 51.438 -2.655 -6.768 1.00 0.00 H new ATOM 0 HD12 LEU A 41 50.808 -1.337 -5.752 1.00 0.00 H new ATOM 0 HD13 LEU A 41 49.689 -2.522 -6.465 1.00 0.00 H new ATOM 0 HD21 LEU A 41 51.076 -2.629 -9.205 1.00 0.00 H new ATOM 0 HD22 LEU A 41 49.315 -2.490 -8.991 1.00 0.00 H new ATOM 0 HD23 LEU A 41 50.190 -1.288 -9.970 1.00 0.00 H new ATOM 618 N GLN A 42 46.724 1.191 -8.998 1.00 0.00 N ATOM 619 CA GLN A 42 45.455 1.828 -8.716 1.00 0.00 C ATOM 620 C GLN A 42 44.991 1.416 -7.323 1.00 0.00 C ATOM 621 O GLN A 42 44.688 0.245 -7.084 1.00 0.00 O ATOM 622 CB GLN A 42 44.409 1.436 -9.762 1.00 0.00 C ATOM 623 CG GLN A 42 43.117 2.231 -9.652 1.00 0.00 C ATOM 624 CD GLN A 42 42.043 1.747 -10.608 1.00 0.00 C ATOM 625 OE1 GLN A 42 42.336 1.227 -11.686 1.00 0.00 O ATOM 626 NE2 GLN A 42 40.790 1.921 -10.220 1.00 0.00 N ATOM 0 H GLN A 42 46.655 0.327 -9.535 1.00 0.00 H new ATOM 0 HA GLN A 42 45.580 2.910 -8.755 1.00 0.00 H new ATOM 0 HB2 GLN A 42 44.830 1.578 -10.757 1.00 0.00 H new ATOM 0 HB3 GLN A 42 44.184 0.375 -9.659 1.00 0.00 H new ATOM 0 HG2 GLN A 42 42.743 2.167 -8.630 1.00 0.00 H new ATOM 0 HG3 GLN A 42 43.325 3.282 -9.850 1.00 0.00 H new ATOM 0 HE21 GLN A 42 40.591 2.356 -9.319 1.00 0.00 H new ATOM 0 HE22 GLN A 42 40.023 1.620 -10.822 1.00 0.00 H new ATOM 635 N VAL A 43 44.980 2.369 -6.405 1.00 0.00 N ATOM 636 CA VAL A 43 44.590 2.096 -5.030 1.00 0.00 C ATOM 637 C VAL A 43 43.080 1.949 -4.926 1.00 0.00 C ATOM 638 O VAL A 43 42.337 2.924 -5.061 1.00 0.00 O ATOM 639 CB VAL A 43 45.069 3.212 -4.075 1.00 0.00 C ATOM 640 CG1 VAL A 43 44.724 2.877 -2.630 1.00 0.00 C ATOM 641 CG2 VAL A 43 46.566 3.443 -4.230 1.00 0.00 C ATOM 0 H VAL A 43 45.237 3.339 -6.587 1.00 0.00 H new ATOM 0 HA VAL A 43 45.067 1.162 -4.733 1.00 0.00 H new ATOM 0 HB VAL A 43 44.549 4.132 -4.341 1.00 0.00 H new ATOM 0 HG11 VAL A 43 45.072 3.678 -1.978 1.00 0.00 H new ATOM 0 HG12 VAL A 43 43.644 2.770 -2.529 1.00 0.00 H new ATOM 0 HG13 VAL A 43 45.209 1.943 -2.347 1.00 0.00 H new ATOM 0 HG21 VAL A 43 46.885 4.232 -3.549 1.00 0.00 H new ATOM 0 HG22 VAL A 43 47.102 2.523 -3.996 1.00 0.00 H new ATOM 0 HG23 VAL A 43 46.784 3.739 -5.256 1.00 0.00 H new ATOM 651 N LEU A 44 42.627 0.726 -4.705 1.00 0.00 N ATOM 652 CA LEU A 44 41.206 0.448 -4.603 1.00 0.00 C ATOM 653 C LEU A 44 40.760 0.512 -3.154 1.00 0.00 C ATOM 654 O LEU A 44 40.728 -0.504 -2.467 1.00 0.00 O ATOM 655 CB LEU A 44 40.881 -0.942 -5.164 1.00 0.00 C ATOM 656 CG LEU A 44 41.387 -1.224 -6.579 1.00 0.00 C ATOM 657 CD1 LEU A 44 41.027 -2.641 -6.994 1.00 0.00 C ATOM 658 CD2 LEU A 44 40.814 -0.220 -7.563 1.00 0.00 C ATOM 0 H LEU A 44 43.226 -0.092 -4.593 1.00 0.00 H new ATOM 0 HA LEU A 44 40.676 1.202 -5.185 1.00 0.00 H new ATOM 0 HB2 LEU A 44 41.301 -1.691 -4.493 1.00 0.00 H new ATOM 0 HB3 LEU A 44 39.799 -1.074 -5.152 1.00 0.00 H new ATOM 0 HG LEU A 44 42.472 -1.125 -6.584 1.00 0.00 H new ATOM 0 HD11 LEU A 44 41.393 -2.829 -8.003 1.00 0.00 H new ATOM 0 HD12 LEU A 44 41.485 -3.350 -6.304 1.00 0.00 H new ATOM 0 HD13 LEU A 44 39.944 -2.762 -6.972 1.00 0.00 H new ATOM 0 HD21 LEU A 44 41.186 -0.438 -8.564 1.00 0.00 H new ATOM 0 HD22 LEU A 44 39.726 -0.286 -7.558 1.00 0.00 H new ATOM 0 HD23 LEU A 44 41.118 0.786 -7.274 1.00 0.00 H new ATOM 670 N LYS A 45 40.432 1.697 -2.677 1.00 0.00 N ATOM 671 CA LYS A 45 39.960 1.829 -1.312 1.00 0.00 C ATOM 672 C LYS A 45 38.448 1.935 -1.293 1.00 0.00 C ATOM 673 O LYS A 45 37.876 2.926 -1.749 1.00 0.00 O ATOM 674 CB LYS A 45 40.587 3.036 -0.606 1.00 0.00 C ATOM 675 CG LYS A 45 40.270 3.074 0.882 1.00 0.00 C ATOM 676 CD LYS A 45 40.918 4.261 1.577 1.00 0.00 C ATOM 677 CE LYS A 45 40.692 4.208 3.079 1.00 0.00 C ATOM 678 NZ LYS A 45 41.274 5.387 3.776 1.00 0.00 N ATOM 0 H LYS A 45 40.482 2.569 -3.204 1.00 0.00 H new ATOM 0 HA LYS A 45 40.266 0.936 -0.767 1.00 0.00 H new ATOM 0 HB2 LYS A 45 41.668 3.011 -0.743 1.00 0.00 H new ATOM 0 HB3 LYS A 45 40.228 3.953 -1.074 1.00 0.00 H new ATOM 0 HG2 LYS A 45 39.190 3.119 1.021 1.00 0.00 H new ATOM 0 HG3 LYS A 45 40.613 2.150 1.349 1.00 0.00 H new ATOM 0 HD2 LYS A 45 41.988 4.269 1.367 1.00 0.00 H new ATOM 0 HD3 LYS A 45 40.508 5.188 1.177 1.00 0.00 H new ATOM 0 HE2 LYS A 45 39.622 4.159 3.282 1.00 0.00 H new ATOM 0 HE3 LYS A 45 41.135 3.296 3.480 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 41.096 5.309 4.798 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 42.299 5.421 3.604 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 40.834 6.257 3.414 1.00 0.00 H new ATOM 692 N ALA A 46 37.811 0.897 -0.787 1.00 0.00 N ATOM 693 CA ALA A 46 36.370 0.874 -0.648 1.00 0.00 C ATOM 694 C ALA A 46 36.007 1.117 0.806 1.00 0.00 C ATOM 695 O ALA A 46 36.858 1.517 1.600 1.00 0.00 O ATOM 696 CB ALA A 46 35.815 -0.459 -1.131 1.00 0.00 C ATOM 0 H ALA A 46 38.277 0.050 -0.462 1.00 0.00 H new ATOM 0 HA ALA A 46 35.930 1.661 -1.260 1.00 0.00 H new ATOM 0 HB1 ALA A 46 34.731 -0.463 -1.021 1.00 0.00 H new ATOM 0 HB2 ALA A 46 36.074 -0.602 -2.180 1.00 0.00 H new ATOM 0 HB3 ALA A 46 36.243 -1.267 -0.538 1.00 0.00 H new ATOM 702 N CYS A 47 34.756 0.882 1.156 1.00 0.00 N ATOM 703 CA CYS A 47 34.318 1.037 2.530 1.00 0.00 C ATOM 704 C CYS A 47 34.851 -0.103 3.396 1.00 0.00 C ATOM 705 O CYS A 47 34.283 -1.197 3.434 1.00 0.00 O ATOM 706 CB CYS A 47 32.793 1.104 2.587 1.00 0.00 C ATOM 707 SG CYS A 47 31.968 -0.118 1.543 1.00 0.00 S ATOM 0 H CYS A 47 34.026 0.584 0.509 1.00 0.00 H new ATOM 0 HA CYS A 47 34.719 1.970 2.926 1.00 0.00 H new ATOM 0 HB2 CYS A 47 32.471 0.963 3.619 1.00 0.00 H new ATOM 0 HB3 CYS A 47 32.471 2.101 2.286 1.00 0.00 H new ATOM 0 HG CYS A 47 30.680 0.013 1.657 1.00 0.00 H new ATOM 713 N GLY A 48 35.972 0.146 4.051 1.00 0.00 N ATOM 714 CA GLY A 48 36.553 -0.840 4.933 1.00 0.00 C ATOM 715 C GLY A 48 37.877 -1.371 4.423 1.00 0.00 C ATOM 716 O GLY A 48 38.906 -1.222 5.082 1.00 0.00 O ATOM 0 H GLY A 48 36.493 1.020 3.986 1.00 0.00 H new ATOM 0 HA2 GLY A 48 36.698 -0.399 5.919 1.00 0.00 H new ATOM 0 HA3 GLY A 48 35.856 -1.669 5.054 1.00 0.00 H new ATOM 720 N ALA A 49 37.864 -1.963 3.237 1.00 0.00 N ATOM 721 CA ALA A 49 39.048 -2.631 2.705 1.00 0.00 C ATOM 722 C ALA A 49 39.693 -1.835 1.576 1.00 0.00 C ATOM 723 O ALA A 49 39.034 -1.044 0.897 1.00 0.00 O ATOM 724 CB ALA A 49 38.685 -4.028 2.225 1.00 0.00 C ATOM 0 H ALA A 49 37.049 -1.996 2.624 1.00 0.00 H new ATOM 0 HA ALA A 49 39.778 -2.702 3.511 1.00 0.00 H new ATOM 0 HB1 ALA A 49 39.574 -4.519 1.830 1.00 0.00 H new ATOM 0 HB2 ALA A 49 38.290 -4.608 3.059 1.00 0.00 H new ATOM 0 HB3 ALA A 49 37.930 -3.959 1.442 1.00 0.00 H new ATOM 730 N VAL A 50 40.984 -2.060 1.379 1.00 0.00 N ATOM 731 CA VAL A 50 41.739 -1.398 0.325 1.00 0.00 C ATOM 732 C VAL A 50 42.588 -2.419 -0.433 1.00 0.00 C ATOM 733 O VAL A 50 43.167 -3.326 0.169 1.00 0.00 O ATOM 734 CB VAL A 50 42.639 -0.274 0.903 1.00 0.00 C ATOM 735 CG1 VAL A 50 43.609 -0.823 1.942 1.00 0.00 C ATOM 736 CG2 VAL A 50 43.392 0.443 -0.210 1.00 0.00 C ATOM 0 H VAL A 50 41.537 -2.705 1.944 1.00 0.00 H new ATOM 0 HA VAL A 50 41.030 -0.941 -0.365 1.00 0.00 H new ATOM 0 HB VAL A 50 41.991 0.448 1.399 1.00 0.00 H new ATOM 0 HG11 VAL A 50 44.226 -0.012 2.328 1.00 0.00 H new ATOM 0 HG12 VAL A 50 43.048 -1.274 2.761 1.00 0.00 H new ATOM 0 HG13 VAL A 50 44.248 -1.577 1.481 1.00 0.00 H new ATOM 0 HG21 VAL A 50 44.016 1.227 0.219 1.00 0.00 H new ATOM 0 HG22 VAL A 50 44.021 -0.271 -0.742 1.00 0.00 H new ATOM 0 HG23 VAL A 50 42.679 0.887 -0.904 1.00 0.00 H new ATOM 746 N ASP A 51 42.642 -2.295 -1.754 1.00 0.00 N ATOM 747 CA ASP A 51 43.395 -3.233 -2.572 1.00 0.00 C ATOM 748 C ASP A 51 44.316 -2.486 -3.530 1.00 0.00 C ATOM 749 O ASP A 51 44.281 -1.255 -3.606 1.00 0.00 O ATOM 750 CB ASP A 51 42.441 -4.137 -3.358 1.00 0.00 C ATOM 751 CG ASP A 51 42.952 -5.558 -3.463 1.00 0.00 C ATOM 752 OD1 ASP A 51 44.164 -5.747 -3.680 1.00 0.00 O ATOM 753 OD2 ASP A 51 42.145 -6.494 -3.286 1.00 0.00 O ATOM 0 H ASP A 51 42.174 -1.556 -2.279 1.00 0.00 H new ATOM 0 HA ASP A 51 44.005 -3.852 -1.914 1.00 0.00 H new ATOM 0 HB2 ASP A 51 41.464 -4.139 -2.874 1.00 0.00 H new ATOM 0 HB3 ASP A 51 42.300 -3.729 -4.359 1.00 0.00 H new ATOM 758 N TYR A 52 45.134 -3.228 -4.262 1.00 0.00 N ATOM 759 CA TYR A 52 46.082 -2.638 -5.201 1.00 0.00 C ATOM 760 C TYR A 52 45.955 -3.301 -6.565 1.00 0.00 C ATOM 761 O TYR A 52 46.208 -4.499 -6.711 1.00 0.00 O ATOM 762 CB TYR A 52 47.514 -2.774 -4.682 1.00 0.00 C ATOM 763 CG TYR A 52 47.749 -2.101 -3.348 1.00 0.00 C ATOM 764 CD1 TYR A 52 47.885 -0.720 -3.258 1.00 0.00 C ATOM 765 CD2 TYR A 52 47.834 -2.845 -2.179 1.00 0.00 C ATOM 766 CE1 TYR A 52 48.096 -0.103 -2.040 1.00 0.00 C ATOM 767 CE2 TYR A 52 48.044 -2.237 -0.957 1.00 0.00 C ATOM 768 CZ TYR A 52 48.175 -0.866 -0.893 1.00 0.00 C ATOM 769 OH TYR A 52 48.384 -0.257 0.321 1.00 0.00 O ATOM 0 H TYR A 52 45.161 -4.247 -4.224 1.00 0.00 H new ATOM 0 HA TYR A 52 45.850 -1.578 -5.300 1.00 0.00 H new ATOM 0 HB2 TYR A 52 47.758 -3.832 -4.592 1.00 0.00 H new ATOM 0 HB3 TYR A 52 48.198 -2.350 -5.417 1.00 0.00 H new ATOM 0 HD1 TYR A 52 47.825 -0.120 -4.154 1.00 0.00 H new ATOM 0 HD2 TYR A 52 47.734 -3.919 -2.226 1.00 0.00 H new ATOM 0 HE1 TYR A 52 48.199 0.971 -1.986 1.00 0.00 H new ATOM 0 HE2 TYR A 52 48.105 -2.831 -0.057 1.00 0.00 H new ATOM 0 HH TYR A 52 48.413 -0.936 1.027 1.00 0.00 H new ATOM 779 N PHE A 53 45.566 -2.520 -7.558 1.00 0.00 N ATOM 780 CA PHE A 53 45.291 -3.050 -8.883 1.00 0.00 C ATOM 781 C PHE A 53 46.301 -2.533 -9.908 1.00 0.00 C ATOM 782 O PHE A 53 46.481 -1.328 -10.063 1.00 0.00 O ATOM 783 CB PHE A 53 43.868 -2.662 -9.287 1.00 0.00 C ATOM 784 CG PHE A 53 43.417 -3.222 -10.602 1.00 0.00 C ATOM 785 CD1 PHE A 53 43.262 -4.588 -10.772 1.00 0.00 C ATOM 786 CD2 PHE A 53 43.128 -2.382 -11.664 1.00 0.00 C ATOM 787 CE1 PHE A 53 42.833 -5.104 -11.977 1.00 0.00 C ATOM 788 CE2 PHE A 53 42.699 -2.892 -12.873 1.00 0.00 C ATOM 789 CZ PHE A 53 42.551 -4.257 -13.030 1.00 0.00 C ATOM 0 H PHE A 53 45.433 -1.512 -7.471 1.00 0.00 H new ATOM 0 HA PHE A 53 45.383 -4.136 -8.857 1.00 0.00 H new ATOM 0 HB2 PHE A 53 43.180 -2.996 -8.510 1.00 0.00 H new ATOM 0 HB3 PHE A 53 43.800 -1.575 -9.328 1.00 0.00 H new ATOM 0 HD1 PHE A 53 43.479 -5.256 -9.952 1.00 0.00 H new ATOM 0 HD2 PHE A 53 43.240 -1.314 -11.545 1.00 0.00 H new ATOM 0 HE1 PHE A 53 42.718 -6.171 -12.097 1.00 0.00 H new ATOM 0 HE2 PHE A 53 42.480 -2.226 -13.694 1.00 0.00 H new ATOM 0 HZ PHE A 53 42.216 -4.660 -13.974 1.00 0.00 H new ATOM 799 N CYS A 54 46.967 -3.452 -10.595 1.00 0.00 N ATOM 800 CA CYS A 54 47.885 -3.091 -11.666 1.00 0.00 C ATOM 801 C CYS A 54 47.151 -3.102 -12.997 1.00 0.00 C ATOM 802 O CYS A 54 47.094 -4.134 -13.679 1.00 0.00 O ATOM 803 CB CYS A 54 49.075 -4.069 -11.711 1.00 0.00 C ATOM 804 SG CYS A 54 50.275 -3.780 -13.052 1.00 0.00 S ATOM 0 H CYS A 54 46.888 -4.455 -10.429 1.00 0.00 H new ATOM 0 HA CYS A 54 48.269 -2.089 -11.475 1.00 0.00 H new ATOM 0 HB2 CYS A 54 49.602 -4.018 -10.758 1.00 0.00 H new ATOM 0 HB3 CYS A 54 48.687 -5.083 -11.806 1.00 0.00 H new ATOM 809 N GLN A 55 46.570 -1.961 -13.359 1.00 0.00 N ATOM 810 CA GLN A 55 45.878 -1.853 -14.630 1.00 0.00 C ATOM 811 C GLN A 55 46.900 -1.664 -15.740 1.00 0.00 C ATOM 812 O GLN A 55 47.316 -0.550 -16.036 1.00 0.00 O ATOM 813 CB GLN A 55 44.869 -0.699 -14.621 1.00 0.00 C ATOM 814 CG GLN A 55 44.045 -0.617 -15.895 1.00 0.00 C ATOM 815 CD GLN A 55 43.008 0.489 -15.867 1.00 0.00 C ATOM 816 OE1 GLN A 55 42.673 1.058 -16.905 1.00 0.00 O ATOM 817 NE2 GLN A 55 42.489 0.799 -14.689 1.00 0.00 N ATOM 0 H GLN A 55 46.567 -1.111 -12.795 1.00 0.00 H new ATOM 0 HA GLN A 55 45.317 -2.771 -14.804 1.00 0.00 H new ATOM 0 HB2 GLN A 55 44.199 -0.817 -13.769 1.00 0.00 H new ATOM 0 HB3 GLN A 55 45.402 0.241 -14.479 1.00 0.00 H new ATOM 0 HG2 GLN A 55 44.713 -0.459 -16.742 1.00 0.00 H new ATOM 0 HG3 GLN A 55 43.544 -1.571 -16.058 1.00 0.00 H new ATOM 0 HE21 GLN A 55 42.794 0.303 -13.851 1.00 0.00 H new ATOM 0 HE22 GLN A 55 41.785 1.533 -14.619 1.00 0.00 H new ATOM 826 N HIS A 56 47.270 -2.780 -16.345 1.00 0.00 N ATOM 827 CA HIS A 56 48.318 -2.861 -17.363 1.00 0.00 C ATOM 828 C HIS A 56 48.371 -4.296 -17.862 1.00 0.00 C ATOM 829 O HIS A 56 48.635 -4.559 -19.031 1.00 0.00 O ATOM 830 CB HIS A 56 49.714 -2.472 -16.825 1.00 0.00 C ATOM 831 CG HIS A 56 49.988 -0.993 -16.768 1.00 0.00 C ATOM 832 ND1 HIS A 56 49.987 -0.179 -17.879 1.00 0.00 N ATOM 833 CD2 HIS A 56 50.261 -0.183 -15.714 1.00 0.00 C ATOM 834 CE1 HIS A 56 50.245 1.064 -17.511 1.00 0.00 C ATOM 835 NE2 HIS A 56 50.414 1.090 -16.201 1.00 0.00 N ATOM 0 H HIS A 56 46.841 -3.683 -16.140 1.00 0.00 H new ATOM 0 HA HIS A 56 48.072 -2.155 -18.156 1.00 0.00 H new ATOM 0 HB2 HIS A 56 49.828 -2.886 -15.823 1.00 0.00 H new ATOM 0 HB3 HIS A 56 50.472 -2.942 -17.452 1.00 0.00 H new ATOM 0 HD2 HIS A 56 50.343 -0.486 -14.680 1.00 0.00 H new ATOM 0 HE1 HIS A 56 50.307 1.916 -18.171 1.00 0.00 H new ATOM 0 HE2 HIS A 56 50.623 1.919 -15.644 1.00 0.00 H new ATOM 844 N GLY A 57 48.116 -5.222 -16.944 1.00 0.00 N ATOM 845 CA GLY A 57 48.081 -6.625 -17.293 1.00 0.00 C ATOM 846 C GLY A 57 48.663 -7.506 -16.206 1.00 0.00 C ATOM 847 O GLY A 57 49.426 -8.423 -16.493 1.00 0.00 O ATOM 0 H GLY A 57 47.933 -5.022 -15.961 1.00 0.00 H new ATOM 0 HA2 GLY A 57 47.050 -6.923 -17.485 1.00 0.00 H new ATOM 0 HA3 GLY A 57 48.636 -6.780 -18.218 1.00 0.00 H new ATOM 851 N HIS A 58 48.328 -7.216 -14.948 1.00 0.00 N ATOM 852 CA HIS A 58 48.797 -8.034 -13.823 1.00 0.00 C ATOM 853 C HIS A 58 47.675 -8.289 -12.824 1.00 0.00 C ATOM 854 O HIS A 58 47.762 -9.201 -12.000 1.00 0.00 O ATOM 855 CB HIS A 58 49.988 -7.376 -13.109 1.00 0.00 C ATOM 856 CG HIS A 58 51.222 -7.313 -13.953 1.00 0.00 C ATOM 857 ND1 HIS A 58 51.935 -6.140 -14.185 1.00 0.00 N ATOM 858 CD2 HIS A 58 51.835 -8.279 -14.680 1.00 0.00 C ATOM 859 CE1 HIS A 58 52.924 -6.415 -15.041 1.00 0.00 C ATOM 860 NE2 HIS A 58 52.879 -7.694 -15.343 1.00 0.00 N ATOM 0 H HIS A 58 47.738 -6.428 -14.681 1.00 0.00 H new ATOM 0 HA HIS A 58 49.124 -8.988 -14.236 1.00 0.00 H new ATOM 0 HB2 HIS A 58 49.710 -6.366 -12.808 1.00 0.00 H new ATOM 0 HB3 HIS A 58 50.208 -7.931 -12.197 1.00 0.00 H new ATOM 0 HD2 HIS A 58 51.551 -9.320 -14.727 1.00 0.00 H new ATOM 0 HE1 HIS A 58 53.642 -5.704 -15.422 1.00 0.00 H new ATOM 0 HE2 HIS A 58 53.522 -8.175 -15.973 1.00 0.00 H new ATOM 868 N GLY A 59 46.624 -7.484 -12.907 1.00 0.00 N ATOM 869 CA GLY A 59 45.503 -7.631 -12.001 1.00 0.00 C ATOM 870 C GLY A 59 45.829 -7.131 -10.614 1.00 0.00 C ATOM 871 O GLY A 59 46.595 -6.178 -10.458 1.00 0.00 O ATOM 0 H GLY A 59 46.528 -6.730 -13.587 1.00 0.00 H new ATOM 0 HA2 GLY A 59 44.646 -7.083 -12.392 1.00 0.00 H new ATOM 0 HA3 GLY A 59 45.213 -8.681 -11.950 1.00 0.00 H new ATOM 875 N LEU A 60 45.257 -7.769 -9.606 1.00 0.00 N ATOM 876 CA LEU A 60 45.516 -7.396 -8.225 1.00 0.00 C ATOM 877 C LEU A 60 46.906 -7.860 -7.816 1.00 0.00 C ATOM 878 O LEU A 60 47.288 -9.006 -8.066 1.00 0.00 O ATOM 879 CB LEU A 60 44.451 -7.999 -7.307 1.00 0.00 C ATOM 880 CG LEU A 60 43.022 -7.536 -7.591 1.00 0.00 C ATOM 881 CD1 LEU A 60 42.026 -8.307 -6.743 1.00 0.00 C ATOM 882 CD2 LEU A 60 42.888 -6.042 -7.338 1.00 0.00 C ATOM 0 H LEU A 60 44.609 -8.549 -9.718 1.00 0.00 H new ATOM 0 HA LEU A 60 45.471 -6.311 -8.133 1.00 0.00 H new ATOM 0 HB2 LEU A 60 44.490 -9.085 -7.393 1.00 0.00 H new ATOM 0 HB3 LEU A 60 44.699 -7.752 -6.275 1.00 0.00 H new ATOM 0 HG LEU A 60 42.802 -7.734 -8.640 1.00 0.00 H new ATOM 0 HD11 LEU A 60 41.016 -7.960 -6.962 1.00 0.00 H new ATOM 0 HD12 LEU A 60 42.102 -9.371 -6.970 1.00 0.00 H new ATOM 0 HD13 LEU A 60 42.244 -8.144 -5.687 1.00 0.00 H new ATOM 0 HD21 LEU A 60 41.865 -5.728 -7.545 1.00 0.00 H new ATOM 0 HD22 LEU A 60 43.131 -5.826 -6.298 1.00 0.00 H new ATOM 0 HD23 LEU A 60 43.573 -5.500 -7.990 1.00 0.00 H new ATOM 894 N ILE A 61 47.665 -6.966 -7.209 1.00 0.00 N ATOM 895 CA ILE A 61 49.038 -7.260 -6.839 1.00 0.00 C ATOM 896 C ILE A 61 49.113 -7.780 -5.413 1.00 0.00 C ATOM 897 O ILE A 61 48.557 -7.177 -4.494 1.00 0.00 O ATOM 898 CB ILE A 61 49.942 -6.016 -6.989 1.00 0.00 C ATOM 899 CG1 ILE A 61 49.983 -5.565 -8.451 1.00 0.00 C ATOM 900 CG2 ILE A 61 51.350 -6.301 -6.477 1.00 0.00 C ATOM 901 CD1 ILE A 61 50.484 -6.631 -9.408 1.00 0.00 C ATOM 0 H ILE A 61 47.353 -6.027 -6.961 1.00 0.00 H new ATOM 0 HA ILE A 61 49.399 -8.032 -7.519 1.00 0.00 H new ATOM 0 HB ILE A 61 49.521 -5.211 -6.386 1.00 0.00 H new ATOM 0 HG12 ILE A 61 48.982 -5.259 -8.755 1.00 0.00 H new ATOM 0 HG13 ILE A 61 50.624 -4.687 -8.533 1.00 0.00 H new ATOM 0 HG21 ILE A 61 51.967 -5.410 -6.594 1.00 0.00 H new ATOM 0 HG22 ILE A 61 51.305 -6.576 -5.423 1.00 0.00 H new ATOM 0 HG23 ILE A 61 51.786 -7.121 -7.048 1.00 0.00 H new ATOM 0 HD11 ILE A 61 50.484 -6.237 -10.424 1.00 0.00 H new ATOM 0 HD12 ILE A 61 51.498 -6.921 -9.131 1.00 0.00 H new ATOM 0 HD13 ILE A 61 49.831 -7.502 -9.357 1.00 0.00 H new ATOM 913 N SER A 62 49.787 -8.913 -5.243 1.00 0.00 N ATOM 914 CA SER A 62 49.997 -9.490 -3.926 1.00 0.00 C ATOM 915 C SER A 62 50.693 -8.476 -3.021 1.00 0.00 C ATOM 916 O SER A 62 51.771 -7.972 -3.344 1.00 0.00 O ATOM 917 CB SER A 62 50.832 -10.769 -4.039 1.00 0.00 C ATOM 918 OG SER A 62 50.860 -11.476 -2.810 1.00 0.00 O ATOM 0 H SER A 62 50.198 -9.450 -6.007 1.00 0.00 H new ATOM 0 HA SER A 62 49.031 -9.745 -3.489 1.00 0.00 H new ATOM 0 HB2 SER A 62 50.419 -11.408 -4.819 1.00 0.00 H new ATOM 0 HB3 SER A 62 51.849 -10.517 -4.339 1.00 0.00 H new ATOM 0 HG SER A 62 51.398 -12.288 -2.912 1.00 0.00 H new ATOM 924 N LYS A 63 50.079 -8.192 -1.881 1.00 0.00 N ATOM 925 CA LYS A 63 50.529 -7.112 -1.006 1.00 0.00 C ATOM 926 C LYS A 63 51.803 -7.476 -0.247 1.00 0.00 C ATOM 927 O LYS A 63 52.287 -6.702 0.573 1.00 0.00 O ATOM 928 CB LYS A 63 49.409 -6.734 -0.041 1.00 0.00 C ATOM 929 CG LYS A 63 48.154 -6.279 -0.763 1.00 0.00 C ATOM 930 CD LYS A 63 47.022 -5.960 0.193 1.00 0.00 C ATOM 931 CE LYS A 63 45.767 -5.567 -0.569 1.00 0.00 C ATOM 932 NZ LYS A 63 45.282 -6.669 -1.444 1.00 0.00 N ATOM 0 H LYS A 63 49.262 -8.697 -1.536 1.00 0.00 H new ATOM 0 HA LYS A 63 50.773 -6.253 -1.631 1.00 0.00 H new ATOM 0 HB2 LYS A 63 49.172 -7.591 0.590 1.00 0.00 H new ATOM 0 HB3 LYS A 63 49.754 -5.938 0.619 1.00 0.00 H new ATOM 0 HG2 LYS A 63 48.381 -5.396 -1.360 1.00 0.00 H new ATOM 0 HG3 LYS A 63 47.833 -7.058 -1.455 1.00 0.00 H new ATOM 0 HD2 LYS A 63 46.815 -6.827 0.821 1.00 0.00 H new ATOM 0 HD3 LYS A 63 47.319 -5.148 0.857 1.00 0.00 H new ATOM 0 HE2 LYS A 63 44.984 -5.293 0.138 1.00 0.00 H new ATOM 0 HE3 LYS A 63 45.972 -4.685 -1.176 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 45.259 -6.344 -2.432 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 45.922 -7.484 -1.362 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 44.325 -6.950 -1.150 1.00 0.00 H new ATOM 946 N LYS A 64 52.345 -8.651 -0.523 1.00 0.00 N ATOM 947 CA LYS A 64 53.636 -9.031 0.024 1.00 0.00 C ATOM 948 C LYS A 64 54.727 -8.832 -1.022 1.00 0.00 C ATOM 949 O LYS A 64 55.916 -8.956 -0.733 1.00 0.00 O ATOM 950 CB LYS A 64 53.620 -10.487 0.500 1.00 0.00 C ATOM 951 CG LYS A 64 52.733 -10.746 1.715 1.00 0.00 C ATOM 952 CD LYS A 64 53.324 -10.179 3.004 1.00 0.00 C ATOM 953 CE LYS A 64 53.082 -8.680 3.144 1.00 0.00 C ATOM 954 NZ LYS A 64 53.627 -8.148 4.421 1.00 0.00 N ATOM 0 H LYS A 64 51.912 -9.356 -1.120 1.00 0.00 H new ATOM 0 HA LYS A 64 53.846 -8.393 0.883 1.00 0.00 H new ATOM 0 HB2 LYS A 64 53.284 -11.121 -0.321 1.00 0.00 H new ATOM 0 HB3 LYS A 64 54.640 -10.789 0.739 1.00 0.00 H new ATOM 0 HG2 LYS A 64 51.751 -10.304 1.544 1.00 0.00 H new ATOM 0 HG3 LYS A 64 52.584 -11.820 1.829 1.00 0.00 H new ATOM 0 HD2 LYS A 64 52.888 -10.696 3.859 1.00 0.00 H new ATOM 0 HD3 LYS A 64 54.396 -10.375 3.026 1.00 0.00 H new ATOM 0 HE2 LYS A 64 53.544 -8.158 2.306 1.00 0.00 H new ATOM 0 HE3 LYS A 64 52.012 -8.479 3.094 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 53.442 -7.126 4.478 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 53.168 -8.628 5.221 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 54.652 -8.317 4.458 1.00 0.00 H new ATOM 968 N ARG A 65 54.311 -8.510 -2.242 1.00 0.00 N ATOM 969 CA ARG A 65 55.246 -8.326 -3.346 1.00 0.00 C ATOM 970 C ARG A 65 55.277 -6.875 -3.804 1.00 0.00 C ATOM 971 O ARG A 65 56.137 -6.489 -4.587 1.00 0.00 O ATOM 972 CB ARG A 65 54.865 -9.215 -4.530 1.00 0.00 C ATOM 973 CG ARG A 65 54.815 -10.695 -4.203 1.00 0.00 C ATOM 974 CD ARG A 65 54.445 -11.510 -5.429 1.00 0.00 C ATOM 975 NE ARG A 65 54.267 -12.925 -5.122 1.00 0.00 N ATOM 976 CZ ARG A 65 53.987 -13.851 -6.036 1.00 0.00 C ATOM 977 NH1 ARG A 65 53.952 -13.529 -7.323 1.00 0.00 N ATOM 978 NH2 ARG A 65 53.777 -15.105 -5.659 1.00 0.00 N ATOM 0 H ARG A 65 53.332 -8.371 -2.492 1.00 0.00 H new ATOM 0 HA ARG A 65 56.235 -8.606 -2.984 1.00 0.00 H new ATOM 0 HB2 ARG A 65 53.890 -8.904 -4.905 1.00 0.00 H new ATOM 0 HB3 ARG A 65 55.582 -9.056 -5.335 1.00 0.00 H new ATOM 0 HG2 ARG A 65 55.784 -11.020 -3.824 1.00 0.00 H new ATOM 0 HG3 ARG A 65 54.087 -10.872 -3.411 1.00 0.00 H new ATOM 0 HD2 ARG A 65 53.525 -11.116 -5.860 1.00 0.00 H new ATOM 0 HD3 ARG A 65 55.223 -11.400 -6.184 1.00 0.00 H new ATOM 0 HE ARG A 65 54.363 -13.222 -4.151 1.00 0.00 H new ATOM 0 HH11 ARG A 65 54.140 -12.570 -7.614 1.00 0.00 H new ATOM 0 HH12 ARG A 65 53.737 -14.241 -8.021 1.00 0.00 H new ATOM 0 HH21 ARG A 65 53.830 -15.357 -4.672 1.00 0.00 H new ATOM 0 HH22 ARG A 65 53.562 -15.818 -6.356 1.00 0.00 H new ATOM 992 N VAL A 66 54.329 -6.081 -3.311 1.00 0.00 N ATOM 993 CA VAL A 66 54.195 -4.682 -3.716 1.00 0.00 C ATOM 994 C VAL A 66 55.508 -3.911 -3.510 1.00 0.00 C ATOM 995 O VAL A 66 56.245 -4.154 -2.551 1.00 0.00 O ATOM 996 CB VAL A 66 53.038 -3.994 -2.950 1.00 0.00 C ATOM 997 CG1 VAL A 66 53.286 -4.029 -1.454 1.00 0.00 C ATOM 998 CG2 VAL A 66 52.833 -2.562 -3.428 1.00 0.00 C ATOM 0 H VAL A 66 53.637 -6.385 -2.626 1.00 0.00 H new ATOM 0 HA VAL A 66 53.961 -4.670 -4.780 1.00 0.00 H new ATOM 0 HB VAL A 66 52.124 -4.550 -3.159 1.00 0.00 H new ATOM 0 HG11 VAL A 66 52.460 -3.540 -0.937 1.00 0.00 H new ATOM 0 HG12 VAL A 66 53.360 -5.064 -1.122 1.00 0.00 H new ATOM 0 HG13 VAL A 66 54.216 -3.508 -1.227 1.00 0.00 H new ATOM 0 HG21 VAL A 66 52.014 -2.106 -2.871 1.00 0.00 H new ATOM 0 HG22 VAL A 66 53.746 -1.990 -3.264 1.00 0.00 H new ATOM 0 HG23 VAL A 66 52.592 -2.564 -4.491 1.00 0.00 H new ATOM 1008 N GLU A 67 55.799 -2.999 -4.425 1.00 0.00 N ATOM 1009 CA GLU A 67 57.043 -2.250 -4.395 1.00 0.00 C ATOM 1010 C GLU A 67 56.858 -0.936 -3.646 1.00 0.00 C ATOM 1011 O GLU A 67 56.295 0.016 -4.181 1.00 0.00 O ATOM 1012 CB GLU A 67 57.510 -1.971 -5.826 1.00 0.00 C ATOM 1013 CG GLU A 67 58.899 -1.365 -5.917 1.00 0.00 C ATOM 1014 CD GLU A 67 59.993 -2.382 -5.679 1.00 0.00 C ATOM 1015 OE1 GLU A 67 60.169 -2.817 -4.523 1.00 0.00 O ATOM 1016 OE2 GLU A 67 60.683 -2.751 -6.651 1.00 0.00 O ATOM 0 H GLU A 67 55.184 -2.759 -5.203 1.00 0.00 H new ATOM 0 HA GLU A 67 57.796 -2.842 -3.876 1.00 0.00 H new ATOM 0 HB2 GLU A 67 57.494 -2.903 -6.390 1.00 0.00 H new ATOM 0 HB3 GLU A 67 56.799 -1.297 -6.304 1.00 0.00 H new ATOM 0 HG2 GLU A 67 59.032 -0.917 -6.902 1.00 0.00 H new ATOM 0 HG3 GLU A 67 58.990 -0.561 -5.186 1.00 0.00 H new ATOM 1023 N PHE A 68 57.312 -0.887 -2.404 1.00 0.00 N ATOM 1024 CA PHE A 68 57.251 0.347 -1.635 1.00 0.00 C ATOM 1025 C PHE A 68 58.542 1.135 -1.792 1.00 0.00 C ATOM 1026 O PHE A 68 59.589 0.742 -1.272 1.00 0.00 O ATOM 1027 CB PHE A 68 56.992 0.077 -0.152 1.00 0.00 C ATOM 1028 CG PHE A 68 55.606 -0.413 0.152 1.00 0.00 C ATOM 1029 CD1 PHE A 68 54.495 0.322 -0.235 1.00 0.00 C ATOM 1030 CD2 PHE A 68 55.412 -1.604 0.831 1.00 0.00 C ATOM 1031 CE1 PHE A 68 53.220 -0.126 0.047 1.00 0.00 C ATOM 1032 CE2 PHE A 68 54.139 -2.055 1.116 1.00 0.00 C ATOM 1033 CZ PHE A 68 53.041 -1.315 0.724 1.00 0.00 C ATOM 0 H PHE A 68 57.723 -1.679 -1.910 1.00 0.00 H new ATOM 0 HA PHE A 68 56.418 0.932 -2.025 1.00 0.00 H new ATOM 0 HB2 PHE A 68 57.712 -0.661 0.202 1.00 0.00 H new ATOM 0 HB3 PHE A 68 57.172 0.994 0.409 1.00 0.00 H new ATOM 0 HD1 PHE A 68 54.629 1.255 -0.763 1.00 0.00 H new ATOM 0 HD2 PHE A 68 56.267 -2.187 1.141 1.00 0.00 H new ATOM 0 HE1 PHE A 68 52.363 0.454 -0.262 1.00 0.00 H new ATOM 0 HE2 PHE A 68 54.002 -2.986 1.645 1.00 0.00 H new ATOM 0 HZ PHE A 68 52.044 -1.666 0.947 1.00 0.00 H new ATOM 1043 N VAL A 69 58.465 2.235 -2.524 1.00 0.00 N ATOM 1044 CA VAL A 69 59.620 3.098 -2.730 1.00 0.00 C ATOM 1045 C VAL A 69 59.536 4.319 -1.824 1.00 0.00 C ATOM 1046 O VAL A 69 58.467 4.646 -1.308 1.00 0.00 O ATOM 1047 CB VAL A 69 59.740 3.558 -4.201 1.00 0.00 C ATOM 1048 CG1 VAL A 69 59.923 2.360 -5.123 1.00 0.00 C ATOM 1049 CG2 VAL A 69 58.524 4.376 -4.618 1.00 0.00 C ATOM 0 H VAL A 69 57.613 2.553 -2.987 1.00 0.00 H new ATOM 0 HA VAL A 69 60.507 2.515 -2.482 1.00 0.00 H new ATOM 0 HB VAL A 69 60.620 4.196 -4.285 1.00 0.00 H new ATOM 0 HG11 VAL A 69 60.006 2.704 -6.154 1.00 0.00 H new ATOM 0 HG12 VAL A 69 60.830 1.823 -4.846 1.00 0.00 H new ATOM 0 HG13 VAL A 69 59.065 1.695 -5.030 1.00 0.00 H new ATOM 0 HG21 VAL A 69 58.634 4.687 -5.657 1.00 0.00 H new ATOM 0 HG22 VAL A 69 57.624 3.769 -4.514 1.00 0.00 H new ATOM 0 HG23 VAL A 69 58.443 5.257 -3.982 1.00 0.00 H new ATOM 1059 N LEU A 70 60.658 4.994 -1.635 1.00 0.00 N ATOM 1060 CA LEU A 70 60.709 6.157 -0.763 1.00 0.00 C ATOM 1061 C LEU A 70 60.416 7.423 -1.559 1.00 0.00 C ATOM 1062 O LEU A 70 61.033 7.669 -2.596 1.00 0.00 O ATOM 1063 CB LEU A 70 62.084 6.267 -0.097 1.00 0.00 C ATOM 1064 CG LEU A 70 62.548 5.020 0.662 1.00 0.00 C ATOM 1065 CD1 LEU A 70 63.928 5.246 1.259 1.00 0.00 C ATOM 1066 CD2 LEU A 70 61.553 4.650 1.751 1.00 0.00 C ATOM 0 H LEU A 70 61.547 4.756 -2.074 1.00 0.00 H new ATOM 0 HA LEU A 70 59.952 6.041 0.013 1.00 0.00 H new ATOM 0 HB2 LEU A 70 62.823 6.501 -0.864 1.00 0.00 H new ATOM 0 HB3 LEU A 70 62.067 7.108 0.596 1.00 0.00 H new ATOM 0 HG LEU A 70 62.605 4.192 -0.044 1.00 0.00 H new ATOM 0 HD11 LEU A 70 64.244 4.351 1.795 1.00 0.00 H new ATOM 0 HD12 LEU A 70 64.639 5.461 0.461 1.00 0.00 H new ATOM 0 HD13 LEU A 70 63.892 6.089 1.949 1.00 0.00 H new ATOM 0 HD21 LEU A 70 61.903 3.762 2.277 1.00 0.00 H new ATOM 0 HD22 LEU A 70 61.461 5.476 2.456 1.00 0.00 H new ATOM 0 HD23 LEU A 70 60.581 4.446 1.302 1.00 0.00 H new ATOM 1078 N ALA A 71 59.452 8.202 -1.087 1.00 0.00 N ATOM 1079 CA ALA A 71 59.115 9.469 -1.724 1.00 0.00 C ATOM 1080 C ALA A 71 60.055 10.574 -1.254 1.00 0.00 C ATOM 1081 O ALA A 71 59.896 11.051 -0.108 1.00 0.00 O ATOM 1082 CB ALA A 71 57.670 9.848 -1.441 1.00 0.00 C ATOM 1083 OXT ALA A 71 60.949 10.969 -2.032 1.00 0.00 O ATOM 0 H ALA A 71 58.890 7.979 -0.266 1.00 0.00 H new ATOM 0 HA ALA A 71 59.234 9.348 -2.801 1.00 0.00 H new ATOM 0 HB1 ALA A 71 57.441 10.797 -1.926 1.00 0.00 H new ATOM 0 HB2 ALA A 71 57.008 9.073 -1.828 1.00 0.00 H new ATOM 0 HB3 ALA A 71 57.524 9.946 -0.365 1.00 0.00 H new TER 1089 ALA A 71 HETATM 1090 ZN ZN A 150 63.649 6.569 11.972 1.00 0.00 ZN HETATM 1091 ZN ZN A 200 52.503 -4.696 -12.844 1.00 0.00 ZN