USER MOD reduce.3.24.130724 H: found=0, std=0, add=580, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 577 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 Single : A 1 SER N :NH3+ -116:sc= 0.0896 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= -0.126 USER MOD Single : A 2 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 7 LYS NZ :NH3+ 171:sc= -0.0865 (180deg=-0.215) USER MOD Single : A 10 SER OG : rot 180:sc= -0.0243 USER MOD Single : A 15 LYS NZ :NH3+ 171:sc= -0.184 (180deg=-0.347) USER MOD Single : A 16 ASN : amide:sc= -0.508 K(o=-0.51,f=-2.5!) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 HIS : no HD1:sc= -0.507 X(o=-0.51,f=-0.026) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ -149:sc= 0 (180deg=-0.708) USER MOD Single : A 47 GLN : amide:sc= -0.11 X(o=-0.11,f=-0.54) USER MOD Single : A 63 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0667) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 67 ASN : amide:sc= -0.0183 X(o=-0.018,f=-0.012) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot 180:sc= 0.0197 USER MOD Single : A 76 THR OG1 : rot 29:sc= 0.621 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 5.199 1.823 1.467 1.00 72.21 N ATOM 2 CA SER A 1 4.764 1.201 0.222 1.00 21.12 C ATOM 3 C SER A 1 5.617 -0.022 -0.100 1.00 45.33 C ATOM 4 O SER A 1 6.649 -0.257 0.527 1.00 4.45 O ATOM 5 CB SER A 1 4.838 2.206 -0.928 1.00 10.44 C ATOM 6 OG SER A 1 4.255 1.677 -2.107 1.00 60.43 O ATOM 0 H1 SER A 1 4.436 1.760 2.171 1.00 72.21 H new ATOM 0 H2 SER A 1 6.042 1.331 1.825 1.00 72.21 H new ATOM 0 H3 SER A 1 5.429 2.822 1.294 1.00 72.21 H new ATOM 0 HA SER A 1 3.730 0.879 0.347 1.00 21.12 H new ATOM 0 HB2 SER A 1 4.324 3.125 -0.645 1.00 10.44 H new ATOM 0 HB3 SER A 1 5.879 2.468 -1.119 1.00 10.44 H new ATOM 0 HG SER A 1 4.314 2.340 -2.827 1.00 60.43 H new ATOM 12 N ASN A 2 5.178 -0.800 -1.086 1.00 23.30 N ATOM 13 CA ASN A 2 5.899 -2.000 -1.492 1.00 5.33 C ATOM 14 C ASN A 2 6.624 -1.775 -2.817 1.00 74.30 C ATOM 15 O ASN A 2 6.002 -1.461 -3.831 1.00 40.12 O ATOM 16 CB ASN A 2 4.937 -3.181 -1.620 1.00 13.33 C ATOM 17 CG ASN A 2 5.661 -4.500 -1.808 1.00 3.04 C ATOM 18 OD1 ASN A 2 6.385 -4.955 -0.923 1.00 33.21 O ATOM 19 ND2 ASN A 2 5.468 -5.121 -2.966 1.00 61.32 N ATOM 0 H ASN A 2 4.326 -0.620 -1.618 1.00 23.30 H new ATOM 0 HA ASN A 2 6.639 -2.226 -0.725 1.00 5.33 H new ATOM 0 HB2 ASN A 2 4.313 -3.236 -0.728 1.00 13.33 H new ATOM 0 HB3 ASN A 2 4.270 -3.012 -2.465 1.00 13.33 H new ATOM 0 HD21 ASN A 2 5.929 -6.012 -3.150 1.00 61.32 H new ATOM 0 HD22 ASN A 2 4.859 -4.707 -3.672 1.00 61.32 H new ATOM 26 N GLU A 3 7.944 -1.940 -2.798 1.00 13.45 N ATOM 27 CA GLU A 3 8.753 -1.755 -3.997 1.00 73.43 C ATOM 28 C GLU A 3 8.885 -3.065 -4.771 1.00 44.23 C ATOM 29 O GLU A 3 8.365 -4.100 -4.355 1.00 60.13 O ATOM 30 CB GLU A 3 10.139 -1.226 -3.628 1.00 22.32 C ATOM 31 CG GLU A 3 10.146 0.241 -3.233 1.00 15.25 C ATOM 32 CD GLU A 3 11.548 0.807 -3.111 1.00 55.13 C ATOM 33 OE1 GLU A 3 12.142 0.686 -2.019 1.00 21.11 O1- ATOM 34 OE2 GLU A 3 12.050 1.370 -4.106 1.00 20.33 O ATOM 0 H GLU A 3 8.474 -2.201 -1.967 1.00 13.45 H new ATOM 0 HA GLU A 3 8.252 -1.025 -4.633 1.00 73.43 H new ATOM 0 HB2 GLU A 3 10.536 -1.817 -2.803 1.00 22.32 H new ATOM 0 HB3 GLU A 3 10.810 -1.369 -4.475 1.00 22.32 H new ATOM 0 HG2 GLU A 3 9.590 0.815 -3.974 1.00 15.25 H new ATOM 0 HG3 GLU A 3 9.627 0.360 -2.282 1.00 15.25 H new ATOM 41 N CYS A 4 9.586 -3.009 -5.899 1.00 52.22 N ATOM 42 CA CYS A 4 9.787 -4.189 -6.732 1.00 21.31 C ATOM 43 C CYS A 4 11.269 -4.542 -6.825 1.00 74.32 C ATOM 44 O CYS A 4 12.127 -3.796 -6.352 1.00 44.11 O ATOM 45 CB CYS A 4 9.220 -3.952 -8.133 1.00 51.15 C ATOM 46 SG CYS A 4 9.975 -2.547 -9.014 1.00 11.12 S ATOM 0 H CYS A 4 10.024 -2.160 -6.257 1.00 52.22 H new ATOM 0 HA CYS A 4 9.260 -5.024 -6.270 1.00 21.31 H new ATOM 0 HB2 CYS A 4 9.358 -4.856 -8.727 1.00 51.15 H new ATOM 0 HB3 CYS A 4 8.146 -3.783 -8.055 1.00 51.15 H new ATOM 51 N ILE A 5 11.561 -5.685 -7.437 1.00 31.52 N ATOM 52 CA ILE A 5 12.939 -6.136 -7.593 1.00 72.10 C ATOM 53 C ILE A 5 13.692 -5.268 -8.594 1.00 53.01 C ATOM 54 O ILE A 5 13.169 -4.933 -9.657 1.00 4.05 O ATOM 55 CB ILE A 5 13.001 -7.604 -8.055 1.00 12.53 C ATOM 56 CG1 ILE A 5 12.291 -8.509 -7.046 1.00 62.43 C ATOM 57 CG2 ILE A 5 14.446 -8.040 -8.240 1.00 31.52 C ATOM 58 CD1 ILE A 5 11.906 -9.859 -7.612 1.00 31.22 C ATOM 0 H ILE A 5 10.863 -6.315 -7.832 1.00 31.52 H new ATOM 0 HA ILE A 5 13.412 -6.050 -6.615 1.00 72.10 H new ATOM 0 HB ILE A 5 12.490 -7.690 -9.014 1.00 12.53 H new ATOM 0 HG12 ILE A 5 12.940 -8.657 -6.183 1.00 62.43 H new ATOM 0 HG13 ILE A 5 11.394 -8.005 -6.687 1.00 62.43 H new ATOM 0 HG21 ILE A 5 14.473 -9.080 -8.567 1.00 31.52 H new ATOM 0 HG22 ILE A 5 14.922 -7.411 -8.992 1.00 31.52 H new ATOM 0 HG23 ILE A 5 14.979 -7.943 -7.294 1.00 31.52 H new ATOM 0 HD11 ILE A 5 11.407 -10.448 -6.842 1.00 31.22 H new ATOM 0 HD12 ILE A 5 11.231 -9.720 -8.457 1.00 31.22 H new ATOM 0 HD13 ILE A 5 12.802 -10.383 -7.945 1.00 31.22 H new ATOM 70 N ARG A 6 14.924 -4.908 -8.249 1.00 34.14 N ATOM 71 CA ARG A 6 15.750 -4.079 -9.118 1.00 41.52 C ATOM 72 C ARG A 6 16.234 -4.874 -10.328 1.00 31.32 C ATOM 73 O ARG A 6 16.354 -6.097 -10.272 1.00 14.52 O ATOM 74 CB ARG A 6 16.949 -3.527 -8.344 1.00 30.43 C ATOM 75 CG ARG A 6 16.564 -2.573 -7.224 1.00 22.22 C ATOM 76 CD ARG A 6 16.609 -3.258 -5.868 1.00 30.33 C ATOM 77 NE ARG A 6 17.926 -3.152 -5.245 1.00 51.53 N ATOM 78 CZ ARG A 6 18.401 -2.029 -4.719 1.00 44.12 C ATOM 79 NH1 ARG A 6 17.672 -0.921 -4.741 1.00 51.33 N1+ ATOM 80 NH2 ARG A 6 19.609 -2.011 -4.170 1.00 11.21 N ATOM 0 H ARG A 6 15.372 -5.178 -7.373 1.00 34.14 H new ATOM 0 HA ARG A 6 15.141 -3.247 -9.471 1.00 41.52 H new ATOM 0 HB2 ARG A 6 17.513 -4.359 -7.923 1.00 30.43 H new ATOM 0 HB3 ARG A 6 17.612 -3.011 -9.038 1.00 30.43 H new ATOM 0 HG2 ARG A 6 17.241 -1.719 -7.224 1.00 22.22 H new ATOM 0 HG3 ARG A 6 15.561 -2.185 -7.404 1.00 22.22 H new ATOM 0 HD2 ARG A 6 15.861 -2.813 -5.212 1.00 30.33 H new ATOM 0 HD3 ARG A 6 16.346 -4.310 -5.984 1.00 30.33 H new ATOM 0 HE ARG A 6 18.513 -3.986 -5.212 1.00 51.53 H new ATOM 0 HH11 ARG A 6 16.743 -0.930 -5.163 1.00 51.33 H new ATOM 0 HH12 ARG A 6 18.040 -0.060 -4.336 1.00 51.33 H new ATOM 0 HH21 ARG A 6 20.174 -2.860 -4.152 1.00 11.21 H new ATOM 0 HH22 ARG A 6 19.973 -1.148 -3.766 1.00 11.21 H new ATOM 94 N LYS A 7 16.510 -4.168 -11.419 1.00 12.45 N ATOM 95 CA LYS A 7 16.982 -4.806 -12.643 1.00 74.33 C ATOM 96 C LYS A 7 18.343 -5.458 -12.426 1.00 3.13 C ATOM 97 O LYS A 7 19.167 -4.958 -11.661 1.00 45.21 O ATOM 98 CB LYS A 7 17.071 -3.780 -13.775 1.00 25.23 C ATOM 99 CG LYS A 7 17.794 -4.296 -15.008 1.00 71.33 C ATOM 100 CD LYS A 7 17.809 -3.260 -16.119 1.00 42.04 C ATOM 101 CE LYS A 7 18.504 -1.981 -15.679 1.00 22.14 C ATOM 102 NZ LYS A 7 19.912 -2.229 -15.264 1.00 43.20 N1+ ATOM 0 H LYS A 7 16.415 -3.154 -11.481 1.00 12.45 H new ATOM 0 HA LYS A 7 16.267 -5.581 -12.918 1.00 74.33 H new ATOM 0 HB2 LYS A 7 16.064 -3.474 -14.056 1.00 25.23 H new ATOM 0 HB3 LYS A 7 17.584 -2.891 -13.409 1.00 25.23 H new ATOM 0 HG2 LYS A 7 18.817 -4.564 -14.745 1.00 71.33 H new ATOM 0 HG3 LYS A 7 17.307 -5.205 -15.363 1.00 71.33 H new ATOM 0 HD2 LYS A 7 18.317 -3.669 -16.993 1.00 42.04 H new ATOM 0 HD3 LYS A 7 16.786 -3.034 -16.421 1.00 42.04 H new ATOM 0 HE2 LYS A 7 18.488 -1.260 -16.496 1.00 22.14 H new ATOM 0 HE3 LYS A 7 17.954 -1.536 -14.850 1.00 22.14 H new ATOM 0 HZ1 LYS A 7 20.396 -1.320 -15.118 1.00 43.20 H new ATOM 0 HZ2 LYS A 7 19.922 -2.773 -14.378 1.00 43.20 H new ATOM 0 HZ3 LYS A 7 20.403 -2.767 -16.006 1.00 43.20 H new ATOM 116 N TRP A 8 18.572 -6.577 -13.105 1.00 12.14 N ATOM 117 CA TRP A 8 19.835 -7.297 -12.988 1.00 60.14 C ATOM 118 C TRP A 8 20.158 -7.594 -11.527 1.00 43.13 C ATOM 119 O TRP A 8 21.249 -7.285 -11.047 1.00 71.13 O ATOM 120 CB TRP A 8 20.969 -6.487 -13.618 1.00 3.43 C ATOM 121 CG TRP A 8 21.045 -6.633 -15.109 1.00 52.22 C ATOM 122 CD1 TRP A 8 21.068 -5.626 -16.030 1.00 3.11 C ATOM 123 CD2 TRP A 8 21.108 -7.858 -15.847 1.00 13.05 C ATOM 124 NE1 TRP A 8 21.140 -6.151 -17.298 1.00 62.13 N ATOM 125 CE2 TRP A 8 21.166 -7.519 -17.213 1.00 53.22 C ATOM 126 CE3 TRP A 8 21.121 -9.209 -15.488 1.00 2.53 C ATOM 127 CZ2 TRP A 8 21.236 -8.481 -18.216 1.00 42.03 C ATOM 128 CZ3 TRP A 8 21.190 -10.162 -16.485 1.00 23.11 C ATOM 129 CH2 TRP A 8 21.247 -9.795 -17.836 1.00 64.05 C ATOM 0 H TRP A 8 17.900 -7.005 -13.742 1.00 12.14 H new ATOM 0 HA TRP A 8 19.735 -8.243 -13.520 1.00 60.14 H new ATOM 0 HB2 TRP A 8 20.836 -5.434 -13.369 1.00 3.43 H new ATOM 0 HB3 TRP A 8 21.917 -6.801 -13.180 1.00 3.43 H new ATOM 0 HD1 TRP A 8 21.035 -4.572 -15.797 1.00 3.11 H new ATOM 0 HE1 TRP A 8 21.169 -5.610 -18.162 1.00 62.13 H new ATOM 0 HE3 TRP A 8 21.078 -9.502 -14.449 1.00 2.53 H new ATOM 0 HZ2 TRP A 8 21.280 -8.200 -19.258 1.00 42.03 H new ATOM 0 HZ3 TRP A 8 21.200 -11.209 -16.219 1.00 23.11 H new ATOM 0 HH2 TRP A 8 21.301 -10.564 -18.592 1.00 64.05 H new ATOM 140 N LEU A 9 19.205 -8.196 -10.825 1.00 24.33 N ATOM 141 CA LEU A 9 19.388 -8.535 -9.418 1.00 13.42 C ATOM 142 C LEU A 9 19.273 -10.041 -9.203 1.00 32.14 C ATOM 143 O LEU A 9 20.275 -10.725 -8.989 1.00 32.51 O ATOM 144 CB LEU A 9 18.356 -7.805 -8.558 1.00 64.42 C ATOM 145 CG LEU A 9 18.417 -8.082 -7.056 1.00 13.01 C ATOM 146 CD1 LEU A 9 18.219 -6.797 -6.268 1.00 21.52 C ATOM 147 CD2 LEU A 9 17.373 -9.117 -6.661 1.00 2.10 C ATOM 0 H LEU A 9 18.297 -8.460 -11.207 1.00 24.33 H new ATOM 0 HA LEU A 9 20.388 -8.219 -9.120 1.00 13.42 H new ATOM 0 HB2 LEU A 9 18.475 -6.733 -8.714 1.00 64.42 H new ATOM 0 HB3 LEU A 9 17.361 -8.071 -8.916 1.00 64.42 H new ATOM 0 HG LEU A 9 19.403 -8.481 -6.820 1.00 13.01 H new ATOM 0 HD11 LEU A 9 18.266 -7.014 -5.201 1.00 21.52 H new ATOM 0 HD12 LEU A 9 19.003 -6.086 -6.528 1.00 21.52 H new ATOM 0 HD13 LEU A 9 17.246 -6.369 -6.509 1.00 21.52 H new ATOM 0 HD21 LEU A 9 17.431 -9.302 -5.588 1.00 2.10 H new ATOM 0 HD22 LEU A 9 16.379 -8.746 -6.912 1.00 2.10 H new ATOM 0 HD23 LEU A 9 17.560 -10.046 -7.200 1.00 2.10 H new ATOM 159 N SER A 10 18.047 -10.551 -9.261 1.00 45.25 N ATOM 160 CA SER A 10 17.802 -11.975 -9.070 1.00 64.14 C ATOM 161 C SER A 10 16.330 -12.308 -9.294 1.00 64.00 C ATOM 162 O SER A 10 15.464 -11.897 -8.520 1.00 53.42 O ATOM 163 CB SER A 10 18.225 -12.403 -7.663 1.00 54.12 C ATOM 164 OG SER A 10 19.033 -13.566 -7.705 1.00 65.41 O ATOM 0 H SER A 10 17.208 -9.999 -9.439 1.00 45.25 H new ATOM 0 HA SER A 10 18.396 -12.522 -9.802 1.00 64.14 H new ATOM 0 HB2 SER A 10 18.773 -11.593 -7.182 1.00 54.12 H new ATOM 0 HB3 SER A 10 17.340 -12.593 -7.056 1.00 54.12 H new ATOM 0 HG SER A 10 19.291 -13.818 -6.794 1.00 65.41 H new ATOM 170 N CYS A 11 16.054 -13.055 -10.357 1.00 71.34 N ATOM 171 CA CYS A 11 14.688 -13.444 -10.685 1.00 40.34 C ATOM 172 C CYS A 11 14.305 -14.739 -9.974 1.00 4.42 C ATOM 173 O CYS A 11 13.133 -15.113 -9.932 1.00 25.34 O ATOM 174 CB CYS A 11 14.533 -13.615 -12.198 1.00 32.52 C ATOM 175 SG CYS A 11 12.823 -13.929 -12.739 1.00 22.00 S ATOM 0 H CYS A 11 16.759 -13.403 -11.007 1.00 71.34 H new ATOM 0 HA CYS A 11 14.020 -12.652 -10.345 1.00 40.34 H new ATOM 0 HB2 CYS A 11 14.900 -12.717 -12.694 1.00 32.52 H new ATOM 0 HB3 CYS A 11 15.164 -14.441 -12.526 1.00 32.52 H new ATOM 180 N VAL A 12 15.301 -15.418 -9.416 1.00 1.33 N ATOM 181 CA VAL A 12 15.070 -16.670 -8.705 1.00 2.34 C ATOM 182 C VAL A 12 13.951 -16.521 -7.680 1.00 65.54 C ATOM 183 O VAL A 12 13.241 -17.480 -7.378 1.00 52.14 O ATOM 184 CB VAL A 12 16.346 -17.153 -7.989 1.00 70.43 C ATOM 185 CG1 VAL A 12 17.409 -17.547 -9.002 1.00 73.24 C ATOM 186 CG2 VAL A 12 16.867 -16.079 -7.047 1.00 54.01 C ATOM 0 H VAL A 12 16.277 -15.122 -9.442 1.00 1.33 H new ATOM 0 HA VAL A 12 14.779 -17.409 -9.452 1.00 2.34 H new ATOM 0 HB VAL A 12 16.099 -18.034 -7.397 1.00 70.43 H new ATOM 0 HG11 VAL A 12 18.303 -17.885 -8.478 1.00 73.24 H new ATOM 0 HG12 VAL A 12 17.031 -18.352 -9.632 1.00 73.24 H new ATOM 0 HG13 VAL A 12 17.656 -16.686 -9.623 1.00 73.24 H new ATOM 0 HG21 VAL A 12 17.768 -16.437 -6.550 1.00 54.01 H new ATOM 0 HG22 VAL A 12 17.099 -15.178 -7.615 1.00 54.01 H new ATOM 0 HG23 VAL A 12 16.107 -15.851 -6.300 1.00 54.01 H new ATOM 196 N ASP A 13 13.800 -15.313 -7.149 1.00 50.12 N ATOM 197 CA ASP A 13 12.765 -15.037 -6.159 1.00 21.44 C ATOM 198 C ASP A 13 11.805 -13.962 -6.660 1.00 13.52 C ATOM 199 O ASP A 13 12.221 -12.850 -6.987 1.00 20.24 O ATOM 200 CB ASP A 13 13.399 -14.597 -4.838 1.00 4.14 C ATOM 201 CG ASP A 13 13.800 -15.774 -3.969 1.00 12.14 C ATOM 202 OD1 ASP A 13 14.748 -16.494 -4.348 1.00 63.11 O ATOM 203 OD2 ASP A 13 13.169 -15.972 -2.911 1.00 51.22 O1- ATOM 0 H ASP A 13 14.381 -14.509 -7.387 1.00 50.12 H new ATOM 0 HA ASP A 13 12.200 -15.954 -5.995 1.00 21.44 H new ATOM 0 HB2 ASP A 13 14.277 -13.986 -5.045 1.00 4.14 H new ATOM 0 HB3 ASP A 13 12.695 -13.969 -4.292 1.00 4.14 H new ATOM 208 N ARG A 14 10.523 -14.302 -6.719 1.00 34.15 N ATOM 209 CA ARG A 14 9.504 -13.367 -7.182 1.00 11.34 C ATOM 210 C ARG A 14 9.760 -12.959 -8.630 1.00 1.34 C ATOM 211 O ARG A 14 10.263 -11.868 -8.901 1.00 5.14 O ATOM 212 CB ARG A 14 9.478 -12.125 -6.289 1.00 44.02 C ATOM 213 CG ARG A 14 8.400 -12.168 -5.218 1.00 11.43 C ATOM 214 CD ARG A 14 8.211 -10.809 -4.563 1.00 33.34 C ATOM 215 NE ARG A 14 7.402 -10.894 -3.351 1.00 31.23 N ATOM 216 CZ ARG A 14 6.096 -11.136 -3.353 1.00 33.30 C ATOM 217 NH1 ARG A 14 5.454 -11.316 -4.500 1.00 64.12 N1+ ATOM 218 NH2 ARG A 14 5.428 -11.199 -2.208 1.00 13.11 N ATOM 0 H ARG A 14 10.164 -15.219 -6.452 1.00 34.15 H new ATOM 0 HA ARG A 14 8.536 -13.866 -7.128 1.00 11.34 H new ATOM 0 HB2 ARG A 14 10.450 -12.012 -5.810 1.00 44.02 H new ATOM 0 HB3 ARG A 14 9.325 -11.243 -6.911 1.00 44.02 H new ATOM 0 HG2 ARG A 14 7.459 -12.494 -5.661 1.00 11.43 H new ATOM 0 HG3 ARG A 14 8.668 -12.904 -4.460 1.00 11.43 H new ATOM 0 HD2 ARG A 14 9.185 -10.385 -4.320 1.00 33.34 H new ATOM 0 HD3 ARG A 14 7.735 -10.129 -5.270 1.00 33.34 H new ATOM 0 HE ARG A 14 7.866 -10.760 -2.452 1.00 31.23 H new ATOM 0 HH11 ARG A 14 5.963 -11.269 -5.382 1.00 64.12 H new ATOM 0 HH12 ARG A 14 4.451 -11.502 -4.499 1.00 64.12 H new ATOM 0 HH21 ARG A 14 5.917 -11.061 -1.324 1.00 13.11 H new ATOM 0 HH22 ARG A 14 4.425 -11.385 -2.212 1.00 13.11 H new ATOM 232 N LYS A 15 9.411 -13.843 -9.558 1.00 52.10 N ATOM 233 CA LYS A 15 9.600 -13.576 -10.980 1.00 21.15 C ATOM 234 C LYS A 15 8.446 -12.750 -11.537 1.00 23.41 C ATOM 235 O LYS A 15 8.622 -11.975 -12.476 1.00 3.31 O ATOM 236 CB LYS A 15 9.721 -14.891 -11.754 1.00 22.05 C ATOM 237 CG LYS A 15 8.574 -15.853 -11.502 1.00 60.24 C ATOM 238 CD LYS A 15 8.985 -16.979 -10.568 1.00 23.34 C ATOM 239 CE LYS A 15 9.523 -18.174 -11.339 1.00 43.34 C ATOM 240 NZ LYS A 15 10.885 -17.916 -11.883 1.00 34.55 N1+ ATOM 0 H LYS A 15 8.995 -14.751 -9.351 1.00 52.10 H new ATOM 0 HA LYS A 15 10.521 -13.005 -11.098 1.00 21.15 H new ATOM 0 HB2 LYS A 15 9.772 -14.672 -12.820 1.00 22.05 H new ATOM 0 HB3 LYS A 15 10.658 -15.377 -11.483 1.00 22.05 H new ATOM 0 HG2 LYS A 15 7.732 -15.311 -11.072 1.00 60.24 H new ATOM 0 HG3 LYS A 15 8.234 -16.271 -12.449 1.00 60.24 H new ATOM 0 HD2 LYS A 15 9.746 -16.619 -9.875 1.00 23.34 H new ATOM 0 HD3 LYS A 15 8.128 -17.287 -9.969 1.00 23.34 H new ATOM 0 HE2 LYS A 15 9.552 -19.045 -10.684 1.00 43.34 H new ATOM 0 HE3 LYS A 15 8.844 -18.413 -12.158 1.00 43.34 H new ATOM 0 HZ1 LYS A 15 11.278 -18.799 -12.268 1.00 34.55 H new ATOM 0 HZ2 LYS A 15 10.828 -17.204 -12.639 1.00 34.55 H new ATOM 0 HZ3 LYS A 15 11.502 -17.565 -11.123 1.00 34.55 H new ATOM 254 N ASN A 16 7.265 -12.920 -10.951 1.00 74.22 N ATOM 255 CA ASN A 16 6.082 -12.189 -11.389 1.00 2.32 C ATOM 256 C ASN A 16 6.085 -10.767 -10.835 1.00 61.22 C ATOM 257 O ASN A 16 5.342 -9.905 -11.305 1.00 13.45 O ATOM 258 CB ASN A 16 4.812 -12.917 -10.945 1.00 35.24 C ATOM 259 CG ASN A 16 4.681 -14.289 -11.581 1.00 64.51 C ATOM 260 OD1 ASN A 16 5.410 -15.218 -11.235 1.00 50.32 O ATOM 261 ND2 ASN A 16 3.746 -14.420 -12.515 1.00 31.22 N ATOM 0 H ASN A 16 7.102 -13.558 -10.172 1.00 74.22 H new ATOM 0 HA ASN A 16 6.101 -12.137 -12.478 1.00 2.32 H new ATOM 0 HB2 ASN A 16 4.816 -13.021 -9.860 1.00 35.24 H new ATOM 0 HB3 ASN A 16 3.941 -12.315 -11.204 1.00 35.24 H new ATOM 0 HD21 ASN A 16 3.609 -15.319 -12.977 1.00 31.22 H new ATOM 0 HD22 ASN A 16 3.164 -13.622 -12.770 1.00 31.22 H new ATOM 268 N ASP A 17 6.928 -10.529 -9.836 1.00 63.14 N ATOM 269 CA ASP A 17 7.029 -9.212 -9.219 1.00 4.05 C ATOM 270 C ASP A 17 8.386 -8.578 -9.512 1.00 14.43 C ATOM 271 O ASP A 17 8.932 -7.845 -8.687 1.00 10.22 O ATOM 272 CB ASP A 17 6.815 -9.315 -7.708 1.00 62.44 C ATOM 273 CG ASP A 17 5.380 -9.639 -7.346 1.00 12.13 C ATOM 274 OD1 ASP A 17 5.017 -10.833 -7.373 1.00 64.23 O ATOM 275 OD2 ASP A 17 4.619 -8.698 -7.039 1.00 23.40 O1- ATOM 0 H ASP A 17 7.551 -11.231 -9.437 1.00 63.14 H new ATOM 0 HA ASP A 17 6.252 -8.577 -9.645 1.00 4.05 H new ATOM 0 HB2 ASP A 17 7.471 -10.085 -7.303 1.00 62.44 H new ATOM 0 HB3 ASP A 17 7.101 -8.374 -7.239 1.00 62.44 H new ATOM 280 N CYS A 18 8.926 -8.867 -10.691 1.00 22.14 N ATOM 281 CA CYS A 18 10.219 -8.328 -11.093 1.00 12.03 C ATOM 282 C CYS A 18 10.238 -6.807 -10.962 1.00 12.24 C ATOM 283 O CYS A 18 10.896 -6.257 -10.077 1.00 15.22 O ATOM 284 CB CYS A 18 10.537 -8.730 -12.535 1.00 65.22 C ATOM 285 SG CYS A 18 11.388 -10.334 -12.687 1.00 64.10 S ATOM 0 H CYS A 18 8.487 -9.472 -11.385 1.00 22.14 H new ATOM 0 HA CYS A 18 10.979 -8.743 -10.431 1.00 12.03 H new ATOM 0 HB2 CYS A 18 9.608 -8.768 -13.104 1.00 65.22 H new ATOM 0 HB3 CYS A 18 11.157 -7.957 -12.988 1.00 65.22 H new ATOM 290 N CYS A 19 9.514 -6.133 -11.849 1.00 52.34 N ATOM 291 CA CYS A 19 9.446 -4.677 -11.834 1.00 50.21 C ATOM 292 C CYS A 19 8.583 -4.160 -12.981 1.00 44.05 C ATOM 293 O CYS A 19 7.898 -4.932 -13.650 1.00 61.25 O ATOM 294 CB CYS A 19 10.852 -4.080 -11.931 1.00 45.44 C ATOM 295 SG CYS A 19 11.190 -2.772 -10.708 1.00 3.21 S ATOM 0 H CYS A 19 8.965 -6.573 -12.588 1.00 52.34 H new ATOM 0 HA CYS A 19 8.990 -4.369 -10.893 1.00 50.21 H new ATOM 0 HB2 CYS A 19 11.584 -4.878 -11.805 1.00 45.44 H new ATOM 0 HB3 CYS A 19 10.994 -3.672 -12.932 1.00 45.44 H new ATOM 300 N GLU A 20 8.622 -2.849 -13.199 1.00 0.41 N ATOM 301 CA GLU A 20 7.842 -2.230 -14.265 1.00 21.12 C ATOM 302 C GLU A 20 8.637 -2.188 -15.567 1.00 12.24 C ATOM 303 O GLU A 20 9.637 -1.480 -15.673 1.00 33.41 O ATOM 304 CB GLU A 20 7.424 -0.814 -13.864 1.00 34.22 C ATOM 305 CG GLU A 20 6.520 -0.136 -14.879 1.00 61.45 C ATOM 306 CD GLU A 20 5.896 1.139 -14.346 1.00 22.34 C ATOM 307 OE1 GLU A 20 6.068 1.426 -13.142 1.00 41.52 O ATOM 308 OE2 GLU A 20 5.235 1.849 -15.131 1.00 2.13 O1- ATOM 0 H GLU A 20 9.184 -2.196 -12.653 1.00 0.41 H new ATOM 0 HA GLU A 20 6.949 -2.834 -14.425 1.00 21.12 H new ATOM 0 HB2 GLU A 20 6.911 -0.854 -12.903 1.00 34.22 H new ATOM 0 HB3 GLU A 20 8.318 -0.206 -13.723 1.00 34.22 H new ATOM 0 HG2 GLU A 20 7.095 0.093 -15.776 1.00 61.45 H new ATOM 0 HG3 GLU A 20 5.730 -0.826 -15.175 1.00 61.45 H new ATOM 315 N GLY A 21 8.184 -2.953 -16.556 1.00 40.44 N ATOM 316 CA GLY A 21 8.863 -2.989 -17.837 1.00 52.55 C ATOM 317 C GLY A 21 10.012 -3.977 -17.855 1.00 53.30 C ATOM 318 O GLY A 21 10.902 -3.892 -18.703 1.00 0.22 O ATOM 0 H GLY A 21 7.358 -3.548 -16.492 1.00 40.44 H new ATOM 0 HA2 GLY A 21 8.148 -3.253 -18.617 1.00 52.55 H new ATOM 0 HA3 GLY A 21 9.240 -1.994 -18.074 1.00 52.55 H new ATOM 322 N LEU A 22 9.996 -4.918 -16.918 1.00 13.10 N ATOM 323 CA LEU A 22 11.046 -5.927 -16.828 1.00 41.51 C ATOM 324 C LEU A 22 10.479 -7.326 -17.048 1.00 64.04 C ATOM 325 O LEU A 22 9.274 -7.542 -16.924 1.00 31.15 O ATOM 326 CB LEU A 22 11.737 -5.854 -15.465 1.00 20.40 C ATOM 327 CG LEU A 22 12.572 -4.599 -15.202 1.00 3.03 C ATOM 328 CD1 LEU A 22 13.302 -4.714 -13.874 1.00 13.13 C ATOM 329 CD2 LEU A 22 13.559 -4.369 -16.338 1.00 73.44 C ATOM 0 H LEU A 22 9.267 -5.004 -16.209 1.00 13.10 H new ATOM 0 HA LEU A 22 11.777 -5.724 -17.611 1.00 41.51 H new ATOM 0 HB2 LEU A 22 10.975 -5.928 -14.689 1.00 20.40 H new ATOM 0 HB3 LEU A 22 12.384 -6.725 -15.361 1.00 20.40 H new ATOM 0 HG LEU A 22 11.901 -3.742 -15.151 1.00 3.03 H new ATOM 0 HD11 LEU A 22 13.891 -3.813 -13.703 1.00 13.13 H new ATOM 0 HD12 LEU A 22 12.577 -4.831 -13.069 1.00 13.13 H new ATOM 0 HD13 LEU A 22 13.963 -5.580 -13.896 1.00 13.13 H new ATOM 0 HD21 LEU A 22 14.145 -3.472 -16.135 1.00 73.44 H new ATOM 0 HD22 LEU A 22 14.226 -5.227 -16.420 1.00 73.44 H new ATOM 0 HD23 LEU A 22 13.014 -4.242 -17.273 1.00 73.44 H new ATOM 341 N GLU A 23 11.355 -8.270 -17.374 1.00 73.11 N ATOM 342 CA GLU A 23 10.939 -9.648 -17.609 1.00 72.50 C ATOM 343 C GLU A 23 12.080 -10.618 -17.316 1.00 73.15 C ATOM 344 O GLU A 23 13.227 -10.379 -17.695 1.00 53.25 O ATOM 345 CB GLU A 23 10.467 -9.821 -19.055 1.00 42.13 C ATOM 346 CG GLU A 23 11.601 -9.842 -20.067 1.00 54.44 C ATOM 347 CD GLU A 23 11.109 -10.021 -21.490 1.00 41.24 C ATOM 348 OE1 GLU A 23 9.887 -10.197 -21.677 1.00 33.22 O1- ATOM 349 OE2 GLU A 23 11.946 -9.986 -22.416 1.00 62.21 O ATOM 0 H GLU A 23 12.356 -8.107 -17.481 1.00 73.11 H new ATOM 0 HA GLU A 23 10.113 -9.872 -16.934 1.00 72.50 H new ATOM 0 HB2 GLU A 23 9.902 -10.750 -19.135 1.00 42.13 H new ATOM 0 HB3 GLU A 23 9.783 -9.010 -19.305 1.00 42.13 H new ATOM 0 HG2 GLU A 23 12.164 -8.911 -19.996 1.00 54.44 H new ATOM 0 HG3 GLU A 23 12.289 -10.651 -19.820 1.00 54.44 H new ATOM 356 N CYS A 24 11.757 -11.714 -16.637 1.00 3.15 N ATOM 357 CA CYS A 24 12.753 -12.720 -16.289 1.00 43.32 C ATOM 358 C CYS A 24 13.528 -13.167 -17.525 1.00 13.33 C ATOM 359 O CYS A 24 12.962 -13.310 -18.608 1.00 71.04 O ATOM 360 CB CYS A 24 12.081 -13.927 -15.632 1.00 63.05 C ATOM 361 SG CYS A 24 13.144 -14.822 -14.455 1.00 51.21 S ATOM 0 H CYS A 24 10.812 -11.928 -16.317 1.00 3.15 H new ATOM 0 HA CYS A 24 13.453 -12.273 -15.583 1.00 43.32 H new ATOM 0 HB2 CYS A 24 11.184 -13.591 -15.112 1.00 63.05 H new ATOM 0 HB3 CYS A 24 11.758 -14.618 -16.411 1.00 63.05 H new ATOM 366 N TYR A 25 14.827 -13.385 -17.354 1.00 42.15 N ATOM 367 CA TYR A 25 15.682 -13.813 -18.455 1.00 43.13 C ATOM 368 C TYR A 25 16.032 -15.293 -18.330 1.00 24.34 C ATOM 369 O TYR A 25 15.877 -15.892 -17.266 1.00 2.23 O ATOM 370 CB TYR A 25 16.962 -12.976 -18.490 1.00 24.23 C ATOM 371 CG TYR A 25 17.715 -13.074 -19.797 1.00 72.44 C ATOM 372 CD1 TYR A 25 17.134 -12.659 -20.989 1.00 1.13 C ATOM 373 CD2 TYR A 25 19.007 -13.582 -19.841 1.00 73.43 C ATOM 374 CE1 TYR A 25 17.818 -12.749 -22.186 1.00 40.22 C ATOM 375 CE2 TYR A 25 19.700 -13.674 -21.033 1.00 20.10 C ATOM 376 CZ TYR A 25 19.100 -13.257 -22.203 1.00 72.10 C ATOM 377 OH TYR A 25 19.785 -13.346 -23.393 1.00 42.01 O ATOM 0 H TYR A 25 15.311 -13.272 -16.463 1.00 42.15 H new ATOM 0 HA TYR A 25 15.134 -13.665 -19.385 1.00 43.13 H new ATOM 0 HB2 TYR A 25 16.709 -11.932 -18.304 1.00 24.23 H new ATOM 0 HB3 TYR A 25 17.617 -13.295 -17.679 1.00 24.23 H new ATOM 0 HD1 TYR A 25 16.131 -12.259 -20.980 1.00 1.13 H new ATOM 0 HD2 TYR A 25 19.479 -13.911 -18.927 1.00 73.43 H new ATOM 0 HE1 TYR A 25 17.351 -12.423 -23.104 1.00 40.22 H new ATOM 0 HE2 TYR A 25 20.705 -14.070 -21.048 1.00 20.10 H new ATOM 0 HH TYR A 25 20.675 -13.724 -23.231 1.00 42.01 H new ATOM 387 N LYS A 26 16.506 -15.876 -19.426 1.00 24.35 N ATOM 388 CA LYS A 26 16.881 -17.286 -19.441 1.00 34.53 C ATOM 389 C LYS A 26 18.398 -17.445 -19.450 1.00 64.11 C ATOM 390 O LYS A 26 19.108 -16.688 -20.112 1.00 12.35 O ATOM 391 CB LYS A 26 16.278 -17.981 -20.663 1.00 44.31 C ATOM 392 CG LYS A 26 16.778 -19.401 -20.864 1.00 35.50 C ATOM 393 CD LYS A 26 17.931 -19.453 -21.853 1.00 15.23 C ATOM 394 CE LYS A 26 18.885 -20.593 -21.538 1.00 24.30 C ATOM 395 NZ LYS A 26 18.532 -21.834 -22.284 1.00 45.14 N1+ ATOM 0 H LYS A 26 16.640 -15.395 -20.315 1.00 24.35 H new ATOM 0 HA LYS A 26 16.490 -17.751 -18.536 1.00 34.53 H new ATOM 0 HB2 LYS A 26 15.193 -17.998 -20.562 1.00 44.31 H new ATOM 0 HB3 LYS A 26 16.506 -17.395 -21.553 1.00 44.31 H new ATOM 0 HG2 LYS A 26 17.099 -19.813 -19.907 1.00 35.50 H new ATOM 0 HG3 LYS A 26 15.961 -20.028 -21.223 1.00 35.50 H new ATOM 0 HD2 LYS A 26 17.540 -19.573 -22.863 1.00 15.23 H new ATOM 0 HD3 LYS A 26 18.473 -18.507 -21.832 1.00 15.23 H new ATOM 0 HE2 LYS A 26 19.903 -20.295 -21.790 1.00 24.30 H new ATOM 0 HE3 LYS A 26 18.868 -20.796 -20.467 1.00 24.30 H new ATOM 0 HZ1 LYS A 26 19.206 -22.588 -22.042 1.00 45.14 H new ATOM 0 HZ2 LYS A 26 17.570 -22.133 -22.025 1.00 45.14 H new ATOM 0 HZ3 LYS A 26 18.573 -21.648 -23.306 1.00 45.14 H new ATOM 409 N ARG A 27 18.888 -18.435 -18.710 1.00 13.42 N ATOM 410 CA ARG A 27 20.320 -18.693 -18.633 1.00 2.22 C ATOM 411 C ARG A 27 20.604 -20.192 -18.642 1.00 13.11 C ATOM 412 O ARG A 27 19.732 -21.001 -18.321 1.00 42.10 O ATOM 413 CB ARG A 27 20.907 -18.060 -17.370 1.00 75.21 C ATOM 414 CG ARG A 27 21.382 -16.630 -17.569 1.00 55.10 C ATOM 415 CD ARG A 27 22.794 -16.583 -18.130 1.00 52.24 C ATOM 416 NE ARG A 27 22.804 -16.622 -19.590 1.00 31.33 N ATOM 417 CZ ARG A 27 23.904 -16.480 -20.320 1.00 45.33 C ATOM 418 NH1 ARG A 27 25.077 -16.292 -19.730 1.00 21.44 N1+ ATOM 419 NH2 ARG A 27 23.833 -16.528 -21.645 1.00 63.22 N ATOM 0 H ARG A 27 18.314 -19.071 -18.156 1.00 13.42 H new ATOM 0 HA ARG A 27 20.791 -18.246 -19.508 1.00 2.22 H new ATOM 0 HB2 ARG A 27 20.154 -18.077 -16.582 1.00 75.21 H new ATOM 0 HB3 ARG A 27 21.744 -18.667 -17.025 1.00 75.21 H new ATOM 0 HG2 ARG A 27 20.703 -16.111 -18.246 1.00 55.10 H new ATOM 0 HG3 ARG A 27 21.350 -16.099 -16.617 1.00 55.10 H new ATOM 0 HD2 ARG A 27 23.290 -15.675 -17.788 1.00 52.24 H new ATOM 0 HD3 ARG A 27 23.367 -17.425 -17.741 1.00 52.24 H new ATOM 0 HE ARG A 27 21.918 -16.766 -20.075 1.00 31.33 H new ATOM 0 HH11 ARG A 27 25.136 -16.256 -18.712 1.00 21.44 H new ATOM 0 HH12 ARG A 27 25.920 -16.183 -20.294 1.00 21.44 H new ATOM 0 HH21 ARG A 27 22.933 -16.674 -22.103 1.00 63.22 H new ATOM 0 HH22 ARG A 27 24.678 -16.419 -22.205 1.00 63.22 H new ATOM 433 N ARG A 28 21.828 -20.556 -19.011 1.00 43.11 N ATOM 434 CA ARG A 28 22.226 -21.958 -19.063 1.00 2.52 C ATOM 435 C ARG A 28 22.405 -22.525 -17.659 1.00 22.11 C ATOM 436 O ARG A 28 21.617 -23.357 -17.208 1.00 62.24 O ATOM 437 CB ARG A 28 23.523 -22.112 -19.858 1.00 42.41 C ATOM 438 CG ARG A 28 23.336 -21.993 -21.361 1.00 2.52 C ATOM 439 CD ARG A 28 23.203 -20.541 -21.793 1.00 0.40 C ATOM 440 NE ARG A 28 23.172 -20.402 -23.246 1.00 0.25 N ATOM 441 CZ ARG A 28 24.257 -20.442 -24.013 1.00 3.54 C ATOM 442 NH1 ARG A 28 25.452 -20.614 -23.466 1.00 52.00 N1+ ATOM 443 NH2 ARG A 28 24.147 -20.308 -25.328 1.00 73.13 N ATOM 0 H ARG A 28 22.561 -19.899 -19.278 1.00 43.11 H new ATOM 0 HA ARG A 28 21.434 -22.517 -19.562 1.00 2.52 H new ATOM 0 HB2 ARG A 28 24.233 -21.354 -19.528 1.00 42.41 H new ATOM 0 HB3 ARG A 28 23.965 -23.082 -19.631 1.00 42.41 H new ATOM 0 HG2 ARG A 28 24.184 -22.449 -21.871 1.00 2.52 H new ATOM 0 HG3 ARG A 28 22.447 -22.546 -21.663 1.00 2.52 H new ATOM 0 HD2 ARG A 28 22.292 -20.119 -21.369 1.00 0.40 H new ATOM 0 HD3 ARG A 28 24.037 -19.966 -21.392 1.00 0.40 H new ATOM 0 HE ARG A 28 22.268 -20.267 -23.698 1.00 0.25 H new ATOM 0 HH11 ARG A 28 25.540 -20.716 -22.455 1.00 52.00 H new ATOM 0 HH12 ARG A 28 26.283 -20.644 -24.056 1.00 52.00 H new ATOM 0 HH21 ARG A 28 23.229 -20.174 -25.752 1.00 73.13 H new ATOM 0 HH22 ARG A 28 24.980 -20.339 -25.915 1.00 73.13 H new ATOM 457 N HIS A 29 23.447 -22.069 -16.971 1.00 34.43 N ATOM 458 CA HIS A 29 23.730 -22.531 -15.616 1.00 5.34 C ATOM 459 C HIS A 29 23.860 -21.352 -14.656 1.00 60.13 C ATOM 460 O HIS A 29 24.549 -21.439 -13.640 1.00 45.11 O ATOM 461 CB HIS A 29 25.014 -23.362 -15.596 1.00 0.11 C ATOM 462 CG HIS A 29 26.141 -22.742 -16.363 1.00 24.13 C ATOM 463 ND1 HIS A 29 27.232 -22.158 -15.756 1.00 73.30 N ATOM 464 CD2 HIS A 29 26.344 -22.618 -17.695 1.00 14.44 C ATOM 465 CE1 HIS A 29 28.056 -21.700 -16.681 1.00 50.01 C ATOM 466 NE2 HIS A 29 27.541 -21.967 -17.867 1.00 1.05 N ATOM 0 H HIS A 29 24.109 -21.381 -17.329 1.00 34.43 H new ATOM 0 HA HIS A 29 22.897 -23.153 -15.290 1.00 5.34 H new ATOM 0 HB2 HIS A 29 25.326 -23.508 -14.562 1.00 0.11 H new ATOM 0 HB3 HIS A 29 24.805 -24.349 -16.008 1.00 0.11 H new ATOM 0 HD2 HIS A 29 25.687 -22.966 -18.478 1.00 14.44 H new ATOM 0 HE1 HIS A 29 28.992 -21.193 -16.498 1.00 50.01 H new ATOM 0 HE2 HIS A 29 27.963 -21.729 -18.764 1.00 1.05 H new ATOM 474 N SER A 30 23.193 -20.251 -14.986 1.00 51.21 N ATOM 475 CA SER A 30 23.235 -19.053 -14.155 1.00 2.20 C ATOM 476 C SER A 30 21.841 -18.685 -13.660 1.00 21.10 C ATOM 477 O SER A 30 20.861 -18.781 -14.399 1.00 1.23 O ATOM 478 CB SER A 30 23.835 -17.884 -14.940 1.00 61.21 C ATOM 479 OG SER A 30 24.373 -16.906 -14.067 1.00 2.24 O ATOM 0 H SER A 30 22.617 -20.163 -15.823 1.00 51.21 H new ATOM 0 HA SER A 30 23.864 -19.263 -13.290 1.00 2.20 H new ATOM 0 HB2 SER A 30 24.616 -18.252 -15.605 1.00 61.21 H new ATOM 0 HB3 SER A 30 23.068 -17.432 -15.569 1.00 61.21 H new ATOM 0 HG SER A 30 24.752 -16.171 -14.593 1.00 2.24 H new ATOM 485 N PHE A 31 21.759 -18.263 -12.402 1.00 74.44 N ATOM 486 CA PHE A 31 20.485 -17.881 -11.805 1.00 15.34 C ATOM 487 C PHE A 31 19.749 -16.879 -12.690 1.00 41.21 C ATOM 488 O PHE A 31 20.325 -15.887 -13.132 1.00 41.32 O ATOM 489 CB PHE A 31 20.708 -17.283 -10.414 1.00 25.20 C ATOM 490 CG PHE A 31 21.603 -16.077 -10.416 1.00 42.32 C ATOM 491 CD1 PHE A 31 22.979 -16.220 -10.345 1.00 55.24 C ATOM 492 CD2 PHE A 31 21.069 -14.801 -10.489 1.00 32.25 C ATOM 493 CE1 PHE A 31 23.806 -15.113 -10.346 1.00 41.41 C ATOM 494 CE2 PHE A 31 21.891 -13.689 -10.490 1.00 32.13 C ATOM 495 CZ PHE A 31 23.261 -13.846 -10.420 1.00 42.13 C ATOM 0 H PHE A 31 22.560 -18.177 -11.777 1.00 74.44 H new ATOM 0 HA PHE A 31 19.872 -18.777 -11.713 1.00 15.34 H new ATOM 0 HB2 PHE A 31 19.744 -17.009 -9.986 1.00 25.20 H new ATOM 0 HB3 PHE A 31 21.140 -18.045 -9.765 1.00 25.20 H new ATOM 0 HD1 PHE A 31 23.411 -17.208 -10.288 1.00 55.24 H new ATOM 0 HD2 PHE A 31 19.998 -14.673 -10.546 1.00 32.25 H new ATOM 0 HE1 PHE A 31 24.877 -15.238 -10.289 1.00 41.41 H new ATOM 0 HE2 PHE A 31 21.462 -12.699 -10.545 1.00 32.13 H new ATOM 0 HZ PHE A 31 23.906 -12.979 -10.423 1.00 42.13 H new ATOM 505 N GLU A 32 18.472 -17.148 -12.942 1.00 14.44 N ATOM 506 CA GLU A 32 17.657 -16.271 -13.774 1.00 22.14 C ATOM 507 C GLU A 32 17.540 -14.883 -13.150 1.00 51.44 C ATOM 508 O GLU A 32 17.543 -14.737 -11.928 1.00 63.24 O ATOM 509 CB GLU A 32 16.264 -16.870 -13.975 1.00 52.23 C ATOM 510 CG GLU A 32 16.282 -18.353 -14.311 1.00 22.11 C ATOM 511 CD GLU A 32 17.208 -18.677 -15.467 1.00 4.05 C ATOM 512 OE1 GLU A 32 17.389 -17.806 -16.344 1.00 42.42 O ATOM 513 OE2 GLU A 32 17.750 -19.801 -15.495 1.00 23.41 O1- ATOM 0 H GLU A 32 17.980 -17.966 -12.582 1.00 14.44 H new ATOM 0 HA GLU A 32 18.147 -16.175 -14.743 1.00 22.14 H new ATOM 0 HB2 GLU A 32 15.678 -16.718 -13.068 1.00 52.23 H new ATOM 0 HB3 GLU A 32 15.758 -16.331 -14.776 1.00 52.23 H new ATOM 0 HG2 GLU A 32 16.593 -18.917 -13.432 1.00 22.11 H new ATOM 0 HG3 GLU A 32 15.271 -18.678 -14.558 1.00 22.11 H new ATOM 520 N VAL A 33 17.436 -13.865 -13.999 1.00 62.34 N ATOM 521 CA VAL A 33 17.318 -12.489 -13.532 1.00 22.01 C ATOM 522 C VAL A 33 16.483 -11.652 -14.495 1.00 53.22 C ATOM 523 O VAL A 33 16.460 -11.910 -15.699 1.00 65.03 O ATOM 524 CB VAL A 33 18.701 -11.832 -13.364 1.00 32.31 C ATOM 525 CG1 VAL A 33 18.559 -10.429 -12.792 1.00 3.23 C ATOM 526 CG2 VAL A 33 19.593 -12.690 -12.480 1.00 64.44 C ATOM 0 H VAL A 33 17.431 -13.968 -15.014 1.00 62.34 H new ATOM 0 HA VAL A 33 16.822 -12.525 -12.562 1.00 22.01 H new ATOM 0 HB VAL A 33 19.169 -11.753 -14.345 1.00 32.31 H new ATOM 0 HG11 VAL A 33 19.546 -9.980 -12.680 1.00 3.23 H new ATOM 0 HG12 VAL A 33 17.958 -9.820 -13.467 1.00 3.23 H new ATOM 0 HG13 VAL A 33 18.071 -10.481 -11.819 1.00 3.23 H new ATOM 0 HG21 VAL A 33 20.566 -12.211 -12.372 1.00 64.44 H new ATOM 0 HG22 VAL A 33 19.133 -12.802 -11.498 1.00 64.44 H new ATOM 0 HG23 VAL A 33 19.720 -13.672 -12.936 1.00 64.44 H new ATOM 536 N CYS A 34 15.798 -10.648 -13.958 1.00 44.23 N ATOM 537 CA CYS A 34 14.962 -9.771 -14.769 1.00 2.34 C ATOM 538 C CYS A 34 15.815 -8.910 -15.696 1.00 74.42 C ATOM 539 O CYS A 34 16.942 -8.546 -15.360 1.00 63.45 O ATOM 540 CB CYS A 34 14.103 -8.878 -13.871 1.00 12.11 C ATOM 541 SG CYS A 34 13.256 -9.769 -12.526 1.00 33.54 S ATOM 0 H CYS A 34 15.806 -10.421 -12.964 1.00 44.23 H new ATOM 0 HA CYS A 34 14.310 -10.395 -15.380 1.00 2.34 H new ATOM 0 HB2 CYS A 34 14.735 -8.103 -13.437 1.00 12.11 H new ATOM 0 HB3 CYS A 34 13.356 -8.374 -14.485 1.00 12.11 H new ATOM 546 N VAL A 35 15.268 -8.588 -16.863 1.00 52.22 N ATOM 547 CA VAL A 35 15.977 -7.768 -17.838 1.00 73.22 C ATOM 548 C VAL A 35 15.047 -6.741 -18.474 1.00 34.14 C ATOM 549 O VAL A 35 13.828 -6.913 -18.515 1.00 74.20 O ATOM 550 CB VAL A 35 16.603 -8.633 -18.948 1.00 22.11 C ATOM 551 CG1 VAL A 35 17.874 -9.304 -18.450 1.00 55.34 C ATOM 552 CG2 VAL A 35 15.604 -9.666 -19.446 1.00 13.23 C ATOM 0 H VAL A 35 14.336 -8.882 -17.157 1.00 52.22 H new ATOM 0 HA VAL A 35 16.770 -7.250 -17.299 1.00 73.22 H new ATOM 0 HB VAL A 35 16.867 -7.985 -19.784 1.00 22.11 H new ATOM 0 HG11 VAL A 35 18.302 -9.911 -19.248 1.00 55.34 H new ATOM 0 HG12 VAL A 35 18.593 -8.543 -18.148 1.00 55.34 H new ATOM 0 HG13 VAL A 35 17.639 -9.940 -17.597 1.00 55.34 H new ATOM 0 HG21 VAL A 35 16.063 -10.268 -20.230 1.00 13.23 H new ATOM 0 HG22 VAL A 35 15.306 -10.312 -18.620 1.00 13.23 H new ATOM 0 HG23 VAL A 35 14.725 -9.159 -19.846 1.00 13.23 H new ATOM 562 N PRO A 36 15.632 -5.647 -18.982 1.00 14.42 N ATOM 563 CA PRO A 36 14.873 -4.571 -19.627 1.00 15.12 C ATOM 564 C PRO A 36 14.285 -4.998 -20.967 1.00 33.54 C ATOM 565 O PRO A 36 15.016 -5.354 -21.892 1.00 61.25 O ATOM 566 CB PRO A 36 15.919 -3.471 -19.828 1.00 24.35 C ATOM 567 CG PRO A 36 17.221 -4.193 -19.885 1.00 33.43 C ATOM 568 CD PRO A 36 17.079 -5.376 -18.968 1.00 44.32 C ATOM 0 HA PRO A 36 14.017 -4.261 -19.028 1.00 15.12 H new ATOM 0 HB2 PRO A 36 15.735 -2.913 -20.746 1.00 24.35 H new ATOM 0 HB3 PRO A 36 15.900 -2.752 -19.009 1.00 24.35 H new ATOM 0 HG2 PRO A 36 17.446 -4.513 -20.903 1.00 33.43 H new ATOM 0 HG3 PRO A 36 18.039 -3.548 -19.566 1.00 33.43 H new ATOM 0 HD2 PRO A 36 17.652 -6.232 -19.325 1.00 44.32 H new ATOM 0 HD3 PRO A 36 17.436 -5.151 -17.963 1.00 44.32 H new ATOM 576 N ILE A 37 12.960 -4.959 -21.066 1.00 43.04 N ATOM 577 CA ILE A 37 12.274 -5.341 -22.294 1.00 30.13 C ATOM 578 C ILE A 37 12.480 -4.297 -23.386 1.00 62.14 C ATOM 579 O ILE A 37 12.194 -3.113 -23.209 1.00 13.55 O ATOM 580 CB ILE A 37 10.765 -5.531 -22.060 1.00 53.44 C ATOM 581 CG1 ILE A 37 10.520 -6.645 -21.039 1.00 32.33 C ATOM 582 CG2 ILE A 37 10.060 -5.845 -23.371 1.00 52.54 C ATOM 583 CD1 ILE A 37 9.295 -6.421 -20.181 1.00 30.21 C ATOM 0 H ILE A 37 12.340 -4.667 -20.310 1.00 43.04 H new ATOM 0 HA ILE A 37 12.706 -6.289 -22.615 1.00 30.13 H new ATOM 0 HB ILE A 37 10.356 -4.602 -21.663 1.00 53.44 H new ATOM 0 HG12 ILE A 37 10.416 -7.593 -21.566 1.00 32.33 H new ATOM 0 HG13 ILE A 37 11.394 -6.734 -20.394 1.00 32.33 H new ATOM 0 HG21 ILE A 37 8.994 -5.977 -23.188 1.00 52.54 H new ATOM 0 HG22 ILE A 37 10.210 -5.023 -24.071 1.00 52.54 H new ATOM 0 HG23 ILE A 37 10.471 -6.761 -23.795 1.00 52.54 H new ATOM 0 HD11 ILE A 37 9.184 -7.250 -19.481 1.00 30.21 H new ATOM 0 HD12 ILE A 37 9.405 -5.489 -19.626 1.00 30.21 H new ATOM 0 HD13 ILE A 37 8.411 -6.362 -20.817 1.00 30.21 H new ATOM 595 N PRO A 38 12.988 -4.745 -24.543 1.00 44.01 N ATOM 596 CA PRO A 38 13.242 -3.865 -25.688 1.00 45.20 C ATOM 597 C PRO A 38 11.953 -3.367 -26.333 1.00 54.33 C ATOM 598 O PRO A 38 11.114 -4.159 -26.761 1.00 60.25 O ATOM 599 CB PRO A 38 14.014 -4.761 -26.660 1.00 73.53 C ATOM 600 CG PRO A 38 13.597 -6.148 -26.308 1.00 4.32 C ATOM 601 CD PRO A 38 13.354 -6.143 -24.825 1.00 74.43 C ATOM 0 HA PRO A 38 13.782 -2.964 -25.397 1.00 45.20 H new ATOM 0 HB2 PRO A 38 13.770 -4.525 -27.696 1.00 73.53 H new ATOM 0 HB3 PRO A 38 15.090 -4.631 -26.549 1.00 73.53 H new ATOM 0 HG2 PRO A 38 12.696 -6.434 -26.850 1.00 4.32 H new ATOM 0 HG3 PRO A 38 14.371 -6.868 -26.574 1.00 4.32 H new ATOM 0 HD2 PRO A 38 12.556 -6.831 -24.546 1.00 74.43 H new ATOM 0 HD3 PRO A 38 14.243 -6.445 -24.271 1.00 74.43 H new ATOM 609 N GLY A 39 11.802 -2.047 -26.401 1.00 4.32 N ATOM 610 CA GLY A 39 10.612 -1.466 -26.996 1.00 65.10 C ATOM 611 C GLY A 39 9.466 -1.359 -26.011 1.00 13.00 C ATOM 612 O GLY A 39 8.327 -1.097 -26.398 1.00 24.44 O ATOM 0 H GLY A 39 12.482 -1.370 -26.055 1.00 4.32 H new ATOM 0 HA2 GLY A 39 10.849 -0.475 -27.382 1.00 65.10 H new ATOM 0 HA3 GLY A 39 10.301 -2.073 -27.846 1.00 65.10 H new ATOM 616 N PHE A 40 9.764 -1.563 -24.732 1.00 1.42 N ATOM 617 CA PHE A 40 8.748 -1.491 -23.688 1.00 63.23 C ATOM 618 C PHE A 40 8.129 -0.097 -23.627 1.00 75.24 C ATOM 619 O PHE A 40 8.802 0.904 -23.873 1.00 4.41 O ATOM 620 CB PHE A 40 9.355 -1.852 -22.331 1.00 21.42 C ATOM 621 CG PHE A 40 8.516 -1.416 -21.164 1.00 11.33 C ATOM 622 CD1 PHE A 40 7.309 -2.037 -20.890 1.00 4.14 C ATOM 623 CD2 PHE A 40 8.934 -0.382 -20.341 1.00 44.51 C ATOM 624 CE1 PHE A 40 6.534 -1.637 -19.818 1.00 25.44 C ATOM 625 CE2 PHE A 40 8.165 0.022 -19.267 1.00 1.00 C ATOM 626 CZ PHE A 40 6.963 -0.606 -19.004 1.00 62.30 C ATOM 0 H PHE A 40 10.701 -1.780 -24.393 1.00 1.42 H new ATOM 0 HA PHE A 40 7.963 -2.208 -23.929 1.00 63.23 H new ATOM 0 HB2 PHE A 40 9.499 -2.931 -22.282 1.00 21.42 H new ATOM 0 HB3 PHE A 40 10.341 -1.395 -22.250 1.00 21.42 H new ATOM 0 HD1 PHE A 40 6.969 -2.844 -21.522 1.00 4.14 H new ATOM 0 HD2 PHE A 40 9.872 0.114 -20.542 1.00 44.51 H new ATOM 0 HE1 PHE A 40 5.594 -2.130 -19.617 1.00 25.44 H new ATOM 0 HE2 PHE A 40 8.503 0.828 -18.633 1.00 1.00 H new ATOM 0 HZ PHE A 40 6.360 -0.292 -18.165 1.00 62.30 H new ATOM 636 N CYS A 41 6.843 -0.042 -23.298 1.00 41.12 N ATOM 637 CA CYS A 41 6.132 1.228 -23.206 1.00 52.51 C ATOM 638 C CYS A 41 4.945 1.118 -22.252 1.00 43.12 C ATOM 639 O CYS A 41 4.796 0.123 -21.541 1.00 21.44 O ATOM 640 CB CYS A 41 5.650 1.669 -24.589 1.00 65.44 C ATOM 641 SG CYS A 41 4.299 0.650 -25.265 1.00 51.34 S ATOM 0 H CYS A 41 6.272 -0.861 -23.091 1.00 41.12 H new ATOM 0 HA CYS A 41 6.823 1.975 -22.815 1.00 52.51 H new ATOM 0 HB2 CYS A 41 5.316 2.705 -24.532 1.00 65.44 H new ATOM 0 HB3 CYS A 41 6.492 1.643 -25.281 1.00 65.44 H new ATOM 646 N LEU A 42 4.103 2.144 -22.244 1.00 12.45 N ATOM 647 CA LEU A 42 2.928 2.164 -21.379 1.00 22.41 C ATOM 648 C LEU A 42 1.667 2.466 -22.182 1.00 51.03 C ATOM 649 O LEU A 42 1.738 2.870 -23.342 1.00 23.33 O ATOM 650 CB LEU A 42 3.104 3.204 -20.272 1.00 3.12 C ATOM 651 CG LEU A 42 4.489 3.274 -19.629 1.00 35.22 C ATOM 652 CD1 LEU A 42 4.606 4.505 -18.743 1.00 14.43 C ATOM 653 CD2 LEU A 42 4.770 2.010 -18.830 1.00 64.35 C ATOM 0 H LEU A 42 4.211 2.974 -22.827 1.00 12.45 H new ATOM 0 HA LEU A 42 2.821 1.177 -20.928 1.00 22.41 H new ATOM 0 HB2 LEU A 42 2.866 4.185 -20.682 1.00 3.12 H new ATOM 0 HB3 LEU A 42 2.373 3.000 -19.490 1.00 3.12 H new ATOM 0 HG LEU A 42 5.233 3.352 -20.422 1.00 35.22 H new ATOM 0 HD11 LEU A 42 5.599 4.537 -18.294 1.00 14.43 H new ATOM 0 HD12 LEU A 42 4.450 5.401 -19.343 1.00 14.43 H new ATOM 0 HD13 LEU A 42 3.853 4.460 -17.956 1.00 14.43 H new ATOM 0 HD21 LEU A 42 5.760 2.077 -18.379 1.00 64.35 H new ATOM 0 HD22 LEU A 42 4.021 1.901 -18.046 1.00 64.35 H new ATOM 0 HD23 LEU A 42 4.731 1.145 -19.492 1.00 64.35 H new ATOM 665 N VAL A 43 0.511 2.269 -21.554 1.00 43.30 N ATOM 666 CA VAL A 43 -0.767 2.523 -22.207 1.00 31.01 C ATOM 667 C VAL A 43 -1.465 3.733 -21.598 1.00 54.02 C ATOM 668 O VAL A 43 -0.908 4.419 -20.741 1.00 1.44 O ATOM 669 CB VAL A 43 -1.701 1.301 -22.108 1.00 21.11 C ATOM 670 CG1 VAL A 43 -1.159 0.146 -22.935 1.00 24.03 C ATOM 671 CG2 VAL A 43 -1.883 0.889 -20.656 1.00 2.01 C ATOM 0 H VAL A 43 0.434 1.934 -20.594 1.00 43.30 H new ATOM 0 HA VAL A 43 -0.552 2.722 -23.257 1.00 31.01 H new ATOM 0 HB VAL A 43 -2.676 1.576 -22.510 1.00 21.11 H new ATOM 0 HG11 VAL A 43 -1.832 -0.708 -22.853 1.00 24.03 H new ATOM 0 HG12 VAL A 43 -1.084 0.450 -23.979 1.00 24.03 H new ATOM 0 HG13 VAL A 43 -0.172 -0.133 -22.567 1.00 24.03 H new ATOM 0 HG21 VAL A 43 -2.545 0.025 -20.603 1.00 2.01 H new ATOM 0 HG22 VAL A 43 -0.915 0.631 -20.227 1.00 2.01 H new ATOM 0 HG23 VAL A 43 -2.320 1.715 -20.095 1.00 2.01 H new ATOM 681 N LYS A 44 -2.689 3.991 -22.046 1.00 2.34 N ATOM 682 CA LYS A 44 -3.466 5.119 -21.545 1.00 53.21 C ATOM 683 C LYS A 44 -4.115 4.780 -20.207 1.00 52.14 C ATOM 684 O LYS A 44 -4.856 5.587 -19.644 1.00 22.22 O ATOM 685 CB LYS A 44 -4.540 5.516 -22.560 1.00 61.32 C ATOM 686 CG LYS A 44 -5.635 4.477 -22.723 1.00 71.24 C ATOM 687 CD LYS A 44 -5.772 4.033 -24.171 1.00 71.12 C ATOM 688 CE LYS A 44 -6.279 2.603 -24.271 1.00 11.52 C ATOM 689 NZ LYS A 44 -5.213 1.666 -24.720 1.00 43.31 N1+ ATOM 0 H LYS A 44 -3.165 3.434 -22.756 1.00 2.34 H new ATOM 0 HA LYS A 44 -2.787 5.959 -21.397 1.00 53.21 H new ATOM 0 HB2 LYS A 44 -4.989 6.460 -22.251 1.00 61.32 H new ATOM 0 HB3 LYS A 44 -4.068 5.689 -23.527 1.00 61.32 H new ATOM 0 HG2 LYS A 44 -5.414 3.613 -22.096 1.00 71.24 H new ATOM 0 HG3 LYS A 44 -6.583 4.889 -22.376 1.00 71.24 H new ATOM 0 HD2 LYS A 44 -6.457 4.700 -24.694 1.00 71.12 H new ATOM 0 HD3 LYS A 44 -4.806 4.113 -24.670 1.00 71.12 H new ATOM 0 HE2 LYS A 44 -6.658 2.283 -23.300 1.00 11.52 H new ATOM 0 HE3 LYS A 44 -7.115 2.562 -24.969 1.00 11.52 H new ATOM 0 HZ1 LYS A 44 -5.599 0.702 -24.775 1.00 43.31 H new ATOM 0 HZ2 LYS A 44 -4.869 1.955 -25.658 1.00 43.31 H new ATOM 0 HZ3 LYS A 44 -4.425 1.685 -24.041 1.00 43.31 H new ATOM 703 N TRP A 45 -3.832 3.584 -19.704 1.00 61.52 N ATOM 704 CA TRP A 45 -4.388 3.140 -18.430 1.00 74.50 C ATOM 705 C TRP A 45 -3.280 2.737 -17.463 1.00 42.02 C ATOM 706 O TRP A 45 -3.488 1.909 -16.576 1.00 73.52 O ATOM 707 CB TRP A 45 -5.344 1.966 -18.650 1.00 42.20 C ATOM 708 CG TRP A 45 -6.641 2.365 -19.285 1.00 43.15 C ATOM 709 CD1 TRP A 45 -6.986 2.227 -20.599 1.00 21.34 C ATOM 710 CD2 TRP A 45 -7.764 2.969 -18.634 1.00 53.41 C ATOM 711 NE1 TRP A 45 -8.257 2.710 -20.803 1.00 41.43 N ATOM 712 CE2 TRP A 45 -8.755 3.170 -19.613 1.00 25.41 C ATOM 713 CE3 TRP A 45 -8.027 3.359 -17.318 1.00 1.32 C ATOM 714 CZ2 TRP A 45 -9.989 3.743 -19.317 1.00 64.03 C ATOM 715 CZ3 TRP A 45 -9.252 3.928 -17.025 1.00 34.23 C ATOM 716 CH2 TRP A 45 -10.221 4.115 -18.021 1.00 24.53 C ATOM 0 H TRP A 45 -3.222 2.904 -20.158 1.00 61.52 H new ATOM 0 HA TRP A 45 -4.940 3.972 -17.992 1.00 74.50 H new ATOM 0 HB2 TRP A 45 -4.855 1.221 -19.278 1.00 42.20 H new ATOM 0 HB3 TRP A 45 -5.549 1.489 -17.691 1.00 42.20 H new ATOM 0 HD1 TRP A 45 -6.354 1.802 -21.365 1.00 21.34 H new ATOM 0 HE1 TRP A 45 -8.749 2.724 -21.696 1.00 41.43 H new ATOM 0 HE3 TRP A 45 -7.287 3.218 -16.544 1.00 1.32 H new ATOM 0 HZ2 TRP A 45 -10.736 3.889 -20.083 1.00 64.03 H new ATOM 0 HZ3 TRP A 45 -9.466 4.234 -16.012 1.00 34.23 H new ATOM 0 HH2 TRP A 45 -11.169 4.561 -17.760 1.00 24.53 H new ATOM 727 N LYS A 46 -2.103 3.328 -17.640 1.00 42.21 N ATOM 728 CA LYS A 46 -0.962 3.031 -16.782 1.00 51.21 C ATOM 729 C LYS A 46 -0.455 4.296 -16.096 1.00 0.41 C ATOM 730 O LYS A 46 -0.736 5.408 -16.539 1.00 73.52 O ATOM 731 CB LYS A 46 0.165 2.396 -17.599 1.00 62.45 C ATOM 732 CG LYS A 46 -0.129 0.970 -18.033 1.00 61.44 C ATOM 733 CD LYS A 46 0.667 -0.037 -17.219 1.00 44.12 C ATOM 734 CE LYS A 46 1.005 -1.273 -18.038 1.00 21.31 C ATOM 735 NZ LYS A 46 -0.182 -1.799 -18.764 1.00 41.31 N1+ ATOM 0 H LYS A 46 -1.914 4.015 -18.370 1.00 42.21 H new ATOM 0 HA LYS A 46 -1.288 2.328 -16.016 1.00 51.21 H new ATOM 0 HB2 LYS A 46 0.350 3.006 -18.484 1.00 62.45 H new ATOM 0 HB3 LYS A 46 1.081 2.406 -17.008 1.00 62.45 H new ATOM 0 HG2 LYS A 46 -1.194 0.768 -17.922 1.00 61.44 H new ATOM 0 HG3 LYS A 46 0.109 0.854 -19.090 1.00 61.44 H new ATOM 0 HD2 LYS A 46 1.587 0.427 -16.863 1.00 44.12 H new ATOM 0 HD3 LYS A 46 0.095 -0.328 -16.338 1.00 44.12 H new ATOM 0 HE2 LYS A 46 1.790 -1.031 -18.754 1.00 21.31 H new ATOM 0 HE3 LYS A 46 1.401 -2.047 -17.381 1.00 21.31 H new ATOM 0 HZ1 LYS A 46 -0.101 -2.831 -18.861 1.00 41.31 H new ATOM 0 HZ2 LYS A 46 -1.045 -1.568 -18.232 1.00 41.31 H new ATOM 0 HZ3 LYS A 46 -0.231 -1.366 -19.708 1.00 41.31 H new ATOM 749 N GLN A 47 0.293 4.115 -15.012 1.00 64.53 N ATOM 750 CA GLN A 47 0.840 5.242 -14.265 1.00 74.13 C ATOM 751 C GLN A 47 1.944 5.936 -15.057 1.00 13.14 C ATOM 752 O GLN A 47 2.863 5.288 -15.558 1.00 23.10 O ATOM 753 CB GLN A 47 1.382 4.773 -12.915 1.00 24.11 C ATOM 754 CG GLN A 47 0.479 5.117 -11.743 1.00 62.21 C ATOM 755 CD GLN A 47 0.779 4.287 -10.510 1.00 72.54 C ATOM 756 OE1 GLN A 47 1.864 3.721 -10.379 1.00 23.43 O ATOM 757 NE2 GLN A 47 -0.182 4.212 -9.597 1.00 45.00 N ATOM 0 H GLN A 47 0.534 3.200 -14.632 1.00 64.53 H new ATOM 0 HA GLN A 47 0.035 5.957 -14.096 1.00 74.13 H new ATOM 0 HB2 GLN A 47 1.526 3.693 -12.947 1.00 24.11 H new ATOM 0 HB3 GLN A 47 2.362 5.221 -12.751 1.00 24.11 H new ATOM 0 HG2 GLN A 47 0.592 6.174 -11.501 1.00 62.21 H new ATOM 0 HG3 GLN A 47 -0.561 4.966 -12.034 1.00 62.21 H new ATOM 0 HE21 GLN A 47 -1.067 4.697 -9.747 1.00 45.00 H new ATOM 0 HE22 GLN A 47 -0.036 3.669 -8.746 1.00 45.00 H new ATOM 766 N CYS A 48 1.847 7.257 -15.166 1.00 31.24 N ATOM 767 CA CYS A 48 2.837 8.038 -15.897 1.00 22.31 C ATOM 768 C CYS A 48 3.936 8.536 -14.962 1.00 55.30 C ATOM 769 O CYS A 48 5.033 8.876 -15.404 1.00 50.32 O ATOM 770 CB CYS A 48 2.167 9.226 -16.592 1.00 73.10 C ATOM 771 SG CYS A 48 1.818 10.633 -15.488 1.00 25.31 S ATOM 0 H CYS A 48 1.093 7.809 -14.757 1.00 31.24 H new ATOM 0 HA CYS A 48 3.290 7.392 -16.649 1.00 22.31 H new ATOM 0 HB2 CYS A 48 2.808 9.566 -17.405 1.00 73.10 H new ATOM 0 HB3 CYS A 48 1.233 8.890 -17.042 1.00 73.10 H new ATOM 776 N ASP A 49 3.632 8.575 -13.669 1.00 45.13 N ATOM 777 CA ASP A 49 4.594 9.028 -12.671 1.00 34.44 C ATOM 778 C ASP A 49 5.927 8.306 -12.833 1.00 31.03 C ATOM 779 O ASP A 49 6.007 7.088 -12.674 1.00 25.13 O ATOM 780 CB ASP A 49 4.044 8.802 -11.263 1.00 20.02 C ATOM 781 CG ASP A 49 5.034 9.197 -10.184 1.00 23.14 C ATOM 782 OD1 ASP A 49 5.285 10.409 -10.024 1.00 10.54 O1- ATOM 783 OD2 ASP A 49 5.556 8.292 -9.500 1.00 41.44 O ATOM 0 H ASP A 49 2.727 8.298 -13.288 1.00 45.13 H new ATOM 0 HA ASP A 49 4.760 10.095 -12.820 1.00 34.44 H new ATOM 0 HB2 ASP A 49 3.126 9.377 -11.138 1.00 20.02 H new ATOM 0 HB3 ASP A 49 3.781 7.751 -11.143 1.00 20.02 H new ATOM 788 N GLY A 50 6.971 9.064 -13.151 1.00 64.44 N ATOM 789 CA GLY A 50 8.287 8.478 -13.331 1.00 42.12 C ATOM 790 C GLY A 50 8.524 8.012 -14.753 1.00 40.31 C ATOM 791 O GLY A 50 9.654 8.043 -15.242 1.00 15.21 O ATOM 0 H GLY A 50 6.930 10.074 -13.287 1.00 64.44 H new ATOM 0 HA2 GLY A 50 9.048 9.210 -13.060 1.00 42.12 H new ATOM 0 HA3 GLY A 50 8.401 7.634 -12.651 1.00 42.12 H new ATOM 795 N ARG A 51 7.459 7.576 -15.417 1.00 1.11 N ATOM 796 CA ARG A 51 7.558 7.099 -16.792 1.00 3.05 C ATOM 797 C ARG A 51 6.847 8.049 -17.750 1.00 2.25 C ATOM 798 O ARG A 51 6.158 7.614 -18.672 1.00 3.34 O ATOM 799 CB ARG A 51 6.960 5.696 -16.909 1.00 51.11 C ATOM 800 CG ARG A 51 7.465 4.727 -15.853 1.00 20.31 C ATOM 801 CD ARG A 51 8.984 4.634 -15.864 1.00 11.03 C ATOM 802 NE ARG A 51 9.471 3.551 -15.012 1.00 71.21 N ATOM 803 CZ ARG A 51 10.714 3.085 -15.058 1.00 71.51 C ATOM 804 NH1 ARG A 51 11.589 3.602 -15.908 1.00 5.32 N1+ ATOM 805 NH2 ARG A 51 11.083 2.098 -14.251 1.00 71.12 N ATOM 0 H ARG A 51 6.518 7.543 -15.026 1.00 1.11 H new ATOM 0 HA ARG A 51 8.613 7.062 -17.063 1.00 3.05 H new ATOM 0 HB2 ARG A 51 5.875 5.766 -16.836 1.00 51.11 H new ATOM 0 HB3 ARG A 51 7.188 5.295 -17.896 1.00 51.11 H new ATOM 0 HG2 ARG A 51 7.126 5.050 -14.869 1.00 20.31 H new ATOM 0 HG3 ARG A 51 7.037 3.740 -16.029 1.00 20.31 H new ATOM 0 HD2 ARG A 51 9.330 4.476 -16.885 1.00 11.03 H new ATOM 0 HD3 ARG A 51 9.408 5.580 -15.526 1.00 11.03 H new ATOM 0 HE ARG A 51 8.822 3.131 -14.347 1.00 71.21 H new ATOM 0 HH11 ARG A 51 11.309 4.360 -16.530 1.00 5.32 H new ATOM 0 HH12 ARG A 51 12.543 3.242 -15.940 1.00 5.32 H new ATOM 0 HH21 ARG A 51 10.412 1.697 -13.596 1.00 71.12 H new ATOM 0 HH22 ARG A 51 12.038 1.740 -14.286 1.00 71.12 H new ATOM 819 N GLU A 52 7.020 9.347 -17.525 1.00 24.42 N ATOM 820 CA GLU A 52 6.393 10.358 -18.369 1.00 31.15 C ATOM 821 C GLU A 52 6.987 10.339 -19.773 1.00 45.14 C ATOM 822 O GLU A 52 6.438 10.937 -20.699 1.00 54.45 O ATOM 823 CB GLU A 52 6.564 11.748 -17.751 1.00 70.10 C ATOM 824 CG GLU A 52 8.003 12.237 -17.741 1.00 13.21 C ATOM 825 CD GLU A 52 8.211 13.419 -16.814 1.00 41.43 C ATOM 826 OE1 GLU A 52 7.350 14.322 -16.802 1.00 61.42 O ATOM 827 OE2 GLU A 52 9.237 13.440 -16.102 1.00 51.44 O1- ATOM 0 H GLU A 52 7.588 9.724 -16.766 1.00 24.42 H new ATOM 0 HA GLU A 52 5.330 10.127 -18.439 1.00 31.15 H new ATOM 0 HB2 GLU A 52 5.951 12.460 -18.304 1.00 70.10 H new ATOM 0 HB3 GLU A 52 6.188 11.730 -16.728 1.00 70.10 H new ATOM 0 HG2 GLU A 52 8.658 11.421 -17.436 1.00 13.21 H new ATOM 0 HG3 GLU A 52 8.294 12.518 -18.753 1.00 13.21 H new ATOM 834 N ARG A 53 8.111 9.646 -19.925 1.00 4.13 N ATOM 835 CA ARG A 53 8.781 9.549 -21.216 1.00 53.25 C ATOM 836 C ARG A 53 9.012 8.090 -21.600 1.00 61.40 C ATOM 837 O ARG A 53 9.932 7.775 -22.355 1.00 72.20 O ATOM 838 CB ARG A 53 10.115 10.297 -21.180 1.00 72.43 C ATOM 839 CG ARG A 53 9.982 11.761 -20.796 1.00 65.33 C ATOM 840 CD ARG A 53 11.087 12.602 -21.418 1.00 3.24 C ATOM 841 NE ARG A 53 10.788 12.961 -22.802 1.00 34.41 N ATOM 842 CZ ARG A 53 11.675 13.504 -23.628 1.00 52.53 C ATOM 843 NH1 ARG A 53 12.911 13.747 -23.213 1.00 75.13 N1+ ATOM 844 NH2 ARG A 53 11.328 13.803 -24.873 1.00 14.35 N ATOM 0 H ARG A 53 8.577 9.143 -19.170 1.00 4.13 H new ATOM 0 HA ARG A 53 8.137 10.006 -21.967 1.00 53.25 H new ATOM 0 HB2 ARG A 53 10.780 9.803 -20.471 1.00 72.43 H new ATOM 0 HB3 ARG A 53 10.587 10.229 -22.160 1.00 72.43 H new ATOM 0 HG2 ARG A 53 9.011 12.137 -21.120 1.00 65.33 H new ATOM 0 HG3 ARG A 53 10.016 11.858 -19.711 1.00 65.33 H new ATOM 0 HD2 ARG A 53 11.227 13.509 -20.830 1.00 3.24 H new ATOM 0 HD3 ARG A 53 12.027 12.051 -21.381 1.00 3.24 H new ATOM 0 HE ARG A 53 9.847 12.785 -23.153 1.00 34.41 H new ATOM 0 HH11 ARG A 53 13.183 13.517 -22.257 1.00 75.13 H new ATOM 0 HH12 ARG A 53 13.590 14.164 -23.850 1.00 75.13 H new ATOM 0 HH21 ARG A 53 10.379 13.616 -25.197 1.00 14.35 H new ATOM 0 HH22 ARG A 53 12.010 14.220 -25.506 1.00 14.35 H new ATOM 858 N ASP A 54 8.172 7.205 -21.075 1.00 54.44 N ATOM 859 CA ASP A 54 8.286 5.780 -21.363 1.00 31.21 C ATOM 860 C ASP A 54 7.033 5.267 -22.066 1.00 61.13 C ATOM 861 O ASP A 54 7.070 4.251 -22.760 1.00 60.01 O ATOM 862 CB ASP A 54 8.519 4.994 -20.072 1.00 61.24 C ATOM 863 CG ASP A 54 9.534 3.882 -20.246 1.00 62.32 C ATOM 864 OD1 ASP A 54 9.704 3.406 -21.388 1.00 42.43 O1- ATOM 865 OD2 ASP A 54 10.161 3.489 -19.240 1.00 42.13 O ATOM 0 H ASP A 54 7.405 7.449 -20.448 1.00 54.44 H new ATOM 0 HA ASP A 54 9.139 5.635 -22.026 1.00 31.21 H new ATOM 0 HB2 ASP A 54 8.861 5.675 -19.292 1.00 61.24 H new ATOM 0 HB3 ASP A 54 7.574 4.570 -19.733 1.00 61.24 H new ATOM 870 N CYS A 55 5.925 5.976 -21.882 1.00 51.44 N ATOM 871 CA CYS A 55 4.660 5.593 -22.497 1.00 52.31 C ATOM 872 C CYS A 55 4.835 5.344 -23.992 1.00 63.35 C ATOM 873 O CYS A 55 5.859 5.701 -24.576 1.00 61.14 O ATOM 874 CB CYS A 55 3.607 6.680 -22.270 1.00 15.01 C ATOM 875 SG CYS A 55 3.353 7.114 -20.519 1.00 50.34 S ATOM 0 H CYS A 55 5.877 6.820 -21.311 1.00 51.44 H new ATOM 0 HA CYS A 55 4.324 4.668 -22.029 1.00 52.31 H new ATOM 0 HB2 CYS A 55 3.901 7.576 -22.816 1.00 15.01 H new ATOM 0 HB3 CYS A 55 2.659 6.346 -22.692 1.00 15.01 H new ATOM 880 N CYS A 56 3.829 4.731 -24.607 1.00 32.14 N ATOM 881 CA CYS A 56 3.870 4.434 -26.034 1.00 3.14 C ATOM 882 C CYS A 56 3.853 5.718 -26.857 1.00 52.12 C ATOM 883 O CYS A 56 3.852 6.820 -26.309 1.00 1.22 O ATOM 884 CB CYS A 56 2.686 3.548 -26.425 1.00 72.45 C ATOM 885 SG CYS A 56 2.901 1.789 -26.002 1.00 3.31 S ATOM 0 H CYS A 56 2.974 4.430 -24.139 1.00 32.14 H new ATOM 0 HA CYS A 56 4.798 3.902 -26.243 1.00 3.14 H new ATOM 0 HB2 CYS A 56 1.788 3.922 -25.933 1.00 72.45 H new ATOM 0 HB3 CYS A 56 2.520 3.635 -27.499 1.00 72.45 H new ATOM 890 N ALA A 57 3.841 5.567 -28.178 1.00 24.11 N ATOM 891 CA ALA A 57 3.822 6.714 -29.077 1.00 42.23 C ATOM 892 C ALA A 57 2.439 7.357 -29.118 1.00 72.42 C ATOM 893 O ALA A 57 1.438 6.683 -29.353 1.00 32.44 O ATOM 894 CB ALA A 57 4.253 6.296 -30.474 1.00 3.21 C ATOM 0 H ALA A 57 3.844 4.662 -28.648 1.00 24.11 H new ATOM 0 HA ALA A 57 4.527 7.454 -28.697 1.00 42.23 H new ATOM 0 HB1 ALA A 57 4.234 7.162 -31.135 1.00 3.21 H new ATOM 0 HB2 ALA A 57 5.264 5.890 -30.437 1.00 3.21 H new ATOM 0 HB3 ALA A 57 3.570 5.536 -30.853 1.00 3.21 H new ATOM 900 N GLY A 58 2.393 8.666 -28.886 1.00 45.51 N ATOM 901 CA GLY A 58 1.128 9.376 -28.901 1.00 33.35 C ATOM 902 C GLY A 58 0.581 9.614 -27.507 1.00 32.21 C ATOM 903 O GLY A 58 -0.313 10.441 -27.316 1.00 4.20 O ATOM 0 H GLY A 58 3.208 9.246 -28.688 1.00 45.51 H new ATOM 0 HA2 GLY A 58 1.258 10.333 -29.405 1.00 33.35 H new ATOM 0 HA3 GLY A 58 0.402 8.806 -29.481 1.00 33.35 H new ATOM 907 N LEU A 59 1.116 8.889 -26.532 1.00 62.12 N ATOM 908 CA LEU A 59 0.674 9.022 -25.148 1.00 12.44 C ATOM 909 C LEU A 59 1.376 10.191 -24.464 1.00 51.41 C ATOM 910 O LEU A 59 2.271 10.811 -25.037 1.00 13.31 O ATOM 911 CB LEU A 59 0.944 7.729 -24.378 1.00 0.22 C ATOM 912 CG LEU A 59 -0.062 6.597 -24.594 1.00 50.25 C ATOM 913 CD1 LEU A 59 0.338 5.368 -23.794 1.00 1.55 C ATOM 914 CD2 LEU A 59 -1.465 7.050 -24.214 1.00 50.20 C ATOM 0 H LEU A 59 1.857 8.202 -26.674 1.00 62.12 H new ATOM 0 HA LEU A 59 -0.398 9.217 -25.152 1.00 12.44 H new ATOM 0 HB2 LEU A 59 1.934 7.366 -24.653 1.00 0.22 H new ATOM 0 HB3 LEU A 59 0.975 7.963 -23.314 1.00 0.22 H new ATOM 0 HG LEU A 59 -0.061 6.333 -25.652 1.00 50.25 H new ATOM 0 HD11 LEU A 59 -0.389 4.573 -23.960 1.00 1.55 H new ATOM 0 HD12 LEU A 59 1.324 5.031 -24.114 1.00 1.55 H new ATOM 0 HD13 LEU A 59 0.367 5.618 -22.733 1.00 1.55 H new ATOM 0 HD21 LEU A 59 -2.167 6.232 -24.374 1.00 50.20 H new ATOM 0 HD22 LEU A 59 -1.481 7.342 -23.164 1.00 50.20 H new ATOM 0 HD23 LEU A 59 -1.752 7.901 -24.832 1.00 50.20 H new ATOM 926 N GLU A 60 0.965 10.484 -23.234 1.00 13.01 N ATOM 927 CA GLU A 60 1.556 11.577 -22.471 1.00 5.33 C ATOM 928 C GLU A 60 1.213 11.455 -20.990 1.00 35.33 C ATOM 929 O GLU A 60 0.220 10.828 -20.620 1.00 50.25 O ATOM 930 CB GLU A 60 1.070 12.925 -23.009 1.00 50.33 C ATOM 931 CG GLU A 60 -0.373 13.238 -22.651 1.00 41.10 C ATOM 932 CD GLU A 60 -1.031 14.176 -23.645 1.00 3.12 C ATOM 933 OE1 GLU A 60 -1.108 13.815 -24.838 1.00 2.21 O1- ATOM 934 OE2 GLU A 60 -1.466 15.270 -23.231 1.00 52.34 O ATOM 0 H GLU A 60 0.225 9.980 -22.745 1.00 13.01 H new ATOM 0 HA GLU A 60 2.639 11.519 -22.581 1.00 5.33 H new ATOM 0 HB2 GLU A 60 1.712 13.715 -22.619 1.00 50.33 H new ATOM 0 HB3 GLU A 60 1.177 12.934 -24.094 1.00 50.33 H new ATOM 0 HG2 GLU A 60 -0.941 12.309 -22.603 1.00 41.10 H new ATOM 0 HG3 GLU A 60 -0.408 13.685 -21.657 1.00 41.10 H new ATOM 941 N CYS A 61 2.043 12.058 -20.145 1.00 32.21 N ATOM 942 CA CYS A 61 1.830 12.017 -18.703 1.00 32.23 C ATOM 943 C CYS A 61 0.581 12.805 -18.315 1.00 41.14 C ATOM 944 O CYS A 61 0.631 14.024 -18.148 1.00 25.31 O ATOM 945 CB CYS A 61 3.049 12.580 -17.970 1.00 74.11 C ATOM 946 SG CYS A 61 3.149 12.100 -16.216 1.00 3.45 S ATOM 0 H CYS A 61 2.870 12.581 -20.434 1.00 32.21 H new ATOM 0 HA CYS A 61 1.687 10.976 -18.411 1.00 32.23 H new ATOM 0 HB2 CYS A 61 3.953 12.245 -18.479 1.00 74.11 H new ATOM 0 HB3 CYS A 61 3.030 13.668 -18.037 1.00 74.11 H new ATOM 951 N TRP A 62 -0.535 12.100 -18.173 1.00 31.21 N ATOM 952 CA TRP A 62 -1.797 12.733 -17.804 1.00 62.54 C ATOM 953 C TRP A 62 -1.865 12.973 -16.300 1.00 11.34 C ATOM 954 O TRP A 62 -1.553 12.087 -15.504 1.00 63.25 O ATOM 955 CB TRP A 62 -2.976 11.865 -18.248 1.00 22.53 C ATOM 956 CG TRP A 62 -4.244 12.640 -18.442 1.00 0.54 C ATOM 957 CD1 TRP A 62 -4.390 13.997 -18.395 1.00 53.01 C ATOM 958 CD2 TRP A 62 -5.544 12.104 -18.709 1.00 52.14 C ATOM 959 NE1 TRP A 62 -5.703 14.336 -18.617 1.00 22.43 N ATOM 960 CE2 TRP A 62 -6.431 13.192 -18.814 1.00 12.12 C ATOM 961 CE3 TRP A 62 -6.044 10.809 -18.873 1.00 70.44 C ATOM 962 CZ2 TRP A 62 -7.788 13.024 -19.074 1.00 63.23 C ATOM 963 CZ3 TRP A 62 -7.392 10.644 -19.130 1.00 22.24 C ATOM 964 CH2 TRP A 62 -8.251 11.746 -19.230 1.00 43.24 C ATOM 0 H TRP A 62 -0.593 11.091 -18.307 1.00 31.21 H new ATOM 0 HA TRP A 62 -1.854 13.697 -18.310 1.00 62.54 H new ATOM 0 HB2 TRP A 62 -2.718 11.364 -19.181 1.00 22.53 H new ATOM 0 HB3 TRP A 62 -3.145 11.086 -17.504 1.00 22.53 H new ATOM 0 HD1 TRP A 62 -3.591 14.700 -18.211 1.00 53.01 H new ATOM 0 HE1 TRP A 62 -6.075 15.285 -18.633 1.00 22.43 H new ATOM 0 HE3 TRP A 62 -5.389 9.953 -18.800 1.00 70.44 H new ATOM 0 HZ2 TRP A 62 -8.452 13.872 -19.150 1.00 63.23 H new ATOM 0 HZ3 TRP A 62 -7.790 9.648 -19.256 1.00 22.24 H new ATOM 0 HH2 TRP A 62 -9.299 11.584 -19.434 1.00 43.24 H new ATOM 975 N LYS A 63 -2.275 14.177 -15.916 1.00 23.40 N ATOM 976 CA LYS A 63 -2.386 14.535 -14.507 1.00 52.14 C ATOM 977 C LYS A 63 -3.842 14.501 -14.050 1.00 24.33 C ATOM 978 O LYS A 63 -4.592 15.454 -14.266 1.00 41.02 O ATOM 979 CB LYS A 63 -1.797 15.927 -14.264 1.00 44.12 C ATOM 980 CG LYS A 63 -1.171 16.091 -12.890 1.00 53.51 C ATOM 981 CD LYS A 63 -2.197 16.529 -11.858 1.00 4.40 C ATOM 982 CE LYS A 63 -2.492 18.017 -11.964 1.00 40.12 C ATOM 983 NZ LYS A 63 -1.381 18.844 -11.418 1.00 71.35 N1+ ATOM 0 H LYS A 63 -2.536 14.922 -16.562 1.00 23.40 H new ATOM 0 HA LYS A 63 -1.824 13.803 -13.927 1.00 52.14 H new ATOM 0 HB2 LYS A 63 -1.043 16.131 -15.024 1.00 44.12 H new ATOM 0 HB3 LYS A 63 -2.583 16.672 -14.387 1.00 44.12 H new ATOM 0 HG2 LYS A 63 -0.721 15.148 -12.579 1.00 53.51 H new ATOM 0 HG3 LYS A 63 -0.368 16.826 -12.941 1.00 53.51 H new ATOM 0 HD2 LYS A 63 -3.118 15.963 -11.996 1.00 4.40 H new ATOM 0 HD3 LYS A 63 -1.829 16.300 -10.858 1.00 4.40 H new ATOM 0 HE2 LYS A 63 -2.661 18.280 -13.008 1.00 40.12 H new ATOM 0 HE3 LYS A 63 -3.412 18.244 -11.425 1.00 40.12 H new ATOM 0 HZ1 LYS A 63 -1.687 19.836 -11.352 1.00 71.35 H new ATOM 0 HZ2 LYS A 63 -1.123 18.497 -10.472 1.00 71.35 H new ATOM 0 HZ3 LYS A 63 -0.556 18.777 -12.048 1.00 71.35 H new ATOM 997 N ARG A 64 -4.234 13.399 -13.418 1.00 23.41 N ATOM 998 CA ARG A 64 -5.599 13.243 -12.931 1.00 20.52 C ATOM 999 C ARG A 64 -5.628 13.177 -11.407 1.00 15.01 C ATOM 1000 O ARG A 64 -4.875 12.422 -10.794 1.00 71.20 O ATOM 1001 CB ARG A 64 -6.231 11.980 -13.519 1.00 61.21 C ATOM 1002 CG ARG A 64 -7.213 12.258 -14.645 1.00 3.44 C ATOM 1003 CD ARG A 64 -7.404 11.037 -15.531 1.00 21.45 C ATOM 1004 NE ARG A 64 -8.793 10.880 -15.954 1.00 4.33 N ATOM 1005 CZ ARG A 64 -9.782 10.560 -15.127 1.00 63.22 C ATOM 1006 NH1 ARG A 64 -9.536 10.366 -13.839 1.00 72.12 N1+ ATOM 1007 NH2 ARG A 64 -11.020 10.435 -15.588 1.00 55.42 N ATOM 0 H ARG A 64 -3.626 12.602 -13.232 1.00 23.41 H new ATOM 0 HA ARG A 64 -6.174 14.112 -13.251 1.00 20.52 H new ATOM 0 HB2 ARG A 64 -5.441 11.328 -13.890 1.00 61.21 H new ATOM 0 HB3 ARG A 64 -6.745 11.438 -12.725 1.00 61.21 H new ATOM 0 HG2 ARG A 64 -8.173 12.559 -14.226 1.00 3.44 H new ATOM 0 HG3 ARG A 64 -6.852 13.092 -15.246 1.00 3.44 H new ATOM 0 HD2 ARG A 64 -6.765 11.123 -16.410 1.00 21.45 H new ATOM 0 HD3 ARG A 64 -7.086 10.145 -14.992 1.00 21.45 H new ATOM 0 HE ARG A 64 -9.016 11.024 -16.939 1.00 4.33 H new ATOM 0 HH11 ARG A 64 -8.586 10.462 -13.481 1.00 72.12 H new ATOM 0 HH12 ARG A 64 -10.297 10.120 -13.206 1.00 72.12 H new ATOM 0 HH21 ARG A 64 -11.213 10.585 -16.578 1.00 55.42 H new ATOM 0 HH22 ARG A 64 -11.779 10.189 -14.952 1.00 55.42 H new ATOM 1021 N SER A 65 -6.503 13.975 -10.802 1.00 20.12 N ATOM 1022 CA SER A 65 -6.628 14.011 -9.350 1.00 63.33 C ATOM 1023 C SER A 65 -8.091 13.919 -8.928 1.00 1.01 C ATOM 1024 O SER A 65 -8.951 14.606 -9.476 1.00 23.41 O ATOM 1025 CB SER A 65 -6.006 15.294 -8.795 1.00 25.02 C ATOM 1026 OG SER A 65 -4.790 15.599 -9.457 1.00 51.35 O ATOM 0 H SER A 65 -7.135 14.605 -11.295 1.00 20.12 H new ATOM 0 HA SER A 65 -6.095 13.151 -8.943 1.00 63.33 H new ATOM 0 HB2 SER A 65 -6.705 16.122 -8.913 1.00 25.02 H new ATOM 0 HB3 SER A 65 -5.824 15.181 -7.726 1.00 25.02 H new ATOM 0 HG SER A 65 -4.413 16.424 -9.086 1.00 51.35 H new ATOM 1032 N GLY A 66 -8.365 13.061 -7.949 1.00 0.14 N ATOM 1033 CA GLY A 66 -9.724 12.894 -7.469 1.00 32.50 C ATOM 1034 C GLY A 66 -10.293 11.530 -7.806 1.00 23.21 C ATOM 1035 O GLY A 66 -11.235 11.068 -7.165 1.00 21.34 O ATOM 0 H GLY A 66 -7.670 12.479 -7.481 1.00 0.14 H new ATOM 0 HA2 GLY A 66 -9.745 13.036 -6.389 1.00 32.50 H new ATOM 0 HA3 GLY A 66 -10.358 13.667 -7.905 1.00 32.50 H new ATOM 1039 N ASN A 67 -9.720 10.884 -8.817 1.00 74.50 N ATOM 1040 CA ASN A 67 -10.178 9.566 -9.239 1.00 52.31 C ATOM 1041 C ASN A 67 -9.124 8.503 -8.943 1.00 13.21 C ATOM 1042 O ASN A 67 -9.421 7.466 -8.349 1.00 42.14 O ATOM 1043 CB ASN A 67 -10.506 9.572 -10.733 1.00 3.14 C ATOM 1044 CG ASN A 67 -11.833 10.243 -11.032 1.00 15.32 C ATOM 1045 OD1 ASN A 67 -12.896 9.704 -10.724 1.00 62.04 O ATOM 1046 ND2 ASN A 67 -11.776 11.425 -11.634 1.00 50.12 N ATOM 0 H ASN A 67 -8.938 11.252 -9.359 1.00 74.50 H new ATOM 0 HA ASN A 67 -11.080 9.325 -8.676 1.00 52.31 H new ATOM 0 HB2 ASN A 67 -9.712 10.086 -11.274 1.00 3.14 H new ATOM 0 HB3 ASN A 67 -10.530 8.546 -11.101 1.00 3.14 H new ATOM 0 HD21 ASN A 67 -12.636 11.924 -11.860 1.00 50.12 H new ATOM 0 HD22 ASN A 67 -10.872 11.834 -11.871 1.00 50.12 H new ATOM 1053 N LYS A 68 -7.890 8.768 -9.359 1.00 13.24 N ATOM 1054 CA LYS A 68 -6.791 7.837 -9.137 1.00 70.13 C ATOM 1055 C LYS A 68 -5.446 8.525 -9.348 1.00 24.21 C ATOM 1056 O LYS A 68 -5.387 9.713 -9.664 1.00 24.20 O ATOM 1057 CB LYS A 68 -6.915 6.636 -10.077 1.00 61.12 C ATOM 1058 CG LYS A 68 -7.592 5.434 -9.442 1.00 42.15 C ATOM 1059 CD LYS A 68 -7.240 4.147 -10.169 1.00 51.10 C ATOM 1060 CE LYS A 68 -5.897 3.598 -9.713 1.00 54.14 C ATOM 1061 NZ LYS A 68 -5.754 2.150 -10.026 1.00 5.22 N1+ ATOM 0 H LYS A 68 -7.626 9.621 -9.852 1.00 13.24 H new ATOM 0 HA LYS A 68 -6.844 7.489 -8.105 1.00 70.13 H new ATOM 0 HB2 LYS A 68 -7.478 6.934 -10.962 1.00 61.12 H new ATOM 0 HB3 LYS A 68 -5.920 6.346 -10.415 1.00 61.12 H new ATOM 0 HG2 LYS A 68 -7.292 5.356 -8.397 1.00 42.15 H new ATOM 0 HG3 LYS A 68 -8.673 5.576 -9.454 1.00 42.15 H new ATOM 0 HD2 LYS A 68 -8.017 3.404 -9.992 1.00 51.10 H new ATOM 0 HD3 LYS A 68 -7.213 4.330 -11.243 1.00 51.10 H new ATOM 0 HE2 LYS A 68 -5.094 4.155 -10.196 1.00 54.14 H new ATOM 0 HE3 LYS A 68 -5.789 3.750 -8.639 1.00 54.14 H new ATOM 0 HZ1 LYS A 68 -4.825 1.814 -9.699 1.00 5.22 H new ATOM 0 HZ2 LYS A 68 -6.505 1.615 -9.545 1.00 5.22 H new ATOM 0 HZ3 LYS A 68 -5.832 2.008 -11.053 1.00 5.22 H new ATOM 1075 N SER A 69 -4.367 7.768 -9.174 1.00 71.50 N ATOM 1076 CA SER A 69 -3.021 8.306 -9.343 1.00 14.31 C ATOM 1077 C SER A 69 -2.824 8.841 -10.758 1.00 24.23 C ATOM 1078 O SER A 69 -3.701 8.707 -11.612 1.00 73.23 O ATOM 1079 CB SER A 69 -1.977 7.227 -9.044 1.00 24.24 C ATOM 1080 OG SER A 69 -1.677 7.178 -7.660 1.00 64.42 O ATOM 0 H SER A 69 -4.398 6.782 -8.916 1.00 71.50 H new ATOM 0 HA SER A 69 -2.894 9.130 -8.640 1.00 14.31 H new ATOM 0 HB2 SER A 69 -2.348 6.256 -9.374 1.00 24.24 H new ATOM 0 HB3 SER A 69 -1.068 7.430 -9.610 1.00 24.24 H new ATOM 0 HG SER A 69 -1.009 6.480 -7.495 1.00 64.42 H new ATOM 1086 N SER A 70 -1.667 9.451 -10.998 1.00 24.02 N ATOM 1087 CA SER A 70 -1.356 10.011 -12.307 1.00 70.11 C ATOM 1088 C SER A 70 -1.184 8.906 -13.344 1.00 12.53 C ATOM 1089 O SER A 70 -0.353 8.011 -13.185 1.00 34.55 O ATOM 1090 CB SER A 70 -0.084 10.857 -12.233 1.00 35.12 C ATOM 1091 OG SER A 70 0.027 11.503 -10.977 1.00 4.53 O ATOM 0 H SER A 70 -0.930 9.570 -10.303 1.00 24.02 H new ATOM 0 HA SER A 70 -2.189 10.644 -12.611 1.00 70.11 H new ATOM 0 HB2 SER A 70 0.788 10.224 -12.398 1.00 35.12 H new ATOM 0 HB3 SER A 70 -0.092 11.602 -13.029 1.00 35.12 H new ATOM 0 HG SER A 70 0.849 12.036 -10.955 1.00 4.53 H new ATOM 1097 N VAL A 71 -1.977 8.974 -14.409 1.00 24.14 N ATOM 1098 CA VAL A 71 -1.914 7.980 -15.475 1.00 51.23 C ATOM 1099 C VAL A 71 -1.534 8.624 -16.803 1.00 35.12 C ATOM 1100 O VAL A 71 -1.350 9.837 -16.888 1.00 54.32 O ATOM 1101 CB VAL A 71 -3.258 7.246 -15.638 1.00 54.41 C ATOM 1102 CG1 VAL A 71 -3.509 6.321 -14.455 1.00 13.52 C ATOM 1103 CG2 VAL A 71 -4.395 8.245 -15.795 1.00 25.23 C ATOM 0 H VAL A 71 -2.671 9.707 -14.557 1.00 24.14 H new ATOM 0 HA VAL A 71 -1.148 7.259 -15.192 1.00 51.23 H new ATOM 0 HB VAL A 71 -3.212 6.637 -16.541 1.00 54.41 H new ATOM 0 HG11 VAL A 71 -4.463 5.811 -14.588 1.00 13.52 H new ATOM 0 HG12 VAL A 71 -2.709 5.583 -14.394 1.00 13.52 H new ATOM 0 HG13 VAL A 71 -3.535 6.905 -13.535 1.00 13.52 H new ATOM 0 HG21 VAL A 71 -5.337 7.709 -15.909 1.00 25.23 H new ATOM 0 HG22 VAL A 71 -4.444 8.882 -14.912 1.00 25.23 H new ATOM 0 HG23 VAL A 71 -4.219 8.861 -16.677 1.00 25.23 H new ATOM 1113 N CYS A 72 -1.420 7.800 -17.841 1.00 12.23 N ATOM 1114 CA CYS A 72 -1.062 8.288 -19.168 1.00 12.45 C ATOM 1115 C CYS A 72 -2.284 8.330 -20.079 1.00 40.11 C ATOM 1116 O CYS A 72 -3.246 7.588 -19.881 1.00 33.42 O ATOM 1117 CB CYS A 72 0.019 7.399 -19.786 1.00 45.13 C ATOM 1118 SG CYS A 72 1.659 8.186 -19.893 1.00 32.40 S ATOM 0 H CYS A 72 -1.570 6.793 -17.788 1.00 12.23 H new ATOM 0 HA CYS A 72 -0.674 9.301 -19.064 1.00 12.45 H new ATOM 0 HB2 CYS A 72 0.104 6.486 -19.197 1.00 45.13 H new ATOM 0 HB3 CYS A 72 -0.297 7.104 -20.787 1.00 45.13 H new ATOM 1123 N ALA A 73 -2.239 9.203 -21.080 1.00 13.24 N ATOM 1124 CA ALA A 73 -3.342 9.340 -22.024 1.00 74.50 C ATOM 1125 C ALA A 73 -2.831 9.702 -23.415 1.00 24.12 C ATOM 1126 O ALA A 73 -1.741 10.248 -23.580 1.00 21.35 O ATOM 1127 CB ALA A 73 -4.329 10.390 -21.534 1.00 34.14 C ATOM 0 H ALA A 73 -1.451 9.826 -21.258 1.00 13.24 H new ATOM 0 HA ALA A 73 -3.853 8.379 -22.090 1.00 74.50 H new ATOM 0 HB1 ALA A 73 -5.147 10.482 -22.248 1.00 34.14 H new ATOM 0 HB2 ALA A 73 -4.726 10.091 -20.564 1.00 34.14 H new ATOM 0 HB3 ALA A 73 -3.821 11.350 -21.438 1.00 34.14 H new ATOM 1133 N PRO A 74 -3.637 9.389 -24.442 1.00 1.12 N ATOM 1134 CA PRO A 74 -3.287 9.670 -25.837 1.00 3.31 C ATOM 1135 C PRO A 74 -3.307 11.164 -26.149 1.00 22.40 C ATOM 1136 O PRO A 74 -3.715 11.975 -25.319 1.00 42.32 O ATOM 1137 CB PRO A 74 -4.377 8.945 -26.629 1.00 34.51 C ATOM 1138 CG PRO A 74 -5.536 8.869 -25.697 1.00 43.20 C ATOM 1139 CD PRO A 74 -4.951 8.736 -24.319 1.00 71.33 C ATOM 0 HA PRO A 74 -2.276 9.342 -26.078 1.00 3.31 H new ATOM 0 HB2 PRO A 74 -4.635 9.490 -27.537 1.00 34.51 H new ATOM 0 HB3 PRO A 74 -4.049 7.951 -26.935 1.00 34.51 H new ATOM 0 HG2 PRO A 74 -6.157 9.762 -25.773 1.00 43.20 H new ATOM 0 HG3 PRO A 74 -6.173 8.017 -25.935 1.00 43.20 H new ATOM 0 HD2 PRO A 74 -5.574 9.224 -23.569 1.00 71.33 H new ATOM 0 HD3 PRO A 74 -4.855 7.692 -24.022 1.00 71.33 H new ATOM 1147 N ILE A 75 -2.863 11.518 -27.350 1.00 63.22 N ATOM 1148 CA ILE A 75 -2.832 12.913 -27.771 1.00 21.04 C ATOM 1149 C ILE A 75 -4.213 13.551 -27.663 1.00 1.24 C ATOM 1150 O ILE A 75 -5.233 12.872 -27.777 1.00 71.12 O ATOM 1151 CB ILE A 75 -2.326 13.053 -29.219 1.00 11.12 C ATOM 1152 CG1 ILE A 75 -3.061 12.073 -30.137 1.00 51.41 C ATOM 1153 CG2 ILE A 75 -0.825 12.818 -29.281 1.00 51.24 C ATOM 1154 CD1 ILE A 75 -2.991 12.447 -31.601 1.00 54.32 C ATOM 0 H ILE A 75 -2.520 10.858 -28.048 1.00 63.22 H new ATOM 0 HA ILE A 75 -2.143 13.429 -27.102 1.00 21.04 H new ATOM 0 HB ILE A 75 -2.530 14.067 -29.562 1.00 11.12 H new ATOM 0 HG12 ILE A 75 -2.638 11.077 -30.004 1.00 51.41 H new ATOM 0 HG13 ILE A 75 -4.107 12.019 -29.834 1.00 51.41 H new ATOM 0 HG21 ILE A 75 -0.483 12.920 -30.311 1.00 51.24 H new ATOM 0 HG22 ILE A 75 -0.316 13.551 -28.655 1.00 51.24 H new ATOM 0 HG23 ILE A 75 -0.599 11.814 -28.922 1.00 51.24 H new ATOM 0 HD11 ILE A 75 -3.533 11.708 -32.192 1.00 54.32 H new ATOM 0 HD12 ILE A 75 -3.440 13.429 -31.747 1.00 54.32 H new ATOM 0 HD13 ILE A 75 -1.949 12.473 -31.920 1.00 54.32 H new ATOM 1166 N THR A 76 -4.237 14.863 -27.444 1.00 52.02 N ATOM 1167 CA THR A 76 -5.492 15.593 -27.321 1.00 31.24 C ATOM 1168 C THR A 76 -5.471 16.866 -28.160 1.00 33.21 C ATOM 1169 O THR A 76 -4.707 17.792 -27.882 1.00 71.35 O ATOM 1170 CB THR A 76 -5.786 15.962 -25.856 1.00 2.31 C ATOM 1171 OG1 THR A 76 -4.736 16.786 -25.337 1.00 24.25 O ATOM 1172 CG2 THR A 76 -5.926 14.712 -25.001 1.00 61.00 C ATOM 0 H THR A 76 -3.402 15.440 -27.348 1.00 52.02 H new ATOM 0 HA THR A 76 -6.279 14.933 -27.686 1.00 31.24 H new ATOM 0 HB THR A 76 -6.727 16.512 -25.825 1.00 2.31 H new ATOM 0 HG1 THR A 76 -4.330 17.297 -26.068 1.00 24.25 H new ATOM 0 HG21 THR A 76 -6.133 14.998 -23.970 1.00 61.00 H new ATOM 0 HG22 THR A 76 -6.746 14.102 -25.380 1.00 61.00 H new ATOM 0 HG23 THR A 76 -4.999 14.139 -25.039 1.00 61.00 H new TER 1180 THR A 76