USER MOD reduce.3.24.130724 H: found=0, std=0, add=640, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 640 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 51 THR OG1 : rot 91:sc= 0.0318 USER MOD Set 1.2: A 54 GLN : amide:sc= 1.37 K(o=1.1,f=-3.2) USER MOD Set 1.3: A 61 HIS : no HD1:sc= -0.257 K(o=1.1,f=-5.5!) USER MOD Set 2.1: A 8 LYS NZ :NH3+ -174:sc= 0.58 (180deg=0) USER MOD Set 2.2: A 10 THR OG1 : rot 160:sc= 0.542 USER MOD Single : A 1 ALA N :NH3+ -113:sc= 0.165 (180deg=0) USER MOD Single : A 2 ASN : amide:sc= 0.376 X(o=0.38,f=-0.048) USER MOD Single : A 6 TYR OH : rot 180:sc= 0.216 USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 HIS : no HD1:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 18 LYS NZ :NH3+ 166:sc= 1.28 (180deg=0.89) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 84:sc= 1.19 USER MOD Single : A 24 LYS NZ :NH3+ 174:sc= 2.16 (180deg=2.12) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 29 GLN : amide:sc= -0.449 X(o=-0.45,f=0) USER MOD Single : A 36 ASN : amide:sc= -0.55 K(o=-0.55,f=-1.5) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 MET CE :methyl 165:sc= -0.288 (180deg=-0.942) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 SER OG : rot -47:sc= 1.11 USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 GLN : amide:sc= -0.0737 X(o=-0.074,f=0) USER MOD Single : A 65 TYR OH : rot -79:sc= 1.22 USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -7.584 6.028 -9.450 1.00 0.00 N ATOM 2 CA ALA A 1 -7.287 7.021 -8.407 1.00 0.00 C ATOM 3 C ALA A 1 -5.881 6.766 -7.878 1.00 0.00 C ATOM 4 O ALA A 1 -5.326 5.689 -8.098 1.00 0.00 O ATOM 5 CB ALA A 1 -8.331 7.021 -7.292 1.00 0.00 C ATOM 0 H1 ALA A 1 -7.665 6.505 -10.371 1.00 0.00 H new ATOM 0 H2 ALA A 1 -6.817 5.326 -9.490 1.00 0.00 H new ATOM 0 H3 ALA A 1 -8.480 5.549 -9.228 1.00 0.00 H new ATOM 0 HA ALA A 1 -7.331 8.019 -8.843 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -8.067 7.771 -6.546 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -9.310 7.254 -7.710 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -8.362 6.038 -6.822 1.00 0.00 H new ATOM 13 N ASN A 2 -5.264 7.760 -7.230 1.00 0.00 N ATOM 14 CA ASN A 2 -3.837 7.730 -6.952 1.00 0.00 C ATOM 15 C ASN A 2 -3.565 6.811 -5.787 1.00 0.00 C ATOM 16 O ASN A 2 -3.706 7.231 -4.642 1.00 0.00 O ATOM 17 CB ASN A 2 -3.201 9.121 -6.778 1.00 0.00 C ATOM 18 CG ASN A 2 -3.919 10.233 -7.521 1.00 0.00 C ATOM 19 OD1 ASN A 2 -3.557 10.546 -8.651 1.00 0.00 O ATOM 20 ND2 ASN A 2 -4.950 10.843 -6.962 1.00 0.00 N ATOM 0 H ASN A 2 -5.739 8.596 -6.890 1.00 0.00 H new ATOM 0 HA ASN A 2 -3.343 7.328 -7.837 1.00 0.00 H new ATOM 0 HB2 ASN A 2 -3.176 9.366 -5.716 1.00 0.00 H new ATOM 0 HB3 ASN A 2 -2.167 9.080 -7.120 1.00 0.00 H new ATOM 0 HD21 ASN A 2 -5.446 11.575 -7.470 1.00 0.00 H new ATOM 0 HD22 ASN A 2 -5.249 10.581 -6.023 1.00 0.00 H new ATOM 27 N VAL A 3 -3.200 5.567 -6.071 1.00 0.00 N ATOM 28 CA VAL A 3 -2.791 4.620 -5.057 1.00 0.00 C ATOM 29 C VAL A 3 -1.425 4.090 -5.439 1.00 0.00 C ATOM 30 O VAL A 3 -1.176 3.754 -6.599 1.00 0.00 O ATOM 31 CB VAL A 3 -3.866 3.540 -4.843 1.00 0.00 C ATOM 32 CG1 VAL A 3 -3.430 2.452 -3.845 1.00 0.00 C ATOM 33 CG2 VAL A 3 -5.136 4.204 -4.305 1.00 0.00 C ATOM 0 H VAL A 3 -3.181 5.190 -7.019 1.00 0.00 H new ATOM 0 HA VAL A 3 -2.696 5.096 -4.081 1.00 0.00 H new ATOM 0 HB VAL A 3 -4.036 3.060 -5.807 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -4.229 1.718 -3.735 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -2.532 1.958 -4.215 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -3.221 2.908 -2.878 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -5.905 3.447 -4.150 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -4.916 4.697 -3.358 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -5.493 4.942 -5.024 1.00 0.00 H new ATOM 43 N GLU A 4 -0.544 4.019 -4.453 1.00 0.00 N ATOM 44 CA GLU A 4 0.749 3.380 -4.541 1.00 0.00 C ATOM 45 C GLU A 4 0.818 2.389 -3.396 1.00 0.00 C ATOM 46 O GLU A 4 0.403 2.706 -2.277 1.00 0.00 O ATOM 47 CB GLU A 4 1.877 4.423 -4.464 1.00 0.00 C ATOM 48 CG GLU A 4 2.205 5.078 -5.813 1.00 0.00 C ATOM 49 CD GLU A 4 3.442 5.980 -5.700 1.00 0.00 C ATOM 50 OE1 GLU A 4 4.527 5.499 -5.302 1.00 0.00 O ATOM 51 OE2 GLU A 4 3.340 7.195 -5.964 1.00 0.00 O ATOM 0 H GLU A 4 -0.723 4.423 -3.534 1.00 0.00 H new ATOM 0 HA GLU A 4 0.877 2.867 -5.494 1.00 0.00 H new ATOM 0 HB2 GLU A 4 1.594 5.199 -3.753 1.00 0.00 H new ATOM 0 HB3 GLU A 4 2.776 3.945 -4.074 1.00 0.00 H new ATOM 0 HG2 GLU A 4 2.380 4.307 -6.563 1.00 0.00 H new ATOM 0 HG3 GLU A 4 1.352 5.665 -6.153 1.00 0.00 H new ATOM 58 N ILE A 5 1.309 1.183 -3.679 1.00 0.00 N ATOM 59 CA ILE A 5 1.396 0.140 -2.676 1.00 0.00 C ATOM 60 C ILE A 5 2.749 -0.549 -2.741 1.00 0.00 C ATOM 61 O ILE A 5 3.036 -1.306 -3.666 1.00 0.00 O ATOM 62 CB ILE A 5 0.155 -0.772 -2.725 1.00 0.00 C ATOM 63 CG1 ILE A 5 0.209 -1.678 -1.479 1.00 0.00 C ATOM 64 CG2 ILE A 5 -0.067 -1.621 -3.988 1.00 0.00 C ATOM 65 CD1 ILE A 5 -1.083 -2.447 -1.204 1.00 0.00 C ATOM 0 H ILE A 5 1.652 0.910 -4.600 1.00 0.00 H new ATOM 0 HA ILE A 5 1.363 0.566 -1.673 1.00 0.00 H new ATOM 0 HB ILE A 5 -0.701 -0.098 -2.748 1.00 0.00 H new ATOM 0 HG12 ILE A 5 1.024 -2.392 -1.598 1.00 0.00 H new ATOM 0 HG13 ILE A 5 0.446 -1.066 -0.609 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -0.978 -2.209 -3.876 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -0.162 -0.966 -4.854 1.00 0.00 H new ATOM 0 HG23 ILE A 5 0.782 -2.290 -4.131 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -0.959 -3.059 -0.311 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -1.900 -1.742 -1.050 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -1.313 -3.089 -2.055 1.00 0.00 H new ATOM 77 N TYR A 6 3.609 -0.285 -1.763 1.00 0.00 N ATOM 78 CA TYR A 6 4.910 -0.932 -1.747 1.00 0.00 C ATOM 79 C TYR A 6 4.702 -2.383 -1.340 1.00 0.00 C ATOM 80 O TYR A 6 3.919 -2.661 -0.429 1.00 0.00 O ATOM 81 CB TYR A 6 5.886 -0.214 -0.820 1.00 0.00 C ATOM 82 CG TYR A 6 6.278 1.170 -1.299 1.00 0.00 C ATOM 83 CD1 TYR A 6 5.384 2.245 -1.150 1.00 0.00 C ATOM 84 CD2 TYR A 6 7.543 1.392 -1.878 1.00 0.00 C ATOM 85 CE1 TYR A 6 5.767 3.542 -1.510 1.00 0.00 C ATOM 86 CE2 TYR A 6 7.948 2.697 -2.216 1.00 0.00 C ATOM 87 CZ TYR A 6 7.063 3.779 -2.006 1.00 0.00 C ATOM 88 OH TYR A 6 7.440 5.059 -2.251 1.00 0.00 O ATOM 0 H TYR A 6 3.433 0.357 -0.990 1.00 0.00 H new ATOM 0 HA TYR A 6 5.360 -0.889 -2.739 1.00 0.00 H new ATOM 0 HB2 TYR A 6 5.439 -0.132 0.171 1.00 0.00 H new ATOM 0 HB3 TYR A 6 6.786 -0.820 -0.715 1.00 0.00 H new ATOM 0 HD1 TYR A 6 4.395 2.068 -0.755 1.00 0.00 H new ATOM 0 HD2 TYR A 6 8.204 0.558 -2.063 1.00 0.00 H new ATOM 0 HE1 TYR A 6 5.069 4.360 -1.407 1.00 0.00 H new ATOM 0 HE2 TYR A 6 8.929 2.871 -2.633 1.00 0.00 H new ATOM 0 HH TYR A 6 8.360 5.070 -2.589 1.00 0.00 H new ATOM 98 N THR A 7 5.369 -3.301 -2.034 1.00 0.00 N ATOM 99 CA THR A 7 5.255 -4.739 -1.846 1.00 0.00 C ATOM 100 C THR A 7 6.641 -5.376 -1.996 1.00 0.00 C ATOM 101 O THR A 7 7.613 -4.659 -2.223 1.00 0.00 O ATOM 102 CB THR A 7 4.196 -5.322 -2.808 1.00 0.00 C ATOM 103 OG1 THR A 7 4.537 -5.130 -4.167 1.00 0.00 O ATOM 104 CG2 THR A 7 2.800 -4.719 -2.626 1.00 0.00 C ATOM 0 H THR A 7 6.029 -3.051 -2.771 1.00 0.00 H new ATOM 0 HA THR A 7 4.903 -4.970 -0.841 1.00 0.00 H new ATOM 0 HB THR A 7 4.178 -6.381 -2.552 1.00 0.00 H new ATOM 0 HG1 THR A 7 3.840 -5.516 -4.737 1.00 0.00 H new ATOM 0 HG21 THR A 7 2.111 -5.177 -3.335 1.00 0.00 H new ATOM 0 HG22 THR A 7 2.453 -4.906 -1.610 1.00 0.00 H new ATOM 0 HG23 THR A 7 2.842 -3.644 -2.803 1.00 0.00 H new ATOM 112 N LYS A 8 6.781 -6.695 -1.844 1.00 0.00 N ATOM 113 CA LYS A 8 8.023 -7.386 -2.195 1.00 0.00 C ATOM 114 C LYS A 8 7.689 -8.868 -2.371 1.00 0.00 C ATOM 115 O LYS A 8 6.560 -9.286 -2.109 1.00 0.00 O ATOM 116 CB LYS A 8 9.158 -7.236 -1.141 1.00 0.00 C ATOM 117 CG LYS A 8 8.725 -6.762 0.252 1.00 0.00 C ATOM 118 CD LYS A 8 9.652 -7.207 1.393 1.00 0.00 C ATOM 119 CE LYS A 8 9.593 -8.736 1.477 1.00 0.00 C ATOM 120 NZ LYS A 8 10.068 -9.289 2.753 1.00 0.00 N ATOM 0 H LYS A 8 6.049 -7.306 -1.480 1.00 0.00 H new ATOM 0 HA LYS A 8 8.407 -6.930 -3.108 1.00 0.00 H new ATOM 0 HB2 LYS A 8 9.658 -8.199 -1.036 1.00 0.00 H new ATOM 0 HB3 LYS A 8 9.896 -6.534 -1.529 1.00 0.00 H new ATOM 0 HG2 LYS A 8 8.669 -5.673 0.250 1.00 0.00 H new ATOM 0 HG3 LYS A 8 7.720 -7.133 0.452 1.00 0.00 H new ATOM 0 HD2 LYS A 8 10.673 -6.874 1.207 1.00 0.00 H new ATOM 0 HD3 LYS A 8 9.338 -6.760 2.336 1.00 0.00 H new ATOM 0 HE2 LYS A 8 8.564 -9.058 1.315 1.00 0.00 H new ATOM 0 HE3 LYS A 8 10.190 -9.156 0.667 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 10.092 -10.327 2.694 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 11.024 -8.931 2.952 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 9.424 -9.001 3.517 1.00 0.00 H new ATOM 134 N GLU A 9 8.719 -9.646 -2.687 1.00 0.00 N ATOM 135 CA GLU A 9 8.773 -11.090 -2.877 1.00 0.00 C ATOM 136 C GLU A 9 8.107 -11.892 -1.749 1.00 0.00 C ATOM 137 O GLU A 9 7.593 -12.983 -1.995 1.00 0.00 O ATOM 138 CB GLU A 9 10.254 -11.485 -3.057 1.00 0.00 C ATOM 139 CG GLU A 9 11.044 -11.360 -1.743 1.00 0.00 C ATOM 140 CD GLU A 9 12.560 -11.387 -1.905 1.00 0.00 C ATOM 141 OE1 GLU A 9 13.136 -12.487 -2.062 1.00 0.00 O ATOM 142 OE2 GLU A 9 13.210 -10.340 -1.670 1.00 0.00 O ATOM 0 H GLU A 9 9.640 -9.232 -2.832 1.00 0.00 H new ATOM 0 HA GLU A 9 8.193 -11.342 -3.765 1.00 0.00 H new ATOM 0 HB2 GLU A 9 10.315 -12.511 -3.421 1.00 0.00 H new ATOM 0 HB3 GLU A 9 10.710 -10.850 -3.817 1.00 0.00 H new ATOM 0 HG2 GLU A 9 10.761 -10.429 -1.252 1.00 0.00 H new ATOM 0 HG3 GLU A 9 10.749 -12.172 -1.079 1.00 0.00 H new ATOM 149 N THR A 10 8.106 -11.374 -0.519 1.00 0.00 N ATOM 150 CA THR A 10 7.634 -12.084 0.674 1.00 0.00 C ATOM 151 C THR A 10 6.819 -11.161 1.574 1.00 0.00 C ATOM 152 O THR A 10 7.369 -10.516 2.469 1.00 0.00 O ATOM 153 CB THR A 10 8.813 -12.717 1.443 1.00 0.00 C ATOM 154 OG1 THR A 10 9.955 -11.868 1.466 1.00 0.00 O ATOM 155 CG2 THR A 10 9.207 -14.055 0.835 1.00 0.00 C ATOM 0 H THR A 10 8.440 -10.431 -0.319 1.00 0.00 H new ATOM 0 HA THR A 10 6.979 -12.891 0.347 1.00 0.00 H new ATOM 0 HB THR A 10 8.468 -12.865 2.466 1.00 0.00 H new ATOM 0 HG1 THR A 10 10.546 -12.134 2.201 1.00 0.00 H new ATOM 0 HG21 THR A 10 10.040 -14.479 1.396 1.00 0.00 H new ATOM 0 HG22 THR A 10 8.358 -14.737 0.875 1.00 0.00 H new ATOM 0 HG23 THR A 10 9.506 -13.909 -0.203 1.00 0.00 H new ATOM 163 N CYS A 11 5.514 -11.032 1.333 1.00 0.00 N ATOM 164 CA CYS A 11 4.679 -10.134 2.110 1.00 0.00 C ATOM 165 C CYS A 11 3.207 -10.580 2.044 1.00 0.00 C ATOM 166 O CYS A 11 2.461 -10.115 1.179 1.00 0.00 O ATOM 167 CB CYS A 11 4.899 -8.721 1.568 1.00 0.00 C ATOM 168 SG CYS A 11 3.949 -7.440 2.404 1.00 0.00 S ATOM 0 H CYS A 11 5.017 -11.542 0.603 1.00 0.00 H new ATOM 0 HA CYS A 11 4.948 -10.152 3.166 1.00 0.00 H new ATOM 0 HB2 CYS A 11 5.959 -8.478 1.645 1.00 0.00 H new ATOM 0 HB3 CYS A 11 4.646 -8.709 0.508 1.00 0.00 H new ATOM 173 N PRO A 12 2.724 -11.423 2.976 1.00 0.00 N ATOM 174 CA PRO A 12 1.337 -11.883 2.971 1.00 0.00 C ATOM 175 C PRO A 12 0.346 -10.728 3.165 1.00 0.00 C ATOM 176 O PRO A 12 -0.752 -10.767 2.611 1.00 0.00 O ATOM 177 CB PRO A 12 1.243 -12.935 4.080 1.00 0.00 C ATOM 178 CG PRO A 12 2.374 -12.556 5.031 1.00 0.00 C ATOM 179 CD PRO A 12 3.444 -11.994 4.100 1.00 0.00 C ATOM 0 HA PRO A 12 1.064 -12.313 2.007 1.00 0.00 H new ATOM 0 HB2 PRO A 12 0.274 -12.907 4.578 1.00 0.00 H new ATOM 0 HB3 PRO A 12 1.370 -13.944 3.687 1.00 0.00 H new ATOM 0 HG2 PRO A 12 2.052 -11.817 5.765 1.00 0.00 H new ATOM 0 HG3 PRO A 12 2.738 -13.420 5.587 1.00 0.00 H new ATOM 0 HD2 PRO A 12 4.045 -11.238 4.605 1.00 0.00 H new ATOM 0 HD3 PRO A 12 4.127 -12.777 3.771 1.00 0.00 H new ATOM 187 N TYR A 13 0.745 -9.642 3.842 1.00 0.00 N ATOM 188 CA TYR A 13 -0.102 -8.460 3.974 1.00 0.00 C ATOM 189 C TYR A 13 -0.154 -7.699 2.648 1.00 0.00 C ATOM 190 O TYR A 13 -1.162 -7.065 2.354 1.00 0.00 O ATOM 191 CB TYR A 13 0.447 -7.511 5.052 1.00 0.00 C ATOM 192 CG TYR A 13 0.014 -7.741 6.485 1.00 0.00 C ATOM 193 CD1 TYR A 13 -0.339 -9.019 6.951 1.00 0.00 C ATOM 194 CD2 TYR A 13 -0.025 -6.644 7.369 1.00 0.00 C ATOM 195 CE1 TYR A 13 -0.712 -9.201 8.291 1.00 0.00 C ATOM 196 CE2 TYR A 13 -0.415 -6.821 8.706 1.00 0.00 C ATOM 197 CZ TYR A 13 -0.737 -8.109 9.182 1.00 0.00 C ATOM 198 OH TYR A 13 -1.001 -8.330 10.498 1.00 0.00 O ATOM 0 H TYR A 13 1.650 -9.563 4.305 1.00 0.00 H new ATOM 0 HA TYR A 13 -1.099 -8.797 4.257 1.00 0.00 H new ATOM 0 HB2 TYR A 13 1.535 -7.561 5.019 1.00 0.00 H new ATOM 0 HB3 TYR A 13 0.167 -6.494 4.777 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -0.323 -9.862 6.276 1.00 0.00 H new ATOM 0 HD2 TYR A 13 0.247 -5.660 7.015 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -0.982 -10.186 8.643 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -0.468 -5.971 9.370 1.00 0.00 H new ATOM 0 HH TYR A 13 -0.982 -7.479 10.983 1.00 0.00 H new ATOM 208 N CYS A 14 0.892 -7.756 1.825 1.00 0.00 N ATOM 209 CA CYS A 14 0.888 -7.151 0.504 1.00 0.00 C ATOM 210 C CYS A 14 -0.108 -7.888 -0.371 1.00 0.00 C ATOM 211 O CYS A 14 -0.953 -7.235 -0.979 1.00 0.00 O ATOM 212 CB CYS A 14 2.277 -7.178 -0.117 1.00 0.00 C ATOM 213 SG CYS A 14 3.506 -6.250 0.829 1.00 0.00 S ATOM 0 H CYS A 14 1.766 -8.226 2.061 1.00 0.00 H new ATOM 0 HA CYS A 14 0.594 -6.105 0.590 1.00 0.00 H new ATOM 0 HB2 CYS A 14 2.606 -8.213 -0.208 1.00 0.00 H new ATOM 0 HB3 CYS A 14 2.223 -6.771 -1.127 1.00 0.00 H new ATOM 218 N HIS A 15 -0.055 -9.226 -0.371 1.00 0.00 N ATOM 219 CA HIS A 15 -1.095 -10.050 -0.975 1.00 0.00 C ATOM 220 C HIS A 15 -2.454 -9.586 -0.455 1.00 0.00 C ATOM 221 O HIS A 15 -3.318 -9.289 -1.270 1.00 0.00 O ATOM 222 CB HIS A 15 -0.843 -11.551 -0.713 1.00 0.00 C ATOM 223 CG HIS A 15 -2.110 -12.346 -0.493 1.00 0.00 C ATOM 224 ND1 HIS A 15 -3.124 -12.555 -1.413 1.00 0.00 N ATOM 225 CD2 HIS A 15 -2.514 -12.851 0.710 1.00 0.00 C ATOM 226 CE1 HIS A 15 -4.133 -13.163 -0.759 1.00 0.00 C ATOM 227 NE2 HIS A 15 -3.772 -13.381 0.522 1.00 0.00 N ATOM 0 H HIS A 15 0.707 -9.760 0.046 1.00 0.00 H new ATOM 0 HA HIS A 15 -1.079 -9.929 -2.058 1.00 0.00 H new ATOM 0 HB2 HIS A 15 -0.301 -11.973 -1.559 1.00 0.00 H new ATOM 0 HB3 HIS A 15 -0.201 -11.656 0.162 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -1.954 -12.837 1.633 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -5.084 -13.434 -1.193 1.00 0.00 H new ATOM 0 HE2 HIS A 15 -4.333 -13.856 1.229 1.00 0.00 H new ATOM 236 N ARG A 16 -2.666 -9.508 0.867 1.00 0.00 N ATOM 237 CA ARG A 16 -3.969 -9.157 1.421 1.00 0.00 C ATOM 238 C ARG A 16 -4.452 -7.816 0.884 1.00 0.00 C ATOM 239 O ARG A 16 -5.561 -7.742 0.363 1.00 0.00 O ATOM 240 CB ARG A 16 -3.956 -9.142 2.960 1.00 0.00 C ATOM 241 CG ARG A 16 -3.866 -10.532 3.616 1.00 0.00 C ATOM 242 CD ARG A 16 -5.214 -11.063 4.136 1.00 0.00 C ATOM 243 NE ARG A 16 -6.230 -11.237 3.079 1.00 0.00 N ATOM 244 CZ ARG A 16 -7.182 -12.177 3.044 1.00 0.00 C ATOM 245 NH1 ARG A 16 -7.411 -12.943 4.104 1.00 0.00 N ATOM 246 NH2 ARG A 16 -7.891 -12.336 1.935 1.00 0.00 N ATOM 0 H ARG A 16 -1.947 -9.685 1.568 1.00 0.00 H new ATOM 0 HA ARG A 16 -4.666 -9.932 1.102 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -3.111 -8.541 3.297 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -4.861 -8.647 3.313 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -3.463 -11.240 2.892 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -3.160 -10.487 4.445 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -5.051 -12.020 4.632 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -5.599 -10.375 4.889 1.00 0.00 H new ATOM 0 HE ARG A 16 -6.204 -10.578 2.301 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -6.860 -12.817 4.953 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -8.138 -13.657 4.070 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -7.708 -11.746 1.123 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -8.620 -13.048 1.893 1.00 0.00 H new ATOM 260 N ALA A 17 -3.648 -6.764 1.002 1.00 0.00 N ATOM 261 CA ALA A 17 -4.051 -5.440 0.571 1.00 0.00 C ATOM 262 C ALA A 17 -4.278 -5.403 -0.941 1.00 0.00 C ATOM 263 O ALA A 17 -5.310 -4.904 -1.375 1.00 0.00 O ATOM 264 CB ALA A 17 -2.979 -4.424 0.968 1.00 0.00 C ATOM 0 H ALA A 17 -2.708 -6.809 1.396 1.00 0.00 H new ATOM 0 HA ALA A 17 -4.991 -5.185 1.060 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -3.283 -3.429 0.643 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -2.855 -4.430 2.051 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -2.034 -4.688 0.493 1.00 0.00 H new ATOM 270 N LYS A 18 -3.357 -5.921 -1.762 1.00 0.00 N ATOM 271 CA LYS A 18 -3.569 -5.931 -3.209 1.00 0.00 C ATOM 272 C LYS A 18 -4.811 -6.732 -3.571 1.00 0.00 C ATOM 273 O LYS A 18 -5.574 -6.291 -4.421 1.00 0.00 O ATOM 274 CB LYS A 18 -2.356 -6.475 -3.970 1.00 0.00 C ATOM 275 CG LYS A 18 -1.249 -5.423 -4.137 1.00 0.00 C ATOM 276 CD LYS A 18 -0.083 -5.894 -5.021 1.00 0.00 C ATOM 277 CE LYS A 18 -0.561 -6.516 -6.339 1.00 0.00 C ATOM 278 NZ LYS A 18 0.472 -6.502 -7.392 1.00 0.00 N ATOM 0 H LYS A 18 -2.475 -6.331 -1.455 1.00 0.00 H new ATOM 0 HA LYS A 18 -3.712 -4.894 -3.511 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -1.955 -7.339 -3.440 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -2.674 -6.823 -4.953 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -1.680 -4.519 -4.569 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -0.863 -5.154 -3.154 1.00 0.00 H new ATOM 0 HD2 LYS A 18 0.570 -5.048 -5.237 1.00 0.00 H new ATOM 0 HD3 LYS A 18 0.513 -6.624 -4.473 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -0.872 -7.545 -6.157 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -1.439 -5.975 -6.692 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 0.186 -7.134 -8.167 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 0.582 -5.535 -7.757 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 1.377 -6.827 -6.995 1.00 0.00 H new ATOM 292 N ALA A 19 -5.058 -7.861 -2.911 1.00 0.00 N ATOM 293 CA ALA A 19 -6.247 -8.662 -3.137 1.00 0.00 C ATOM 294 C ALA A 19 -7.510 -7.909 -2.715 1.00 0.00 C ATOM 295 O ALA A 19 -8.560 -8.144 -3.308 1.00 0.00 O ATOM 296 CB ALA A 19 -6.123 -9.999 -2.404 1.00 0.00 C ATOM 0 H ALA A 19 -4.433 -8.243 -2.202 1.00 0.00 H new ATOM 0 HA ALA A 19 -6.335 -8.862 -4.205 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -7.019 -10.594 -2.579 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -5.251 -10.538 -2.775 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -6.010 -9.819 -1.335 1.00 0.00 H new ATOM 302 N LEU A 20 -7.425 -6.979 -1.757 1.00 0.00 N ATOM 303 CA LEU A 20 -8.539 -6.114 -1.374 1.00 0.00 C ATOM 304 C LEU A 20 -8.846 -5.204 -2.558 1.00 0.00 C ATOM 305 O LEU A 20 -9.963 -5.184 -3.061 1.00 0.00 O ATOM 306 CB LEU A 20 -8.185 -5.293 -0.118 1.00 0.00 C ATOM 307 CG LEU A 20 -9.395 -4.579 0.512 1.00 0.00 C ATOM 308 CD1 LEU A 20 -10.155 -5.524 1.441 1.00 0.00 C ATOM 309 CD2 LEU A 20 -8.917 -3.383 1.341 1.00 0.00 C ATOM 0 H LEU A 20 -6.573 -6.807 -1.223 1.00 0.00 H new ATOM 0 HA LEU A 20 -9.417 -6.711 -1.125 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -7.737 -5.954 0.624 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -7.431 -4.550 -0.380 1.00 0.00 H new ATOM 0 HG LEU A 20 -10.050 -4.250 -0.295 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -11.006 -5.000 1.876 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -10.510 -6.384 0.874 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -9.492 -5.863 2.237 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -9.777 -2.881 1.785 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -8.252 -3.731 2.132 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -8.382 -2.685 0.697 1.00 0.00 H new ATOM 321 N LEU A 21 -7.830 -4.490 -3.046 1.00 0.00 N ATOM 322 CA LEU A 21 -7.963 -3.539 -4.144 1.00 0.00 C ATOM 323 C LEU A 21 -8.379 -4.223 -5.445 1.00 0.00 C ATOM 324 O LEU A 21 -9.154 -3.671 -6.220 1.00 0.00 O ATOM 325 CB LEU A 21 -6.637 -2.803 -4.358 1.00 0.00 C ATOM 326 CG LEU A 21 -6.089 -2.028 -3.145 1.00 0.00 C ATOM 327 CD1 LEU A 21 -4.971 -1.107 -3.624 1.00 0.00 C ATOM 328 CD2 LEU A 21 -7.154 -1.222 -2.396 1.00 0.00 C ATOM 0 H LEU A 21 -6.880 -4.559 -2.682 1.00 0.00 H new ATOM 0 HA LEU A 21 -8.746 -2.831 -3.871 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -5.887 -3.531 -4.668 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -6.762 -2.103 -5.184 1.00 0.00 H new ATOM 0 HG LEU A 21 -5.717 -2.761 -2.429 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -4.571 -0.550 -2.777 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -4.177 -1.703 -4.074 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -5.366 -0.410 -4.363 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -6.693 -0.704 -1.555 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -7.600 -0.492 -3.072 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -7.928 -1.896 -2.027 1.00 0.00 H new ATOM 340 N SER A 22 -7.903 -5.437 -5.679 1.00 0.00 N ATOM 341 CA SER A 22 -8.288 -6.279 -6.796 1.00 0.00 C ATOM 342 C SER A 22 -9.736 -6.740 -6.618 1.00 0.00 C ATOM 343 O SER A 22 -10.479 -6.791 -7.590 1.00 0.00 O ATOM 344 CB SER A 22 -7.286 -7.435 -6.849 1.00 0.00 C ATOM 345 OG SER A 22 -7.350 -8.231 -8.015 1.00 0.00 O ATOM 0 H SER A 22 -7.212 -5.877 -5.071 1.00 0.00 H new ATOM 0 HA SER A 22 -8.258 -5.747 -7.747 1.00 0.00 H new ATOM 0 HB2 SER A 22 -6.279 -7.027 -6.761 1.00 0.00 H new ATOM 0 HB3 SER A 22 -7.447 -8.075 -5.982 1.00 0.00 H new ATOM 0 HG SER A 22 -6.676 -8.941 -7.964 1.00 0.00 H new ATOM 351 N SER A 23 -10.189 -6.995 -5.389 1.00 0.00 N ATOM 352 CA SER A 23 -11.590 -7.291 -5.122 1.00 0.00 C ATOM 353 C SER A 23 -12.475 -6.037 -5.211 1.00 0.00 C ATOM 354 O SER A 23 -13.702 -6.165 -5.183 1.00 0.00 O ATOM 355 CB SER A 23 -11.737 -7.984 -3.767 1.00 0.00 C ATOM 356 OG SER A 23 -10.947 -9.164 -3.710 1.00 0.00 O ATOM 0 H SER A 23 -9.596 -7.001 -4.559 1.00 0.00 H new ATOM 0 HA SER A 23 -11.939 -7.972 -5.898 1.00 0.00 H new ATOM 0 HB2 SER A 23 -11.437 -7.302 -2.971 1.00 0.00 H new ATOM 0 HB3 SER A 23 -12.784 -8.234 -3.594 1.00 0.00 H new ATOM 0 HG SER A 23 -10.027 -8.930 -3.467 1.00 0.00 H new ATOM 362 N LYS A 24 -11.902 -4.828 -5.274 1.00 0.00 N ATOM 363 CA LYS A 24 -12.613 -3.607 -5.598 1.00 0.00 C ATOM 364 C LYS A 24 -12.519 -3.373 -7.113 1.00 0.00 C ATOM 365 O LYS A 24 -13.412 -2.750 -7.679 1.00 0.00 O ATOM 366 CB LYS A 24 -11.970 -2.443 -4.837 1.00 0.00 C ATOM 367 CG LYS A 24 -12.119 -2.442 -3.313 1.00 0.00 C ATOM 368 CD LYS A 24 -13.530 -2.069 -2.842 1.00 0.00 C ATOM 369 CE LYS A 24 -13.414 -1.667 -1.372 1.00 0.00 C ATOM 370 NZ LYS A 24 -14.680 -1.195 -0.782 1.00 0.00 N ATOM 0 H LYS A 24 -10.909 -4.680 -5.095 1.00 0.00 H new ATOM 0 HA LYS A 24 -13.662 -3.682 -5.311 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -10.906 -2.430 -5.073 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -12.392 -1.514 -5.219 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -11.865 -3.430 -2.929 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -11.403 -1.740 -2.885 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -13.931 -1.248 -3.436 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -14.212 -2.911 -2.960 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -13.053 -2.521 -0.799 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -12.665 -0.881 -1.278 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -14.550 -1.037 0.238 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -14.964 -0.304 -1.237 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -15.420 -1.910 -0.930 1.00 0.00 H new ATOM 384 N GLY A 25 -11.468 -3.862 -7.777 1.00 0.00 N ATOM 385 CA GLY A 25 -11.273 -3.763 -9.210 1.00 0.00 C ATOM 386 C GLY A 25 -10.899 -2.340 -9.573 1.00 0.00 C ATOM 387 O GLY A 25 -11.574 -1.727 -10.402 1.00 0.00 O ATOM 0 H GLY A 25 -10.708 -4.353 -7.307 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -10.488 -4.449 -9.529 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -12.184 -4.055 -9.733 1.00 0.00 H new ATOM 391 N VAL A 26 -9.858 -1.801 -8.936 1.00 0.00 N ATOM 392 CA VAL A 26 -9.475 -0.390 -9.068 1.00 0.00 C ATOM 393 C VAL A 26 -8.131 -0.223 -9.778 1.00 0.00 C ATOM 394 O VAL A 26 -7.366 -1.179 -9.917 1.00 0.00 O ATOM 395 CB VAL A 26 -9.470 0.298 -7.690 1.00 0.00 C ATOM 396 CG1 VAL A 26 -10.818 0.115 -6.983 1.00 0.00 C ATOM 397 CG2 VAL A 26 -8.290 -0.160 -6.819 1.00 0.00 C ATOM 0 H VAL A 26 -9.252 -2.332 -8.310 1.00 0.00 H new ATOM 0 HA VAL A 26 -10.222 0.098 -9.694 1.00 0.00 H new ATOM 0 HB VAL A 26 -9.328 1.366 -7.855 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -10.790 0.610 -6.012 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -11.610 0.553 -7.590 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -11.014 -0.948 -6.843 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -8.328 0.351 -5.857 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -8.351 -1.237 -6.660 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -7.353 0.080 -7.321 1.00 0.00 H new ATOM 407 N SER A 27 -7.827 1.010 -10.171 1.00 0.00 N ATOM 408 CA SER A 27 -6.530 1.434 -10.658 1.00 0.00 C ATOM 409 C SER A 27 -5.657 1.724 -9.435 1.00 0.00 C ATOM 410 O SER A 27 -6.020 2.571 -8.618 1.00 0.00 O ATOM 411 CB SER A 27 -6.718 2.698 -11.509 1.00 0.00 C ATOM 412 OG SER A 27 -7.483 2.422 -12.676 1.00 0.00 O ATOM 0 H SER A 27 -8.509 1.768 -10.156 1.00 0.00 H new ATOM 0 HA SER A 27 -6.056 0.670 -11.274 1.00 0.00 H new ATOM 0 HB2 SER A 27 -7.215 3.467 -10.918 1.00 0.00 H new ATOM 0 HB3 SER A 27 -5.744 3.096 -11.795 1.00 0.00 H new ATOM 0 HG SER A 27 -7.589 3.244 -13.199 1.00 0.00 H new ATOM 418 N PHE A 28 -4.535 1.021 -9.291 1.00 0.00 N ATOM 419 CA PHE A 28 -3.490 1.317 -8.313 1.00 0.00 C ATOM 420 C PHE A 28 -2.115 0.986 -8.922 1.00 0.00 C ATOM 421 O PHE A 28 -2.049 0.329 -9.961 1.00 0.00 O ATOM 422 CB PHE A 28 -3.753 0.556 -7.006 1.00 0.00 C ATOM 423 CG PHE A 28 -3.671 -0.956 -7.095 1.00 0.00 C ATOM 424 CD1 PHE A 28 -2.435 -1.622 -6.998 1.00 0.00 C ATOM 425 CD2 PHE A 28 -4.846 -1.704 -7.272 1.00 0.00 C ATOM 426 CE1 PHE A 28 -2.380 -3.023 -7.094 1.00 0.00 C ATOM 427 CE2 PHE A 28 -4.799 -3.103 -7.322 1.00 0.00 C ATOM 428 CZ PHE A 28 -3.564 -3.769 -7.241 1.00 0.00 C ATOM 0 H PHE A 28 -4.322 0.207 -9.868 1.00 0.00 H new ATOM 0 HA PHE A 28 -3.498 2.378 -8.065 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -3.036 0.897 -6.259 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -4.745 0.827 -6.643 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -1.527 -1.056 -6.850 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -5.794 -1.196 -7.370 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -1.426 -3.528 -7.055 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -5.712 -3.670 -7.423 1.00 0.00 H new ATOM 0 HZ PHE A 28 -3.524 -4.847 -7.291 1.00 0.00 H new ATOM 438 N GLN A 29 -1.015 1.376 -8.276 1.00 0.00 N ATOM 439 CA GLN A 29 0.348 0.998 -8.666 1.00 0.00 C ATOM 440 C GLN A 29 0.956 0.239 -7.505 1.00 0.00 C ATOM 441 O GLN A 29 0.697 0.610 -6.363 1.00 0.00 O ATOM 442 CB GLN A 29 1.177 2.257 -8.966 1.00 0.00 C ATOM 443 CG GLN A 29 2.700 2.096 -8.836 1.00 0.00 C ATOM 444 CD GLN A 29 3.451 3.155 -9.629 1.00 0.00 C ATOM 445 OE1 GLN A 29 4.101 2.838 -10.625 1.00 0.00 O ATOM 446 NE2 GLN A 29 3.381 4.413 -9.229 1.00 0.00 N ATOM 0 H GLN A 29 -1.045 1.975 -7.451 1.00 0.00 H new ATOM 0 HA GLN A 29 0.335 0.381 -9.564 1.00 0.00 H new ATOM 0 HB2 GLN A 29 0.950 2.587 -9.980 1.00 0.00 H new ATOM 0 HB3 GLN A 29 0.855 3.051 -8.293 1.00 0.00 H new ATOM 0 HG2 GLN A 29 2.984 2.160 -7.785 1.00 0.00 H new ATOM 0 HG3 GLN A 29 2.992 1.106 -9.185 1.00 0.00 H new ATOM 0 HE21 GLN A 29 2.837 4.655 -8.401 1.00 0.00 H new ATOM 0 HE22 GLN A 29 3.871 5.141 -9.748 1.00 0.00 H new ATOM 455 N GLU A 30 1.828 -0.735 -7.765 1.00 0.00 N ATOM 456 CA GLU A 30 2.621 -1.380 -6.733 1.00 0.00 C ATOM 457 C GLU A 30 4.105 -1.105 -6.948 1.00 0.00 C ATOM 458 O GLU A 30 4.548 -0.817 -8.062 1.00 0.00 O ATOM 459 CB GLU A 30 2.306 -2.878 -6.581 1.00 0.00 C ATOM 460 CG GLU A 30 2.719 -3.757 -7.766 1.00 0.00 C ATOM 461 CD GLU A 30 1.758 -3.599 -8.939 1.00 0.00 C ATOM 462 OE1 GLU A 30 0.663 -4.205 -8.888 1.00 0.00 O ATOM 463 OE2 GLU A 30 2.088 -2.888 -9.912 1.00 0.00 O ATOM 0 H GLU A 30 2.001 -1.096 -8.703 1.00 0.00 H new ATOM 0 HA GLU A 30 2.338 -0.937 -5.778 1.00 0.00 H new ATOM 0 HB2 GLU A 30 2.804 -3.248 -5.685 1.00 0.00 H new ATOM 0 HB3 GLU A 30 1.234 -2.993 -6.421 1.00 0.00 H new ATOM 0 HG2 GLU A 30 3.728 -3.493 -8.082 1.00 0.00 H new ATOM 0 HG3 GLU A 30 2.746 -4.801 -7.454 1.00 0.00 H new ATOM 470 N LEU A 31 4.864 -1.177 -5.856 1.00 0.00 N ATOM 471 CA LEU A 31 6.273 -0.803 -5.799 1.00 0.00 C ATOM 472 C LEU A 31 7.051 -1.919 -5.114 1.00 0.00 C ATOM 473 O LEU A 31 7.058 -1.975 -3.884 1.00 0.00 O ATOM 474 CB LEU A 31 6.451 0.548 -5.108 1.00 0.00 C ATOM 475 CG LEU A 31 5.732 1.649 -5.905 1.00 0.00 C ATOM 476 CD1 LEU A 31 4.498 2.150 -5.165 1.00 0.00 C ATOM 477 CD2 LEU A 31 6.686 2.785 -6.202 1.00 0.00 C ATOM 0 H LEU A 31 4.503 -1.507 -4.961 1.00 0.00 H new ATOM 0 HA LEU A 31 6.669 -0.681 -6.807 1.00 0.00 H new ATOM 0 HB2 LEU A 31 6.052 0.502 -4.095 1.00 0.00 H new ATOM 0 HB3 LEU A 31 7.512 0.784 -5.022 1.00 0.00 H new ATOM 0 HG LEU A 31 5.395 1.223 -6.850 1.00 0.00 H new ATOM 0 HD11 LEU A 31 4.011 2.928 -5.754 1.00 0.00 H new ATOM 0 HD12 LEU A 31 3.805 1.323 -5.012 1.00 0.00 H new ATOM 0 HD13 LEU A 31 4.794 2.558 -4.199 1.00 0.00 H new ATOM 0 HD21 LEU A 31 6.166 3.559 -6.767 1.00 0.00 H new ATOM 0 HD22 LEU A 31 7.055 3.205 -5.266 1.00 0.00 H new ATOM 0 HD23 LEU A 31 7.526 2.411 -6.788 1.00 0.00 H new ATOM 489 N PRO A 32 7.626 -2.864 -5.868 1.00 0.00 N ATOM 490 CA PRO A 32 8.427 -3.935 -5.293 1.00 0.00 C ATOM 491 C PRO A 32 9.664 -3.330 -4.623 1.00 0.00 C ATOM 492 O PRO A 32 10.191 -2.335 -5.129 1.00 0.00 O ATOM 493 CB PRO A 32 8.828 -4.838 -6.466 1.00 0.00 C ATOM 494 CG PRO A 32 8.007 -4.331 -7.658 1.00 0.00 C ATOM 495 CD PRO A 32 7.732 -2.873 -7.313 1.00 0.00 C ATOM 0 HA PRO A 32 7.884 -4.502 -4.537 1.00 0.00 H new ATOM 0 HB2 PRO A 32 9.897 -4.772 -6.667 1.00 0.00 H new ATOM 0 HB3 PRO A 32 8.608 -5.884 -6.252 1.00 0.00 H new ATOM 0 HG2 PRO A 32 8.559 -4.424 -8.593 1.00 0.00 H new ATOM 0 HG3 PRO A 32 7.082 -4.896 -7.777 1.00 0.00 H new ATOM 0 HD2 PRO A 32 8.537 -2.224 -7.657 1.00 0.00 H new ATOM 0 HD3 PRO A 32 6.814 -2.519 -7.782 1.00 0.00 H new ATOM 503 N ILE A 33 10.147 -3.911 -3.518 1.00 0.00 N ATOM 504 CA ILE A 33 11.454 -3.539 -2.971 1.00 0.00 C ATOM 505 C ILE A 33 12.537 -4.392 -3.637 1.00 0.00 C ATOM 506 O ILE A 33 13.660 -3.923 -3.798 1.00 0.00 O ATOM 507 CB ILE A 33 11.571 -3.668 -1.436 1.00 0.00 C ATOM 508 CG1 ILE A 33 10.334 -3.200 -0.647 1.00 0.00 C ATOM 509 CG2 ILE A 33 12.790 -2.840 -0.971 1.00 0.00 C ATOM 510 CD1 ILE A 33 10.470 -3.452 0.861 1.00 0.00 C ATOM 0 H ILE A 33 9.657 -4.633 -2.991 1.00 0.00 H new ATOM 0 HA ILE A 33 11.583 -2.479 -3.190 1.00 0.00 H new ATOM 0 HB ILE A 33 11.675 -4.733 -1.228 1.00 0.00 H new ATOM 0 HG12 ILE A 33 10.177 -2.136 -0.822 1.00 0.00 H new ATOM 0 HG13 ILE A 33 9.451 -3.718 -1.021 1.00 0.00 H new ATOM 0 HG21 ILE A 33 12.891 -2.917 0.112 1.00 0.00 H new ATOM 0 HG22 ILE A 33 13.693 -3.222 -1.448 1.00 0.00 H new ATOM 0 HG23 ILE A 33 12.648 -1.796 -1.248 1.00 0.00 H new ATOM 0 HD11 ILE A 33 9.571 -3.104 1.371 1.00 0.00 H new ATOM 0 HD12 ILE A 33 10.599 -4.519 1.041 1.00 0.00 H new ATOM 0 HD13 ILE A 33 11.336 -2.912 1.243 1.00 0.00 H new ATOM 522 N ASP A 34 12.235 -5.639 -3.999 1.00 0.00 N ATOM 523 CA ASP A 34 13.149 -6.586 -4.606 1.00 0.00 C ATOM 524 C ASP A 34 13.614 -6.038 -5.952 1.00 0.00 C ATOM 525 O ASP A 34 12.877 -6.070 -6.936 1.00 0.00 O ATOM 526 CB ASP A 34 12.502 -7.983 -4.697 1.00 0.00 C ATOM 527 CG ASP A 34 11.067 -8.019 -5.234 1.00 0.00 C ATOM 528 OD1 ASP A 34 10.183 -7.496 -4.522 1.00 0.00 O ATOM 529 OD2 ASP A 34 10.811 -8.621 -6.306 1.00 0.00 O ATOM 0 H ASP A 34 11.301 -6.027 -3.868 1.00 0.00 H new ATOM 0 HA ASP A 34 14.036 -6.713 -3.985 1.00 0.00 H new ATOM 0 HB2 ASP A 34 13.125 -8.610 -5.335 1.00 0.00 H new ATOM 0 HB3 ASP A 34 12.510 -8.432 -3.704 1.00 0.00 H new ATOM 534 N GLY A 35 14.840 -5.510 -5.987 1.00 0.00 N ATOM 535 CA GLY A 35 15.460 -4.840 -7.127 1.00 0.00 C ATOM 536 C GLY A 35 15.898 -3.413 -6.783 1.00 0.00 C ATOM 537 O GLY A 35 16.777 -2.857 -7.447 1.00 0.00 O ATOM 0 H GLY A 35 15.458 -5.541 -5.176 1.00 0.00 H new ATOM 0 HA2 GLY A 35 16.324 -5.415 -7.459 1.00 0.00 H new ATOM 0 HA3 GLY A 35 14.756 -4.813 -7.959 1.00 0.00 H new ATOM 541 N ASN A 36 15.332 -2.810 -5.736 1.00 0.00 N ATOM 542 CA ASN A 36 15.653 -1.481 -5.237 1.00 0.00 C ATOM 543 C ASN A 36 16.856 -1.529 -4.305 1.00 0.00 C ATOM 544 O ASN A 36 17.389 -2.592 -3.982 1.00 0.00 O ATOM 545 CB ASN A 36 14.470 -0.829 -4.482 1.00 0.00 C ATOM 546 CG ASN A 36 13.106 -0.899 -5.143 1.00 0.00 C ATOM 547 OD1 ASN A 36 12.953 -1.369 -6.266 1.00 0.00 O ATOM 548 ND2 ASN A 36 12.085 -0.385 -4.479 1.00 0.00 N ATOM 0 H ASN A 36 14.600 -3.263 -5.188 1.00 0.00 H new ATOM 0 HA ASN A 36 15.879 -0.875 -6.114 1.00 0.00 H new ATOM 0 HB2 ASN A 36 14.395 -1.298 -3.501 1.00 0.00 H new ATOM 0 HB3 ASN A 36 14.712 0.221 -4.316 1.00 0.00 H new ATOM 0 HD21 ASN A 36 11.156 -0.376 -4.900 1.00 0.00 H new ATOM 0 HD22 ASN A 36 12.226 0.002 -3.546 1.00 0.00 H new ATOM 555 N ALA A 37 17.200 -0.350 -3.801 1.00 0.00 N ATOM 556 CA ALA A 37 18.139 -0.068 -2.739 1.00 0.00 C ATOM 557 C ALA A 37 17.829 1.356 -2.299 1.00 0.00 C ATOM 558 O ALA A 37 17.268 1.533 -1.222 1.00 0.00 O ATOM 559 CB ALA A 37 19.581 -0.198 -3.228 1.00 0.00 C ATOM 0 H ALA A 37 16.786 0.508 -4.164 1.00 0.00 H new ATOM 0 HA ALA A 37 18.042 -0.774 -1.914 1.00 0.00 H new ATOM 0 HB1 ALA A 37 20.265 0.020 -2.407 1.00 0.00 H new ATOM 0 HB2 ALA A 37 19.754 -1.213 -3.585 1.00 0.00 H new ATOM 0 HB3 ALA A 37 19.754 0.507 -4.041 1.00 0.00 H new ATOM 565 N ALA A 38 18.024 2.358 -3.162 1.00 0.00 N ATOM 566 CA ALA A 38 17.734 3.745 -2.818 1.00 0.00 C ATOM 567 C ALA A 38 16.263 3.916 -2.439 1.00 0.00 C ATOM 568 O ALA A 38 15.967 4.613 -1.467 1.00 0.00 O ATOM 569 CB ALA A 38 18.110 4.672 -3.970 1.00 0.00 C ATOM 0 H ALA A 38 18.384 2.228 -4.108 1.00 0.00 H new ATOM 0 HA ALA A 38 18.337 4.015 -1.951 1.00 0.00 H new ATOM 0 HB1 ALA A 38 17.887 5.703 -3.695 1.00 0.00 H new ATOM 0 HB2 ALA A 38 19.175 4.576 -4.182 1.00 0.00 H new ATOM 0 HB3 ALA A 38 17.538 4.401 -4.857 1.00 0.00 H new ATOM 575 N LYS A 39 15.328 3.249 -3.141 1.00 0.00 N ATOM 576 CA LYS A 39 13.912 3.340 -2.796 1.00 0.00 C ATOM 577 C LYS A 39 13.540 2.482 -1.591 1.00 0.00 C ATOM 578 O LYS A 39 12.495 2.712 -0.982 1.00 0.00 O ATOM 579 CB LYS A 39 13.028 3.110 -4.030 1.00 0.00 C ATOM 580 CG LYS A 39 12.858 4.467 -4.742 1.00 0.00 C ATOM 581 CD LYS A 39 11.972 4.467 -5.990 1.00 0.00 C ATOM 582 CE LYS A 39 10.498 4.273 -5.623 1.00 0.00 C ATOM 583 NZ LYS A 39 9.611 5.043 -6.527 1.00 0.00 N ATOM 0 H LYS A 39 15.532 2.650 -3.941 1.00 0.00 H new ATOM 0 HA LYS A 39 13.714 4.360 -2.467 1.00 0.00 H new ATOM 0 HB2 LYS A 39 13.486 2.382 -4.699 1.00 0.00 H new ATOM 0 HB3 LYS A 39 12.058 2.707 -3.737 1.00 0.00 H new ATOM 0 HG2 LYS A 39 12.445 5.179 -4.028 1.00 0.00 H new ATOM 0 HG3 LYS A 39 13.846 4.833 -5.023 1.00 0.00 H new ATOM 0 HD2 LYS A 39 12.095 5.408 -6.526 1.00 0.00 H new ATOM 0 HD3 LYS A 39 12.289 3.672 -6.664 1.00 0.00 H new ATOM 0 HE2 LYS A 39 10.244 3.214 -5.676 1.00 0.00 H new ATOM 0 HE3 LYS A 39 10.333 4.589 -4.593 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 8.619 4.891 -6.253 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 9.838 6.055 -6.457 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 9.752 4.724 -7.507 1.00 0.00 H new ATOM 597 N ARG A 40 14.376 1.513 -1.214 1.00 0.00 N ATOM 598 CA ARG A 40 14.227 0.805 0.057 1.00 0.00 C ATOM 599 C ARG A 40 14.505 1.792 1.178 1.00 0.00 C ATOM 600 O ARG A 40 13.665 1.920 2.060 1.00 0.00 O ATOM 601 CB ARG A 40 15.128 -0.441 0.150 1.00 0.00 C ATOM 602 CG ARG A 40 14.791 -1.333 1.366 1.00 0.00 C ATOM 603 CD ARG A 40 15.494 -0.961 2.680 1.00 0.00 C ATOM 604 NE ARG A 40 16.950 -1.089 2.543 1.00 0.00 N ATOM 605 CZ ARG A 40 17.764 -1.956 3.146 1.00 0.00 C ATOM 606 NH1 ARG A 40 17.350 -2.678 4.182 1.00 0.00 N ATOM 607 NH2 ARG A 40 19.001 -2.088 2.690 1.00 0.00 N ATOM 0 H ARG A 40 15.168 1.200 -1.775 1.00 0.00 H new ATOM 0 HA ARG A 40 13.209 0.425 0.140 1.00 0.00 H new ATOM 0 HB2 ARG A 40 15.026 -1.026 -0.764 1.00 0.00 H new ATOM 0 HB3 ARG A 40 16.170 -0.127 0.213 1.00 0.00 H new ATOM 0 HG2 ARG A 40 13.714 -1.300 1.530 1.00 0.00 H new ATOM 0 HG3 ARG A 40 15.045 -2.364 1.119 1.00 0.00 H new ATOM 0 HD2 ARG A 40 15.238 0.061 2.958 1.00 0.00 H new ATOM 0 HD3 ARG A 40 15.141 -1.608 3.483 1.00 0.00 H new ATOM 0 HE ARG A 40 17.396 -0.430 1.905 1.00 0.00 H new ATOM 0 HH11 ARG A 40 16.396 -2.574 4.528 1.00 0.00 H new ATOM 0 HH12 ARG A 40 17.986 -3.337 4.631 1.00 0.00 H new ATOM 0 HH21 ARG A 40 19.313 -1.532 1.893 1.00 0.00 H new ATOM 0 HH22 ARG A 40 19.641 -2.745 3.136 1.00 0.00 H new ATOM 621 N GLU A 41 15.636 2.502 1.149 1.00 0.00 N ATOM 622 CA GLU A 41 15.921 3.505 2.180 1.00 0.00 C ATOM 623 C GLU A 41 14.872 4.621 2.109 1.00 0.00 C ATOM 624 O GLU A 41 14.500 5.208 3.125 1.00 0.00 O ATOM 625 CB GLU A 41 17.351 4.099 2.129 1.00 0.00 C ATOM 626 CG GLU A 41 18.374 3.524 1.135 1.00 0.00 C ATOM 627 CD GLU A 41 18.850 2.098 1.438 1.00 0.00 C ATOM 628 OE1 GLU A 41 18.167 1.338 2.157 1.00 0.00 O ATOM 629 OE2 GLU A 41 19.937 1.703 0.951 1.00 0.00 O ATOM 0 H GLU A 41 16.359 2.404 0.436 1.00 0.00 H new ATOM 0 HA GLU A 41 15.867 2.983 3.135 1.00 0.00 H new ATOM 0 HB2 GLU A 41 17.255 5.164 1.920 1.00 0.00 H new ATOM 0 HB3 GLU A 41 17.779 4.008 3.127 1.00 0.00 H new ATOM 0 HG2 GLU A 41 17.935 3.539 0.137 1.00 0.00 H new ATOM 0 HG3 GLU A 41 19.243 4.182 1.111 1.00 0.00 H new ATOM 636 N GLU A 42 14.366 4.921 0.910 1.00 0.00 N ATOM 637 CA GLU A 42 13.334 5.928 0.696 1.00 0.00 C ATOM 638 C GLU A 42 12.042 5.579 1.418 1.00 0.00 C ATOM 639 O GLU A 42 11.246 6.473 1.682 1.00 0.00 O ATOM 640 CB GLU A 42 13.046 6.142 -0.784 1.00 0.00 C ATOM 641 CG GLU A 42 12.415 7.516 -1.058 1.00 0.00 C ATOM 642 CD GLU A 42 13.213 8.333 -2.072 1.00 0.00 C ATOM 643 OE1 GLU A 42 14.459 8.422 -1.944 1.00 0.00 O ATOM 644 OE2 GLU A 42 12.586 8.896 -2.999 1.00 0.00 O ATOM 0 H GLU A 42 14.669 4.462 0.051 1.00 0.00 H new ATOM 0 HA GLU A 42 13.727 6.855 1.112 1.00 0.00 H new ATOM 0 HB2 GLU A 42 13.973 6.050 -1.350 1.00 0.00 H new ATOM 0 HB3 GLU A 42 12.376 5.359 -1.139 1.00 0.00 H new ATOM 0 HG2 GLU A 42 11.398 7.379 -1.426 1.00 0.00 H new ATOM 0 HG3 GLU A 42 12.343 8.072 -0.123 1.00 0.00 H new ATOM 651 N MET A 43 11.796 4.302 1.725 1.00 0.00 N ATOM 652 CA MET A 43 10.631 3.927 2.497 1.00 0.00 C ATOM 653 C MET A 43 10.532 4.703 3.815 1.00 0.00 C ATOM 654 O MET A 43 9.429 4.949 4.298 1.00 0.00 O ATOM 655 CB MET A 43 10.611 2.424 2.810 1.00 0.00 C ATOM 656 CG MET A 43 9.170 1.902 2.823 1.00 0.00 C ATOM 657 SD MET A 43 8.568 1.277 1.246 1.00 0.00 S ATOM 658 CE MET A 43 9.193 -0.407 1.403 1.00 0.00 C ATOM 0 H MET A 43 12.391 3.521 1.448 1.00 0.00 H new ATOM 0 HA MET A 43 9.774 4.178 1.872 1.00 0.00 H new ATOM 0 HB2 MET A 43 11.194 1.883 2.065 1.00 0.00 H new ATOM 0 HB3 MET A 43 11.080 2.241 3.777 1.00 0.00 H new ATOM 0 HG2 MET A 43 9.095 1.106 3.564 1.00 0.00 H new ATOM 0 HG3 MET A 43 8.512 2.706 3.152 1.00 0.00 H new ATOM 0 HE1 MET A 43 8.711 -1.045 0.662 1.00 0.00 H new ATOM 0 HE2 MET A 43 10.271 -0.412 1.240 1.00 0.00 H new ATOM 0 HE3 MET A 43 8.976 -0.784 2.402 1.00 0.00 H new ATOM 668 N ILE A 44 11.659 5.161 4.355 1.00 0.00 N ATOM 669 CA ILE A 44 11.708 6.046 5.513 1.00 0.00 C ATOM 670 C ILE A 44 11.141 7.405 5.081 1.00 0.00 C ATOM 671 O ILE A 44 10.128 7.847 5.613 1.00 0.00 O ATOM 672 CB ILE A 44 13.137 6.130 6.108 1.00 0.00 C ATOM 673 CG1 ILE A 44 13.725 4.718 6.353 1.00 0.00 C ATOM 674 CG2 ILE A 44 13.077 6.918 7.430 1.00 0.00 C ATOM 675 CD1 ILE A 44 15.156 4.702 6.905 1.00 0.00 C ATOM 0 H ILE A 44 12.581 4.922 3.991 1.00 0.00 H new ATOM 0 HA ILE A 44 11.098 5.654 6.327 1.00 0.00 H new ATOM 0 HB ILE A 44 13.789 6.639 5.398 1.00 0.00 H new ATOM 0 HG12 ILE A 44 13.077 4.186 7.049 1.00 0.00 H new ATOM 0 HG13 ILE A 44 13.707 4.165 5.414 1.00 0.00 H new ATOM 0 HG21 ILE A 44 14.077 6.985 7.860 1.00 0.00 H new ATOM 0 HG22 ILE A 44 12.697 7.921 7.239 1.00 0.00 H new ATOM 0 HG23 ILE A 44 12.415 6.406 8.129 1.00 0.00 H new ATOM 0 HD11 ILE A 44 15.481 3.671 7.044 1.00 0.00 H new ATOM 0 HD12 ILE A 44 15.823 5.201 6.202 1.00 0.00 H new ATOM 0 HD13 ILE A 44 15.183 5.223 7.862 1.00 0.00 H new ATOM 687 N LYS A 45 11.720 8.013 4.047 1.00 0.00 N ATOM 688 CA LYS A 45 11.305 9.262 3.401 1.00 0.00 C ATOM 689 C LYS A 45 9.907 9.260 2.757 1.00 0.00 C ATOM 690 O LYS A 45 9.540 10.243 2.108 1.00 0.00 O ATOM 691 CB LYS A 45 12.362 9.608 2.337 1.00 0.00 C ATOM 692 CG LYS A 45 13.559 10.393 2.867 1.00 0.00 C ATOM 693 CD LYS A 45 14.540 10.630 1.711 1.00 0.00 C ATOM 694 CE LYS A 45 15.654 11.595 2.113 1.00 0.00 C ATOM 695 NZ LYS A 45 16.437 12.016 0.937 1.00 0.00 N ATOM 0 H LYS A 45 12.551 7.619 3.605 1.00 0.00 H new ATOM 0 HA LYS A 45 11.232 10.007 4.194 1.00 0.00 H new ATOM 0 HB2 LYS A 45 12.721 8.683 1.885 1.00 0.00 H new ATOM 0 HB3 LYS A 45 11.886 10.186 1.545 1.00 0.00 H new ATOM 0 HG2 LYS A 45 13.232 11.344 3.286 1.00 0.00 H new ATOM 0 HG3 LYS A 45 14.047 9.842 3.670 1.00 0.00 H new ATOM 0 HD2 LYS A 45 14.974 9.680 1.400 1.00 0.00 H new ATOM 0 HD3 LYS A 45 14.002 11.031 0.852 1.00 0.00 H new ATOM 0 HE2 LYS A 45 15.224 12.470 2.600 1.00 0.00 H new ATOM 0 HE3 LYS A 45 16.311 11.116 2.839 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 17.187 12.671 1.236 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 16.865 11.181 0.488 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 15.812 12.493 0.256 1.00 0.00 H new ATOM 709 N ARG A 46 9.093 8.222 2.934 1.00 0.00 N ATOM 710 CA ARG A 46 7.781 8.096 2.301 1.00 0.00 C ATOM 711 C ARG A 46 6.793 7.442 3.250 1.00 0.00 C ATOM 712 O ARG A 46 5.628 7.803 3.192 1.00 0.00 O ATOM 713 CB ARG A 46 7.892 7.310 0.969 1.00 0.00 C ATOM 714 CG ARG A 46 7.384 8.062 -0.277 1.00 0.00 C ATOM 715 CD ARG A 46 5.854 8.001 -0.387 1.00 0.00 C ATOM 716 NE ARG A 46 5.338 8.572 -1.646 1.00 0.00 N ATOM 717 CZ ARG A 46 4.911 7.908 -2.731 1.00 0.00 C ATOM 718 NH1 ARG A 46 5.115 6.604 -2.854 1.00 0.00 N ATOM 719 NH2 ARG A 46 4.276 8.540 -3.712 1.00 0.00 N ATOM 0 H ARG A 46 9.330 7.430 3.532 1.00 0.00 H new ATOM 0 HA ARG A 46 7.408 9.093 2.068 1.00 0.00 H new ATOM 0 HB2 ARG A 46 8.936 7.039 0.811 1.00 0.00 H new ATOM 0 HB3 ARG A 46 7.333 6.380 1.066 1.00 0.00 H new ATOM 0 HG2 ARG A 46 7.705 9.103 -0.231 1.00 0.00 H new ATOM 0 HG3 ARG A 46 7.832 7.629 -1.172 1.00 0.00 H new ATOM 0 HD2 ARG A 46 5.532 6.963 -0.308 1.00 0.00 H new ATOM 0 HD3 ARG A 46 5.414 8.537 0.454 1.00 0.00 H new ATOM 0 HE ARG A 46 5.302 9.590 -1.697 1.00 0.00 H new ATOM 0 HH11 ARG A 46 5.602 6.092 -2.118 1.00 0.00 H new ATOM 0 HH12 ARG A 46 4.785 6.112 -3.684 1.00 0.00 H new ATOM 0 HH21 ARG A 46 4.107 9.544 -3.647 1.00 0.00 H new ATOM 0 HH22 ARG A 46 3.957 8.021 -4.531 1.00 0.00 H new ATOM 733 N SER A 47 7.205 6.532 4.134 1.00 0.00 N ATOM 734 CA SER A 47 6.310 5.846 5.059 1.00 0.00 C ATOM 735 C SER A 47 6.794 5.899 6.519 1.00 0.00 C ATOM 736 O SER A 47 6.073 5.470 7.424 1.00 0.00 O ATOM 737 CB SER A 47 6.131 4.401 4.582 1.00 0.00 C ATOM 738 OG SER A 47 7.183 3.562 4.990 1.00 0.00 O ATOM 0 H SER A 47 8.181 6.250 4.227 1.00 0.00 H new ATOM 0 HA SER A 47 5.351 6.364 5.055 1.00 0.00 H new ATOM 0 HB2 SER A 47 5.189 4.010 4.967 1.00 0.00 H new ATOM 0 HB3 SER A 47 6.061 4.387 3.494 1.00 0.00 H new ATOM 0 HG SER A 47 8.040 3.998 4.803 1.00 0.00 H new ATOM 744 N GLY A 48 8.028 6.350 6.761 1.00 0.00 N ATOM 745 CA GLY A 48 8.707 6.314 8.047 1.00 0.00 C ATOM 746 C GLY A 48 9.379 4.974 8.369 1.00 0.00 C ATOM 747 O GLY A 48 10.220 4.926 9.269 1.00 0.00 O ATOM 0 H GLY A 48 8.602 6.768 6.029 1.00 0.00 H new ATOM 0 HA2 GLY A 48 9.462 7.100 8.068 1.00 0.00 H new ATOM 0 HA3 GLY A 48 7.986 6.543 8.832 1.00 0.00 H new ATOM 751 N ARG A 49 9.055 3.896 7.646 1.00 0.00 N ATOM 752 CA ARG A 49 9.428 2.513 7.942 1.00 0.00 C ATOM 753 C ARG A 49 9.981 1.865 6.675 1.00 0.00 C ATOM 754 O ARG A 49 9.647 2.349 5.610 1.00 0.00 O ATOM 755 CB ARG A 49 8.160 1.752 8.351 1.00 0.00 C ATOM 756 CG ARG A 49 7.313 2.414 9.449 1.00 0.00 C ATOM 757 CD ARG A 49 6.074 1.571 9.773 1.00 0.00 C ATOM 758 NE ARG A 49 6.369 0.465 10.697 1.00 0.00 N ATOM 759 CZ ARG A 49 5.847 -0.766 10.664 1.00 0.00 C ATOM 760 NH1 ARG A 49 4.954 -1.118 9.745 1.00 0.00 N ATOM 761 NH2 ARG A 49 6.250 -1.685 11.524 1.00 0.00 N ATOM 0 H ARG A 49 8.497 3.971 6.796 1.00 0.00 H new ATOM 0 HA ARG A 49 10.174 2.487 8.736 1.00 0.00 H new ATOM 0 HB2 ARG A 49 7.537 1.619 7.467 1.00 0.00 H new ATOM 0 HB3 ARG A 49 8.449 0.757 8.690 1.00 0.00 H new ATOM 0 HG2 ARG A 49 7.915 2.543 10.349 1.00 0.00 H new ATOM 0 HG3 ARG A 49 7.006 3.409 9.126 1.00 0.00 H new ATOM 0 HD2 ARG A 49 5.308 2.211 10.211 1.00 0.00 H new ATOM 0 HD3 ARG A 49 5.662 1.167 8.848 1.00 0.00 H new ATOM 0 HE ARG A 49 7.041 0.657 11.440 1.00 0.00 H new ATOM 0 HH11 ARG A 49 4.651 -0.443 9.043 1.00 0.00 H new ATOM 0 HH12 ARG A 49 4.571 -2.063 9.742 1.00 0.00 H new ATOM 0 HH21 ARG A 49 6.962 -1.457 12.217 1.00 0.00 H new ATOM 0 HH22 ARG A 49 5.849 -2.622 11.494 1.00 0.00 H new ATOM 775 N THR A 50 10.705 0.748 6.731 1.00 0.00 N ATOM 776 CA THR A 50 11.130 -0.068 5.591 1.00 0.00 C ATOM 777 C THR A 50 10.329 -1.375 5.467 1.00 0.00 C ATOM 778 O THR A 50 10.622 -2.196 4.592 1.00 0.00 O ATOM 779 CB THR A 50 12.647 -0.311 5.680 1.00 0.00 C ATOM 780 OG1 THR A 50 12.975 -0.880 6.930 1.00 0.00 O ATOM 781 CG2 THR A 50 13.451 0.983 5.510 1.00 0.00 C ATOM 0 H THR A 50 11.029 0.366 7.620 1.00 0.00 H new ATOM 0 HA THR A 50 10.918 0.480 4.673 1.00 0.00 H new ATOM 0 HB THR A 50 12.907 -0.990 4.868 1.00 0.00 H new ATOM 0 HG1 THR A 50 13.942 -1.032 6.976 1.00 0.00 H new ATOM 0 HG21 THR A 50 14.516 0.762 5.580 1.00 0.00 H new ATOM 0 HG22 THR A 50 13.235 1.420 4.535 1.00 0.00 H new ATOM 0 HG23 THR A 50 13.175 1.689 6.293 1.00 0.00 H new ATOM 789 N THR A 51 9.316 -1.580 6.310 1.00 0.00 N ATOM 790 CA THR A 51 8.373 -2.693 6.228 1.00 0.00 C ATOM 791 C THR A 51 7.406 -2.468 5.065 1.00 0.00 C ATOM 792 O THR A 51 7.412 -1.416 4.421 1.00 0.00 O ATOM 793 CB THR A 51 7.604 -2.775 7.561 1.00 0.00 C ATOM 794 OG1 THR A 51 7.190 -1.482 7.956 1.00 0.00 O ATOM 795 CG2 THR A 51 8.470 -3.368 8.671 1.00 0.00 C ATOM 0 H THR A 51 9.124 -0.955 7.093 1.00 0.00 H new ATOM 0 HA THR A 51 8.904 -3.628 6.053 1.00 0.00 H new ATOM 0 HB THR A 51 6.741 -3.422 7.404 1.00 0.00 H new ATOM 0 HG1 THR A 51 6.297 -1.300 7.596 1.00 0.00 H new ATOM 0 HG21 THR A 51 7.896 -3.411 9.597 1.00 0.00 H new ATOM 0 HG22 THR A 51 8.782 -4.374 8.391 1.00 0.00 H new ATOM 0 HG23 THR A 51 9.351 -2.743 8.819 1.00 0.00 H new ATOM 803 N VAL A 52 6.552 -3.456 4.814 1.00 0.00 N ATOM 804 CA VAL A 52 5.500 -3.416 3.803 1.00 0.00 C ATOM 805 C VAL A 52 4.248 -4.161 4.298 1.00 0.00 C ATOM 806 O VAL A 52 4.366 -4.977 5.216 1.00 0.00 O ATOM 807 CB VAL A 52 6.012 -4.043 2.491 1.00 0.00 C ATOM 808 CG1 VAL A 52 6.772 -3.027 1.640 1.00 0.00 C ATOM 809 CG2 VAL A 52 6.848 -5.301 2.728 1.00 0.00 C ATOM 0 H VAL A 52 6.574 -4.337 5.327 1.00 0.00 H new ATOM 0 HA VAL A 52 5.229 -2.376 3.618 1.00 0.00 H new ATOM 0 HB VAL A 52 5.128 -4.352 1.933 1.00 0.00 H new ATOM 0 HG11 VAL A 52 7.117 -3.506 0.724 1.00 0.00 H new ATOM 0 HG12 VAL A 52 6.112 -2.196 1.389 1.00 0.00 H new ATOM 0 HG13 VAL A 52 7.630 -2.653 2.199 1.00 0.00 H new ATOM 0 HG21 VAL A 52 7.183 -5.701 1.771 1.00 0.00 H new ATOM 0 HG22 VAL A 52 7.715 -5.052 3.340 1.00 0.00 H new ATOM 0 HG23 VAL A 52 6.243 -6.048 3.242 1.00 0.00 H new ATOM 819 N PRO A 53 3.077 -3.973 3.659 1.00 0.00 N ATOM 820 CA PRO A 53 2.832 -2.996 2.610 1.00 0.00 C ATOM 821 C PRO A 53 2.882 -1.583 3.175 1.00 0.00 C ATOM 822 O PRO A 53 2.773 -1.375 4.382 1.00 0.00 O ATOM 823 CB PRO A 53 1.455 -3.330 2.030 1.00 0.00 C ATOM 824 CG PRO A 53 0.737 -3.942 3.224 1.00 0.00 C ATOM 825 CD PRO A 53 1.852 -4.676 3.970 1.00 0.00 C ATOM 0 HA PRO A 53 3.594 -3.038 1.831 1.00 0.00 H new ATOM 0 HB2 PRO A 53 0.944 -2.441 1.660 1.00 0.00 H new ATOM 0 HB3 PRO A 53 1.524 -4.028 1.196 1.00 0.00 H new ATOM 0 HG2 PRO A 53 0.271 -3.179 3.847 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -0.054 -4.624 2.911 1.00 0.00 H new ATOM 0 HD2 PRO A 53 1.666 -4.678 5.044 1.00 0.00 H new ATOM 0 HD3 PRO A 53 1.911 -5.718 3.655 1.00 0.00 H new ATOM 833 N GLN A 54 3.042 -0.616 2.284 1.00 0.00 N ATOM 834 CA GLN A 54 2.883 0.789 2.593 1.00 0.00 C ATOM 835 C GLN A 54 1.906 1.265 1.545 1.00 0.00 C ATOM 836 O GLN A 54 2.296 1.397 0.385 1.00 0.00 O ATOM 837 CB GLN A 54 4.217 1.556 2.551 1.00 0.00 C ATOM 838 CG GLN A 54 5.313 1.011 3.470 1.00 0.00 C ATOM 839 CD GLN A 54 4.949 1.046 4.951 1.00 0.00 C ATOM 840 OE1 GLN A 54 3.976 1.673 5.377 1.00 0.00 O ATOM 841 NE2 GLN A 54 5.720 0.356 5.766 1.00 0.00 N ATOM 0 H GLN A 54 3.290 -0.793 1.311 1.00 0.00 H new ATOM 0 HA GLN A 54 2.525 0.960 3.608 1.00 0.00 H new ATOM 0 HB2 GLN A 54 4.589 1.550 1.526 1.00 0.00 H new ATOM 0 HB3 GLN A 54 4.028 2.596 2.816 1.00 0.00 H new ATOM 0 HG2 GLN A 54 5.536 -0.017 3.184 1.00 0.00 H new ATOM 0 HG3 GLN A 54 6.224 1.589 3.316 1.00 0.00 H new ATOM 0 HE21 GLN A 54 6.521 -0.157 5.398 1.00 0.00 H new ATOM 0 HE22 GLN A 54 5.516 0.335 6.765 1.00 0.00 H new ATOM 850 N ILE A 55 0.632 1.381 1.913 1.00 0.00 N ATOM 851 CA ILE A 55 -0.372 1.902 1.004 1.00 0.00 C ATOM 852 C ILE A 55 -0.399 3.414 1.186 1.00 0.00 C ATOM 853 O ILE A 55 -0.344 3.931 2.308 1.00 0.00 O ATOM 854 CB ILE A 55 -1.774 1.294 1.205 1.00 0.00 C ATOM 855 CG1 ILE A 55 -1.811 -0.216 1.520 1.00 0.00 C ATOM 856 CG2 ILE A 55 -2.588 1.486 -0.089 1.00 0.00 C ATOM 857 CD1 ILE A 55 -1.507 -0.620 2.960 1.00 0.00 C ATOM 0 H ILE A 55 0.277 1.121 2.833 1.00 0.00 H new ATOM 0 HA ILE A 55 -0.099 1.624 -0.014 1.00 0.00 H new ATOM 0 HB ILE A 55 -2.179 1.815 2.073 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -2.800 -0.594 1.261 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -1.097 -0.718 0.867 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -3.583 1.060 0.040 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -2.675 2.550 -0.310 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -2.083 0.984 -0.914 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -1.564 -1.704 3.053 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -0.505 -0.285 3.228 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -2.234 -0.159 3.628 1.00 0.00 H new ATOM 869 N PHE A 56 -0.529 4.094 0.063 1.00 0.00 N ATOM 870 CA PHE A 56 -0.657 5.512 -0.125 1.00 0.00 C ATOM 871 C PHE A 56 -1.895 5.682 -0.972 1.00 0.00 C ATOM 872 O PHE A 56 -1.997 4.997 -1.987 1.00 0.00 O ATOM 873 CB PHE A 56 0.550 6.000 -0.915 1.00 0.00 C ATOM 874 CG PHE A 56 1.815 5.945 -0.112 1.00 0.00 C ATOM 875 CD1 PHE A 56 2.550 4.748 -0.028 1.00 0.00 C ATOM 876 CD2 PHE A 56 2.210 7.074 0.615 1.00 0.00 C ATOM 877 CE1 PHE A 56 3.651 4.667 0.837 1.00 0.00 C ATOM 878 CE2 PHE A 56 3.319 6.991 1.459 1.00 0.00 C ATOM 879 CZ PHE A 56 4.017 5.780 1.606 1.00 0.00 C ATOM 0 H PHE A 56 -0.549 3.605 -0.832 1.00 0.00 H new ATOM 0 HA PHE A 56 -0.718 6.061 0.815 1.00 0.00 H new ATOM 0 HB2 PHE A 56 0.665 5.391 -1.812 1.00 0.00 H new ATOM 0 HB3 PHE A 56 0.376 7.024 -1.245 1.00 0.00 H new ATOM 0 HD1 PHE A 56 2.267 3.895 -0.627 1.00 0.00 H new ATOM 0 HD2 PHE A 56 1.662 8.000 0.524 1.00 0.00 H new ATOM 0 HE1 PHE A 56 4.215 3.749 0.910 1.00 0.00 H new ATOM 0 HE2 PHE A 56 3.643 7.865 2.004 1.00 0.00 H new ATOM 0 HZ PHE A 56 4.833 5.707 2.310 1.00 0.00 H new ATOM 889 N ILE A 57 -2.827 6.538 -0.574 1.00 0.00 N ATOM 890 CA ILE A 57 -4.079 6.738 -1.286 1.00 0.00 C ATOM 891 C ILE A 57 -4.256 8.247 -1.351 1.00 0.00 C ATOM 892 O ILE A 57 -4.189 8.890 -0.311 1.00 0.00 O ATOM 893 CB ILE A 57 -5.197 5.989 -0.533 1.00 0.00 C ATOM 894 CG1 ILE A 57 -4.831 4.492 -0.383 1.00 0.00 C ATOM 895 CG2 ILE A 57 -6.542 6.192 -1.239 1.00 0.00 C ATOM 896 CD1 ILE A 57 -5.953 3.601 0.130 1.00 0.00 C ATOM 0 H ILE A 57 -2.733 7.118 0.260 1.00 0.00 H new ATOM 0 HA ILE A 57 -4.100 6.338 -2.300 1.00 0.00 H new ATOM 0 HB ILE A 57 -5.296 6.400 0.472 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -4.503 4.115 -1.352 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -3.982 4.408 0.296 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -7.322 5.658 -0.697 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -6.782 7.255 -1.266 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -6.480 5.808 -2.257 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -5.598 2.573 0.200 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -6.268 3.944 1.115 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -6.797 3.647 -0.558 1.00 0.00 H new ATOM 908 N ASP A 58 -4.412 8.840 -2.539 1.00 0.00 N ATOM 909 CA ASP A 58 -4.346 10.281 -2.727 1.00 0.00 C ATOM 910 C ASP A 58 -3.038 10.865 -2.158 1.00 0.00 C ATOM 911 O ASP A 58 -2.980 12.026 -1.755 1.00 0.00 O ATOM 912 CB ASP A 58 -5.654 10.939 -2.242 1.00 0.00 C ATOM 913 CG ASP A 58 -6.581 11.433 -3.354 1.00 0.00 C ATOM 914 OD1 ASP A 58 -6.174 11.472 -4.540 1.00 0.00 O ATOM 915 OD2 ASP A 58 -7.725 11.826 -3.038 1.00 0.00 O ATOM 0 H ASP A 58 -4.589 8.323 -3.400 1.00 0.00 H new ATOM 0 HA ASP A 58 -4.288 10.523 -3.788 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -6.198 10.221 -1.628 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -5.402 11.782 -1.599 1.00 0.00 H new ATOM 920 N ALA A 59 -1.964 10.057 -2.176 1.00 0.00 N ATOM 921 CA ALA A 59 -0.639 10.248 -1.582 1.00 0.00 C ATOM 922 C ALA A 59 -0.611 10.200 -0.045 1.00 0.00 C ATOM 923 O ALA A 59 0.462 10.275 0.550 1.00 0.00 O ATOM 924 CB ALA A 59 0.019 11.509 -2.136 1.00 0.00 C ATOM 0 H ALA A 59 -2.013 9.160 -2.660 1.00 0.00 H new ATOM 0 HA ALA A 59 -0.047 9.384 -1.882 1.00 0.00 H new ATOM 0 HB1 ALA A 59 1.003 11.635 -1.684 1.00 0.00 H new ATOM 0 HB2 ALA A 59 0.126 11.419 -3.217 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -0.601 12.375 -1.904 1.00 0.00 H new ATOM 930 N GLN A 60 -1.758 10.018 0.600 1.00 0.00 N ATOM 931 CA GLN A 60 -1.934 9.953 2.040 1.00 0.00 C ATOM 932 C GLN A 60 -1.398 8.603 2.523 1.00 0.00 C ATOM 933 O GLN A 60 -1.918 7.559 2.123 1.00 0.00 O ATOM 934 CB GLN A 60 -3.439 10.122 2.302 1.00 0.00 C ATOM 935 CG GLN A 60 -3.837 10.777 3.625 1.00 0.00 C ATOM 936 CD GLN A 60 -5.245 11.355 3.471 1.00 0.00 C ATOM 937 OE1 GLN A 60 -6.213 10.843 4.027 1.00 0.00 O ATOM 938 NE2 GLN A 60 -5.413 12.394 2.667 1.00 0.00 N ATOM 0 H GLN A 60 -2.639 9.906 0.099 1.00 0.00 H new ATOM 0 HA GLN A 60 -1.392 10.729 2.580 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -3.861 10.713 1.489 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -3.905 9.138 2.256 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -3.813 10.046 4.433 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -3.130 11.564 3.887 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -4.608 12.818 2.206 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -6.348 12.770 2.509 1.00 0.00 H new ATOM 947 N HIS A 61 -0.324 8.592 3.318 1.00 0.00 N ATOM 948 CA HIS A 61 0.249 7.353 3.840 1.00 0.00 C ATOM 949 C HIS A 61 -0.692 6.735 4.871 1.00 0.00 C ATOM 950 O HIS A 61 -0.767 7.196 6.012 1.00 0.00 O ATOM 951 CB HIS A 61 1.632 7.563 4.468 1.00 0.00 C ATOM 952 CG HIS A 61 2.212 6.267 4.999 1.00 0.00 C ATOM 953 ND1 HIS A 61 2.911 6.139 6.182 1.00 0.00 N ATOM 954 CD2 HIS A 61 2.068 5.014 4.456 1.00 0.00 C ATOM 955 CE1 HIS A 61 3.175 4.835 6.360 1.00 0.00 C ATOM 956 NE2 HIS A 61 2.676 4.129 5.330 1.00 0.00 N ATOM 0 H HIS A 61 0.167 9.435 3.614 1.00 0.00 H new ATOM 0 HA HIS A 61 0.373 6.678 2.993 1.00 0.00 H new ATOM 0 HB2 HIS A 61 2.308 7.986 3.725 1.00 0.00 H new ATOM 0 HB3 HIS A 61 1.557 8.287 5.279 1.00 0.00 H new ATOM 0 HD2 HIS A 61 1.576 4.767 3.527 1.00 0.00 H new ATOM 0 HE1 HIS A 61 3.707 4.417 7.202 1.00 0.00 H new ATOM 0 HE2 HIS A 61 2.735 3.117 5.213 1.00 0.00 H new ATOM 965 N ILE A 62 -1.356 5.651 4.489 1.00 0.00 N ATOM 966 CA ILE A 62 -2.315 4.957 5.325 1.00 0.00 C ATOM 967 C ILE A 62 -1.561 4.179 6.412 1.00 0.00 C ATOM 968 O ILE A 62 -1.699 4.463 7.604 1.00 0.00 O ATOM 969 CB ILE A 62 -3.192 4.075 4.408 1.00 0.00 C ATOM 970 CG1 ILE A 62 -3.792 4.853 3.212 1.00 0.00 C ATOM 971 CG2 ILE A 62 -4.311 3.389 5.197 1.00 0.00 C ATOM 972 CD1 ILE A 62 -4.539 6.141 3.586 1.00 0.00 C ATOM 0 H ILE A 62 -1.237 5.225 3.570 1.00 0.00 H new ATOM 0 HA ILE A 62 -2.982 5.639 5.852 1.00 0.00 H new ATOM 0 HB ILE A 62 -2.524 3.316 4.001 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -2.987 5.105 2.521 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -4.477 4.195 2.677 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -4.909 2.776 4.522 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -3.876 2.757 5.971 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -4.946 4.145 5.660 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -4.923 6.615 2.682 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -5.369 5.900 4.250 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -3.856 6.824 4.092 1.00 0.00 H new ATOM 984 N GLY A 63 -0.747 3.200 6.015 1.00 0.00 N ATOM 985 CA GLY A 63 -0.135 2.241 6.922 1.00 0.00 C ATOM 986 C GLY A 63 0.019 0.915 6.192 1.00 0.00 C ATOM 987 O GLY A 63 0.342 0.924 4.999 1.00 0.00 O ATOM 0 H GLY A 63 -0.493 3.053 5.038 1.00 0.00 H new ATOM 0 HA2 GLY A 63 0.837 2.604 7.257 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -0.752 2.114 7.812 1.00 0.00 H new ATOM 991 N GLY A 64 -0.198 -0.192 6.905 1.00 0.00 N ATOM 992 CA GLY A 64 -0.126 -1.557 6.393 1.00 0.00 C ATOM 993 C GLY A 64 -1.502 -2.062 5.956 1.00 0.00 C ATOM 994 O GLY A 64 -2.469 -1.300 5.941 1.00 0.00 O ATOM 0 H GLY A 64 -0.438 -0.158 7.896 1.00 0.00 H new ATOM 0 HA2 GLY A 64 0.562 -1.595 5.549 1.00 0.00 H new ATOM 0 HA3 GLY A 64 0.277 -2.215 7.163 1.00 0.00 H new ATOM 998 N TYR A 65 -1.615 -3.350 5.591 1.00 0.00 N ATOM 999 CA TYR A 65 -2.901 -3.927 5.179 1.00 0.00 C ATOM 1000 C TYR A 65 -3.936 -3.771 6.282 1.00 0.00 C ATOM 1001 O TYR A 65 -5.090 -3.495 5.992 1.00 0.00 O ATOM 1002 CB TYR A 65 -2.794 -5.412 4.780 1.00 0.00 C ATOM 1003 CG TYR A 65 -4.121 -6.155 4.756 1.00 0.00 C ATOM 1004 CD1 TYR A 65 -5.151 -5.755 3.881 1.00 0.00 C ATOM 1005 CD2 TYR A 65 -4.353 -7.204 5.669 1.00 0.00 C ATOM 1006 CE1 TYR A 65 -6.394 -6.414 3.889 1.00 0.00 C ATOM 1007 CE2 TYR A 65 -5.596 -7.857 5.691 1.00 0.00 C ATOM 1008 CZ TYR A 65 -6.624 -7.465 4.805 1.00 0.00 C ATOM 1009 OH TYR A 65 -7.814 -8.117 4.828 1.00 0.00 O ATOM 0 H TYR A 65 -0.835 -4.007 5.573 1.00 0.00 H new ATOM 0 HA TYR A 65 -3.214 -3.373 4.294 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -2.337 -5.478 3.793 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -2.123 -5.915 5.476 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -4.985 -4.935 3.198 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -3.573 -7.506 6.353 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -7.169 -6.118 3.198 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -5.767 -8.663 6.389 1.00 0.00 H new ATOM 0 HH TYR A 65 -8.475 -7.574 5.305 1.00 0.00 H new ATOM 1019 N ASP A 66 -3.524 -3.940 7.531 1.00 0.00 N ATOM 1020 CA ASP A 66 -4.406 -3.852 8.685 1.00 0.00 C ATOM 1021 C ASP A 66 -5.037 -2.458 8.766 1.00 0.00 C ATOM 1022 O ASP A 66 -6.241 -2.332 8.971 1.00 0.00 O ATOM 1023 CB ASP A 66 -3.565 -4.183 9.914 1.00 0.00 C ATOM 1024 CG ASP A 66 -4.264 -3.817 11.215 1.00 0.00 C ATOM 1025 OD1 ASP A 66 -5.010 -4.675 11.743 1.00 0.00 O ATOM 1026 OD2 ASP A 66 -4.000 -2.719 11.747 1.00 0.00 O ATOM 0 H ASP A 66 -2.555 -4.145 7.774 1.00 0.00 H new ATOM 0 HA ASP A 66 -5.235 -4.555 8.612 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -3.335 -5.248 9.916 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -2.615 -3.652 9.854 1.00 0.00 H new ATOM 1031 N ASP A 67 -4.231 -1.425 8.509 1.00 0.00 N ATOM 1032 CA ASP A 67 -4.652 -0.023 8.523 1.00 0.00 C ATOM 1033 C ASP A 67 -5.620 0.245 7.371 1.00 0.00 C ATOM 1034 O ASP A 67 -6.687 0.831 7.544 1.00 0.00 O ATOM 1035 CB ASP A 67 -3.438 0.911 8.369 1.00 0.00 C ATOM 1036 CG ASP A 67 -2.452 0.855 9.529 1.00 0.00 C ATOM 1037 OD1 ASP A 67 -1.533 0.000 9.497 1.00 0.00 O ATOM 1038 OD2 ASP A 67 -2.532 1.719 10.433 1.00 0.00 O ATOM 0 H ASP A 67 -3.244 -1.544 8.280 1.00 0.00 H new ATOM 0 HA ASP A 67 -5.142 0.171 9.477 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -2.913 0.656 7.449 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -3.794 1.935 8.259 1.00 0.00 H new ATOM 1043 N LEU A 68 -5.239 -0.197 6.173 1.00 0.00 N ATOM 1044 CA LEU A 68 -6.039 -0.103 4.956 1.00 0.00 C ATOM 1045 C LEU A 68 -7.394 -0.754 5.165 1.00 0.00 C ATOM 1046 O LEU A 68 -8.429 -0.190 4.823 1.00 0.00 O ATOM 1047 CB LEU A 68 -5.278 -0.820 3.831 1.00 0.00 C ATOM 1048 CG LEU A 68 -5.727 -0.556 2.383 1.00 0.00 C ATOM 1049 CD1 LEU A 68 -5.342 -1.771 1.539 1.00 0.00 C ATOM 1050 CD2 LEU A 68 -7.194 -0.257 2.109 1.00 0.00 C ATOM 0 H LEU A 68 -4.335 -0.645 6.020 1.00 0.00 H new ATOM 0 HA LEU A 68 -6.203 0.943 4.696 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -4.226 -0.547 3.911 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -5.344 -1.893 4.012 1.00 0.00 H new ATOM 0 HG LEU A 68 -5.219 0.375 2.131 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -5.650 -1.609 0.506 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -4.262 -1.913 1.578 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -5.839 -2.658 1.931 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -7.339 -0.096 1.041 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -7.804 -1.099 2.435 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -7.491 0.639 2.655 1.00 0.00 H new ATOM 1062 N TYR A 69 -7.398 -1.972 5.681 1.00 0.00 N ATOM 1063 CA TYR A 69 -8.587 -2.776 5.723 1.00 0.00 C ATOM 1064 C TYR A 69 -9.588 -2.147 6.701 1.00 0.00 C ATOM 1065 O TYR A 69 -10.794 -2.272 6.485 1.00 0.00 O ATOM 1066 CB TYR A 69 -8.154 -4.183 6.126 1.00 0.00 C ATOM 1067 CG TYR A 69 -9.207 -5.260 6.088 1.00 0.00 C ATOM 1068 CD1 TYR A 69 -9.948 -5.451 4.909 1.00 0.00 C ATOM 1069 CD2 TYR A 69 -9.297 -6.195 7.131 1.00 0.00 C ATOM 1070 CE1 TYR A 69 -10.768 -6.580 4.756 1.00 0.00 C ATOM 1071 CE2 TYR A 69 -10.101 -7.334 6.980 1.00 0.00 C ATOM 1072 CZ TYR A 69 -10.859 -7.520 5.805 1.00 0.00 C ATOM 1073 OH TYR A 69 -11.609 -8.643 5.660 1.00 0.00 O ATOM 0 H TYR A 69 -6.574 -2.422 6.079 1.00 0.00 H new ATOM 0 HA TYR A 69 -9.094 -2.829 4.760 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -7.336 -4.486 5.472 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -7.753 -4.137 7.138 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -9.886 -4.723 4.114 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -8.748 -6.038 8.048 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -11.325 -6.728 3.843 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -10.140 -8.072 7.767 1.00 0.00 H new ATOM 0 HH TYR A 69 -11.558 -9.179 6.479 1.00 0.00 H new ATOM 1083 N ALA A 70 -9.104 -1.415 7.715 1.00 0.00 N ATOM 1084 CA ALA A 70 -9.919 -0.578 8.580 1.00 0.00 C ATOM 1085 C ALA A 70 -10.429 0.667 7.846 1.00 0.00 C ATOM 1086 O ALA A 70 -11.588 1.041 8.034 1.00 0.00 O ATOM 1087 CB ALA A 70 -9.113 -0.165 9.810 1.00 0.00 C ATOM 0 H ALA A 70 -8.113 -1.394 7.954 1.00 0.00 H new ATOM 0 HA ALA A 70 -10.787 -1.160 8.889 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -9.729 0.462 10.455 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -8.803 -1.055 10.358 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -8.231 0.393 9.496 1.00 0.00 H new ATOM 1093 N LEU A 71 -9.612 1.345 7.025 1.00 0.00 N ATOM 1094 CA LEU A 71 -10.087 2.449 6.191 1.00 0.00 C ATOM 1095 C LEU A 71 -11.242 1.972 5.299 1.00 0.00 C ATOM 1096 O LEU A 71 -12.254 2.657 5.142 1.00 0.00 O ATOM 1097 CB LEU A 71 -8.905 3.027 5.401 1.00 0.00 C ATOM 1098 CG LEU A 71 -9.290 4.145 4.417 1.00 0.00 C ATOM 1099 CD1 LEU A 71 -9.906 5.367 5.112 1.00 0.00 C ATOM 1100 CD2 LEU A 71 -8.051 4.580 3.633 1.00 0.00 C ATOM 0 H LEU A 71 -8.617 1.144 6.924 1.00 0.00 H new ATOM 0 HA LEU A 71 -10.488 3.255 6.806 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -8.168 3.415 6.104 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -8.424 2.221 4.847 1.00 0.00 H new ATOM 0 HG LEU A 71 -10.049 3.738 3.749 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -10.157 6.122 4.366 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -10.810 5.067 5.643 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -9.190 5.782 5.821 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -8.322 5.372 2.935 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -7.294 4.949 4.325 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -7.653 3.729 3.080 1.00 0.00 H new ATOM 1112 N ASP A 72 -11.117 0.769 4.742 1.00 0.00 N ATOM 1113 CA ASP A 72 -12.156 0.115 3.966 1.00 0.00 C ATOM 1114 C ASP A 72 -13.351 -0.301 4.811 1.00 0.00 C ATOM 1115 O ASP A 72 -14.485 -0.184 4.356 1.00 0.00 O ATOM 1116 CB ASP A 72 -11.587 -1.092 3.227 1.00 0.00 C ATOM 1117 CG ASP A 72 -12.692 -1.859 2.505 1.00 0.00 C ATOM 1118 OD1 ASP A 72 -13.298 -1.293 1.569 1.00 0.00 O ATOM 1119 OD2 ASP A 72 -12.926 -3.029 2.886 1.00 0.00 O ATOM 0 H ASP A 72 -10.266 0.212 4.823 1.00 0.00 H new ATOM 0 HA ASP A 72 -12.517 0.848 3.244 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -10.837 -0.763 2.507 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -11.083 -1.751 3.933 1.00 0.00 H new ATOM 1124 N ALA A 73 -13.131 -0.720 6.054 1.00 0.00 N ATOM 1125 CA ALA A 73 -14.211 -1.079 6.968 1.00 0.00 C ATOM 1126 C ALA A 73 -15.041 0.153 7.340 1.00 0.00 C ATOM 1127 O ALA A 73 -16.238 0.033 7.580 1.00 0.00 O ATOM 1128 CB ALA A 73 -13.650 -1.748 8.226 1.00 0.00 C ATOM 0 H ALA A 73 -12.199 -0.820 6.456 1.00 0.00 H new ATOM 0 HA ALA A 73 -14.864 -1.789 6.461 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -14.470 -2.009 8.896 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -13.108 -2.652 7.947 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -12.972 -1.061 8.732 1.00 0.00 H new ATOM 1134 N ARG A 74 -14.437 1.344 7.345 1.00 0.00 N ATOM 1135 CA ARG A 74 -15.136 2.619 7.502 1.00 0.00 C ATOM 1136 C ARG A 74 -15.880 2.991 6.220 1.00 0.00 C ATOM 1137 O ARG A 74 -16.640 3.955 6.208 1.00 0.00 O ATOM 1138 CB ARG A 74 -14.093 3.675 7.921 1.00 0.00 C ATOM 1139 CG ARG A 74 -14.612 5.114 8.048 1.00 0.00 C ATOM 1140 CD ARG A 74 -13.561 6.028 8.695 1.00 0.00 C ATOM 1141 NE ARG A 74 -14.195 7.002 9.590 1.00 0.00 N ATOM 1142 CZ ARG A 74 -14.328 8.324 9.443 1.00 0.00 C ATOM 1143 NH1 ARG A 74 -13.852 8.968 8.382 1.00 0.00 N ATOM 1144 NH2 ARG A 74 -14.961 9.001 10.391 1.00 0.00 N ATOM 0 H ARG A 74 -13.428 1.450 7.238 1.00 0.00 H new ATOM 0 HA ARG A 74 -15.901 2.554 8.275 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -13.667 3.377 8.879 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -13.281 3.665 7.194 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -14.874 5.497 7.062 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -15.523 5.123 8.646 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -12.845 5.426 9.254 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -13.001 6.551 7.920 1.00 0.00 H new ATOM 0 HE ARG A 74 -14.591 6.615 10.447 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -13.367 8.452 7.647 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -13.971 9.978 8.302 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -15.332 8.512 11.206 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -15.077 10.011 10.305 1.00 0.00 H new ATOM 1158 N GLY A 75 -15.632 2.282 5.122 1.00 0.00 N ATOM 1159 CA GLY A 75 -16.088 2.662 3.795 1.00 0.00 C ATOM 1160 C GLY A 75 -15.318 3.872 3.265 1.00 0.00 C ATOM 1161 O GLY A 75 -15.609 4.329 2.163 1.00 0.00 O ATOM 0 H GLY A 75 -15.099 1.413 5.134 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -15.964 1.822 3.112 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -17.153 2.892 3.827 1.00 0.00 H new ATOM 1165 N GLY A 76 -14.316 4.370 4.003 1.00 0.00 N ATOM 1166 CA GLY A 76 -13.558 5.571 3.678 1.00 0.00 C ATOM 1167 C GLY A 76 -12.451 5.302 2.664 1.00 0.00 C ATOM 1168 O GLY A 76 -11.828 6.241 2.174 1.00 0.00 O ATOM 0 H GLY A 76 -14.006 3.929 4.869 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -14.234 6.328 3.281 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -13.121 5.980 4.589 1.00 0.00 H new ATOM 1172 N LEU A 77 -12.233 4.033 2.308 1.00 0.00 N ATOM 1173 CA LEU A 77 -11.375 3.657 1.195 1.00 0.00 C ATOM 1174 C LEU A 77 -12.096 3.980 -0.103 1.00 0.00 C ATOM 1175 O LEU A 77 -11.502 4.503 -1.040 1.00 0.00 O ATOM 1176 CB LEU A 77 -11.116 2.137 1.238 1.00 0.00 C ATOM 1177 CG LEU A 77 -10.251 1.644 0.063 1.00 0.00 C ATOM 1178 CD1 LEU A 77 -8.849 2.229 0.212 1.00 0.00 C ATOM 1179 CD2 LEU A 77 -10.178 0.118 -0.008 1.00 0.00 C ATOM 0 H LEU A 77 -12.652 3.238 2.790 1.00 0.00 H new ATOM 0 HA LEU A 77 -10.431 4.199 1.259 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -10.623 1.884 2.177 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -12.070 1.610 1.226 1.00 0.00 H new ATOM 0 HG LEU A 77 -10.712 1.980 -0.866 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -8.223 1.889 -0.613 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -8.906 3.317 0.200 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -8.415 1.899 1.156 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -9.557 -0.178 -0.853 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -9.744 -0.269 0.914 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -11.181 -0.289 -0.135 1.00 0.00 H new ATOM 1191 N ASP A 78 -13.380 3.629 -0.148 1.00 0.00 N ATOM 1192 CA ASP A 78 -14.175 3.641 -1.357 1.00 0.00 C ATOM 1193 C ASP A 78 -14.208 5.006 -2.053 1.00 0.00 C ATOM 1194 O ASP A 78 -13.919 5.024 -3.246 1.00 0.00 O ATOM 1195 CB ASP A 78 -15.570 3.066 -1.090 1.00 0.00 C ATOM 1196 CG ASP A 78 -15.992 2.142 -2.225 1.00 0.00 C ATOM 1197 OD1 ASP A 78 -15.396 1.039 -2.347 1.00 0.00 O ATOM 1198 OD2 ASP A 78 -16.917 2.493 -2.989 1.00 0.00 O ATOM 0 H ASP A 78 -13.899 3.324 0.675 1.00 0.00 H new ATOM 0 HA ASP A 78 -13.681 2.986 -2.075 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -15.570 2.518 -0.148 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -16.291 3.877 -0.987 1.00 0.00 H new ATOM 1203 N PRO A 79 -14.438 6.158 -1.384 1.00 0.00 N ATOM 1204 CA PRO A 79 -14.473 7.446 -2.072 1.00 0.00 C ATOM 1205 C PRO A 79 -13.110 7.872 -2.616 1.00 0.00 C ATOM 1206 O PRO A 79 -13.046 8.823 -3.393 1.00 0.00 O ATOM 1207 CB PRO A 79 -15.005 8.458 -1.052 1.00 0.00 C ATOM 1208 CG PRO A 79 -14.559 7.866 0.279 1.00 0.00 C ATOM 1209 CD PRO A 79 -14.713 6.368 0.031 1.00 0.00 C ATOM 0 HA PRO A 79 -15.114 7.381 -2.952 1.00 0.00 H new ATOM 0 HB2 PRO A 79 -14.587 9.452 -1.213 1.00 0.00 H new ATOM 0 HB3 PRO A 79 -16.089 8.556 -1.108 1.00 0.00 H new ATOM 0 HG2 PRO A 79 -13.531 8.135 0.521 1.00 0.00 H new ATOM 0 HG3 PRO A 79 -15.181 8.208 1.106 1.00 0.00 H new ATOM 0 HD2 PRO A 79 -14.021 5.798 0.651 1.00 0.00 H new ATOM 0 HD3 PRO A 79 -15.718 6.033 0.286 1.00 0.00 H new ATOM 1217 N LEU A 80 -12.017 7.217 -2.218 1.00 0.00 N ATOM 1218 CA LEU A 80 -10.674 7.536 -2.679 1.00 0.00 C ATOM 1219 C LEU A 80 -10.219 6.581 -3.788 1.00 0.00 C ATOM 1220 O LEU A 80 -9.090 6.712 -4.263 1.00 0.00 O ATOM 1221 CB LEU A 80 -9.705 7.485 -1.491 1.00 0.00 C ATOM 1222 CG LEU A 80 -10.009 8.444 -0.324 1.00 0.00 C ATOM 1223 CD1 LEU A 80 -9.040 8.186 0.835 1.00 0.00 C ATOM 1224 CD2 LEU A 80 -9.894 9.911 -0.756 1.00 0.00 C ATOM 0 H LEU A 80 -12.046 6.440 -1.557 1.00 0.00 H new ATOM 0 HA LEU A 80 -10.681 8.541 -3.101 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -9.692 6.466 -1.103 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -8.701 7.699 -1.858 1.00 0.00 H new ATOM 0 HG LEU A 80 -11.034 8.256 -0.004 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -9.263 8.869 1.655 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -9.150 7.158 1.179 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -8.017 8.348 0.496 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -10.115 10.559 0.092 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -8.882 10.108 -1.109 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -10.603 10.110 -1.559 1.00 0.00 H new ATOM 1236 N LEU A 81 -11.052 5.614 -4.193 1.00 0.00 N ATOM 1237 CA LEU A 81 -10.678 4.570 -5.147 1.00 0.00 C ATOM 1238 C LEU A 81 -11.764 4.173 -6.142 1.00 0.00 C ATOM 1239 O LEU A 81 -11.414 3.716 -7.233 1.00 0.00 O ATOM 1240 CB LEU A 81 -10.209 3.318 -4.388 1.00 0.00 C ATOM 1241 CG LEU A 81 -8.682 3.219 -4.229 1.00 0.00 C ATOM 1242 CD1 LEU A 81 -8.390 1.968 -3.403 1.00 0.00 C ATOM 1243 CD2 LEU A 81 -7.978 3.108 -5.592 1.00 0.00 C ATOM 0 H LEU A 81 -12.014 5.536 -3.862 1.00 0.00 H new ATOM 0 HA LEU A 81 -9.877 5.006 -5.744 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -10.668 3.311 -3.399 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -10.568 2.432 -4.912 1.00 0.00 H new ATOM 0 HG LEU A 81 -8.308 4.119 -3.741 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -7.313 1.864 -3.269 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -8.870 2.055 -2.429 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -8.778 1.091 -3.921 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -6.901 3.040 -5.441 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -8.329 2.216 -6.111 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -8.205 3.989 -6.192 1.00 0.00 H new ATOM 1255 N LYS A 82 -13.043 4.305 -5.791 1.00 0.00 N ATOM 1256 CA LYS A 82 -14.175 4.090 -6.676 1.00 0.00 C ATOM 1257 C LYS A 82 -14.580 5.487 -7.085 1.00 0.00 C ATOM 1258 O LYS A 82 -15.063 6.259 -6.231 1.00 0.00 O ATOM 1259 CB LYS A 82 -15.248 3.213 -5.987 1.00 0.00 C ATOM 1260 CG LYS A 82 -16.738 3.589 -6.091 1.00 0.00 C ATOM 1261 CD LYS A 82 -17.321 3.919 -7.470 1.00 0.00 C ATOM 1262 CE LYS A 82 -16.967 2.898 -8.553 1.00 0.00 C ATOM 1263 NZ LYS A 82 -17.789 3.112 -9.760 1.00 0.00 N ATOM 1264 OXT LYS A 82 -14.329 5.825 -8.264 1.00 0.00 O ATOM 0 H LYS A 82 -13.323 4.574 -4.848 1.00 0.00 H new ATOM 0 HA LYS A 82 -13.966 3.510 -7.575 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -15.141 2.202 -6.381 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -14.999 3.170 -4.927 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -17.317 2.763 -5.677 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -16.907 4.451 -5.446 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -18.406 3.986 -7.388 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -16.963 4.901 -7.779 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -15.910 2.981 -8.807 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -17.125 1.888 -8.174 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -17.534 2.409 -10.483 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -18.795 3.009 -9.517 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -17.618 4.068 -10.131 1.00 0.00 H new TER 1278 LYS A 82