USER MOD reduce.3.24.130724 H: found=0, std=0, add=656, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 657 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 76 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 97 HIS : no HD1:sc= 0 X(o=0,f=-0.056) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot 180:sc= -0.186 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 173:sc= 0 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 180:sc= -1.87 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 41 TYR OH : rot 110:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 HIS : no HE2:sc= -0.455 K(o=-0.45,f=-2.1) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 THR OG1 : rot 180:sc= -0.0428 USER MOD Single : A 62 SER OG : rot 180:sc= -0.0153 USER MOD Single : A 64 ASN : amide:sc= -2.03! C(o=-2!,f=-3.9!) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 GLN : amide:sc= -0.0216 K(o=-0.022,f=-1.6!) USER MOD Single : A 85 SER OG : rot 165:sc= 0.565 USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 GLN : amide:sc= -0.0408 K(o=-0.041,f=-0.76) USER MOD Single : A 96 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 98 SER OG : rot 130:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 66 N PRO A 8 14.068 6.937 5.576 1.00 0.00 N ATOM 67 CA PRO A 8 14.021 6.928 4.111 1.00 0.00 C ATOM 68 C PRO A 8 12.974 7.889 3.558 1.00 0.00 C ATOM 69 O PRO A 8 12.058 8.317 4.261 1.00 0.00 O ATOM 70 CB PRO A 8 13.649 5.481 3.777 1.00 0.00 C ATOM 71 CG PRO A 8 12.926 4.989 4.983 1.00 0.00 C ATOM 72 CD PRO A 8 13.556 5.685 6.157 1.00 0.00 C ATOM 0 HA PRO A 8 14.964 7.253 3.671 1.00 0.00 H new ATOM 0 HB2 PRO A 8 13.019 5.429 2.889 1.00 0.00 H new ATOM 0 HB3 PRO A 8 14.536 4.881 3.575 1.00 0.00 H new ATOM 0 HG2 PRO A 8 11.862 5.216 4.920 1.00 0.00 H new ATOM 0 HG3 PRO A 8 13.016 3.907 5.077 1.00 0.00 H new ATOM 0 HD2 PRO A 8 12.830 5.876 6.948 1.00 0.00 H new ATOM 0 HD3 PRO A 8 14.356 5.089 6.596 1.00 0.00 H new ATOM 80 N PRO A 9 13.109 8.236 2.270 1.00 0.00 N ATOM 81 CA PRO A 9 12.182 9.149 1.595 1.00 0.00 C ATOM 82 C PRO A 9 10.806 8.527 1.384 1.00 0.00 C ATOM 83 O PRO A 9 10.670 7.306 1.317 1.00 0.00 O ATOM 84 CB PRO A 9 12.862 9.413 0.248 1.00 0.00 C ATOM 85 CG PRO A 9 13.716 8.215 0.014 1.00 0.00 C ATOM 86 CD PRO A 9 14.177 7.763 1.373 1.00 0.00 C ATOM 0 HA PRO A 9 11.999 10.050 2.180 1.00 0.00 H new ATOM 0 HB2 PRO A 9 12.128 9.538 -0.548 1.00 0.00 H new ATOM 0 HB3 PRO A 9 13.458 10.325 0.278 1.00 0.00 H new ATOM 0 HG2 PRO A 9 13.155 7.428 -0.489 1.00 0.00 H new ATOM 0 HG3 PRO A 9 14.565 8.460 -0.625 1.00 0.00 H new ATOM 0 HD2 PRO A 9 14.290 6.680 1.419 1.00 0.00 H new ATOM 0 HD3 PRO A 9 15.143 8.196 1.634 1.00 0.00 H new ATOM 94 N ALA A 10 9.788 9.375 1.280 1.00 0.00 N ATOM 95 CA ALA A 10 8.423 8.909 1.074 1.00 0.00 C ATOM 96 C ALA A 10 8.300 8.128 -0.230 1.00 0.00 C ATOM 97 O ALA A 10 8.576 8.653 -1.308 1.00 0.00 O ATOM 98 CB ALA A 10 7.457 10.084 1.080 1.00 0.00 C ATOM 0 H ALA A 10 9.883 10.389 1.335 1.00 0.00 H new ATOM 0 HA ALA A 10 8.167 8.238 1.894 1.00 0.00 H new ATOM 0 HB1 ALA A 10 6.441 9.721 0.925 1.00 0.00 H new ATOM 0 HB2 ALA A 10 7.516 10.599 2.039 1.00 0.00 H new ATOM 0 HB3 ALA A 10 7.721 10.776 0.280 1.00 0.00 H new ATOM 104 N VAL A 11 7.886 6.869 -0.124 1.00 0.00 N ATOM 105 CA VAL A 11 7.726 6.015 -1.295 1.00 0.00 C ATOM 106 C VAL A 11 7.051 6.768 -2.436 1.00 0.00 C ATOM 107 O VAL A 11 6.005 7.388 -2.250 1.00 0.00 O ATOM 108 CB VAL A 11 6.900 4.758 -0.964 1.00 0.00 C ATOM 109 CG1 VAL A 11 6.899 3.795 -2.142 1.00 0.00 C ATOM 110 CG2 VAL A 11 7.438 4.081 0.288 1.00 0.00 C ATOM 0 H VAL A 11 7.655 6.418 0.761 1.00 0.00 H new ATOM 0 HA VAL A 11 8.726 5.712 -1.605 1.00 0.00 H new ATOM 0 HB VAL A 11 5.871 5.061 -0.771 1.00 0.00 H new ATOM 0 HG11 VAL A 11 6.311 2.913 -1.890 1.00 0.00 H new ATOM 0 HG12 VAL A 11 6.463 4.285 -3.012 1.00 0.00 H new ATOM 0 HG13 VAL A 11 7.922 3.496 -2.368 1.00 0.00 H new ATOM 0 HG21 VAL A 11 6.842 3.195 0.507 1.00 0.00 H new ATOM 0 HG22 VAL A 11 8.476 3.790 0.127 1.00 0.00 H new ATOM 0 HG23 VAL A 11 7.382 4.773 1.128 1.00 0.00 H new ATOM 120 N SER A 12 7.658 6.708 -3.617 1.00 0.00 N ATOM 121 CA SER A 12 7.117 7.387 -4.789 1.00 0.00 C ATOM 122 C SER A 12 6.981 6.421 -5.962 1.00 0.00 C ATOM 123 O SER A 12 7.344 5.249 -5.860 1.00 0.00 O ATOM 124 CB SER A 12 8.015 8.562 -5.183 1.00 0.00 C ATOM 125 OG SER A 12 9.107 8.127 -5.975 1.00 0.00 O ATOM 0 H SER A 12 8.524 6.197 -3.788 1.00 0.00 H new ATOM 0 HA SER A 12 6.126 7.764 -4.535 1.00 0.00 H new ATOM 0 HB2 SER A 12 7.433 9.300 -5.735 1.00 0.00 H new ATOM 0 HB3 SER A 12 8.387 9.056 -4.286 1.00 0.00 H new ATOM 0 HG SER A 12 9.664 8.897 -6.215 1.00 0.00 H new ATOM 131 N ASP A 13 6.456 6.922 -7.075 1.00 0.00 N ATOM 132 CA ASP A 13 6.272 6.105 -8.268 1.00 0.00 C ATOM 133 C ASP A 13 5.654 4.757 -7.914 1.00 0.00 C ATOM 134 O ASP A 13 6.188 3.705 -8.269 1.00 0.00 O ATOM 135 CB ASP A 13 7.610 5.896 -8.980 1.00 0.00 C ATOM 136 CG ASP A 13 8.012 7.092 -9.820 1.00 0.00 C ATOM 137 OD1 ASP A 13 7.250 7.454 -10.741 1.00 0.00 O ATOM 138 OD2 ASP A 13 9.089 7.666 -9.557 1.00 0.00 O ATOM 0 H ASP A 13 6.151 7.890 -7.175 1.00 0.00 H new ATOM 0 HA ASP A 13 5.591 6.631 -8.937 1.00 0.00 H new ATOM 0 HB2 ASP A 13 8.385 5.699 -8.240 1.00 0.00 H new ATOM 0 HB3 ASP A 13 7.545 5.014 -9.617 1.00 0.00 H new ATOM 143 N ILE A 14 4.527 4.795 -7.211 1.00 0.00 N ATOM 144 CA ILE A 14 3.836 3.576 -6.808 1.00 0.00 C ATOM 145 C ILE A 14 2.815 3.150 -7.858 1.00 0.00 C ATOM 146 O ILE A 14 1.708 3.685 -7.913 1.00 0.00 O ATOM 147 CB ILE A 14 3.122 3.754 -5.456 1.00 0.00 C ATOM 148 CG1 ILE A 14 4.142 4.020 -4.347 1.00 0.00 C ATOM 149 CG2 ILE A 14 2.288 2.523 -5.131 1.00 0.00 C ATOM 150 CD1 ILE A 14 3.540 4.654 -3.112 1.00 0.00 C ATOM 0 H ILE A 14 4.073 5.657 -6.909 1.00 0.00 H new ATOM 0 HA ILE A 14 4.596 2.801 -6.708 1.00 0.00 H new ATOM 0 HB ILE A 14 2.455 4.613 -5.525 1.00 0.00 H new ATOM 0 HG12 ILE A 14 4.617 3.079 -4.068 1.00 0.00 H new ATOM 0 HG13 ILE A 14 4.926 4.671 -4.734 1.00 0.00 H new ATOM 0 HG21 ILE A 14 1.789 2.664 -4.172 1.00 0.00 H new ATOM 0 HG22 ILE A 14 1.541 2.374 -5.910 1.00 0.00 H new ATOM 0 HG23 ILE A 14 2.936 1.648 -5.078 1.00 0.00 H new ATOM 0 HD11 ILE A 14 4.320 4.814 -2.368 1.00 0.00 H new ATOM 0 HD12 ILE A 14 3.090 5.611 -3.377 1.00 0.00 H new ATOM 0 HD13 ILE A 14 2.776 3.995 -2.700 1.00 0.00 H new ATOM 162 N ARG A 15 3.195 2.184 -8.688 1.00 0.00 N ATOM 163 CA ARG A 15 2.312 1.686 -9.736 1.00 0.00 C ATOM 164 C ARG A 15 1.528 0.470 -9.253 1.00 0.00 C ATOM 165 O ARG A 15 1.959 -0.239 -8.343 1.00 0.00 O ATOM 166 CB ARG A 15 3.120 1.324 -10.983 1.00 0.00 C ATOM 167 CG ARG A 15 2.290 1.285 -12.256 1.00 0.00 C ATOM 168 CD ARG A 15 3.170 1.174 -13.491 1.00 0.00 C ATOM 169 NE ARG A 15 2.408 0.777 -14.672 1.00 0.00 N ATOM 170 CZ ARG A 15 2.968 0.426 -15.825 1.00 0.00 C ATOM 171 NH1 ARG A 15 4.288 0.424 -15.950 1.00 0.00 N ATOM 172 NH2 ARG A 15 2.208 0.077 -16.854 1.00 0.00 N ATOM 0 H ARG A 15 4.108 1.731 -8.655 1.00 0.00 H new ATOM 0 HA ARG A 15 1.604 2.476 -9.987 1.00 0.00 H new ATOM 0 HB2 ARG A 15 3.926 2.048 -11.107 1.00 0.00 H new ATOM 0 HB3 ARG A 15 3.587 0.350 -10.833 1.00 0.00 H new ATOM 0 HG2 ARG A 15 1.604 0.438 -12.219 1.00 0.00 H new ATOM 0 HG3 ARG A 15 1.680 2.186 -12.322 1.00 0.00 H new ATOM 0 HD2 ARG A 15 3.655 2.132 -13.678 1.00 0.00 H new ATOM 0 HD3 ARG A 15 3.961 0.446 -13.308 1.00 0.00 H new ATOM 0 HE ARG A 15 1.390 0.769 -14.608 1.00 0.00 H new ATOM 0 HH11 ARG A 15 4.875 0.692 -15.160 1.00 0.00 H new ATOM 0 HH12 ARG A 15 4.716 0.154 -16.836 1.00 0.00 H new ATOM 0 HH21 ARG A 15 1.192 0.078 -16.761 1.00 0.00 H new ATOM 0 HH22 ARG A 15 2.639 -0.192 -17.738 1.00 0.00 H new ATOM 186 N VAL A 16 0.374 0.233 -9.869 1.00 0.00 N ATOM 187 CA VAL A 16 -0.470 -0.898 -9.503 1.00 0.00 C ATOM 188 C VAL A 16 -0.685 -1.830 -10.690 1.00 0.00 C ATOM 189 O VAL A 16 -1.591 -1.625 -11.499 1.00 0.00 O ATOM 190 CB VAL A 16 -1.840 -0.429 -8.978 1.00 0.00 C ATOM 191 CG1 VAL A 16 -2.808 -1.599 -8.892 1.00 0.00 C ATOM 192 CG2 VAL A 16 -1.688 0.248 -7.624 1.00 0.00 C ATOM 0 H VAL A 16 0.002 0.809 -10.624 1.00 0.00 H new ATOM 0 HA VAL A 16 0.049 -1.437 -8.711 1.00 0.00 H new ATOM 0 HB VAL A 16 -2.249 0.299 -9.679 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -3.770 -1.248 -8.519 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -2.940 -2.036 -9.882 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -2.409 -2.353 -8.213 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -2.666 0.573 -7.268 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -1.258 -0.456 -6.911 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -1.031 1.113 -7.721 1.00 0.00 H new ATOM 202 N THR A 17 0.154 -2.856 -10.790 1.00 0.00 N ATOM 203 CA THR A 17 0.057 -3.820 -11.878 1.00 0.00 C ATOM 204 C THR A 17 -0.548 -5.134 -11.397 1.00 0.00 C ATOM 205 O THR A 17 -0.679 -5.365 -10.195 1.00 0.00 O ATOM 206 CB THR A 17 1.436 -4.102 -12.504 1.00 0.00 C ATOM 207 OG1 THR A 17 1.285 -4.905 -13.680 1.00 0.00 O ATOM 208 CG2 THR A 17 2.345 -4.812 -11.512 1.00 0.00 C ATOM 0 H THR A 17 0.909 -3.041 -10.130 1.00 0.00 H new ATOM 0 HA THR A 17 -0.593 -3.379 -12.633 1.00 0.00 H new ATOM 0 HB THR A 17 1.891 -3.149 -12.772 1.00 0.00 H new ATOM 0 HG1 THR A 17 2.166 -5.078 -14.073 1.00 0.00 H new ATOM 0 HG21 THR A 17 3.313 -5.001 -11.976 1.00 0.00 H new ATOM 0 HG22 THR A 17 2.481 -4.186 -10.630 1.00 0.00 H new ATOM 0 HG23 THR A 17 1.893 -5.759 -11.218 1.00 0.00 H new ATOM 216 N ARG A 18 -0.916 -5.993 -12.343 1.00 0.00 N ATOM 217 CA ARG A 18 -1.507 -7.284 -12.014 1.00 0.00 C ATOM 218 C ARG A 18 -2.763 -7.106 -11.165 1.00 0.00 C ATOM 219 O ARG A 18 -2.925 -7.761 -10.135 1.00 0.00 O ATOM 220 CB ARG A 18 -0.496 -8.159 -11.271 1.00 0.00 C ATOM 221 CG ARG A 18 -0.694 -9.648 -11.501 1.00 0.00 C ATOM 222 CD ARG A 18 0.040 -10.123 -12.745 1.00 0.00 C ATOM 223 NE ARG A 18 1.452 -10.383 -12.482 1.00 0.00 N ATOM 224 CZ ARG A 18 1.885 -11.362 -11.695 1.00 0.00 C ATOM 225 NH1 ARG A 18 1.019 -12.169 -11.098 1.00 0.00 N ATOM 226 NH2 ARG A 18 3.187 -11.535 -11.505 1.00 0.00 N ATOM 0 H ARG A 18 -0.815 -5.818 -13.343 1.00 0.00 H new ATOM 0 HA ARG A 18 -1.785 -7.776 -12.946 1.00 0.00 H new ATOM 0 HB2 ARG A 18 0.511 -7.882 -11.584 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -0.565 -7.953 -10.203 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -0.337 -10.202 -10.633 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -1.758 -9.863 -11.601 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -0.432 -11.031 -13.120 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -0.050 -9.371 -13.528 1.00 0.00 H new ATOM 0 HE ARG A 18 2.144 -9.780 -12.927 1.00 0.00 H new ATOM 0 HH11 ARG A 18 0.018 -12.039 -11.242 1.00 0.00 H new ATOM 0 HH12 ARG A 18 1.354 -12.920 -10.494 1.00 0.00 H new ATOM 0 HH21 ARG A 18 3.856 -10.916 -11.963 1.00 0.00 H new ATOM 0 HH22 ARG A 18 3.519 -12.287 -10.901 1.00 0.00 H new ATOM 240 N SER A 19 -3.647 -6.217 -11.603 1.00 0.00 N ATOM 241 CA SER A 19 -4.885 -5.950 -10.881 1.00 0.00 C ATOM 242 C SER A 19 -5.830 -7.145 -10.962 1.00 0.00 C ATOM 243 O SER A 19 -5.935 -7.798 -12.000 1.00 0.00 O ATOM 244 CB SER A 19 -5.571 -4.704 -11.446 1.00 0.00 C ATOM 245 OG SER A 19 -5.738 -4.806 -12.849 1.00 0.00 O ATOM 0 H SER A 19 -3.529 -5.669 -12.455 1.00 0.00 H new ATOM 0 HA SER A 19 -4.636 -5.776 -9.834 1.00 0.00 H new ATOM 0 HB2 SER A 19 -6.543 -4.572 -10.970 1.00 0.00 H new ATOM 0 HB3 SER A 19 -4.978 -3.820 -11.210 1.00 0.00 H new ATOM 0 HG SER A 19 -6.180 -3.999 -13.185 1.00 0.00 H new ATOM 251 N SER A 20 -6.515 -7.425 -9.858 1.00 0.00 N ATOM 252 CA SER A 20 -7.449 -8.544 -9.801 1.00 0.00 C ATOM 253 C SER A 20 -8.817 -8.085 -9.307 1.00 0.00 C ATOM 254 O SER A 20 -8.952 -7.063 -8.634 1.00 0.00 O ATOM 255 CB SER A 20 -6.905 -9.643 -8.886 1.00 0.00 C ATOM 256 OG SER A 20 -5.950 -10.443 -9.561 1.00 0.00 O ATOM 0 H SER A 20 -6.441 -6.893 -8.991 1.00 0.00 H new ATOM 0 HA SER A 20 -7.562 -8.943 -10.809 1.00 0.00 H new ATOM 0 HB2 SER A 20 -6.449 -9.193 -8.004 1.00 0.00 H new ATOM 0 HB3 SER A 20 -7.726 -10.269 -8.536 1.00 0.00 H new ATOM 0 HG SER A 20 -5.534 -11.062 -8.925 1.00 0.00 H new ATOM 262 N PRO A 21 -9.858 -8.859 -9.649 1.00 0.00 N ATOM 263 CA PRO A 21 -11.236 -8.553 -9.251 1.00 0.00 C ATOM 264 C PRO A 21 -11.462 -8.741 -7.755 1.00 0.00 C ATOM 265 O PRO A 21 -12.334 -8.103 -7.165 1.00 0.00 O ATOM 266 CB PRO A 21 -12.067 -9.561 -10.048 1.00 0.00 C ATOM 267 CG PRO A 21 -11.140 -10.698 -10.306 1.00 0.00 C ATOM 268 CD PRO A 21 -9.771 -10.091 -10.450 1.00 0.00 C ATOM 0 HA PRO A 21 -11.497 -7.513 -9.449 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -12.943 -9.884 -9.485 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -12.429 -9.126 -10.980 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -11.165 -11.416 -9.486 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -11.425 -11.237 -11.210 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -8.994 -10.759 -10.077 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -9.534 -9.877 -11.492 1.00 0.00 H new ATOM 276 N SER A 22 -10.671 -9.619 -7.147 1.00 0.00 N ATOM 277 CA SER A 22 -10.788 -9.893 -5.720 1.00 0.00 C ATOM 278 C SER A 22 -9.445 -9.707 -5.019 1.00 0.00 C ATOM 279 O SER A 22 -9.208 -10.269 -3.950 1.00 0.00 O ATOM 280 CB SER A 22 -11.303 -11.315 -5.492 1.00 0.00 C ATOM 281 OG SER A 22 -12.705 -11.387 -5.681 1.00 0.00 O ATOM 0 H SER A 22 -9.942 -10.153 -7.621 1.00 0.00 H new ATOM 0 HA SER A 22 -11.500 -9.185 -5.297 1.00 0.00 H new ATOM 0 HB2 SER A 22 -10.805 -12.000 -6.178 1.00 0.00 H new ATOM 0 HB3 SER A 22 -11.052 -11.638 -4.482 1.00 0.00 H new ATOM 0 HG SER A 22 -13.008 -12.307 -5.531 1.00 0.00 H new ATOM 287 N SER A 23 -8.570 -8.916 -5.631 1.00 0.00 N ATOM 288 CA SER A 23 -7.249 -8.658 -5.070 1.00 0.00 C ATOM 289 C SER A 23 -6.562 -7.510 -5.803 1.00 0.00 C ATOM 290 O SER A 23 -6.901 -7.195 -6.944 1.00 0.00 O ATOM 291 CB SER A 23 -6.385 -9.918 -5.147 1.00 0.00 C ATOM 292 OG SER A 23 -6.657 -10.652 -6.329 1.00 0.00 O ATOM 0 H SER A 23 -8.752 -8.442 -6.516 1.00 0.00 H new ATOM 0 HA SER A 23 -7.374 -8.375 -4.025 1.00 0.00 H new ATOM 0 HB2 SER A 23 -5.331 -9.642 -5.121 1.00 0.00 H new ATOM 0 HB3 SER A 23 -6.572 -10.545 -4.275 1.00 0.00 H new ATOM 0 HG SER A 23 -6.091 -11.451 -6.355 1.00 0.00 H new ATOM 298 N LEU A 24 -5.594 -6.889 -5.139 1.00 0.00 N ATOM 299 CA LEU A 24 -4.857 -5.775 -5.725 1.00 0.00 C ATOM 300 C LEU A 24 -3.364 -5.898 -5.437 1.00 0.00 C ATOM 301 O LEU A 24 -2.942 -5.890 -4.281 1.00 0.00 O ATOM 302 CB LEU A 24 -5.385 -4.446 -5.182 1.00 0.00 C ATOM 303 CG LEU A 24 -6.885 -4.201 -5.349 1.00 0.00 C ATOM 304 CD1 LEU A 24 -7.315 -2.970 -4.568 1.00 0.00 C ATOM 305 CD2 LEU A 24 -7.241 -4.053 -6.821 1.00 0.00 C ATOM 0 H LEU A 24 -5.301 -7.138 -4.194 1.00 0.00 H new ATOM 0 HA LEU A 24 -5.003 -5.803 -6.805 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -5.144 -4.389 -4.121 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -4.848 -3.636 -5.675 1.00 0.00 H new ATOM 0 HG LEU A 24 -7.421 -5.063 -4.952 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -8.385 -2.812 -4.699 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -7.096 -3.116 -3.510 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -6.772 -2.099 -4.934 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -8.312 -3.879 -6.921 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -6.696 -3.209 -7.244 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -6.970 -4.964 -7.354 1.00 0.00 H new ATOM 317 N SER A 25 -2.569 -6.009 -6.497 1.00 0.00 N ATOM 318 CA SER A 25 -1.123 -6.135 -6.358 1.00 0.00 C ATOM 319 C SER A 25 -0.454 -4.764 -6.377 1.00 0.00 C ATOM 320 O SER A 25 -0.746 -3.929 -7.235 1.00 0.00 O ATOM 321 CB SER A 25 -0.556 -7.007 -7.480 1.00 0.00 C ATOM 322 OG SER A 25 0.860 -6.956 -7.499 1.00 0.00 O ATOM 0 H SER A 25 -2.902 -6.014 -7.461 1.00 0.00 H new ATOM 0 HA SER A 25 -0.915 -6.608 -5.399 1.00 0.00 H new ATOM 0 HB2 SER A 25 -0.884 -8.038 -7.345 1.00 0.00 H new ATOM 0 HB3 SER A 25 -0.948 -6.671 -8.440 1.00 0.00 H new ATOM 0 HG SER A 25 1.198 -7.523 -8.224 1.00 0.00 H new ATOM 328 N LEU A 26 0.445 -4.538 -5.425 1.00 0.00 N ATOM 329 CA LEU A 26 1.157 -3.268 -5.331 1.00 0.00 C ATOM 330 C LEU A 26 2.652 -3.464 -5.559 1.00 0.00 C ATOM 331 O LEU A 26 3.183 -4.555 -5.354 1.00 0.00 O ATOM 332 CB LEU A 26 0.917 -2.627 -3.963 1.00 0.00 C ATOM 333 CG LEU A 26 -0.545 -2.437 -3.557 1.00 0.00 C ATOM 334 CD1 LEU A 26 -0.649 -2.110 -2.076 1.00 0.00 C ATOM 335 CD2 LEU A 26 -1.192 -1.343 -4.394 1.00 0.00 C ATOM 0 H LEU A 26 0.698 -5.217 -4.708 1.00 0.00 H new ATOM 0 HA LEU A 26 0.774 -2.606 -6.108 1.00 0.00 H new ATOM 0 HB2 LEU A 26 1.406 -3.240 -3.206 1.00 0.00 H new ATOM 0 HB3 LEU A 26 1.406 -1.653 -3.950 1.00 0.00 H new ATOM 0 HG LEU A 26 -1.078 -3.370 -3.740 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -1.697 -1.978 -1.805 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -0.223 -2.926 -1.492 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -0.102 -1.191 -1.867 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -2.232 -1.221 -4.092 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -0.658 -0.405 -4.243 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -1.150 -1.618 -5.448 1.00 0.00 H new ATOM 347 N ALA A 27 3.325 -2.399 -5.982 1.00 0.00 N ATOM 348 CA ALA A 27 4.760 -2.453 -6.234 1.00 0.00 C ATOM 349 C ALA A 27 5.338 -1.054 -6.417 1.00 0.00 C ATOM 350 O ALA A 27 4.861 -0.279 -7.246 1.00 0.00 O ATOM 351 CB ALA A 27 5.050 -3.310 -7.457 1.00 0.00 C ATOM 0 H ALA A 27 2.900 -1.489 -6.157 1.00 0.00 H new ATOM 0 HA ALA A 27 5.239 -2.905 -5.366 1.00 0.00 H new ATOM 0 HB1 ALA A 27 6.125 -3.341 -7.633 1.00 0.00 H new ATOM 0 HB2 ALA A 27 4.681 -4.322 -7.288 1.00 0.00 H new ATOM 0 HB3 ALA A 27 4.552 -2.882 -8.327 1.00 0.00 H new ATOM 357 N TRP A 28 6.366 -0.737 -5.638 1.00 0.00 N ATOM 358 CA TRP A 28 7.009 0.570 -5.715 1.00 0.00 C ATOM 359 C TRP A 28 8.428 0.448 -6.259 1.00 0.00 C ATOM 360 O TRP A 28 8.963 -0.653 -6.379 1.00 0.00 O ATOM 361 CB TRP A 28 7.033 1.231 -4.336 1.00 0.00 C ATOM 362 CG TRP A 28 7.097 0.247 -3.207 1.00 0.00 C ATOM 363 CD1 TRP A 28 8.104 0.113 -2.293 1.00 0.00 C ATOM 364 CD2 TRP A 28 6.116 -0.741 -2.874 1.00 0.00 C ATOM 365 NE1 TRP A 28 7.807 -0.898 -1.412 1.00 0.00 N ATOM 366 CE2 TRP A 28 6.593 -1.437 -1.746 1.00 0.00 C ATOM 367 CE3 TRP A 28 4.880 -1.103 -3.416 1.00 0.00 C ATOM 368 CZ2 TRP A 28 5.877 -2.475 -1.155 1.00 0.00 C ATOM 369 CZ3 TRP A 28 4.171 -2.133 -2.829 1.00 0.00 C ATOM 370 CH2 TRP A 28 4.670 -2.809 -1.707 1.00 0.00 C ATOM 0 H TRP A 28 6.772 -1.367 -4.946 1.00 0.00 H new ATOM 0 HA TRP A 28 6.431 1.192 -6.398 1.00 0.00 H new ATOM 0 HB2 TRP A 28 7.893 1.899 -4.276 1.00 0.00 H new ATOM 0 HB3 TRP A 28 6.142 1.848 -4.221 1.00 0.00 H new ATOM 0 HD1 TRP A 28 9.001 0.714 -2.267 1.00 0.00 H new ATOM 0 HE1 TRP A 28 8.395 -1.199 -0.635 1.00 0.00 H new ATOM 0 HE3 TRP A 28 4.486 -0.587 -4.279 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 6.261 -2.998 -0.291 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 3.216 -2.422 -3.242 1.00 0.00 H new ATOM 0 HH2 TRP A 28 4.091 -3.609 -1.270 1.00 0.00 H new ATOM 381 N ALA A 29 9.032 1.586 -6.585 1.00 0.00 N ATOM 382 CA ALA A 29 10.390 1.606 -7.114 1.00 0.00 C ATOM 383 C ALA A 29 11.408 1.841 -6.004 1.00 0.00 C ATOM 384 O ALA A 29 11.436 2.907 -5.389 1.00 0.00 O ATOM 385 CB ALA A 29 10.522 2.674 -8.189 1.00 0.00 C ATOM 0 H ALA A 29 8.602 2.506 -6.492 1.00 0.00 H new ATOM 0 HA ALA A 29 10.595 0.632 -7.558 1.00 0.00 H new ATOM 0 HB1 ALA A 29 11.541 2.678 -8.575 1.00 0.00 H new ATOM 0 HB2 ALA A 29 9.827 2.461 -9.001 1.00 0.00 H new ATOM 0 HB3 ALA A 29 10.292 3.650 -7.762 1.00 0.00 H new ATOM 391 N VAL A 30 12.243 0.838 -5.750 1.00 0.00 N ATOM 392 CA VAL A 30 13.263 0.936 -4.713 1.00 0.00 C ATOM 393 C VAL A 30 13.833 2.348 -4.635 1.00 0.00 C ATOM 394 O VAL A 30 14.710 2.734 -5.408 1.00 0.00 O ATOM 395 CB VAL A 30 14.413 -0.057 -4.962 1.00 0.00 C ATOM 396 CG1 VAL A 30 15.440 0.023 -3.843 1.00 0.00 C ATOM 397 CG2 VAL A 30 13.874 -1.473 -5.102 1.00 0.00 C ATOM 0 H VAL A 30 12.233 -0.052 -6.249 1.00 0.00 H new ATOM 0 HA VAL A 30 12.779 0.690 -3.768 1.00 0.00 H new ATOM 0 HB VAL A 30 14.907 0.213 -5.896 1.00 0.00 H new ATOM 0 HG11 VAL A 30 16.245 -0.686 -4.037 1.00 0.00 H new ATOM 0 HG12 VAL A 30 15.849 1.032 -3.796 1.00 0.00 H new ATOM 0 HG13 VAL A 30 14.963 -0.220 -2.893 1.00 0.00 H new ATOM 0 HG21 VAL A 30 14.701 -2.161 -5.278 1.00 0.00 H new ATOM 0 HG22 VAL A 30 13.354 -1.756 -4.187 1.00 0.00 H new ATOM 0 HG23 VAL A 30 13.181 -1.517 -5.942 1.00 0.00 H new ATOM 407 N PRO A 31 13.325 3.139 -3.679 1.00 0.00 N ATOM 408 CA PRO A 31 13.769 4.521 -3.475 1.00 0.00 C ATOM 409 C PRO A 31 15.188 4.598 -2.922 1.00 0.00 C ATOM 410 O PRO A 31 15.755 3.590 -2.499 1.00 0.00 O ATOM 411 CB PRO A 31 12.767 5.070 -2.456 1.00 0.00 C ATOM 412 CG PRO A 31 12.277 3.869 -1.723 1.00 0.00 C ATOM 413 CD PRO A 31 12.277 2.745 -2.722 1.00 0.00 C ATOM 0 HA PRO A 31 13.797 5.082 -4.409 1.00 0.00 H new ATOM 0 HB2 PRO A 31 13.240 5.781 -1.779 1.00 0.00 H new ATOM 0 HB3 PRO A 31 11.948 5.595 -2.949 1.00 0.00 H new ATOM 0 HG2 PRO A 31 12.923 3.638 -0.876 1.00 0.00 H new ATOM 0 HG3 PRO A 31 11.277 4.037 -1.324 1.00 0.00 H new ATOM 0 HD2 PRO A 31 12.502 1.788 -2.251 1.00 0.00 H new ATOM 0 HD3 PRO A 31 11.307 2.640 -3.209 1.00 0.00 H new ATOM 421 N ARG A 32 15.755 5.800 -2.926 1.00 0.00 N ATOM 422 CA ARG A 32 17.109 6.007 -2.425 1.00 0.00 C ATOM 423 C ARG A 32 17.084 6.689 -1.060 1.00 0.00 C ATOM 424 O ARG A 32 16.667 7.841 -0.938 1.00 0.00 O ATOM 425 CB ARG A 32 17.918 6.849 -3.413 1.00 0.00 C ATOM 426 CG ARG A 32 18.630 6.026 -4.474 1.00 0.00 C ATOM 427 CD ARG A 32 17.661 5.516 -5.528 1.00 0.00 C ATOM 428 NE ARG A 32 18.218 4.404 -6.293 1.00 0.00 N ATOM 429 CZ ARG A 32 19.055 4.560 -7.312 1.00 0.00 C ATOM 430 NH1 ARG A 32 19.430 5.775 -7.687 1.00 0.00 N ATOM 431 NH2 ARG A 32 19.520 3.499 -7.959 1.00 0.00 N ATOM 0 H ARG A 32 15.298 6.645 -3.270 1.00 0.00 H new ATOM 0 HA ARG A 32 17.583 5.032 -2.317 1.00 0.00 H new ATOM 0 HB2 ARG A 32 17.252 7.559 -3.903 1.00 0.00 H new ATOM 0 HB3 ARG A 32 18.656 7.432 -2.862 1.00 0.00 H new ATOM 0 HG2 ARG A 32 19.400 6.633 -4.950 1.00 0.00 H new ATOM 0 HG3 ARG A 32 19.134 5.182 -4.003 1.00 0.00 H new ATOM 0 HD2 ARG A 32 16.737 5.197 -5.046 1.00 0.00 H new ATOM 0 HD3 ARG A 32 17.403 6.329 -6.206 1.00 0.00 H new ATOM 0 HE ARG A 32 17.950 3.456 -6.030 1.00 0.00 H new ATOM 0 HH11 ARG A 32 19.075 6.594 -7.192 1.00 0.00 H new ATOM 0 HH12 ARG A 32 20.073 5.891 -8.470 1.00 0.00 H new ATOM 0 HH21 ARG A 32 19.235 2.562 -7.674 1.00 0.00 H new ATOM 0 HH22 ARG A 32 20.163 3.620 -8.742 1.00 0.00 H new ATOM 445 N ALA A 33 17.533 5.970 -0.037 1.00 0.00 N ATOM 446 CA ALA A 33 17.564 6.506 1.318 1.00 0.00 C ATOM 447 C ALA A 33 18.972 6.948 1.702 1.00 0.00 C ATOM 448 O ALA A 33 19.968 6.333 1.320 1.00 0.00 O ATOM 449 CB ALA A 33 17.046 5.472 2.307 1.00 0.00 C ATOM 0 H ALA A 33 17.880 5.015 -0.121 1.00 0.00 H new ATOM 0 HA ALA A 33 16.915 7.381 1.350 1.00 0.00 H new ATOM 0 HB1 ALA A 33 17.075 5.886 3.315 1.00 0.00 H new ATOM 0 HB2 ALA A 33 16.020 5.207 2.053 1.00 0.00 H new ATOM 0 HB3 ALA A 33 17.672 4.581 2.263 1.00 0.00 H new ATOM 455 N PRO A 34 19.061 8.041 2.475 1.00 0.00 N ATOM 456 CA PRO A 34 20.343 8.589 2.927 1.00 0.00 C ATOM 457 C PRO A 34 21.030 7.691 3.949 1.00 0.00 C ATOM 458 O PRO A 34 22.251 7.728 4.101 1.00 0.00 O ATOM 459 CB PRO A 34 19.952 9.924 3.566 1.00 0.00 C ATOM 460 CG PRO A 34 18.534 9.743 3.985 1.00 0.00 C ATOM 461 CD PRO A 34 17.915 8.824 2.968 1.00 0.00 C ATOM 0 HA PRO A 34 21.056 8.685 2.108 1.00 0.00 H new ATOM 0 HB2 PRO A 34 20.590 10.157 4.419 1.00 0.00 H new ATOM 0 HB3 PRO A 34 20.054 10.747 2.858 1.00 0.00 H new ATOM 0 HG2 PRO A 34 18.475 9.314 4.985 1.00 0.00 H new ATOM 0 HG3 PRO A 34 18.011 10.699 4.016 1.00 0.00 H new ATOM 0 HD2 PRO A 34 17.154 8.185 3.415 1.00 0.00 H new ATOM 0 HD3 PRO A 34 17.433 9.380 2.164 1.00 0.00 H new ATOM 469 N SER A 35 20.238 6.883 4.647 1.00 0.00 N ATOM 470 CA SER A 35 20.771 5.977 5.658 1.00 0.00 C ATOM 471 C SER A 35 20.829 4.547 5.129 1.00 0.00 C ATOM 472 O SER A 35 19.883 3.776 5.284 1.00 0.00 O ATOM 473 CB SER A 35 19.912 6.029 6.924 1.00 0.00 C ATOM 474 OG SER A 35 20.438 5.183 7.931 1.00 0.00 O ATOM 0 H SER A 35 19.226 6.837 4.531 1.00 0.00 H new ATOM 0 HA SER A 35 21.784 6.298 5.901 1.00 0.00 H new ATOM 0 HB2 SER A 35 19.864 7.053 7.293 1.00 0.00 H new ATOM 0 HB3 SER A 35 18.891 5.728 6.688 1.00 0.00 H new ATOM 0 HG SER A 35 19.873 5.235 8.730 1.00 0.00 H new ATOM 480 N GLY A 36 21.949 4.200 4.502 1.00 0.00 N ATOM 481 CA GLY A 36 22.112 2.864 3.958 1.00 0.00 C ATOM 482 C GLY A 36 21.101 2.553 2.873 1.00 0.00 C ATOM 483 O GLY A 36 21.068 3.217 1.837 1.00 0.00 O ATOM 0 H GLY A 36 22.746 4.820 4.361 1.00 0.00 H new ATOM 0 HA2 GLY A 36 23.119 2.760 3.553 1.00 0.00 H new ATOM 0 HA3 GLY A 36 22.015 2.134 4.761 1.00 0.00 H new ATOM 487 N ALA A 37 20.275 1.539 3.109 1.00 0.00 N ATOM 488 CA ALA A 37 19.258 1.141 2.143 1.00 0.00 C ATOM 489 C ALA A 37 18.007 0.623 2.845 1.00 0.00 C ATOM 490 O ALA A 37 18.093 -0.050 3.872 1.00 0.00 O ATOM 491 CB ALA A 37 19.812 0.084 1.199 1.00 0.00 C ATOM 0 H ALA A 37 20.290 0.978 3.961 1.00 0.00 H new ATOM 0 HA ALA A 37 18.979 2.020 1.563 1.00 0.00 H new ATOM 0 HB1 ALA A 37 19.042 -0.204 0.483 1.00 0.00 H new ATOM 0 HB2 ALA A 37 20.672 0.488 0.664 1.00 0.00 H new ATOM 0 HB3 ALA A 37 20.120 -0.791 1.772 1.00 0.00 H new ATOM 497 N VAL A 38 16.845 0.941 2.284 1.00 0.00 N ATOM 498 CA VAL A 38 15.576 0.507 2.856 1.00 0.00 C ATOM 499 C VAL A 38 15.646 -0.947 3.309 1.00 0.00 C ATOM 500 O VAL A 38 16.475 -1.720 2.827 1.00 0.00 O ATOM 501 CB VAL A 38 14.423 0.664 1.848 1.00 0.00 C ATOM 502 CG1 VAL A 38 13.086 0.375 2.515 1.00 0.00 C ATOM 503 CG2 VAL A 38 14.433 2.058 1.240 1.00 0.00 C ATOM 0 H VAL A 38 16.756 1.498 1.434 1.00 0.00 H new ATOM 0 HA VAL A 38 15.383 1.145 3.719 1.00 0.00 H new ATOM 0 HB VAL A 38 14.565 -0.059 1.045 1.00 0.00 H new ATOM 0 HG11 VAL A 38 12.283 0.491 1.787 1.00 0.00 H new ATOM 0 HG12 VAL A 38 13.084 -0.645 2.898 1.00 0.00 H new ATOM 0 HG13 VAL A 38 12.932 1.072 3.339 1.00 0.00 H new ATOM 0 HG21 VAL A 38 13.611 2.151 0.530 1.00 0.00 H new ATOM 0 HG22 VAL A 38 14.316 2.800 2.030 1.00 0.00 H new ATOM 0 HG23 VAL A 38 15.379 2.223 0.724 1.00 0.00 H new ATOM 513 N LEU A 39 14.770 -1.314 4.238 1.00 0.00 N ATOM 514 CA LEU A 39 14.731 -2.677 4.757 1.00 0.00 C ATOM 515 C LEU A 39 13.385 -3.332 4.466 1.00 0.00 C ATOM 516 O LEU A 39 13.312 -4.336 3.756 1.00 0.00 O ATOM 517 CB LEU A 39 14.997 -2.678 6.263 1.00 0.00 C ATOM 518 CG LEU A 39 16.290 -2.001 6.717 1.00 0.00 C ATOM 519 CD1 LEU A 39 16.305 -1.837 8.229 1.00 0.00 C ATOM 520 CD2 LEU A 39 17.501 -2.797 6.253 1.00 0.00 C ATOM 0 H LEU A 39 14.077 -0.687 4.647 1.00 0.00 H new ATOM 0 HA LEU A 39 15.510 -3.253 4.257 1.00 0.00 H new ATOM 0 HB2 LEU A 39 14.160 -2.187 6.760 1.00 0.00 H new ATOM 0 HB3 LEU A 39 15.011 -3.712 6.608 1.00 0.00 H new ATOM 0 HG LEU A 39 16.336 -1.011 6.264 1.00 0.00 H new ATOM 0 HD11 LEU A 39 17.233 -1.353 8.533 1.00 0.00 H new ATOM 0 HD12 LEU A 39 15.458 -1.224 8.537 1.00 0.00 H new ATOM 0 HD13 LEU A 39 16.234 -2.817 8.702 1.00 0.00 H new ATOM 0 HD21 LEU A 39 18.412 -2.300 6.585 1.00 0.00 H new ATOM 0 HD22 LEU A 39 17.460 -3.801 6.676 1.00 0.00 H new ATOM 0 HD23 LEU A 39 17.499 -2.861 5.165 1.00 0.00 H new ATOM 532 N ASP A 40 12.322 -2.757 5.017 1.00 0.00 N ATOM 533 CA ASP A 40 10.977 -3.283 4.814 1.00 0.00 C ATOM 534 C ASP A 40 9.990 -2.156 4.528 1.00 0.00 C ATOM 535 O ASP A 40 10.365 -0.984 4.487 1.00 0.00 O ATOM 536 CB ASP A 40 10.525 -4.074 6.042 1.00 0.00 C ATOM 537 CG ASP A 40 11.653 -4.874 6.664 1.00 0.00 C ATOM 538 OD1 ASP A 40 12.372 -4.319 7.521 1.00 0.00 O ATOM 539 OD2 ASP A 40 11.817 -6.055 6.293 1.00 0.00 O ATOM 0 H ASP A 40 12.365 -1.927 5.608 1.00 0.00 H new ATOM 0 HA ASP A 40 11.000 -3.949 3.951 1.00 0.00 H new ATOM 0 HB2 ASP A 40 10.119 -3.386 6.784 1.00 0.00 H new ATOM 0 HB3 ASP A 40 9.718 -4.750 5.758 1.00 0.00 H new ATOM 544 N TYR A 41 8.727 -2.518 4.329 1.00 0.00 N ATOM 545 CA TYR A 41 7.687 -1.537 4.043 1.00 0.00 C ATOM 546 C TYR A 41 6.403 -1.869 4.799 1.00 0.00 C ATOM 547 O TYR A 41 6.285 -2.934 5.404 1.00 0.00 O ATOM 548 CB TYR A 41 7.408 -1.483 2.540 1.00 0.00 C ATOM 549 CG TYR A 41 8.630 -1.169 1.708 1.00 0.00 C ATOM 550 CD1 TYR A 41 9.557 -2.158 1.399 1.00 0.00 C ATOM 551 CD2 TYR A 41 8.860 0.116 1.232 1.00 0.00 C ATOM 552 CE1 TYR A 41 10.676 -1.876 0.640 1.00 0.00 C ATOM 553 CE2 TYR A 41 9.976 0.407 0.471 1.00 0.00 C ATOM 554 CZ TYR A 41 10.881 -0.592 0.178 1.00 0.00 C ATOM 555 OH TYR A 41 11.994 -0.306 -0.579 1.00 0.00 O ATOM 0 H TYR A 41 8.399 -3.483 4.361 1.00 0.00 H new ATOM 0 HA TYR A 41 8.041 -0.561 4.375 1.00 0.00 H new ATOM 0 HB2 TYR A 41 6.998 -2.441 2.221 1.00 0.00 H new ATOM 0 HB3 TYR A 41 6.644 -0.729 2.348 1.00 0.00 H new ATOM 0 HD1 TYR A 41 9.399 -3.164 1.759 1.00 0.00 H new ATOM 0 HD2 TYR A 41 8.154 0.901 1.461 1.00 0.00 H new ATOM 0 HE1 TYR A 41 11.386 -2.656 0.409 1.00 0.00 H new ATOM 0 HE2 TYR A 41 10.139 1.411 0.108 1.00 0.00 H new ATOM 0 HH TYR A 41 11.723 -0.127 -1.504 1.00 0.00 H new ATOM 565 N GLU A 42 5.445 -0.948 4.757 1.00 0.00 N ATOM 566 CA GLU A 42 4.170 -1.142 5.438 1.00 0.00 C ATOM 567 C GLU A 42 3.008 -0.711 4.548 1.00 0.00 C ATOM 568 O GLU A 42 2.819 0.477 4.286 1.00 0.00 O ATOM 569 CB GLU A 42 4.142 -0.355 6.749 1.00 0.00 C ATOM 570 CG GLU A 42 3.066 -0.821 7.715 1.00 0.00 C ATOM 571 CD GLU A 42 1.669 -0.455 7.252 1.00 0.00 C ATOM 572 OE1 GLU A 42 1.317 0.742 7.312 1.00 0.00 O ATOM 573 OE2 GLU A 42 0.927 -1.367 6.830 1.00 0.00 O ATOM 0 H GLU A 42 5.527 -0.061 4.259 1.00 0.00 H new ATOM 0 HA GLU A 42 4.062 -2.204 5.658 1.00 0.00 H new ATOM 0 HB2 GLU A 42 5.115 -0.438 7.234 1.00 0.00 H new ATOM 0 HB3 GLU A 42 3.986 0.701 6.526 1.00 0.00 H new ATOM 0 HG2 GLU A 42 3.134 -1.902 7.834 1.00 0.00 H new ATOM 0 HG3 GLU A 42 3.247 -0.380 8.695 1.00 0.00 H new ATOM 580 N VAL A 43 2.231 -1.686 4.086 1.00 0.00 N ATOM 581 CA VAL A 43 1.086 -1.409 3.227 1.00 0.00 C ATOM 582 C VAL A 43 -0.168 -1.142 4.051 1.00 0.00 C ATOM 583 O VAL A 43 -0.756 -2.060 4.624 1.00 0.00 O ATOM 584 CB VAL A 43 0.814 -2.578 2.261 1.00 0.00 C ATOM 585 CG1 VAL A 43 -0.426 -2.301 1.424 1.00 0.00 C ATOM 586 CG2 VAL A 43 2.022 -2.826 1.372 1.00 0.00 C ATOM 0 H VAL A 43 2.374 -2.675 4.292 1.00 0.00 H new ATOM 0 HA VAL A 43 1.332 -0.519 2.648 1.00 0.00 H new ATOM 0 HB VAL A 43 0.633 -3.478 2.849 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -0.603 -3.137 0.748 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -1.288 -2.177 2.080 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -0.277 -1.390 0.844 1.00 0.00 H new ATOM 0 HG21 VAL A 43 1.812 -3.655 0.696 1.00 0.00 H new ATOM 0 HG22 VAL A 43 2.236 -1.929 0.791 1.00 0.00 H new ATOM 0 HG23 VAL A 43 2.885 -3.072 1.991 1.00 0.00 H new ATOM 596 N LYS A 44 -0.575 0.122 4.107 1.00 0.00 N ATOM 597 CA LYS A 44 -1.761 0.512 4.859 1.00 0.00 C ATOM 598 C LYS A 44 -2.917 0.843 3.920 1.00 0.00 C ATOM 599 O LYS A 44 -2.750 1.586 2.953 1.00 0.00 O ATOM 600 CB LYS A 44 -1.452 1.718 5.749 1.00 0.00 C ATOM 601 CG LYS A 44 -2.689 2.478 6.195 1.00 0.00 C ATOM 602 CD LYS A 44 -2.476 3.151 7.541 1.00 0.00 C ATOM 603 CE LYS A 44 -3.451 4.298 7.751 1.00 0.00 C ATOM 604 NZ LYS A 44 -2.927 5.580 7.203 1.00 0.00 N ATOM 0 H LYS A 44 -0.100 0.894 3.640 1.00 0.00 H new ATOM 0 HA LYS A 44 -2.055 -0.329 5.486 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -0.907 1.379 6.630 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -0.793 2.398 5.209 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -2.944 3.230 5.448 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -3.534 1.793 6.260 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -2.598 2.418 8.339 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -1.454 3.525 7.604 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -4.401 4.060 7.272 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -3.652 4.414 8.816 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -3.621 6.337 7.366 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -2.034 5.821 7.678 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -2.760 5.478 6.182 1.00 0.00 H new ATOM 618 N TYR A 45 -4.088 0.287 4.212 1.00 0.00 N ATOM 619 CA TYR A 45 -5.271 0.523 3.393 1.00 0.00 C ATOM 620 C TYR A 45 -6.534 0.520 4.247 1.00 0.00 C ATOM 621 O TYR A 45 -6.611 -0.175 5.262 1.00 0.00 O ATOM 622 CB TYR A 45 -5.379 -0.541 2.299 1.00 0.00 C ATOM 623 CG TYR A 45 -5.569 -1.942 2.833 1.00 0.00 C ATOM 624 CD1 TYR A 45 -4.513 -2.635 3.413 1.00 0.00 C ATOM 625 CD2 TYR A 45 -6.805 -2.574 2.759 1.00 0.00 C ATOM 626 CE1 TYR A 45 -4.682 -3.916 3.902 1.00 0.00 C ATOM 627 CE2 TYR A 45 -6.983 -3.854 3.247 1.00 0.00 C ATOM 628 CZ TYR A 45 -5.919 -4.521 3.817 1.00 0.00 C ATOM 629 OH TYR A 45 -6.092 -5.796 4.304 1.00 0.00 O ATOM 0 H TYR A 45 -4.243 -0.330 5.009 1.00 0.00 H new ATOM 0 HA TYR A 45 -5.171 1.504 2.929 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -6.215 -0.294 1.645 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -4.477 -0.514 1.687 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -3.544 -2.164 3.483 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -7.640 -2.055 2.312 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -3.850 -4.441 4.348 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -7.950 -4.330 3.182 1.00 0.00 H new ATOM 0 HH TYR A 45 -7.022 -6.075 4.168 1.00 0.00 H new ATOM 639 N HIS A 46 -7.525 1.302 3.830 1.00 0.00 N ATOM 640 CA HIS A 46 -8.787 1.389 4.555 1.00 0.00 C ATOM 641 C HIS A 46 -9.885 1.969 3.668 1.00 0.00 C ATOM 642 O HIS A 46 -9.678 2.972 2.985 1.00 0.00 O ATOM 643 CB HIS A 46 -8.621 2.249 5.809 1.00 0.00 C ATOM 644 CG HIS A 46 -8.709 3.720 5.541 1.00 0.00 C ATOM 645 ND1 HIS A 46 -9.907 4.396 5.437 1.00 0.00 N ATOM 646 CD2 HIS A 46 -7.739 4.647 5.359 1.00 0.00 C ATOM 647 CE1 HIS A 46 -9.670 5.674 5.200 1.00 0.00 C ATOM 648 NE2 HIS A 46 -8.362 5.853 5.149 1.00 0.00 N ATOM 0 H HIS A 46 -7.478 1.884 2.994 1.00 0.00 H new ATOM 0 HA HIS A 46 -9.078 0.381 4.850 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -9.388 1.973 6.533 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -7.657 2.028 6.266 1.00 0.00 H new ATOM 0 HD1 HIS A 46 -10.831 3.975 5.529 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -6.674 4.471 5.376 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -10.418 6.442 5.070 1.00 0.00 H new ATOM 657 N GLU A 47 -11.051 1.331 3.683 1.00 0.00 N ATOM 658 CA GLU A 47 -12.179 1.784 2.878 1.00 0.00 C ATOM 659 C GLU A 47 -12.349 3.297 2.982 1.00 0.00 C ATOM 660 O GLU A 47 -12.536 3.839 4.071 1.00 0.00 O ATOM 661 CB GLU A 47 -13.465 1.083 3.323 1.00 0.00 C ATOM 662 CG GLU A 47 -14.486 0.922 2.210 1.00 0.00 C ATOM 663 CD GLU A 47 -15.821 0.409 2.713 1.00 0.00 C ATOM 664 OE1 GLU A 47 -15.836 -0.634 3.400 1.00 0.00 O ATOM 665 OE2 GLU A 47 -16.852 1.051 2.420 1.00 0.00 O ATOM 0 H GLU A 47 -11.239 0.500 4.243 1.00 0.00 H new ATOM 0 HA GLU A 47 -11.976 1.530 1.838 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -13.214 0.099 3.720 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -13.915 1.650 4.138 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -14.633 1.882 1.715 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -14.095 0.234 1.461 1.00 0.00 H new ATOM 672 N LYS A 48 -12.282 3.973 1.840 1.00 0.00 N ATOM 673 CA LYS A 48 -12.429 5.423 1.799 1.00 0.00 C ATOM 674 C LYS A 48 -13.669 5.866 2.570 1.00 0.00 C ATOM 675 O LYS A 48 -14.770 5.375 2.328 1.00 0.00 O ATOM 676 CB LYS A 48 -12.516 5.907 0.350 1.00 0.00 C ATOM 677 CG LYS A 48 -11.998 7.321 0.149 1.00 0.00 C ATOM 678 CD LYS A 48 -11.989 7.708 -1.320 1.00 0.00 C ATOM 679 CE LYS A 48 -11.357 9.075 -1.533 1.00 0.00 C ATOM 680 NZ LYS A 48 -12.256 10.176 -1.087 1.00 0.00 N ATOM 0 H LYS A 48 -12.127 3.539 0.930 1.00 0.00 H new ATOM 0 HA LYS A 48 -11.552 5.866 2.271 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -11.949 5.227 -0.286 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -13.554 5.859 0.021 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -12.621 8.020 0.707 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -10.989 7.401 0.553 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -11.440 6.959 -1.891 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -13.010 7.715 -1.702 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -10.416 9.130 -0.985 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -11.119 9.205 -2.589 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -11.790 11.092 -1.248 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -13.144 10.139 -1.627 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -12.463 10.067 -0.074 1.00 0.00 H new ATOM 769 N VAL A 56 -9.064 0.565 9.298 1.00 0.00 N ATOM 770 CA VAL A 56 -7.791 0.535 8.588 1.00 0.00 C ATOM 771 C VAL A 56 -6.948 -0.658 9.024 1.00 0.00 C ATOM 772 O VAL A 56 -6.710 -0.862 10.214 1.00 0.00 O ATOM 773 CB VAL A 56 -6.989 1.829 8.819 1.00 0.00 C ATOM 774 CG1 VAL A 56 -6.690 2.015 10.299 1.00 0.00 C ATOM 775 CG2 VAL A 56 -5.703 1.810 8.005 1.00 0.00 C ATOM 0 HA VAL A 56 -8.022 0.445 7.527 1.00 0.00 H new ATOM 0 HB VAL A 56 -7.591 2.674 8.486 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -6.123 2.935 10.443 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -7.626 2.075 10.854 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -6.107 1.168 10.662 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -5.148 2.732 8.180 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -5.094 0.957 8.306 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -5.944 1.727 6.945 1.00 0.00 H new ATOM 785 N ARG A 57 -6.498 -1.444 8.051 1.00 0.00 N ATOM 786 CA ARG A 57 -5.680 -2.618 8.334 1.00 0.00 C ATOM 787 C ARG A 57 -4.197 -2.299 8.172 1.00 0.00 C ATOM 788 O ARG A 57 -3.821 -1.153 7.927 1.00 0.00 O ATOM 789 CB ARG A 57 -6.069 -3.772 7.407 1.00 0.00 C ATOM 790 CG ARG A 57 -7.393 -4.424 7.770 1.00 0.00 C ATOM 791 CD ARG A 57 -8.568 -3.676 7.161 1.00 0.00 C ATOM 792 NE ARG A 57 -9.837 -4.357 7.405 1.00 0.00 N ATOM 793 CZ ARG A 57 -11.015 -3.873 7.029 1.00 0.00 C ATOM 794 NH1 ARG A 57 -11.087 -2.711 6.395 1.00 0.00 N ATOM 795 NH2 ARG A 57 -12.126 -4.553 7.287 1.00 0.00 N ATOM 0 H ARG A 57 -6.686 -1.289 7.060 1.00 0.00 H new ATOM 0 HA ARG A 57 -5.859 -2.915 9.367 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -6.124 -3.402 6.383 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -5.283 -4.527 7.431 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -7.398 -5.457 7.422 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -7.501 -4.452 8.854 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -8.611 -2.669 7.577 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -8.414 -3.571 6.087 1.00 0.00 H new ATOM 0 HE ARG A 57 -9.817 -5.254 7.891 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -10.236 -2.186 6.195 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -11.994 -2.342 6.108 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -12.075 -5.448 7.774 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -13.031 -4.181 6.998 1.00 0.00 H new ATOM 809 N PHE A 58 -3.359 -3.321 8.312 1.00 0.00 N ATOM 810 CA PHE A 58 -1.917 -3.150 8.183 1.00 0.00 C ATOM 811 C PHE A 58 -1.259 -4.433 7.682 1.00 0.00 C ATOM 812 O PHE A 58 -1.496 -5.516 8.220 1.00 0.00 O ATOM 813 CB PHE A 58 -1.308 -2.743 9.527 1.00 0.00 C ATOM 814 CG PHE A 58 -1.373 -1.266 9.791 1.00 0.00 C ATOM 815 CD1 PHE A 58 -2.578 -0.657 10.101 1.00 0.00 C ATOM 816 CD2 PHE A 58 -0.229 -0.487 9.731 1.00 0.00 C ATOM 817 CE1 PHE A 58 -2.641 0.703 10.343 1.00 0.00 C ATOM 818 CE2 PHE A 58 -0.285 0.873 9.973 1.00 0.00 C ATOM 819 CZ PHE A 58 -1.492 1.468 10.281 1.00 0.00 C ATOM 0 H PHE A 58 -3.654 -4.276 8.515 1.00 0.00 H new ATOM 0 HA PHE A 58 -1.734 -2.360 7.454 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -1.828 -3.270 10.327 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -0.267 -3.064 9.557 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -3.478 -1.251 10.154 1.00 0.00 H new ATOM 0 HD2 PHE A 58 0.718 -0.948 9.492 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -3.587 1.167 10.580 1.00 0.00 H new ATOM 0 HE2 PHE A 58 0.614 1.469 9.921 1.00 0.00 H new ATOM 0 HZ PHE A 58 -1.538 2.530 10.473 1.00 0.00 H new ATOM 829 N LEU A 59 -0.434 -4.304 6.650 1.00 0.00 N ATOM 830 CA LEU A 59 0.258 -5.452 6.074 1.00 0.00 C ATOM 831 C LEU A 59 1.767 -5.232 6.069 1.00 0.00 C ATOM 832 O LEU A 59 2.274 -4.347 5.380 1.00 0.00 O ATOM 833 CB LEU A 59 -0.236 -5.709 4.650 1.00 0.00 C ATOM 834 CG LEU A 59 0.607 -6.669 3.810 1.00 0.00 C ATOM 835 CD1 LEU A 59 0.152 -8.105 4.022 1.00 0.00 C ATOM 836 CD2 LEU A 59 0.531 -6.296 2.336 1.00 0.00 C ATOM 0 H LEU A 59 -0.227 -3.415 6.194 1.00 0.00 H new ATOM 0 HA LEU A 59 0.039 -6.324 6.691 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -1.251 -6.101 4.704 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -0.291 -4.754 4.128 1.00 0.00 H new ATOM 0 HG LEU A 59 1.645 -6.587 4.132 1.00 0.00 H new ATOM 0 HD11 LEU A 59 0.763 -8.774 3.416 1.00 0.00 H new ATOM 0 HD12 LEU A 59 0.259 -8.369 5.074 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -0.893 -8.203 3.728 1.00 0.00 H new ATOM 0 HD21 LEU A 59 1.137 -6.990 1.753 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -0.505 -6.349 2.000 1.00 0.00 H new ATOM 0 HD23 LEU A 59 0.906 -5.282 2.197 1.00 0.00 H new ATOM 848 N LYS A 60 2.481 -6.044 6.842 1.00 0.00 N ATOM 849 CA LYS A 60 3.933 -5.941 6.925 1.00 0.00 C ATOM 850 C LYS A 60 4.601 -6.812 5.865 1.00 0.00 C ATOM 851 O LYS A 60 4.354 -8.016 5.789 1.00 0.00 O ATOM 852 CB LYS A 60 4.415 -6.354 8.317 1.00 0.00 C ATOM 853 CG LYS A 60 4.329 -5.239 9.345 1.00 0.00 C ATOM 854 CD LYS A 60 4.223 -5.790 10.758 1.00 0.00 C ATOM 855 CE LYS A 60 4.300 -4.681 11.796 1.00 0.00 C ATOM 856 NZ LYS A 60 3.984 -5.179 13.163 1.00 0.00 N ATOM 0 H LYS A 60 2.077 -6.781 7.420 1.00 0.00 H new ATOM 0 HA LYS A 60 4.210 -4.902 6.745 1.00 0.00 H new ATOM 0 HB2 LYS A 60 3.822 -7.201 8.661 1.00 0.00 H new ATOM 0 HB3 LYS A 60 5.448 -6.695 8.248 1.00 0.00 H new ATOM 0 HG2 LYS A 60 5.210 -4.602 9.267 1.00 0.00 H new ATOM 0 HG3 LYS A 60 3.463 -4.612 9.132 1.00 0.00 H new ATOM 0 HD2 LYS A 60 3.283 -6.330 10.870 1.00 0.00 H new ATOM 0 HD3 LYS A 60 5.025 -6.508 10.931 1.00 0.00 H new ATOM 0 HE2 LYS A 60 5.300 -4.246 11.790 1.00 0.00 H new ATOM 0 HE3 LYS A 60 3.605 -3.885 11.530 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 4.047 -4.394 13.842 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 3.021 -5.571 13.176 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 4.663 -5.921 13.428 1.00 0.00 H new ATOM 870 N THR A 61 5.451 -6.196 5.049 1.00 0.00 N ATOM 871 CA THR A 61 6.155 -6.914 3.994 1.00 0.00 C ATOM 872 C THR A 61 7.643 -6.585 4.004 1.00 0.00 C ATOM 873 O THR A 61 8.054 -5.539 4.505 1.00 0.00 O ATOM 874 CB THR A 61 5.576 -6.582 2.606 1.00 0.00 C ATOM 875 OG1 THR A 61 6.580 -6.766 1.601 1.00 0.00 O ATOM 876 CG2 THR A 61 5.063 -5.151 2.561 1.00 0.00 C ATOM 0 H THR A 61 5.668 -5.201 5.099 1.00 0.00 H new ATOM 0 HA THR A 61 6.020 -7.978 4.191 1.00 0.00 H new ATOM 0 HB THR A 61 4.741 -7.256 2.414 1.00 0.00 H new ATOM 0 HG1 THR A 61 6.204 -6.555 0.721 1.00 0.00 H new ATOM 0 HG21 THR A 61 4.659 -4.940 1.571 1.00 0.00 H new ATOM 0 HG22 THR A 61 4.279 -5.022 3.308 1.00 0.00 H new ATOM 0 HG23 THR A 61 5.882 -4.464 2.772 1.00 0.00 H new ATOM 884 N SER A 62 8.447 -7.485 3.447 1.00 0.00 N ATOM 885 CA SER A 62 9.891 -7.292 3.394 1.00 0.00 C ATOM 886 C SER A 62 10.371 -7.168 1.951 1.00 0.00 C ATOM 887 O SER A 62 11.453 -7.640 1.603 1.00 0.00 O ATOM 888 CB SER A 62 10.608 -8.454 4.084 1.00 0.00 C ATOM 889 OG SER A 62 10.573 -9.622 3.283 1.00 0.00 O ATOM 0 H SER A 62 8.122 -8.355 3.026 1.00 0.00 H new ATOM 0 HA SER A 62 10.128 -6.366 3.918 1.00 0.00 H new ATOM 0 HB2 SER A 62 11.643 -8.178 4.286 1.00 0.00 H new ATOM 0 HB3 SER A 62 10.138 -8.655 5.047 1.00 0.00 H new ATOM 0 HG SER A 62 11.039 -10.350 3.745 1.00 0.00 H new ATOM 895 N GLU A 63 9.557 -6.529 1.116 1.00 0.00 N ATOM 896 CA GLU A 63 9.897 -6.344 -0.289 1.00 0.00 C ATOM 897 C GLU A 63 9.237 -5.087 -0.848 1.00 0.00 C ATOM 898 O GLU A 63 8.552 -4.361 -0.129 1.00 0.00 O ATOM 899 CB GLU A 63 9.468 -7.565 -1.106 1.00 0.00 C ATOM 900 CG GLU A 63 10.088 -8.866 -0.627 1.00 0.00 C ATOM 901 CD GLU A 63 11.592 -8.902 -0.819 1.00 0.00 C ATOM 902 OE1 GLU A 63 12.091 -8.206 -1.728 1.00 0.00 O ATOM 903 OE2 GLU A 63 12.269 -9.626 -0.060 1.00 0.00 O ATOM 0 H GLU A 63 8.658 -6.131 1.389 1.00 0.00 H new ATOM 0 HA GLU A 63 10.978 -6.229 -0.362 1.00 0.00 H new ATOM 0 HB2 GLU A 63 8.382 -7.654 -1.068 1.00 0.00 H new ATOM 0 HB3 GLU A 63 9.738 -7.406 -2.150 1.00 0.00 H new ATOM 0 HG2 GLU A 63 9.857 -9.007 0.429 1.00 0.00 H new ATOM 0 HG3 GLU A 63 9.637 -9.699 -1.166 1.00 0.00 H new ATOM 910 N ASN A 64 9.449 -4.836 -2.136 1.00 0.00 N ATOM 911 CA ASN A 64 8.876 -3.666 -2.792 1.00 0.00 C ATOM 912 C ASN A 64 7.583 -4.028 -3.516 1.00 0.00 C ATOM 913 O ASN A 64 7.199 -3.373 -4.485 1.00 0.00 O ATOM 914 CB ASN A 64 9.878 -3.069 -3.781 1.00 0.00 C ATOM 915 CG ASN A 64 9.815 -3.735 -5.142 1.00 0.00 C ATOM 916 OD1 ASN A 64 9.360 -4.872 -5.268 1.00 0.00 O ATOM 917 ND2 ASN A 64 10.273 -3.028 -6.169 1.00 0.00 N ATOM 0 H ASN A 64 10.013 -5.427 -2.746 1.00 0.00 H new ATOM 0 HA ASN A 64 8.647 -2.925 -2.026 1.00 0.00 H new ATOM 0 HB2 ASN A 64 9.683 -2.002 -3.892 1.00 0.00 H new ATOM 0 HB3 ASN A 64 10.886 -3.168 -3.377 1.00 0.00 H new ATOM 0 HD21 ASN A 64 10.256 -3.424 -7.109 1.00 0.00 H new ATOM 0 HD22 ASN A 64 10.641 -2.089 -6.018 1.00 0.00 H new ATOM 924 N ARG A 65 6.917 -5.074 -3.040 1.00 0.00 N ATOM 925 CA ARG A 65 5.667 -5.523 -3.642 1.00 0.00 C ATOM 926 C ARG A 65 4.788 -6.226 -2.611 1.00 0.00 C ATOM 927 O ARG A 65 5.283 -6.960 -1.756 1.00 0.00 O ATOM 928 CB ARG A 65 5.951 -6.466 -4.813 1.00 0.00 C ATOM 929 CG ARG A 65 6.452 -7.836 -4.385 1.00 0.00 C ATOM 930 CD ARG A 65 7.252 -8.507 -5.490 1.00 0.00 C ATOM 931 NE ARG A 65 7.193 -9.964 -5.401 1.00 0.00 N ATOM 932 CZ ARG A 65 6.132 -10.679 -5.757 1.00 0.00 C ATOM 933 NH1 ARG A 65 5.047 -10.076 -6.223 1.00 0.00 N ATOM 934 NH2 ARG A 65 6.155 -12.001 -5.647 1.00 0.00 N ATOM 0 H ARG A 65 7.222 -5.627 -2.239 1.00 0.00 H new ATOM 0 HA ARG A 65 5.135 -4.646 -4.010 1.00 0.00 H new ATOM 0 HB2 ARG A 65 5.040 -6.588 -5.399 1.00 0.00 H new ATOM 0 HB3 ARG A 65 6.691 -6.006 -5.467 1.00 0.00 H new ATOM 0 HG2 ARG A 65 7.073 -7.736 -3.495 1.00 0.00 H new ATOM 0 HG3 ARG A 65 5.605 -8.466 -4.114 1.00 0.00 H new ATOM 0 HD2 ARG A 65 6.870 -8.187 -6.459 1.00 0.00 H new ATOM 0 HD3 ARG A 65 8.291 -8.182 -5.434 1.00 0.00 H new ATOM 0 HE ARG A 65 8.011 -10.459 -5.046 1.00 0.00 H new ATOM 0 HH11 ARG A 65 5.025 -9.060 -6.309 1.00 0.00 H new ATOM 0 HH12 ARG A 65 4.234 -10.628 -6.496 1.00 0.00 H new ATOM 0 HH21 ARG A 65 6.988 -12.469 -5.289 1.00 0.00 H new ATOM 0 HH22 ARG A 65 5.340 -12.550 -5.921 1.00 0.00 H new ATOM 948 N ALA A 66 3.483 -5.994 -2.698 1.00 0.00 N ATOM 949 CA ALA A 66 2.535 -6.605 -1.775 1.00 0.00 C ATOM 950 C ALA A 66 1.188 -6.843 -2.448 1.00 0.00 C ATOM 951 O ALA A 66 0.652 -5.959 -3.115 1.00 0.00 O ATOM 952 CB ALA A 66 2.363 -5.731 -0.541 1.00 0.00 C ATOM 0 H ALA A 66 3.058 -5.387 -3.399 1.00 0.00 H new ATOM 0 HA ALA A 66 2.935 -7.572 -1.470 1.00 0.00 H new ATOM 0 HB1 ALA A 66 1.652 -6.199 0.140 1.00 0.00 H new ATOM 0 HB2 ALA A 66 3.324 -5.616 -0.040 1.00 0.00 H new ATOM 0 HB3 ALA A 66 1.989 -4.751 -0.838 1.00 0.00 H new ATOM 958 N GLU A 67 0.647 -8.045 -2.270 1.00 0.00 N ATOM 959 CA GLU A 67 -0.638 -8.399 -2.863 1.00 0.00 C ATOM 960 C GLU A 67 -1.722 -8.498 -1.794 1.00 0.00 C ATOM 961 O GLU A 67 -1.483 -9.004 -0.696 1.00 0.00 O ATOM 962 CB GLU A 67 -0.528 -9.725 -3.618 1.00 0.00 C ATOM 963 CG GLU A 67 -1.834 -10.177 -4.247 1.00 0.00 C ATOM 964 CD GLU A 67 -1.837 -11.654 -4.590 1.00 0.00 C ATOM 965 OE1 GLU A 67 -0.894 -12.107 -5.272 1.00 0.00 O ATOM 966 OE2 GLU A 67 -2.782 -12.357 -4.175 1.00 0.00 O ATOM 0 H GLU A 67 1.078 -8.789 -1.721 1.00 0.00 H new ATOM 0 HA GLU A 67 -0.915 -7.612 -3.564 1.00 0.00 H new ATOM 0 HB2 GLU A 67 0.227 -9.628 -4.398 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -0.179 -10.496 -2.932 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -2.655 -9.965 -3.562 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -2.017 -9.597 -5.152 1.00 0.00 H new ATOM 973 N LEU A 68 -2.913 -8.011 -2.121 1.00 0.00 N ATOM 974 CA LEU A 68 -4.035 -8.044 -1.189 1.00 0.00 C ATOM 975 C LEU A 68 -5.157 -8.932 -1.719 1.00 0.00 C ATOM 976 O LEU A 68 -5.382 -9.011 -2.926 1.00 0.00 O ATOM 977 CB LEU A 68 -4.562 -6.629 -0.945 1.00 0.00 C ATOM 978 CG LEU A 68 -3.509 -5.564 -0.640 1.00 0.00 C ATOM 979 CD1 LEU A 68 -4.017 -4.184 -1.027 1.00 0.00 C ATOM 980 CD2 LEU A 68 -3.125 -5.599 0.833 1.00 0.00 C ATOM 0 H LEU A 68 -3.127 -7.588 -3.024 1.00 0.00 H new ATOM 0 HA LEU A 68 -3.681 -8.461 -0.246 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -5.123 -6.315 -1.825 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -5.266 -6.663 -0.114 1.00 0.00 H new ATOM 0 HG LEU A 68 -2.620 -5.781 -1.232 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -3.254 -3.439 -0.802 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -4.240 -4.164 -2.094 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -4.922 -3.958 -0.463 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -2.374 -4.834 1.032 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -4.008 -5.409 1.444 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -2.718 -6.580 1.080 1.00 0.00 H new ATOM 992 N ARG A 69 -5.858 -9.597 -0.806 1.00 0.00 N ATOM 993 CA ARG A 69 -6.957 -10.479 -1.181 1.00 0.00 C ATOM 994 C ARG A 69 -8.219 -10.140 -0.393 1.00 0.00 C ATOM 995 O ARG A 69 -8.148 -9.709 0.757 1.00 0.00 O ATOM 996 CB ARG A 69 -6.571 -11.940 -0.943 1.00 0.00 C ATOM 997 CG ARG A 69 -5.210 -12.310 -1.509 1.00 0.00 C ATOM 998 CD ARG A 69 -4.096 -12.024 -0.513 1.00 0.00 C ATOM 999 NE ARG A 69 -3.980 -13.075 0.494 1.00 0.00 N ATOM 1000 CZ ARG A 69 -2.863 -13.328 1.167 1.00 0.00 C ATOM 1001 NH1 ARG A 69 -1.772 -12.610 0.941 1.00 0.00 N ATOM 1002 NH2 ARG A 69 -2.836 -14.302 2.068 1.00 0.00 N ATOM 0 H ARG A 69 -5.685 -9.542 0.198 1.00 0.00 H new ATOM 0 HA ARG A 69 -7.161 -10.333 -2.242 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -6.575 -12.138 0.129 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -7.328 -12.584 -1.390 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -5.200 -13.367 -1.774 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -5.032 -11.750 -2.427 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -3.150 -11.926 -1.045 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -4.285 -11.070 -0.021 1.00 0.00 H new ATOM 0 HE ARG A 69 -4.802 -13.646 0.691 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -1.789 -11.861 0.249 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -0.916 -12.806 1.459 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -3.673 -14.857 2.244 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -1.978 -14.496 2.584 1.00 0.00 H new ATOM 1016 N GLY A 70 -9.374 -10.339 -1.021 1.00 0.00 N ATOM 1017 CA GLY A 70 -10.635 -10.049 -0.363 1.00 0.00 C ATOM 1018 C GLY A 70 -11.019 -8.586 -0.464 1.00 0.00 C ATOM 1019 O GLY A 70 -11.042 -7.872 0.539 1.00 0.00 O ATOM 0 H GLY A 70 -9.459 -10.696 -1.973 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -11.422 -10.659 -0.807 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -10.567 -10.332 0.687 1.00 0.00 H new ATOM 1023 N LEU A 71 -11.319 -8.138 -1.678 1.00 0.00 N ATOM 1024 CA LEU A 71 -11.702 -6.749 -1.907 1.00 0.00 C ATOM 1025 C LEU A 71 -12.813 -6.655 -2.948 1.00 0.00 C ATOM 1026 O LEU A 71 -13.215 -7.659 -3.536 1.00 0.00 O ATOM 1027 CB LEU A 71 -10.491 -5.933 -2.363 1.00 0.00 C ATOM 1028 CG LEU A 71 -9.212 -6.116 -1.544 1.00 0.00 C ATOM 1029 CD1 LEU A 71 -7.991 -5.751 -2.373 1.00 0.00 C ATOM 1030 CD2 LEU A 71 -9.268 -5.278 -0.275 1.00 0.00 C ATOM 0 H LEU A 71 -11.305 -8.716 -2.518 1.00 0.00 H new ATOM 0 HA LEU A 71 -12.074 -6.341 -0.967 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -10.275 -6.190 -3.400 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -10.762 -4.877 -2.346 1.00 0.00 H new ATOM 0 HG LEU A 71 -9.132 -7.165 -1.260 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -7.091 -5.887 -1.774 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -7.943 -6.394 -3.252 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -8.063 -4.710 -2.688 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -8.350 -5.420 0.296 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -9.372 -4.225 -0.538 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -10.122 -5.587 0.328 1.00 0.00 H new ATOM 1042 N LYS A 72 -13.305 -5.441 -3.173 1.00 0.00 N ATOM 1043 CA LYS A 72 -14.367 -5.214 -4.146 1.00 0.00 C ATOM 1044 C LYS A 72 -13.874 -4.343 -5.297 1.00 0.00 C ATOM 1045 O LYS A 72 -13.597 -3.157 -5.116 1.00 0.00 O ATOM 1046 CB LYS A 72 -15.571 -4.552 -3.471 1.00 0.00 C ATOM 1047 CG LYS A 72 -16.148 -5.364 -2.324 1.00 0.00 C ATOM 1048 CD LYS A 72 -15.470 -5.027 -1.007 1.00 0.00 C ATOM 1049 CE LYS A 72 -16.283 -5.520 0.180 1.00 0.00 C ATOM 1050 NZ LYS A 72 -16.070 -4.675 1.388 1.00 0.00 N ATOM 0 H LYS A 72 -12.985 -4.599 -2.694 1.00 0.00 H new ATOM 0 HA LYS A 72 -14.669 -6.181 -4.549 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -15.274 -3.572 -3.098 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -16.349 -4.387 -4.216 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -17.218 -5.172 -2.243 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -16.030 -6.427 -2.534 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -14.478 -5.477 -0.982 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -15.333 -3.948 -0.933 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -17.341 -5.521 -0.080 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -16.009 -6.551 0.405 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -16.641 -5.044 2.175 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -15.064 -4.694 1.652 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -16.355 -3.696 1.182 1.00 0.00 H new ATOM 1064 N ARG A 73 -13.768 -4.938 -6.480 1.00 0.00 N ATOM 1065 CA ARG A 73 -13.308 -4.216 -7.660 1.00 0.00 C ATOM 1066 C ARG A 73 -14.236 -3.047 -7.977 1.00 0.00 C ATOM 1067 O ARG A 73 -15.189 -3.187 -8.741 1.00 0.00 O ATOM 1068 CB ARG A 73 -13.230 -5.159 -8.863 1.00 0.00 C ATOM 1069 CG ARG A 73 -13.006 -4.443 -10.184 1.00 0.00 C ATOM 1070 CD ARG A 73 -12.678 -5.423 -11.300 1.00 0.00 C ATOM 1071 NE ARG A 73 -13.833 -6.234 -11.673 1.00 0.00 N ATOM 1072 CZ ARG A 73 -13.942 -6.867 -12.836 1.00 0.00 C ATOM 1073 NH1 ARG A 73 -12.971 -6.783 -13.734 1.00 0.00 N ATOM 1074 NH2 ARG A 73 -15.025 -7.586 -13.102 1.00 0.00 N ATOM 0 H ARG A 73 -13.994 -5.918 -6.647 1.00 0.00 H new ATOM 0 HA ARG A 73 -12.313 -3.823 -7.450 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -12.420 -5.871 -8.704 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -14.154 -5.734 -8.923 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -13.898 -3.875 -10.447 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -12.192 -3.726 -10.077 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -12.324 -4.874 -12.172 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -11.865 -6.075 -10.982 1.00 0.00 H new ATOM 0 HE ARG A 73 -14.598 -6.319 -11.004 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -12.137 -6.231 -13.533 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -13.058 -7.270 -14.626 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -15.775 -7.653 -12.413 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -15.108 -8.072 -13.995 1.00 0.00 H new ATOM 1088 N GLY A 74 -13.948 -1.892 -7.384 1.00 0.00 N ATOM 1089 CA GLY A 74 -14.765 -0.715 -7.615 1.00 0.00 C ATOM 1090 C GLY A 74 -14.780 0.223 -6.424 1.00 0.00 C ATOM 1091 O GLY A 74 -14.471 1.407 -6.555 1.00 0.00 O ATOM 0 H GLY A 74 -13.163 -1.751 -6.748 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -14.390 -0.182 -8.489 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -15.785 -1.024 -7.843 1.00 0.00 H new ATOM 1095 N ALA A 75 -15.142 -0.306 -5.260 1.00 0.00 N ATOM 1096 CA ALA A 75 -15.196 0.492 -4.042 1.00 0.00 C ATOM 1097 C ALA A 75 -13.912 1.293 -3.853 1.00 0.00 C ATOM 1098 O ALA A 75 -12.825 0.833 -4.202 1.00 0.00 O ATOM 1099 CB ALA A 75 -15.444 -0.401 -2.836 1.00 0.00 C ATOM 0 H ALA A 75 -15.402 -1.284 -5.135 1.00 0.00 H new ATOM 0 HA ALA A 75 -16.023 1.196 -4.135 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -15.482 0.209 -1.933 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -16.392 -0.925 -2.960 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -14.636 -1.128 -2.749 1.00 0.00 H new ATOM 1105 N SER A 76 -14.045 2.495 -3.300 1.00 0.00 N ATOM 1106 CA SER A 76 -12.895 3.362 -3.070 1.00 0.00 C ATOM 1107 C SER A 76 -11.930 2.730 -2.072 1.00 0.00 C ATOM 1108 O SER A 76 -12.343 2.213 -1.034 1.00 0.00 O ATOM 1109 CB SER A 76 -13.355 4.728 -2.558 1.00 0.00 C ATOM 1110 OG SER A 76 -14.153 5.392 -3.522 1.00 0.00 O ATOM 0 H SER A 76 -14.937 2.890 -3.003 1.00 0.00 H new ATOM 0 HA SER A 76 -12.374 3.494 -4.018 1.00 0.00 H new ATOM 0 HB2 SER A 76 -13.923 4.602 -1.636 1.00 0.00 H new ATOM 0 HB3 SER A 76 -12.486 5.341 -2.316 1.00 0.00 H new ATOM 0 HG SER A 76 -14.436 6.262 -3.170 1.00 0.00 H new ATOM 1116 N TYR A 77 -10.642 2.777 -2.393 1.00 0.00 N ATOM 1117 CA TYR A 77 -9.617 2.207 -1.527 1.00 0.00 C ATOM 1118 C TYR A 77 -8.366 3.081 -1.516 1.00 0.00 C ATOM 1119 O TYR A 77 -7.703 3.250 -2.539 1.00 0.00 O ATOM 1120 CB TYR A 77 -9.259 0.793 -1.986 1.00 0.00 C ATOM 1121 CG TYR A 77 -10.154 -0.278 -1.402 1.00 0.00 C ATOM 1122 CD1 TYR A 77 -10.078 -0.615 -0.056 1.00 0.00 C ATOM 1123 CD2 TYR A 77 -11.073 -0.952 -2.196 1.00 0.00 C ATOM 1124 CE1 TYR A 77 -10.893 -1.592 0.482 1.00 0.00 C ATOM 1125 CE2 TYR A 77 -11.892 -1.930 -1.667 1.00 0.00 C ATOM 1126 CZ TYR A 77 -11.798 -2.247 -0.327 1.00 0.00 C ATOM 1127 OH TYR A 77 -12.612 -3.221 0.204 1.00 0.00 O ATOM 0 H TYR A 77 -10.283 3.204 -3.247 1.00 0.00 H new ATOM 0 HA TYR A 77 -10.018 2.163 -0.514 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -9.315 0.748 -3.074 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -8.226 0.581 -1.711 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -9.370 -0.105 0.580 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -11.148 -0.707 -3.245 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -10.822 -1.842 1.530 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -12.602 -2.444 -2.298 1.00 0.00 H new ATOM 0 HH TYR A 77 -13.191 -3.582 -0.499 1.00 0.00 H new ATOM 1137 N LEU A 78 -8.051 3.635 -0.350 1.00 0.00 N ATOM 1138 CA LEU A 78 -6.879 4.492 -0.202 1.00 0.00 C ATOM 1139 C LEU A 78 -5.662 3.681 0.230 1.00 0.00 C ATOM 1140 O LEU A 78 -5.498 3.369 1.410 1.00 0.00 O ATOM 1141 CB LEU A 78 -7.158 5.598 0.817 1.00 0.00 C ATOM 1142 CG LEU A 78 -8.243 6.606 0.434 1.00 0.00 C ATOM 1143 CD1 LEU A 78 -8.621 7.463 1.632 1.00 0.00 C ATOM 1144 CD2 LEU A 78 -7.777 7.478 -0.722 1.00 0.00 C ATOM 0 H LEU A 78 -8.590 3.506 0.506 1.00 0.00 H new ATOM 0 HA LEU A 78 -6.665 4.944 -1.170 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -7.440 5.132 1.761 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -6.231 6.143 0.995 1.00 0.00 H new ATOM 0 HG LEU A 78 -9.127 6.055 0.113 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -9.394 8.174 1.341 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -8.997 6.825 2.432 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -7.743 8.005 1.983 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -8.562 8.189 -0.981 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -6.878 8.020 -0.429 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -7.557 6.850 -1.586 1.00 0.00 H new ATOM 1156 N VAL A 79 -4.810 3.344 -0.732 1.00 0.00 N ATOM 1157 CA VAL A 79 -3.605 2.572 -0.451 1.00 0.00 C ATOM 1158 C VAL A 79 -2.421 3.487 -0.162 1.00 0.00 C ATOM 1159 O VAL A 79 -2.169 4.442 -0.897 1.00 0.00 O ATOM 1160 CB VAL A 79 -3.247 1.642 -1.625 1.00 0.00 C ATOM 1161 CG1 VAL A 79 -2.036 0.789 -1.281 1.00 0.00 C ATOM 1162 CG2 VAL A 79 -4.437 0.769 -1.994 1.00 0.00 C ATOM 0 H VAL A 79 -4.932 3.593 -1.714 1.00 0.00 H new ATOM 0 HA VAL A 79 -3.816 1.966 0.430 1.00 0.00 H new ATOM 0 HB VAL A 79 -2.994 2.257 -2.489 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -1.798 0.138 -2.123 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -1.184 1.435 -1.070 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -2.257 0.181 -0.404 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -4.167 0.118 -2.825 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -4.723 0.161 -1.135 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -5.275 1.401 -2.286 1.00 0.00 H new ATOM 1172 N GLN A 80 -1.697 3.189 0.912 1.00 0.00 N ATOM 1173 CA GLN A 80 -0.538 3.986 1.297 1.00 0.00 C ATOM 1174 C GLN A 80 0.612 3.091 1.748 1.00 0.00 C ATOM 1175 O GLN A 80 0.472 2.308 2.687 1.00 0.00 O ATOM 1176 CB GLN A 80 -0.912 4.959 2.417 1.00 0.00 C ATOM 1177 CG GLN A 80 -1.646 6.197 1.927 1.00 0.00 C ATOM 1178 CD GLN A 80 -1.679 7.303 2.963 1.00 0.00 C ATOM 1179 OE1 GLN A 80 -0.948 7.266 3.952 1.00 0.00 O ATOM 1180 NE2 GLN A 80 -2.532 8.297 2.740 1.00 0.00 N ATOM 0 H GLN A 80 -1.892 2.402 1.531 1.00 0.00 H new ATOM 0 HA GLN A 80 -0.212 4.554 0.425 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -1.537 4.440 3.144 1.00 0.00 H new ATOM 0 HB3 GLN A 80 -0.005 5.267 2.938 1.00 0.00 H new ATOM 0 HG2 GLN A 80 -1.164 6.566 1.022 1.00 0.00 H new ATOM 0 HG3 GLN A 80 -2.667 5.927 1.657 1.00 0.00 H new ATOM 0 HE21 GLN A 80 -3.120 8.287 1.906 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -2.599 9.070 3.402 1.00 0.00 H new ATOM 1189 N VAL A 81 1.750 3.213 1.071 1.00 0.00 N ATOM 1190 CA VAL A 81 2.925 2.416 1.402 1.00 0.00 C ATOM 1191 C VAL A 81 4.063 3.298 1.905 1.00 0.00 C ATOM 1192 O VAL A 81 4.390 4.315 1.294 1.00 0.00 O ATOM 1193 CB VAL A 81 3.416 1.608 0.187 1.00 0.00 C ATOM 1194 CG1 VAL A 81 4.535 0.661 0.592 1.00 0.00 C ATOM 1195 CG2 VAL A 81 2.262 0.844 -0.445 1.00 0.00 C ATOM 0 H VAL A 81 1.883 3.856 0.290 1.00 0.00 H new ATOM 0 HA VAL A 81 2.627 1.726 2.191 1.00 0.00 H new ATOM 0 HB VAL A 81 3.812 2.303 -0.554 1.00 0.00 H new ATOM 0 HG11 VAL A 81 4.869 0.099 -0.280 1.00 0.00 H new ATOM 0 HG12 VAL A 81 5.369 1.235 0.995 1.00 0.00 H new ATOM 0 HG13 VAL A 81 4.170 -0.030 1.352 1.00 0.00 H new ATOM 0 HG21 VAL A 81 2.626 0.278 -1.302 1.00 0.00 H new ATOM 0 HG22 VAL A 81 1.835 0.159 0.287 1.00 0.00 H new ATOM 0 HG23 VAL A 81 1.497 1.547 -0.773 1.00 0.00 H new ATOM 1205 N ARG A 82 4.662 2.900 3.023 1.00 0.00 N ATOM 1206 CA ARG A 82 5.764 3.655 3.609 1.00 0.00 C ATOM 1207 C ARG A 82 7.004 2.779 3.758 1.00 0.00 C ATOM 1208 O ARG A 82 6.902 1.563 3.920 1.00 0.00 O ATOM 1209 CB ARG A 82 5.356 4.218 4.972 1.00 0.00 C ATOM 1210 CG ARG A 82 5.227 3.158 6.054 1.00 0.00 C ATOM 1211 CD ARG A 82 5.111 3.784 7.435 1.00 0.00 C ATOM 1212 NE ARG A 82 4.722 2.807 8.448 1.00 0.00 N ATOM 1213 CZ ARG A 82 4.709 3.064 9.751 1.00 0.00 C ATOM 1214 NH1 ARG A 82 5.060 4.262 10.197 1.00 0.00 N ATOM 1215 NH2 ARG A 82 4.343 2.122 10.611 1.00 0.00 N ATOM 0 H ARG A 82 4.403 2.060 3.541 1.00 0.00 H new ATOM 0 HA ARG A 82 6.003 4.481 2.939 1.00 0.00 H new ATOM 0 HB2 ARG A 82 6.093 4.958 5.286 1.00 0.00 H new ATOM 0 HB3 ARG A 82 4.404 4.739 4.870 1.00 0.00 H new ATOM 0 HG2 ARG A 82 4.350 2.541 5.858 1.00 0.00 H new ATOM 0 HG3 ARG A 82 6.094 2.498 6.024 1.00 0.00 H new ATOM 0 HD2 ARG A 82 6.066 4.232 7.711 1.00 0.00 H new ATOM 0 HD3 ARG A 82 4.377 4.589 7.407 1.00 0.00 H new ATOM 0 HE ARG A 82 4.445 1.876 8.138 1.00 0.00 H new ATOM 0 HH11 ARG A 82 5.341 4.989 9.539 1.00 0.00 H new ATOM 0 HH12 ARG A 82 5.049 4.457 11.198 1.00 0.00 H new ATOM 0 HH21 ARG A 82 4.071 1.199 10.272 1.00 0.00 H new ATOM 0 HH22 ARG A 82 4.333 2.321 11.611 1.00 0.00 H new ATOM 1229 N ALA A 83 8.175 3.405 3.702 1.00 0.00 N ATOM 1230 CA ALA A 83 9.434 2.683 3.832 1.00 0.00 C ATOM 1231 C ALA A 83 10.181 3.106 5.093 1.00 0.00 C ATOM 1232 O ALA A 83 10.009 4.222 5.583 1.00 0.00 O ATOM 1233 CB ALA A 83 10.301 2.908 2.602 1.00 0.00 C ATOM 0 H ALA A 83 8.278 4.411 3.567 1.00 0.00 H new ATOM 0 HA ALA A 83 9.208 1.620 3.914 1.00 0.00 H new ATOM 0 HB1 ALA A 83 11.238 2.363 2.713 1.00 0.00 H new ATOM 0 HB2 ALA A 83 9.776 2.550 1.716 1.00 0.00 H new ATOM 0 HB3 ALA A 83 10.511 3.972 2.494 1.00 0.00 H new ATOM 1239 N ARG A 84 11.010 2.207 5.613 1.00 0.00 N ATOM 1240 CA ARG A 84 11.782 2.487 6.818 1.00 0.00 C ATOM 1241 C ARG A 84 13.233 2.046 6.649 1.00 0.00 C ATOM 1242 O ARG A 84 13.567 1.320 5.712 1.00 0.00 O ATOM 1243 CB ARG A 84 11.160 1.779 8.023 1.00 0.00 C ATOM 1244 CG ARG A 84 11.404 0.279 8.041 1.00 0.00 C ATOM 1245 CD ARG A 84 12.671 -0.071 8.805 1.00 0.00 C ATOM 1246 NE ARG A 84 12.554 0.233 10.229 1.00 0.00 N ATOM 1247 CZ ARG A 84 13.321 -0.318 11.163 1.00 0.00 C ATOM 1248 NH1 ARG A 84 14.256 -1.195 10.826 1.00 0.00 N ATOM 1249 NH2 ARG A 84 13.153 0.009 12.438 1.00 0.00 N ATOM 0 H ARG A 84 11.164 1.279 5.219 1.00 0.00 H new ATOM 0 HA ARG A 84 11.765 3.563 6.988 1.00 0.00 H new ATOM 0 HB2 ARG A 84 11.562 2.215 8.937 1.00 0.00 H new ATOM 0 HB3 ARG A 84 10.086 1.964 8.028 1.00 0.00 H new ATOM 0 HG2 ARG A 84 10.552 -0.224 8.498 1.00 0.00 H new ATOM 0 HG3 ARG A 84 11.481 -0.090 7.018 1.00 0.00 H new ATOM 0 HD2 ARG A 84 12.890 -1.131 8.678 1.00 0.00 H new ATOM 0 HD3 ARG A 84 13.512 0.481 8.385 1.00 0.00 H new ATOM 0 HE ARG A 84 11.845 0.905 10.522 1.00 0.00 H new ATOM 0 HH11 ARG A 84 14.388 -1.449 9.847 1.00 0.00 H new ATOM 0 HH12 ARG A 84 14.843 -1.616 11.546 1.00 0.00 H new ATOM 0 HH21 ARG A 84 12.435 0.684 12.701 1.00 0.00 H new ATOM 0 HH22 ARG A 84 13.742 -0.414 13.155 1.00 0.00 H new ATOM 1263 N SER A 85 14.091 2.490 7.561 1.00 0.00 N ATOM 1264 CA SER A 85 15.507 2.145 7.511 1.00 0.00 C ATOM 1265 C SER A 85 16.004 1.687 8.879 1.00 0.00 C ATOM 1266 O SER A 85 15.229 1.584 9.829 1.00 0.00 O ATOM 1267 CB SER A 85 16.329 3.344 7.033 1.00 0.00 C ATOM 1268 OG SER A 85 17.635 2.947 6.651 1.00 0.00 O ATOM 0 H SER A 85 13.831 3.090 8.344 1.00 0.00 H new ATOM 0 HA SER A 85 15.630 1.324 6.805 1.00 0.00 H new ATOM 0 HB2 SER A 85 15.828 3.819 6.189 1.00 0.00 H new ATOM 0 HB3 SER A 85 16.389 4.088 7.828 1.00 0.00 H new ATOM 0 HG SER A 85 18.055 3.663 6.130 1.00 0.00 H new ATOM 1274 N GLU A 86 17.301 1.412 8.969 1.00 0.00 N ATOM 1275 CA GLU A 86 17.902 0.963 10.220 1.00 0.00 C ATOM 1276 C GLU A 86 17.662 1.979 11.333 1.00 0.00 C ATOM 1277 O GLU A 86 17.698 1.640 12.515 1.00 0.00 O ATOM 1278 CB GLU A 86 19.403 0.734 10.037 1.00 0.00 C ATOM 1279 CG GLU A 86 19.737 -0.294 8.970 1.00 0.00 C ATOM 1280 CD GLU A 86 21.200 -0.694 8.982 1.00 0.00 C ATOM 1281 OE1 GLU A 86 22.017 0.026 8.373 1.00 0.00 O ATOM 1282 OE2 GLU A 86 21.526 -1.729 9.602 1.00 0.00 O ATOM 0 H GLU A 86 17.956 1.492 8.191 1.00 0.00 H new ATOM 0 HA GLU A 86 17.431 0.022 10.503 1.00 0.00 H new ATOM 0 HB2 GLU A 86 19.877 1.681 9.778 1.00 0.00 H new ATOM 0 HB3 GLU A 86 19.831 0.412 10.986 1.00 0.00 H new ATOM 0 HG2 GLU A 86 19.121 -1.181 9.119 1.00 0.00 H new ATOM 0 HG3 GLU A 86 19.483 0.109 7.990 1.00 0.00 H new ATOM 1289 N ALA A 87 17.419 3.227 10.945 1.00 0.00 N ATOM 1290 CA ALA A 87 17.172 4.292 11.909 1.00 0.00 C ATOM 1291 C ALA A 87 15.730 4.261 12.405 1.00 0.00 C ATOM 1292 O ALA A 87 15.476 4.072 13.594 1.00 0.00 O ATOM 1293 CB ALA A 87 17.491 5.646 11.292 1.00 0.00 C ATOM 0 H ALA A 87 17.388 3.525 9.970 1.00 0.00 H new ATOM 0 HA ALA A 87 17.826 4.132 12.766 1.00 0.00 H new ATOM 0 HB1 ALA A 87 17.302 6.432 12.023 1.00 0.00 H new ATOM 0 HB2 ALA A 87 18.539 5.672 10.994 1.00 0.00 H new ATOM 0 HB3 ALA A 87 16.861 5.805 10.417 1.00 0.00 H new ATOM 1299 N GLY A 88 14.788 4.448 11.485 1.00 0.00 N ATOM 1300 CA GLY A 88 13.384 4.438 11.849 1.00 0.00 C ATOM 1301 C GLY A 88 12.472 4.360 10.641 1.00 0.00 C ATOM 1302 O GLY A 88 12.915 4.028 9.541 1.00 0.00 O ATOM 0 H GLY A 88 14.973 4.606 10.494 1.00 0.00 H new ATOM 0 HA2 GLY A 88 13.188 3.589 12.504 1.00 0.00 H new ATOM 0 HA3 GLY A 88 13.153 5.339 12.417 1.00 0.00 H new ATOM 1306 N TYR A 89 11.195 4.665 10.844 1.00 0.00 N ATOM 1307 CA TYR A 89 10.218 4.624 9.763 1.00 0.00 C ATOM 1308 C TYR A 89 10.040 6.004 9.137 1.00 0.00 C ATOM 1309 O TYR A 89 10.100 7.022 9.824 1.00 0.00 O ATOM 1310 CB TYR A 89 8.874 4.110 10.282 1.00 0.00 C ATOM 1311 CG TYR A 89 8.738 2.605 10.223 1.00 0.00 C ATOM 1312 CD1 TYR A 89 9.314 1.797 11.196 1.00 0.00 C ATOM 1313 CD2 TYR A 89 8.035 1.991 9.194 1.00 0.00 C ATOM 1314 CE1 TYR A 89 9.193 0.422 11.146 1.00 0.00 C ATOM 1315 CE2 TYR A 89 7.907 0.616 9.137 1.00 0.00 C ATOM 1316 CZ TYR A 89 8.488 -0.164 10.115 1.00 0.00 C ATOM 1317 OH TYR A 89 8.365 -1.533 10.061 1.00 0.00 O ATOM 0 H TYR A 89 10.812 4.943 11.748 1.00 0.00 H new ATOM 0 HA TYR A 89 10.589 3.943 8.997 1.00 0.00 H new ATOM 0 HB2 TYR A 89 8.743 4.438 11.313 1.00 0.00 H new ATOM 0 HB3 TYR A 89 8.072 4.562 9.699 1.00 0.00 H new ATOM 0 HD1 TYR A 89 9.866 2.252 12.005 1.00 0.00 H new ATOM 0 HD2 TYR A 89 7.581 2.599 8.425 1.00 0.00 H new ATOM 0 HE1 TYR A 89 9.648 -0.191 11.910 1.00 0.00 H new ATOM 0 HE2 TYR A 89 7.355 0.155 8.331 1.00 0.00 H new ATOM 0 HH TYR A 89 7.838 -1.783 9.274 1.00 0.00 H new ATOM 1327 N GLY A 90 9.819 6.027 7.826 1.00 0.00 N ATOM 1328 CA GLY A 90 9.635 7.286 7.127 1.00 0.00 C ATOM 1329 C GLY A 90 8.172 7.617 6.905 1.00 0.00 C ATOM 1330 O GLY A 90 7.282 6.818 7.196 1.00 0.00 O ATOM 0 H GLY A 90 9.764 5.197 7.236 1.00 0.00 H new ATOM 0 HA2 GLY A 90 10.103 8.087 7.699 1.00 0.00 H new ATOM 0 HA3 GLY A 90 10.145 7.242 6.164 1.00 0.00 H new ATOM 1334 N PRO A 91 7.908 8.821 6.377 1.00 0.00 N ATOM 1335 CA PRO A 91 6.543 9.284 6.105 1.00 0.00 C ATOM 1336 C PRO A 91 5.894 8.527 4.952 1.00 0.00 C ATOM 1337 O PRO A 91 6.560 8.160 3.983 1.00 0.00 O ATOM 1338 CB PRO A 91 6.735 10.757 5.737 1.00 0.00 C ATOM 1339 CG PRO A 91 8.132 10.841 5.227 1.00 0.00 C ATOM 1340 CD PRO A 91 8.920 9.824 6.005 1.00 0.00 C ATOM 0 HA PRO A 91 5.881 9.126 6.957 1.00 0.00 H new ATOM 0 HB2 PRO A 91 6.017 11.073 4.980 1.00 0.00 H new ATOM 0 HB3 PRO A 91 6.590 11.403 6.603 1.00 0.00 H new ATOM 0 HG2 PRO A 91 8.170 10.630 4.158 1.00 0.00 H new ATOM 0 HG3 PRO A 91 8.540 11.842 5.369 1.00 0.00 H new ATOM 0 HD2 PRO A 91 9.717 9.387 5.403 1.00 0.00 H new ATOM 0 HD3 PRO A 91 9.390 10.266 6.884 1.00 0.00 H new ATOM 1348 N PHE A 92 4.590 8.297 5.061 1.00 0.00 N ATOM 1349 CA PHE A 92 3.850 7.583 4.026 1.00 0.00 C ATOM 1350 C PHE A 92 4.031 8.254 2.668 1.00 0.00 C ATOM 1351 O PHE A 92 4.410 9.421 2.585 1.00 0.00 O ATOM 1352 CB PHE A 92 2.363 7.521 4.383 1.00 0.00 C ATOM 1353 CG PHE A 92 1.995 6.323 5.211 1.00 0.00 C ATOM 1354 CD1 PHE A 92 1.965 5.058 4.647 1.00 0.00 C ATOM 1355 CD2 PHE A 92 1.678 6.463 6.553 1.00 0.00 C ATOM 1356 CE1 PHE A 92 1.627 3.953 5.406 1.00 0.00 C ATOM 1357 CE2 PHE A 92 1.339 5.362 7.317 1.00 0.00 C ATOM 1358 CZ PHE A 92 1.313 4.106 6.742 1.00 0.00 C ATOM 0 H PHE A 92 4.023 8.594 5.855 1.00 0.00 H new ATOM 0 HA PHE A 92 4.245 6.569 3.966 1.00 0.00 H new ATOM 0 HB2 PHE A 92 2.090 8.426 4.926 1.00 0.00 H new ATOM 0 HB3 PHE A 92 1.777 7.512 3.464 1.00 0.00 H new ATOM 0 HD1 PHE A 92 2.208 4.934 3.602 1.00 0.00 H new ATOM 0 HD2 PHE A 92 1.696 7.443 7.007 1.00 0.00 H new ATOM 0 HE1 PHE A 92 1.609 2.972 4.955 1.00 0.00 H new ATOM 0 HE2 PHE A 92 1.095 5.483 8.362 1.00 0.00 H new ATOM 0 HZ PHE A 92 1.047 3.245 7.337 1.00 0.00 H new ATOM 1368 N GLY A 93 3.757 7.505 1.604 1.00 0.00 N ATOM 1369 CA GLY A 93 3.896 8.042 0.263 1.00 0.00 C ATOM 1370 C GLY A 93 2.598 8.619 -0.268 1.00 0.00 C ATOM 1371 O GLY A 93 1.523 8.329 0.256 1.00 0.00 O ATOM 0 H GLY A 93 3.441 6.536 1.647 1.00 0.00 H new ATOM 0 HA2 GLY A 93 4.662 8.818 0.263 1.00 0.00 H new ATOM 0 HA3 GLY A 93 4.241 7.254 -0.407 1.00 0.00 H new ATOM 1375 N GLN A 94 2.699 9.440 -1.309 1.00 0.00 N ATOM 1376 CA GLN A 94 1.524 10.061 -1.908 1.00 0.00 C ATOM 1377 C GLN A 94 0.374 9.064 -2.010 1.00 0.00 C ATOM 1378 O GLN A 94 0.507 8.010 -2.631 1.00 0.00 O ATOM 1379 CB GLN A 94 1.862 10.610 -3.295 1.00 0.00 C ATOM 1380 CG GLN A 94 0.681 11.259 -3.997 1.00 0.00 C ATOM 1381 CD GLN A 94 1.100 12.102 -5.186 1.00 0.00 C ATOM 1382 OE1 GLN A 94 2.125 12.783 -5.148 1.00 0.00 O ATOM 1383 NE2 GLN A 94 0.307 12.060 -6.250 1.00 0.00 N ATOM 0 H GLN A 94 3.582 9.690 -1.754 1.00 0.00 H new ATOM 0 HA GLN A 94 1.212 10.884 -1.265 1.00 0.00 H new ATOM 0 HB2 GLN A 94 2.665 11.341 -3.201 1.00 0.00 H new ATOM 0 HB3 GLN A 94 2.241 9.798 -3.915 1.00 0.00 H new ATOM 0 HG2 GLN A 94 -0.009 10.484 -4.331 1.00 0.00 H new ATOM 0 HG3 GLN A 94 0.139 11.883 -3.287 1.00 0.00 H new ATOM 0 HE21 GLN A 94 -0.533 11.481 -6.238 1.00 0.00 H new ATOM 0 HE22 GLN A 94 0.538 12.606 -7.080 1.00 0.00 H new ATOM 1392 N GLU A 95 -0.755 9.405 -1.395 1.00 0.00 N ATOM 1393 CA GLU A 95 -1.927 8.538 -1.416 1.00 0.00 C ATOM 1394 C GLU A 95 -2.236 8.075 -2.837 1.00 0.00 C ATOM 1395 O GLU A 95 -2.138 8.849 -3.789 1.00 0.00 O ATOM 1396 CB GLU A 95 -3.138 9.268 -0.831 1.00 0.00 C ATOM 1397 CG GLU A 95 -3.553 10.494 -1.627 1.00 0.00 C ATOM 1398 CD GLU A 95 -4.935 10.993 -1.253 1.00 0.00 C ATOM 1399 OE1 GLU A 95 -5.080 11.577 -0.159 1.00 0.00 O ATOM 1400 OE2 GLU A 95 -5.873 10.798 -2.055 1.00 0.00 O ATOM 0 H GLU A 95 -0.882 10.274 -0.877 1.00 0.00 H new ATOM 0 HA GLU A 95 -1.710 7.661 -0.806 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -3.979 8.576 -0.780 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -2.911 9.569 0.192 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -2.827 11.291 -1.465 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -3.532 10.256 -2.690 1.00 0.00 H new ATOM 1407 N HIS A 96 -2.608 6.806 -2.971 1.00 0.00 N ATOM 1408 CA HIS A 96 -2.931 6.238 -4.275 1.00 0.00 C ATOM 1409 C HIS A 96 -4.355 5.690 -4.291 1.00 0.00 C ATOM 1410 O HIS A 96 -4.868 5.236 -3.268 1.00 0.00 O ATOM 1411 CB HIS A 96 -1.941 5.130 -4.632 1.00 0.00 C ATOM 1412 CG HIS A 96 -1.982 4.731 -6.075 1.00 0.00 C ATOM 1413 ND1 HIS A 96 -1.331 5.432 -7.069 1.00 0.00 N ATOM 1414 CD2 HIS A 96 -2.601 3.696 -6.691 1.00 0.00 C ATOM 1415 CE1 HIS A 96 -1.549 4.846 -8.233 1.00 0.00 C ATOM 1416 NE2 HIS A 96 -2.316 3.790 -8.031 1.00 0.00 N ATOM 0 H HIS A 96 -2.693 6.152 -2.193 1.00 0.00 H new ATOM 0 HA HIS A 96 -2.858 7.032 -5.018 1.00 0.00 H new ATOM 0 HB2 HIS A 96 -0.933 5.461 -4.384 1.00 0.00 H new ATOM 0 HB3 HIS A 96 -2.150 4.255 -4.016 1.00 0.00 H new ATOM 0 HD2 HIS A 96 -3.206 2.938 -6.217 1.00 0.00 H new ATOM 0 HE1 HIS A 96 -1.165 5.175 -9.187 1.00 0.00 H new ATOM 0 HE2 HIS A 96 -2.644 3.148 -8.753 1.00 0.00 H new ATOM 1425 N HIS A 97 -4.988 5.734 -5.459 1.00 0.00 N ATOM 1426 CA HIS A 97 -6.353 5.242 -5.608 1.00 0.00 C ATOM 1427 C HIS A 97 -6.426 4.159 -6.681 1.00 0.00 C ATOM 1428 O HIS A 97 -6.260 4.437 -7.869 1.00 0.00 O ATOM 1429 CB HIS A 97 -7.297 6.391 -5.962 1.00 0.00 C ATOM 1430 CG HIS A 97 -8.735 6.098 -5.665 1.00 0.00 C ATOM 1431 ND1 HIS A 97 -9.532 5.328 -6.485 1.00 0.00 N ATOM 1432 CD2 HIS A 97 -9.520 6.476 -4.628 1.00 0.00 C ATOM 1433 CE1 HIS A 97 -10.745 5.246 -5.967 1.00 0.00 C ATOM 1434 NE2 HIS A 97 -10.763 5.933 -4.840 1.00 0.00 N ATOM 0 H HIS A 97 -4.578 6.105 -6.316 1.00 0.00 H new ATOM 0 HA HIS A 97 -6.662 4.808 -4.657 1.00 0.00 H new ATOM 0 HB2 HIS A 97 -6.995 7.281 -5.411 1.00 0.00 H new ATOM 0 HB3 HIS A 97 -7.193 6.622 -7.022 1.00 0.00 H new ATOM 0 HD2 HIS A 97 -9.223 7.090 -3.791 1.00 0.00 H new ATOM 0 HE1 HIS A 97 -11.579 4.709 -6.393 1.00 0.00 H new ATOM 0 HE2 HIS A 97 -11.570 6.043 -4.226 1.00 0.00 H new ATOM 1443 N SER A 98 -6.674 2.925 -6.254 1.00 0.00 N ATOM 1444 CA SER A 98 -6.764 1.800 -7.177 1.00 0.00 C ATOM 1445 C SER A 98 -7.957 1.961 -8.114 1.00 0.00 C ATOM 1446 O SER A 98 -9.101 1.732 -7.723 1.00 0.00 O ATOM 1447 CB SER A 98 -6.882 0.486 -6.403 1.00 0.00 C ATOM 1448 OG SER A 98 -5.667 0.170 -5.745 1.00 0.00 O ATOM 0 H SER A 98 -6.816 2.679 -5.274 1.00 0.00 H new ATOM 0 HA SER A 98 -5.854 1.779 -7.776 1.00 0.00 H new ATOM 0 HB2 SER A 98 -7.686 0.562 -5.671 1.00 0.00 H new ATOM 0 HB3 SER A 98 -7.149 -0.320 -7.087 1.00 0.00 H new ATOM 0 HG SER A 98 -5.849 -0.041 -4.805 1.00 0.00 H new