USER MOD reduce.3.24.130724 H: found=0, std=0, add=547, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 545 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 8 TYR OH : rot -13:sc= 0.322 USER MOD Single : A 12 THR OG1 : rot 31:sc= -2! USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 THR OG1 : rot 91:sc= 1.26 USER MOD Single : A 34 ASN : amide:sc= -2.77! C(o=-2.8!,f=-4.1!) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot 62:sc= 1.13 USER MOD Single : A 42 ASN : amide:sc= -1.35 K(o=-1.4,f=-7.2!) USER MOD Single : A 43 HIS : no HD1:sc= -16.3! C(o=-16!,f=-15!) USER MOD Single : A 44 SER OG : rot -101:sc= 0.25 USER MOD Single : A 48 ASN : amide:sc= -0.296 K(o=-0.3,f=-2.8!) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 HIS : no HD1:sc= -0.279 K(o=-0.28,f=-1.2) USER MOD Single : A 61 TYR OH : rot 132:sc= -0.203 USER MOD Single : A 64 THR OG1 : rot -104:sc= 0.0938 USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 TYR OH : rot 180:sc= -0.0252 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 52:sc= 0.414 USER MOD ----------------------------------------------------------------- ATOM 69 N PRO A 5 8.314 3.955 -1.500 1.00 0.00 N ATOM 70 CA PRO A 5 7.088 4.673 -1.105 1.00 0.00 C ATOM 71 C PRO A 5 6.961 4.686 0.420 1.00 0.00 C ATOM 72 O PRO A 5 7.627 3.947 1.118 1.00 0.00 O ATOM 73 CB PRO A 5 5.969 3.855 -1.734 1.00 0.00 C ATOM 74 CG PRO A 5 6.529 2.475 -1.893 1.00 0.00 C ATOM 75 CD PRO A 5 8.031 2.598 -1.982 1.00 0.00 C ATOM 0 HA PRO A 5 7.074 5.714 -1.428 1.00 0.00 H new ATOM 0 HB2 PRO A 5 5.082 3.849 -1.100 1.00 0.00 H new ATOM 0 HB3 PRO A 5 5.670 4.271 -2.696 1.00 0.00 H new ATOM 0 HG2 PRO A 5 6.246 1.847 -1.048 1.00 0.00 H new ATOM 0 HG3 PRO A 5 6.130 2.001 -2.790 1.00 0.00 H new ATOM 0 HD2 PRO A 5 8.528 1.847 -1.369 1.00 0.00 H new ATOM 0 HD3 PRO A 5 8.381 2.458 -3.005 1.00 0.00 H new ATOM 83 N ALA A 6 6.115 5.525 0.937 1.00 0.00 N ATOM 84 CA ALA A 6 5.936 5.603 2.413 1.00 0.00 C ATOM 85 C ALA A 6 4.952 4.536 2.893 1.00 0.00 C ATOM 86 O ALA A 6 5.023 4.074 4.013 1.00 0.00 O ATOM 87 CB ALA A 6 5.379 7.003 2.671 1.00 0.00 C ATOM 0 H ALA A 6 5.534 6.167 0.398 1.00 0.00 H new ATOM 0 HA ALA A 6 6.870 5.429 2.948 1.00 0.00 H new ATOM 0 HB1 ALA A 6 5.219 7.140 3.741 1.00 0.00 H new ATOM 0 HB2 ALA A 6 6.088 7.749 2.312 1.00 0.00 H new ATOM 0 HB3 ALA A 6 4.432 7.120 2.145 1.00 0.00 H new ATOM 93 N ILE A 7 4.030 4.142 2.059 1.00 0.00 N ATOM 94 CA ILE A 7 3.046 3.104 2.478 1.00 0.00 C ATOM 95 C ILE A 7 3.772 1.852 2.976 1.00 0.00 C ATOM 96 O ILE A 7 3.484 1.336 4.037 1.00 0.00 O ATOM 97 CB ILE A 7 2.222 2.783 1.224 1.00 0.00 C ATOM 98 CG1 ILE A 7 1.356 1.541 1.499 1.00 0.00 C ATOM 99 CG2 ILE A 7 3.156 2.524 0.033 1.00 0.00 C ATOM 100 CD1 ILE A 7 1.056 0.797 0.196 1.00 0.00 C ATOM 0 H ILE A 7 3.915 4.492 1.108 1.00 0.00 H new ATOM 0 HA ILE A 7 2.415 3.453 3.295 1.00 0.00 H new ATOM 0 HB ILE A 7 1.579 3.629 0.981 1.00 0.00 H new ATOM 0 HG12 ILE A 7 1.872 0.877 2.193 1.00 0.00 H new ATOM 0 HG13 ILE A 7 0.423 1.840 1.977 1.00 0.00 H new ATOM 0 HG21 ILE A 7 2.562 2.297 -0.852 1.00 0.00 H new ATOM 0 HG22 ILE A 7 3.762 3.411 -0.154 1.00 0.00 H new ATOM 0 HG23 ILE A 7 3.808 1.680 0.259 1.00 0.00 H new ATOM 0 HD11 ILE A 7 0.443 -0.078 0.410 1.00 0.00 H new ATOM 0 HD12 ILE A 7 0.520 1.458 -0.485 1.00 0.00 H new ATOM 0 HD13 ILE A 7 1.991 0.481 -0.266 1.00 0.00 H new ATOM 112 N TYR A 8 4.700 1.356 2.210 1.00 0.00 N ATOM 113 CA TYR A 8 5.441 0.132 2.620 1.00 0.00 C ATOM 114 C TYR A 8 5.898 0.248 4.071 1.00 0.00 C ATOM 115 O TYR A 8 6.060 -0.737 4.760 1.00 0.00 O ATOM 116 CB TYR A 8 6.638 0.063 1.671 1.00 0.00 C ATOM 117 CG TYR A 8 6.184 -0.404 0.302 1.00 0.00 C ATOM 118 CD1 TYR A 8 4.818 -0.567 0.023 1.00 0.00 C ATOM 119 CD2 TYR A 8 7.134 -0.671 -0.691 1.00 0.00 C ATOM 120 CE1 TYR A 8 4.407 -0.997 -1.243 1.00 0.00 C ATOM 121 CE2 TYR A 8 6.721 -1.101 -1.959 1.00 0.00 C ATOM 122 CZ TYR A 8 5.358 -1.264 -2.234 1.00 0.00 C ATOM 123 OH TYR A 8 4.953 -1.688 -3.483 1.00 0.00 O ATOM 0 H TYR A 8 4.980 1.748 1.311 1.00 0.00 H new ATOM 0 HA TYR A 8 4.826 -0.766 2.562 1.00 0.00 H new ATOM 0 HB2 TYR A 8 7.108 1.043 1.593 1.00 0.00 H new ATOM 0 HB3 TYR A 8 7.389 -0.620 2.068 1.00 0.00 H new ATOM 0 HD1 TYR A 8 4.083 -0.360 0.787 1.00 0.00 H new ATOM 0 HD2 TYR A 8 8.186 -0.545 -0.480 1.00 0.00 H new ATOM 0 HE1 TYR A 8 3.356 -1.123 -1.456 1.00 0.00 H new ATOM 0 HE2 TYR A 8 7.454 -1.307 -2.725 1.00 0.00 H new ATOM 0 HH TYR A 8 4.010 -1.953 -3.449 1.00 0.00 H new ATOM 133 N ILE A 9 6.100 1.443 4.544 1.00 0.00 N ATOM 134 CA ILE A 9 6.537 1.603 5.958 1.00 0.00 C ATOM 135 C ILE A 9 5.440 1.096 6.893 1.00 0.00 C ATOM 136 O ILE A 9 4.332 1.592 6.895 1.00 0.00 O ATOM 137 CB ILE A 9 6.768 3.102 6.150 1.00 0.00 C ATOM 138 CG1 ILE A 9 7.909 3.563 5.240 1.00 0.00 C ATOM 139 CG2 ILE A 9 7.139 3.378 7.608 1.00 0.00 C ATOM 140 CD1 ILE A 9 8.193 5.045 5.490 1.00 0.00 C ATOM 0 H ILE A 9 5.983 2.310 4.019 1.00 0.00 H new ATOM 0 HA ILE A 9 7.440 1.035 6.181 1.00 0.00 H new ATOM 0 HB ILE A 9 5.857 3.645 5.896 1.00 0.00 H new ATOM 0 HG12 ILE A 9 8.804 2.972 5.434 1.00 0.00 H new ATOM 0 HG13 ILE A 9 7.642 3.404 4.195 1.00 0.00 H new ATOM 0 HG21 ILE A 9 7.304 4.447 7.745 1.00 0.00 H new ATOM 0 HG22 ILE A 9 6.328 3.049 8.258 1.00 0.00 H new ATOM 0 HG23 ILE A 9 8.050 2.835 7.861 1.00 0.00 H new ATOM 0 HD11 ILE A 9 9.006 5.374 4.842 1.00 0.00 H new ATOM 0 HD12 ILE A 9 7.298 5.628 5.274 1.00 0.00 H new ATOM 0 HD13 ILE A 9 8.478 5.190 6.532 1.00 0.00 H new ATOM 152 N GLY A 10 5.739 0.096 7.673 1.00 0.00 N ATOM 153 CA GLY A 10 4.710 -0.461 8.590 1.00 0.00 C ATOM 154 C GLY A 10 3.599 -1.072 7.742 1.00 0.00 C ATOM 155 O GLY A 10 2.444 -1.088 8.122 1.00 0.00 O ATOM 0 H GLY A 10 6.651 -0.359 7.715 1.00 0.00 H new ATOM 0 HA2 GLY A 10 5.150 -1.216 9.242 1.00 0.00 H new ATOM 0 HA3 GLY A 10 4.310 0.322 9.234 1.00 0.00 H new ATOM 159 N ALA A 11 3.943 -1.566 6.584 1.00 0.00 N ATOM 160 CA ALA A 11 2.904 -2.167 5.690 1.00 0.00 C ATOM 161 C ALA A 11 3.019 -3.693 5.672 1.00 0.00 C ATOM 162 O ALA A 11 3.618 -4.289 6.544 1.00 0.00 O ATOM 163 CB ALA A 11 3.200 -1.597 4.304 1.00 0.00 C ATOM 0 H ALA A 11 4.894 -1.581 6.216 1.00 0.00 H new ATOM 0 HA ALA A 11 1.894 -1.934 6.027 1.00 0.00 H new ATOM 0 HB1 ALA A 11 2.479 -1.990 3.587 1.00 0.00 H new ATOM 0 HB2 ALA A 11 3.125 -0.510 4.334 1.00 0.00 H new ATOM 0 HB3 ALA A 11 4.207 -1.883 4.000 1.00 0.00 H new ATOM 169 N THR A 12 2.446 -4.329 4.681 1.00 0.00 N ATOM 170 CA THR A 12 2.525 -5.820 4.604 1.00 0.00 C ATOM 171 C THR A 12 2.333 -6.275 3.159 1.00 0.00 C ATOM 172 O THR A 12 1.227 -6.485 2.716 1.00 0.00 O ATOM 173 CB THR A 12 1.375 -6.332 5.476 1.00 0.00 C ATOM 174 OG1 THR A 12 1.721 -6.192 6.846 1.00 0.00 O ATOM 175 CG2 THR A 12 1.114 -7.807 5.159 1.00 0.00 C ATOM 0 H THR A 12 1.928 -3.882 3.924 1.00 0.00 H new ATOM 0 HA THR A 12 3.490 -6.199 4.942 1.00 0.00 H new ATOM 0 HB THR A 12 0.475 -5.753 5.270 1.00 0.00 H new ATOM 0 HG1 THR A 12 2.305 -5.413 6.958 1.00 0.00 H new ATOM 0 HG21 THR A 12 0.296 -8.173 5.779 1.00 0.00 H new ATOM 0 HG22 THR A 12 0.847 -7.911 4.107 1.00 0.00 H new ATOM 0 HG23 THR A 12 2.013 -8.388 5.365 1.00 0.00 H new ATOM 183 N VAL A 13 3.393 -6.432 2.421 1.00 0.00 N ATOM 184 CA VAL A 13 3.249 -6.871 1.003 1.00 0.00 C ATOM 185 C VAL A 13 3.377 -8.393 0.903 1.00 0.00 C ATOM 186 O VAL A 13 3.753 -9.058 1.848 1.00 0.00 O ATOM 187 CB VAL A 13 4.397 -6.188 0.250 1.00 0.00 C ATOM 188 CG1 VAL A 13 4.488 -4.714 0.657 1.00 0.00 C ATOM 189 CG2 VAL A 13 5.717 -6.887 0.588 1.00 0.00 C ATOM 0 H VAL A 13 4.351 -6.277 2.734 1.00 0.00 H new ATOM 0 HA VAL A 13 2.276 -6.604 0.590 1.00 0.00 H new ATOM 0 HB VAL A 13 4.208 -6.254 -0.821 1.00 0.00 H new ATOM 0 HG11 VAL A 13 5.306 -4.237 0.117 1.00 0.00 H new ATOM 0 HG12 VAL A 13 3.552 -4.211 0.415 1.00 0.00 H new ATOM 0 HG13 VAL A 13 4.671 -4.643 1.729 1.00 0.00 H new ATOM 0 HG21 VAL A 13 6.533 -6.402 0.053 1.00 0.00 H new ATOM 0 HG22 VAL A 13 5.898 -6.823 1.661 1.00 0.00 H new ATOM 0 HG23 VAL A 13 5.661 -7.934 0.291 1.00 0.00 H new ATOM 199 N GLY A 14 3.071 -8.947 -0.238 1.00 0.00 N ATOM 200 CA GLY A 14 3.180 -10.424 -0.402 1.00 0.00 C ATOM 201 C GLY A 14 4.604 -10.788 -0.824 1.00 0.00 C ATOM 202 O GLY A 14 5.519 -10.004 -0.660 1.00 0.00 O ATOM 0 H GLY A 14 2.750 -8.441 -1.063 1.00 0.00 H new ATOM 0 HA2 GLY A 14 2.928 -10.924 0.533 1.00 0.00 H new ATOM 0 HA3 GLY A 14 2.468 -10.771 -1.151 1.00 0.00 H new ATOM 206 N PRO A 15 4.743 -11.971 -1.355 1.00 0.00 N ATOM 207 CA PRO A 15 6.072 -12.450 -1.809 1.00 0.00 C ATOM 208 C PRO A 15 6.477 -11.749 -3.108 1.00 0.00 C ATOM 209 O PRO A 15 7.625 -11.404 -3.306 1.00 0.00 O ATOM 210 CB PRO A 15 5.852 -13.942 -2.041 1.00 0.00 C ATOM 211 CG PRO A 15 4.387 -14.085 -2.308 1.00 0.00 C ATOM 212 CD PRO A 15 3.688 -12.964 -1.580 1.00 0.00 C ATOM 0 HA PRO A 15 6.870 -12.247 -1.094 1.00 0.00 H new ATOM 0 HB2 PRO A 15 6.443 -14.301 -2.884 1.00 0.00 H new ATOM 0 HB3 PRO A 15 6.152 -14.525 -1.170 1.00 0.00 H new ATOM 0 HG2 PRO A 15 4.184 -14.034 -3.378 1.00 0.00 H new ATOM 0 HG3 PRO A 15 4.026 -15.053 -1.961 1.00 0.00 H new ATOM 0 HD2 PRO A 15 2.872 -12.551 -2.173 1.00 0.00 H new ATOM 0 HD3 PRO A 15 3.257 -13.307 -0.640 1.00 0.00 H new ATOM 220 N SER A 16 5.543 -11.533 -3.995 1.00 0.00 N ATOM 221 CA SER A 16 5.878 -10.853 -5.279 1.00 0.00 C ATOM 222 C SER A 16 6.255 -9.391 -5.019 1.00 0.00 C ATOM 223 O SER A 16 7.308 -8.931 -5.416 1.00 0.00 O ATOM 224 CB SER A 16 4.603 -10.936 -6.117 1.00 0.00 C ATOM 225 OG SER A 16 4.783 -10.201 -7.320 1.00 0.00 O ATOM 0 H SER A 16 4.564 -11.798 -3.886 1.00 0.00 H new ATOM 0 HA SER A 16 6.727 -11.316 -5.782 1.00 0.00 H new ATOM 0 HB2 SER A 16 4.371 -11.976 -6.344 1.00 0.00 H new ATOM 0 HB3 SER A 16 3.759 -10.536 -5.556 1.00 0.00 H new ATOM 0 HG SER A 16 3.967 -10.254 -7.861 1.00 0.00 H new ATOM 231 N VAL A 17 5.405 -8.658 -4.351 1.00 0.00 N ATOM 232 CA VAL A 17 5.722 -7.230 -4.066 1.00 0.00 C ATOM 233 C VAL A 17 7.028 -7.132 -3.278 1.00 0.00 C ATOM 234 O VAL A 17 7.897 -6.347 -3.595 1.00 0.00 O ATOM 235 CB VAL A 17 4.547 -6.720 -3.230 1.00 0.00 C ATOM 236 CG1 VAL A 17 4.787 -5.258 -2.849 1.00 0.00 C ATOM 237 CG2 VAL A 17 3.256 -6.828 -4.045 1.00 0.00 C ATOM 0 H VAL A 17 4.508 -8.985 -3.992 1.00 0.00 H new ATOM 0 HA VAL A 17 5.854 -6.644 -4.976 1.00 0.00 H new ATOM 0 HB VAL A 17 4.458 -7.321 -2.325 1.00 0.00 H new ATOM 0 HG11 VAL A 17 3.949 -4.895 -2.253 1.00 0.00 H new ATOM 0 HG12 VAL A 17 5.706 -5.179 -2.268 1.00 0.00 H new ATOM 0 HG13 VAL A 17 4.877 -4.656 -3.753 1.00 0.00 H new ATOM 0 HG21 VAL A 17 2.418 -6.465 -3.450 1.00 0.00 H new ATOM 0 HG22 VAL A 17 3.346 -6.227 -4.950 1.00 0.00 H new ATOM 0 HG23 VAL A 17 3.083 -7.869 -4.317 1.00 0.00 H new ATOM 247 N TRP A 18 7.176 -7.930 -2.257 1.00 0.00 N ATOM 248 CA TRP A 18 8.433 -7.885 -1.457 1.00 0.00 C ATOM 249 C TRP A 18 9.640 -7.939 -2.393 1.00 0.00 C ATOM 250 O TRP A 18 10.407 -7.002 -2.494 1.00 0.00 O ATOM 251 CB TRP A 18 8.388 -9.131 -0.576 1.00 0.00 C ATOM 252 CG TRP A 18 9.646 -9.224 0.227 1.00 0.00 C ATOM 253 CD1 TRP A 18 10.821 -9.717 -0.226 1.00 0.00 C ATOM 254 CD2 TRP A 18 9.875 -8.824 1.610 1.00 0.00 C ATOM 255 NE1 TRP A 18 11.757 -9.647 0.790 1.00 0.00 N ATOM 256 CE2 TRP A 18 11.222 -9.103 1.942 1.00 0.00 C ATOM 257 CE3 TRP A 18 9.054 -8.252 2.598 1.00 0.00 C ATOM 258 CZ2 TRP A 18 11.736 -8.826 3.209 1.00 0.00 C ATOM 259 CZ3 TRP A 18 9.568 -7.971 3.874 1.00 0.00 C ATOM 260 CH2 TRP A 18 10.906 -8.257 4.179 1.00 0.00 C ATOM 0 H TRP A 18 6.483 -8.610 -1.942 1.00 0.00 H new ATOM 0 HA TRP A 18 8.519 -6.973 -0.866 1.00 0.00 H new ATOM 0 HB2 TRP A 18 7.524 -9.089 0.087 1.00 0.00 H new ATOM 0 HB3 TRP A 18 8.272 -10.021 -1.194 1.00 0.00 H new ATOM 0 HD1 TRP A 18 10.999 -10.102 -1.219 1.00 0.00 H new ATOM 0 HE1 TRP A 18 12.724 -9.959 0.700 1.00 0.00 H new ATOM 0 HE3 TRP A 18 8.022 -8.027 2.374 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 12.767 -9.050 3.439 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 8.928 -7.532 4.625 1.00 0.00 H new ATOM 0 HH2 TRP A 18 11.295 -8.038 5.162 1.00 0.00 H new ATOM 271 N ALA A 19 9.810 -9.034 -3.081 1.00 0.00 N ATOM 272 CA ALA A 19 10.963 -9.158 -4.017 1.00 0.00 C ATOM 273 C ALA A 19 11.147 -7.860 -4.806 1.00 0.00 C ATOM 274 O ALA A 19 12.253 -7.405 -5.022 1.00 0.00 O ATOM 275 CB ALA A 19 10.588 -10.306 -4.955 1.00 0.00 C ATOM 0 H ALA A 19 9.199 -9.850 -3.035 1.00 0.00 H new ATOM 0 HA ALA A 19 11.901 -9.347 -3.494 1.00 0.00 H new ATOM 0 HB1 ALA A 19 11.389 -10.462 -5.678 1.00 0.00 H new ATOM 0 HB2 ALA A 19 10.441 -11.217 -4.375 1.00 0.00 H new ATOM 0 HB3 ALA A 19 9.666 -10.059 -5.482 1.00 0.00 H new ATOM 281 N TYR A 20 10.072 -7.262 -5.234 1.00 0.00 N ATOM 282 CA TYR A 20 10.186 -5.990 -6.006 1.00 0.00 C ATOM 283 C TYR A 20 10.897 -4.928 -5.166 1.00 0.00 C ATOM 284 O TYR A 20 11.919 -4.395 -5.552 1.00 0.00 O ATOM 285 CB TYR A 20 8.744 -5.570 -6.289 1.00 0.00 C ATOM 286 CG TYR A 20 8.735 -4.428 -7.275 1.00 0.00 C ATOM 287 CD1 TYR A 20 8.834 -4.686 -8.648 1.00 0.00 C ATOM 288 CD2 TYR A 20 8.628 -3.110 -6.816 1.00 0.00 C ATOM 289 CE1 TYR A 20 8.826 -3.625 -9.561 1.00 0.00 C ATOM 290 CE2 TYR A 20 8.620 -2.049 -7.730 1.00 0.00 C ATOM 291 CZ TYR A 20 8.719 -2.307 -9.102 1.00 0.00 C ATOM 292 OH TYR A 20 8.711 -1.261 -10.002 1.00 0.00 O ATOM 0 H TYR A 20 9.120 -7.596 -5.084 1.00 0.00 H new ATOM 0 HA TYR A 20 10.763 -6.112 -6.923 1.00 0.00 H new ATOM 0 HB2 TYR A 20 8.180 -6.413 -6.688 1.00 0.00 H new ATOM 0 HB3 TYR A 20 8.254 -5.269 -5.363 1.00 0.00 H new ATOM 0 HD1 TYR A 20 8.916 -5.703 -9.002 1.00 0.00 H new ATOM 0 HD2 TYR A 20 8.552 -2.911 -5.757 1.00 0.00 H new ATOM 0 HE1 TYR A 20 8.902 -3.823 -10.620 1.00 0.00 H new ATOM 0 HE2 TYR A 20 8.537 -1.032 -7.376 1.00 0.00 H new ATOM 0 HH TYR A 20 8.629 -0.413 -9.517 1.00 0.00 H new ATOM 302 N LEU A 21 10.362 -4.620 -4.017 1.00 0.00 N ATOM 303 CA LEU A 21 10.999 -3.594 -3.144 1.00 0.00 C ATOM 304 C LEU A 21 12.480 -3.921 -2.937 1.00 0.00 C ATOM 305 O LEU A 21 13.315 -3.041 -2.867 1.00 0.00 O ATOM 306 CB LEU A 21 10.238 -3.686 -1.821 1.00 0.00 C ATOM 307 CG LEU A 21 10.340 -2.355 -1.075 1.00 0.00 C ATOM 308 CD1 LEU A 21 9.516 -2.429 0.213 1.00 0.00 C ATOM 309 CD2 LEU A 21 11.804 -2.076 -0.727 1.00 0.00 C ATOM 0 H LEU A 21 9.509 -5.036 -3.644 1.00 0.00 H new ATOM 0 HA LEU A 21 10.955 -2.594 -3.575 1.00 0.00 H new ATOM 0 HB2 LEU A 21 9.192 -3.930 -2.008 1.00 0.00 H new ATOM 0 HB3 LEU A 21 10.648 -4.489 -1.209 1.00 0.00 H new ATOM 0 HG LEU A 21 9.957 -1.554 -1.707 1.00 0.00 H new ATOM 0 HD11 LEU A 21 9.588 -1.481 0.746 1.00 0.00 H new ATOM 0 HD12 LEU A 21 8.473 -2.629 -0.033 1.00 0.00 H new ATOM 0 HD13 LEU A 21 9.900 -3.230 0.845 1.00 0.00 H new ATOM 0 HD21 LEU A 21 11.877 -1.127 -0.195 1.00 0.00 H new ATOM 0 HD22 LEU A 21 12.187 -2.877 -0.094 1.00 0.00 H new ATOM 0 HD23 LEU A 21 12.392 -2.025 -1.643 1.00 0.00 H new ATOM 321 N VAL A 22 12.814 -5.178 -2.840 1.00 0.00 N ATOM 322 CA VAL A 22 14.243 -5.554 -2.639 1.00 0.00 C ATOM 323 C VAL A 22 15.095 -5.011 -3.786 1.00 0.00 C ATOM 324 O VAL A 22 16.118 -4.390 -3.576 1.00 0.00 O ATOM 325 CB VAL A 22 14.256 -7.083 -2.637 1.00 0.00 C ATOM 326 CG1 VAL A 22 15.697 -7.581 -2.770 1.00 0.00 C ATOM 327 CG2 VAL A 22 13.657 -7.596 -1.326 1.00 0.00 C ATOM 0 H VAL A 22 12.161 -5.960 -2.891 1.00 0.00 H new ATOM 0 HA VAL A 22 14.653 -5.144 -1.716 1.00 0.00 H new ATOM 0 HB VAL A 22 13.665 -7.453 -3.475 1.00 0.00 H new ATOM 0 HG11 VAL A 22 15.707 -8.671 -2.769 1.00 0.00 H new ATOM 0 HG12 VAL A 22 16.124 -7.215 -3.704 1.00 0.00 H new ATOM 0 HG13 VAL A 22 16.288 -7.212 -1.932 1.00 0.00 H new ATOM 0 HG21 VAL A 22 13.666 -8.686 -1.324 1.00 0.00 H new ATOM 0 HG22 VAL A 22 14.247 -7.227 -0.487 1.00 0.00 H new ATOM 0 HG23 VAL A 22 12.631 -7.241 -1.232 1.00 0.00 H new ATOM 337 N ALA A 23 14.678 -5.241 -4.997 1.00 0.00 N ATOM 338 CA ALA A 23 15.456 -4.740 -6.164 1.00 0.00 C ATOM 339 C ALA A 23 15.627 -3.222 -6.072 1.00 0.00 C ATOM 340 O ALA A 23 16.705 -2.695 -6.268 1.00 0.00 O ATOM 341 CB ALA A 23 14.619 -5.112 -7.387 1.00 0.00 C ATOM 0 H ALA A 23 13.829 -5.756 -5.231 1.00 0.00 H new ATOM 0 HA ALA A 23 16.457 -5.170 -6.209 1.00 0.00 H new ATOM 0 HB1 ALA A 23 15.126 -4.776 -8.291 1.00 0.00 H new ATOM 0 HB2 ALA A 23 14.490 -6.194 -7.424 1.00 0.00 H new ATOM 0 HB3 ALA A 23 13.643 -4.632 -7.319 1.00 0.00 H new ATOM 347 N LEU A 24 14.571 -2.513 -5.776 1.00 0.00 N ATOM 348 CA LEU A 24 14.672 -1.030 -5.673 1.00 0.00 C ATOM 349 C LEU A 24 15.729 -0.639 -4.636 1.00 0.00 C ATOM 350 O LEU A 24 16.538 0.238 -4.863 1.00 0.00 O ATOM 351 CB LEU A 24 13.286 -0.573 -5.221 1.00 0.00 C ATOM 352 CG LEU A 24 13.046 0.866 -5.680 1.00 0.00 C ATOM 353 CD1 LEU A 24 13.217 0.952 -7.198 1.00 0.00 C ATOM 354 CD2 LEU A 24 11.626 1.292 -5.302 1.00 0.00 C ATOM 0 H LEU A 24 13.643 -2.898 -5.601 1.00 0.00 H new ATOM 0 HA LEU A 24 14.969 -0.570 -6.616 1.00 0.00 H new ATOM 0 HB2 LEU A 24 12.522 -1.230 -5.636 1.00 0.00 H new ATOM 0 HB3 LEU A 24 13.207 -0.637 -4.136 1.00 0.00 H new ATOM 0 HG LEU A 24 13.765 1.527 -5.195 1.00 0.00 H new ATOM 0 HD11 LEU A 24 13.046 1.977 -7.526 1.00 0.00 H new ATOM 0 HD12 LEU A 24 14.228 0.649 -7.468 1.00 0.00 H new ATOM 0 HD13 LEU A 24 12.498 0.291 -7.683 1.00 0.00 H new ATOM 0 HD21 LEU A 24 11.455 2.318 -5.629 1.00 0.00 H new ATOM 0 HD22 LEU A 24 10.907 0.632 -5.787 1.00 0.00 H new ATOM 0 HD23 LEU A 24 11.503 1.231 -4.221 1.00 0.00 H new ATOM 366 N VAL A 25 15.725 -1.282 -3.502 1.00 0.00 N ATOM 367 CA VAL A 25 16.728 -0.945 -2.449 1.00 0.00 C ATOM 368 C VAL A 25 17.497 -2.205 -2.024 1.00 0.00 C ATOM 369 O VAL A 25 18.539 -2.515 -2.565 1.00 0.00 O ATOM 370 CB VAL A 25 15.914 -0.356 -1.280 1.00 0.00 C ATOM 371 CG1 VAL A 25 14.567 -1.075 -1.149 1.00 0.00 C ATOM 372 CG2 VAL A 25 16.697 -0.508 0.025 1.00 0.00 C ATOM 0 H VAL A 25 15.072 -2.026 -3.257 1.00 0.00 H new ATOM 0 HA VAL A 25 17.476 -0.235 -2.802 1.00 0.00 H new ATOM 0 HB VAL A 25 15.735 0.700 -1.480 1.00 0.00 H new ATOM 0 HG11 VAL A 25 14.005 -0.647 -0.319 1.00 0.00 H new ATOM 0 HG12 VAL A 25 13.999 -0.955 -2.072 1.00 0.00 H new ATOM 0 HG13 VAL A 25 14.737 -2.135 -0.963 1.00 0.00 H new ATOM 0 HG21 VAL A 25 16.117 -0.090 0.848 1.00 0.00 H new ATOM 0 HG22 VAL A 25 16.887 -1.564 0.215 1.00 0.00 H new ATOM 0 HG23 VAL A 25 17.646 0.022 -0.056 1.00 0.00 H new ATOM 382 N GLY A 26 16.999 -2.931 -1.057 1.00 0.00 N ATOM 383 CA GLY A 26 17.709 -4.159 -0.605 1.00 0.00 C ATOM 384 C GLY A 26 16.971 -4.758 0.592 1.00 0.00 C ATOM 385 O GLY A 26 16.111 -4.132 1.180 1.00 0.00 O ATOM 0 H GLY A 26 16.131 -2.725 -0.562 1.00 0.00 H new ATOM 0 HA2 GLY A 26 17.757 -4.885 -1.417 1.00 0.00 H new ATOM 0 HA3 GLY A 26 18.736 -3.919 -0.330 1.00 0.00 H new ATOM 389 N ALA A 27 17.293 -5.968 0.956 1.00 0.00 N ATOM 390 CA ALA A 27 16.604 -6.607 2.111 1.00 0.00 C ATOM 391 C ALA A 27 16.861 -5.817 3.397 1.00 0.00 C ATOM 392 O ALA A 27 16.126 -5.928 4.359 1.00 0.00 O ATOM 393 CB ALA A 27 17.212 -8.007 2.211 1.00 0.00 C ATOM 0 H ALA A 27 18.004 -6.542 0.503 1.00 0.00 H new ATOM 0 HA ALA A 27 15.523 -6.638 1.975 1.00 0.00 H new ATOM 0 HB1 ALA A 27 16.755 -8.544 3.042 1.00 0.00 H new ATOM 0 HB2 ALA A 27 17.029 -8.550 1.284 1.00 0.00 H new ATOM 0 HB3 ALA A 27 18.286 -7.926 2.379 1.00 0.00 H new ATOM 399 N ALA A 28 17.892 -5.019 3.426 1.00 0.00 N ATOM 400 CA ALA A 28 18.181 -4.230 4.653 1.00 0.00 C ATOM 401 C ALA A 28 17.145 -3.122 4.810 1.00 0.00 C ATOM 402 O ALA A 28 16.369 -3.113 5.744 1.00 0.00 O ATOM 403 CB ALA A 28 19.575 -3.641 4.433 1.00 0.00 C ATOM 0 H ALA A 28 18.545 -4.880 2.655 1.00 0.00 H new ATOM 0 HA ALA A 28 18.141 -4.837 5.557 1.00 0.00 H new ATOM 0 HB1 ALA A 28 19.858 -3.044 5.300 1.00 0.00 H new ATOM 0 HB2 ALA A 28 20.294 -4.449 4.298 1.00 0.00 H new ATOM 0 HB3 ALA A 28 19.567 -3.010 3.544 1.00 0.00 H new ATOM 409 N ALA A 29 17.113 -2.195 3.895 1.00 0.00 N ATOM 410 CA ALA A 29 16.108 -1.103 3.994 1.00 0.00 C ATOM 411 C ALA A 29 14.708 -1.710 3.953 1.00 0.00 C ATOM 412 O ALA A 29 13.752 -1.134 4.433 1.00 0.00 O ATOM 413 CB ALA A 29 16.350 -0.215 2.773 1.00 0.00 C ATOM 0 H ALA A 29 17.735 -2.146 3.088 1.00 0.00 H new ATOM 0 HA ALA A 29 16.194 -0.532 4.918 1.00 0.00 H new ATOM 0 HB1 ALA A 29 15.642 0.614 2.780 1.00 0.00 H new ATOM 0 HB2 ALA A 29 17.367 0.176 2.803 1.00 0.00 H new ATOM 0 HB3 ALA A 29 16.213 -0.801 1.864 1.00 0.00 H new ATOM 419 N VAL A 30 14.585 -2.882 3.390 1.00 0.00 N ATOM 420 CA VAL A 30 13.255 -3.540 3.326 1.00 0.00 C ATOM 421 C VAL A 30 12.805 -3.922 4.737 1.00 0.00 C ATOM 422 O VAL A 30 11.641 -3.837 5.074 1.00 0.00 O ATOM 423 CB VAL A 30 13.467 -4.790 2.469 1.00 0.00 C ATOM 424 CG1 VAL A 30 12.299 -5.756 2.675 1.00 0.00 C ATOM 425 CG2 VAL A 30 13.540 -4.392 0.994 1.00 0.00 C ATOM 0 H VAL A 30 15.351 -3.410 2.972 1.00 0.00 H new ATOM 0 HA VAL A 30 12.486 -2.892 2.905 1.00 0.00 H new ATOM 0 HB VAL A 30 14.398 -5.275 2.763 1.00 0.00 H new ATOM 0 HG11 VAL A 30 12.451 -6.646 2.064 1.00 0.00 H new ATOM 0 HG12 VAL A 30 12.244 -6.042 3.725 1.00 0.00 H new ATOM 0 HG13 VAL A 30 11.369 -5.270 2.382 1.00 0.00 H new ATOM 0 HG21 VAL A 30 13.691 -5.283 0.384 1.00 0.00 H new ATOM 0 HG22 VAL A 30 12.609 -3.906 0.702 1.00 0.00 H new ATOM 0 HG23 VAL A 30 14.372 -3.704 0.844 1.00 0.00 H new ATOM 435 N THR A 31 13.725 -4.341 5.568 1.00 0.00 N ATOM 436 CA THR A 31 13.353 -4.725 6.960 1.00 0.00 C ATOM 437 C THR A 31 13.333 -3.484 7.857 1.00 0.00 C ATOM 438 O THR A 31 12.669 -3.453 8.875 1.00 0.00 O ATOM 439 CB THR A 31 14.443 -5.698 7.409 1.00 0.00 C ATOM 440 OG1 THR A 31 14.585 -6.727 6.441 1.00 0.00 O ATOM 441 CG2 THR A 31 14.058 -6.310 8.756 1.00 0.00 C ATOM 0 H THR A 31 14.715 -4.433 5.342 1.00 0.00 H new ATOM 0 HA THR A 31 12.362 -5.175 7.016 1.00 0.00 H new ATOM 0 HB THR A 31 15.388 -5.164 7.512 1.00 0.00 H new ATOM 0 HG1 THR A 31 15.267 -6.469 5.787 1.00 0.00 H new ATOM 0 HG21 THR A 31 14.835 -7.004 9.076 1.00 0.00 H new ATOM 0 HG22 THR A 31 13.950 -5.519 9.498 1.00 0.00 H new ATOM 0 HG23 THR A 31 13.113 -6.845 8.656 1.00 0.00 H new ATOM 449 N ALA A 32 14.052 -2.460 7.488 1.00 0.00 N ATOM 450 CA ALA A 32 14.070 -1.222 8.318 1.00 0.00 C ATOM 451 C ALA A 32 12.776 -0.433 8.108 1.00 0.00 C ATOM 452 O ALA A 32 12.373 0.352 8.942 1.00 0.00 O ATOM 453 CB ALA A 32 15.273 -0.422 7.817 1.00 0.00 C ATOM 0 H ALA A 32 14.628 -2.427 6.647 1.00 0.00 H new ATOM 0 HA ALA A 32 14.144 -1.439 9.384 1.00 0.00 H new ATOM 0 HB1 ALA A 32 15.353 0.507 8.382 1.00 0.00 H new ATOM 0 HB2 ALA A 32 16.182 -1.008 7.952 1.00 0.00 H new ATOM 0 HB3 ALA A 32 15.143 -0.193 6.759 1.00 0.00 H new ATOM 459 N ALA A 33 12.121 -0.640 6.998 1.00 0.00 N ATOM 460 CA ALA A 33 10.851 0.093 6.733 1.00 0.00 C ATOM 461 C ALA A 33 9.666 -0.702 7.284 1.00 0.00 C ATOM 462 O ALA A 33 8.548 -0.566 6.829 1.00 0.00 O ATOM 463 CB ALA A 33 10.766 0.199 5.210 1.00 0.00 C ATOM 0 H ALA A 33 12.411 -1.285 6.263 1.00 0.00 H new ATOM 0 HA ALA A 33 10.828 1.073 7.209 1.00 0.00 H new ATOM 0 HB1 ALA A 33 9.855 0.728 4.932 1.00 0.00 H new ATOM 0 HB2 ALA A 33 11.631 0.745 4.834 1.00 0.00 H new ATOM 0 HB3 ALA A 33 10.751 -0.801 4.776 1.00 0.00 H new ATOM 469 N ASN A 34 9.904 -1.531 8.260 1.00 0.00 N ATOM 470 CA ASN A 34 8.798 -2.340 8.849 1.00 0.00 C ATOM 471 C ASN A 34 7.870 -2.868 7.747 1.00 0.00 C ATOM 472 O ASN A 34 6.771 -2.377 7.546 1.00 0.00 O ATOM 473 CB ASN A 34 8.053 -1.381 9.779 1.00 0.00 C ATOM 474 CG ASN A 34 7.037 -2.165 10.613 1.00 0.00 C ATOM 475 OD1 ASN A 34 6.201 -2.861 10.074 1.00 0.00 O ATOM 476 ND2 ASN A 34 7.079 -2.083 11.915 1.00 0.00 N ATOM 0 H ASN A 34 10.821 -1.685 8.679 1.00 0.00 H new ATOM 0 HA ASN A 34 9.169 -3.214 9.384 1.00 0.00 H new ATOM 0 HB2 ASN A 34 8.759 -0.870 10.433 1.00 0.00 H new ATOM 0 HB3 ASN A 34 7.545 -0.613 9.196 1.00 0.00 H new ATOM 0 HD21 ASN A 34 6.409 -2.604 12.481 1.00 0.00 H new ATOM 0 HD22 ASN A 34 7.782 -1.498 12.367 1.00 0.00 H new ATOM 483 N ILE A 35 8.304 -3.873 7.037 1.00 0.00 N ATOM 484 CA ILE A 35 7.455 -4.450 5.958 1.00 0.00 C ATOM 485 C ILE A 35 7.121 -5.905 6.294 1.00 0.00 C ATOM 486 O ILE A 35 7.994 -6.707 6.560 1.00 0.00 O ATOM 487 CB ILE A 35 8.305 -4.371 4.690 1.00 0.00 C ATOM 488 CG1 ILE A 35 8.410 -2.913 4.236 1.00 0.00 C ATOM 489 CG2 ILE A 35 7.646 -5.199 3.586 1.00 0.00 C ATOM 490 CD1 ILE A 35 9.609 -2.755 3.298 1.00 0.00 C ATOM 0 H ILE A 35 9.213 -4.320 7.158 1.00 0.00 H new ATOM 0 HA ILE A 35 6.511 -3.918 5.839 1.00 0.00 H new ATOM 0 HB ILE A 35 9.302 -4.761 4.895 1.00 0.00 H new ATOM 0 HG12 ILE A 35 7.494 -2.613 3.727 1.00 0.00 H new ATOM 0 HG13 ILE A 35 8.523 -2.259 5.101 1.00 0.00 H new ATOM 0 HG21 ILE A 35 8.250 -5.144 2.680 1.00 0.00 H new ATOM 0 HG22 ILE A 35 7.567 -6.237 3.908 1.00 0.00 H new ATOM 0 HG23 ILE A 35 6.650 -4.806 3.382 1.00 0.00 H new ATOM 0 HD11 ILE A 35 9.684 -1.717 2.975 1.00 0.00 H new ATOM 0 HD12 ILE A 35 10.521 -3.038 3.823 1.00 0.00 H new ATOM 0 HD13 ILE A 35 9.477 -3.397 2.427 1.00 0.00 H new ATOM 502 N ARG A 36 5.864 -6.250 6.296 1.00 0.00 N ATOM 503 CA ARG A 36 5.478 -7.650 6.628 1.00 0.00 C ATOM 504 C ARG A 36 5.174 -8.440 5.354 1.00 0.00 C ATOM 505 O ARG A 36 4.660 -7.910 4.387 1.00 0.00 O ATOM 506 CB ARG A 36 4.220 -7.518 7.488 1.00 0.00 C ATOM 507 CG ARG A 36 4.603 -7.592 8.967 1.00 0.00 C ATOM 508 CD ARG A 36 3.414 -8.118 9.775 1.00 0.00 C ATOM 509 NE ARG A 36 3.238 -7.134 10.880 1.00 0.00 N ATOM 510 CZ ARG A 36 2.043 -6.870 11.333 1.00 0.00 C ATOM 511 NH1 ARG A 36 1.318 -7.821 11.856 1.00 0.00 N ATOM 512 NH2 ARG A 36 1.572 -5.654 11.262 1.00 0.00 N ATOM 0 H ARG A 36 5.088 -5.624 6.082 1.00 0.00 H new ATOM 0 HA ARG A 36 6.276 -8.183 7.145 1.00 0.00 H new ATOM 0 HB2 ARG A 36 3.720 -6.572 7.278 1.00 0.00 H new ATOM 0 HB3 ARG A 36 3.515 -8.312 7.244 1.00 0.00 H new ATOM 0 HG2 ARG A 36 5.464 -8.247 9.099 1.00 0.00 H new ATOM 0 HG3 ARG A 36 4.894 -6.606 9.328 1.00 0.00 H new ATOM 0 HD2 ARG A 36 2.517 -8.186 9.160 1.00 0.00 H new ATOM 0 HD3 ARG A 36 3.611 -9.117 10.163 1.00 0.00 H new ATOM 0 HE ARG A 36 4.051 -6.667 11.282 1.00 0.00 H new ATOM 0 HH11 ARG A 36 1.685 -8.771 11.911 1.00 0.00 H new ATOM 0 HH12 ARG A 36 0.384 -7.614 12.210 1.00 0.00 H new ATOM 0 HH21 ARG A 36 2.138 -4.911 10.853 1.00 0.00 H new ATOM 0 HH22 ARG A 36 0.638 -5.447 11.616 1.00 0.00 H new ATOM 526 N ARG A 37 5.482 -9.708 5.350 1.00 0.00 N ATOM 527 CA ARG A 37 5.205 -10.540 4.146 1.00 0.00 C ATOM 528 C ARG A 37 3.818 -11.177 4.267 1.00 0.00 C ATOM 529 O ARG A 37 3.366 -11.496 5.348 1.00 0.00 O ATOM 530 CB ARG A 37 6.295 -11.613 4.146 1.00 0.00 C ATOM 531 CG ARG A 37 7.375 -11.245 3.127 1.00 0.00 C ATOM 532 CD ARG A 37 8.281 -12.454 2.881 1.00 0.00 C ATOM 533 NE ARG A 37 9.467 -11.907 2.166 1.00 0.00 N ATOM 534 CZ ARG A 37 10.628 -12.490 2.285 1.00 0.00 C ATOM 535 NH1 ARG A 37 11.319 -12.353 3.383 1.00 0.00 N ATOM 536 NH2 ARG A 37 11.099 -13.212 1.304 1.00 0.00 N ATOM 0 H ARG A 37 5.914 -10.204 6.130 1.00 0.00 H new ATOM 0 HA ARG A 37 5.213 -9.959 3.224 1.00 0.00 H new ATOM 0 HB2 ARG A 37 6.733 -11.701 5.140 1.00 0.00 H new ATOM 0 HB3 ARG A 37 5.864 -12.584 3.900 1.00 0.00 H new ATOM 0 HG2 ARG A 37 6.914 -10.927 2.192 1.00 0.00 H new ATOM 0 HG3 ARG A 37 7.964 -10.405 3.494 1.00 0.00 H new ATOM 0 HD2 ARG A 37 8.570 -12.928 3.819 1.00 0.00 H new ATOM 0 HD3 ARG A 37 7.774 -13.212 2.283 1.00 0.00 H new ATOM 0 HE ARG A 37 9.372 -11.076 1.583 1.00 0.00 H new ATOM 0 HH11 ARG A 37 10.952 -11.790 4.150 1.00 0.00 H new ATOM 0 HH12 ARG A 37 12.227 -12.809 3.475 1.00 0.00 H new ATOM 0 HH21 ARG A 37 10.559 -13.320 0.445 1.00 0.00 H new ATOM 0 HH22 ARG A 37 12.007 -13.668 1.397 1.00 0.00 H new ATOM 550 N ALA A 38 3.139 -11.358 3.170 1.00 0.00 N ATOM 551 CA ALA A 38 1.780 -11.968 3.232 1.00 0.00 C ATOM 552 C ALA A 38 1.711 -13.202 2.328 1.00 0.00 C ATOM 553 O ALA A 38 2.429 -13.310 1.354 1.00 0.00 O ATOM 554 CB ALA A 38 0.838 -10.875 2.729 1.00 0.00 C ATOM 0 H ALA A 38 3.464 -11.111 2.235 1.00 0.00 H new ATOM 0 HA ALA A 38 1.519 -12.301 4.236 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -0.188 -11.244 2.743 1.00 0.00 H new ATOM 0 HB2 ALA A 38 0.918 -10.000 3.375 1.00 0.00 H new ATOM 0 HB3 ALA A 38 1.111 -10.600 1.710 1.00 0.00 H new ATOM 560 N SER A 39 0.854 -14.133 2.646 1.00 0.00 N ATOM 561 CA SER A 39 0.738 -15.361 1.808 1.00 0.00 C ATOM 562 C SER A 39 0.784 -14.994 0.323 1.00 0.00 C ATOM 563 O SER A 39 1.190 -15.781 -0.510 1.00 0.00 O ATOM 564 CB SER A 39 -0.621 -15.960 2.169 1.00 0.00 C ATOM 565 OG SER A 39 -0.737 -17.248 1.580 1.00 0.00 O ATOM 0 H SER A 39 0.228 -14.097 3.451 1.00 0.00 H new ATOM 0 HA SER A 39 1.553 -16.062 1.988 1.00 0.00 H new ATOM 0 HB2 SER A 39 -0.724 -16.032 3.252 1.00 0.00 H new ATOM 0 HB3 SER A 39 -1.423 -15.312 1.815 1.00 0.00 H new ATOM 0 HG SER A 39 -1.607 -17.636 1.811 1.00 0.00 H new ATOM 571 N SER A 40 0.373 -13.804 -0.014 1.00 0.00 N ATOM 572 CA SER A 40 0.393 -13.386 -1.445 1.00 0.00 C ATOM 573 C SER A 40 0.065 -11.895 -1.565 1.00 0.00 C ATOM 574 O SER A 40 0.094 -11.162 -0.596 1.00 0.00 O ATOM 575 CB SER A 40 -0.686 -14.228 -2.121 1.00 0.00 C ATOM 576 OG SER A 40 -0.117 -15.454 -2.562 1.00 0.00 O ATOM 0 H SER A 40 0.024 -13.102 0.639 1.00 0.00 H new ATOM 0 HA SER A 40 1.371 -13.534 -1.904 1.00 0.00 H new ATOM 0 HB2 SER A 40 -1.502 -14.422 -1.425 1.00 0.00 H new ATOM 0 HB3 SER A 40 -1.110 -13.686 -2.966 1.00 0.00 H new ATOM 0 HG SER A 40 0.213 -15.958 -1.789 1.00 0.00 H new ATOM 582 N ASP A 41 -0.250 -11.443 -2.746 1.00 0.00 N ATOM 583 CA ASP A 41 -0.581 -10.002 -2.929 1.00 0.00 C ATOM 584 C ASP A 41 -1.865 -9.654 -2.170 1.00 0.00 C ATOM 585 O ASP A 41 -2.198 -8.500 -1.989 1.00 0.00 O ATOM 586 CB ASP A 41 -0.787 -9.833 -4.434 1.00 0.00 C ATOM 587 CG ASP A 41 0.547 -10.029 -5.158 1.00 0.00 C ATOM 588 OD1 ASP A 41 1.491 -10.452 -4.514 1.00 0.00 O ATOM 589 OD2 ASP A 41 0.600 -9.753 -6.345 1.00 0.00 O ATOM 0 H ASP A 41 -0.293 -12.009 -3.593 1.00 0.00 H new ATOM 0 HA ASP A 41 0.201 -9.346 -2.547 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -1.518 -10.556 -4.795 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -1.187 -8.842 -4.648 1.00 0.00 H new ATOM 594 N ASN A 42 -2.590 -10.645 -1.728 1.00 0.00 N ATOM 595 CA ASN A 42 -3.853 -10.370 -0.986 1.00 0.00 C ATOM 596 C ASN A 42 -3.606 -10.396 0.525 1.00 0.00 C ATOM 597 O ASN A 42 -3.481 -11.445 1.125 1.00 0.00 O ATOM 598 CB ASN A 42 -4.804 -11.496 -1.392 1.00 0.00 C ATOM 599 CG ASN A 42 -6.084 -11.411 -0.558 1.00 0.00 C ATOM 600 OD1 ASN A 42 -6.288 -10.458 0.167 1.00 0.00 O ATOM 601 ND2 ASN A 42 -6.961 -12.374 -0.633 1.00 0.00 N ATOM 0 H ASN A 42 -2.363 -11.632 -1.848 1.00 0.00 H new ATOM 0 HA ASN A 42 -4.259 -9.386 -1.220 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -5.043 -11.419 -2.453 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -4.324 -12.463 -1.243 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -7.819 -12.327 -0.083 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -6.789 -13.174 -1.242 1.00 0.00 H new ATOM 608 N HIS A 43 -3.538 -9.250 1.146 1.00 0.00 N ATOM 609 CA HIS A 43 -3.306 -9.209 2.619 1.00 0.00 C ATOM 610 C HIS A 43 -4.055 -8.031 3.243 1.00 0.00 C ATOM 611 O HIS A 43 -4.723 -7.276 2.565 1.00 0.00 O ATOM 612 CB HIS A 43 -1.795 -9.031 2.797 1.00 0.00 C ATOM 613 CG HIS A 43 -1.251 -8.069 1.770 1.00 0.00 C ATOM 614 ND1 HIS A 43 -1.075 -6.717 2.033 1.00 0.00 N ATOM 615 CD2 HIS A 43 -0.808 -8.258 0.484 1.00 0.00 C ATOM 616 CE1 HIS A 43 -0.542 -6.152 0.929 1.00 0.00 C ATOM 617 NE2 HIS A 43 -0.362 -7.050 -0.044 1.00 0.00 N ATOM 0 H HIS A 43 -3.633 -8.339 0.697 1.00 0.00 H new ATOM 0 HA HIS A 43 -3.666 -10.115 3.107 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -1.582 -8.660 3.800 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -1.296 -9.995 2.701 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -0.806 -9.203 -0.039 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -0.292 -5.105 0.843 1.00 0.00 H new ATOM 0 HE2 HIS A 43 0.021 -6.885 -0.975 1.00 0.00 H new ATOM 625 N SER A 44 -3.943 -7.867 4.532 1.00 0.00 N ATOM 626 CA SER A 44 -4.639 -6.733 5.201 1.00 0.00 C ATOM 627 C SER A 44 -3.778 -5.474 5.109 1.00 0.00 C ATOM 628 O SER A 44 -2.591 -5.505 5.367 1.00 0.00 O ATOM 629 CB SER A 44 -4.805 -7.157 6.661 1.00 0.00 C ATOM 630 OG SER A 44 -3.701 -7.964 7.048 1.00 0.00 O ATOM 0 H SER A 44 -3.400 -8.469 5.151 1.00 0.00 H new ATOM 0 HA SER A 44 -5.600 -6.509 4.737 1.00 0.00 H new ATOM 0 HB2 SER A 44 -4.868 -6.277 7.301 1.00 0.00 H new ATOM 0 HB3 SER A 44 -5.736 -7.710 6.787 1.00 0.00 H new ATOM 0 HG SER A 44 -3.966 -8.907 7.039 1.00 0.00 H new ATOM 636 N CYS A 45 -4.359 -4.368 4.742 1.00 0.00 N ATOM 637 CA CYS A 45 -3.559 -3.116 4.638 1.00 0.00 C ATOM 638 C CYS A 45 -4.144 -2.036 5.545 1.00 0.00 C ATOM 639 O CYS A 45 -5.179 -2.212 6.164 1.00 0.00 O ATOM 640 CB CYS A 45 -3.643 -2.696 3.172 1.00 0.00 C ATOM 641 SG CYS A 45 -5.361 -2.788 2.607 1.00 0.00 S ATOM 0 H CYS A 45 -5.348 -4.276 4.510 1.00 0.00 H new ATOM 0 HA CYS A 45 -2.526 -3.266 4.952 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -3.265 -1.681 3.053 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -3.014 -3.344 2.562 1.00 0.00 H new ATOM 646 N ALA A 46 -3.480 -0.920 5.632 1.00 0.00 N ATOM 647 CA ALA A 46 -3.985 0.173 6.510 1.00 0.00 C ATOM 648 C ALA A 46 -4.300 -0.395 7.895 1.00 0.00 C ATOM 649 O ALA A 46 -5.215 0.038 8.564 1.00 0.00 O ATOM 650 CB ALA A 46 -5.259 0.675 5.830 1.00 0.00 C ATOM 0 H ALA A 46 -2.612 -0.716 5.136 1.00 0.00 H new ATOM 0 HA ALA A 46 -3.260 0.976 6.643 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -5.691 1.484 6.419 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -5.019 1.041 4.832 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -5.977 -0.142 5.754 1.00 0.00 H new ATOM 656 N GLY A 47 -3.549 -1.376 8.322 1.00 0.00 N ATOM 657 CA GLY A 47 -3.807 -1.987 9.654 1.00 0.00 C ATOM 658 C GLY A 47 -5.134 -2.742 9.598 1.00 0.00 C ATOM 659 O GLY A 47 -5.489 -3.314 8.586 1.00 0.00 O ATOM 0 H GLY A 47 -2.768 -1.779 7.804 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -2.997 -2.666 9.922 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -3.843 -1.215 10.423 1.00 0.00 H new ATOM 663 N ASN A 48 -5.878 -2.746 10.668 1.00 0.00 N ATOM 664 CA ASN A 48 -7.182 -3.459 10.659 1.00 0.00 C ATOM 665 C ASN A 48 -8.273 -2.548 10.085 1.00 0.00 C ATOM 666 O ASN A 48 -9.382 -2.507 10.580 1.00 0.00 O ATOM 667 CB ASN A 48 -7.468 -3.785 12.125 1.00 0.00 C ATOM 668 CG ASN A 48 -7.266 -5.283 12.363 1.00 0.00 C ATOM 669 OD1 ASN A 48 -7.320 -6.069 11.438 1.00 0.00 O ATOM 670 ND2 ASN A 48 -7.037 -5.714 13.573 1.00 0.00 N ATOM 0 H ASN A 48 -5.639 -2.287 11.547 1.00 0.00 H new ATOM 0 HA ASN A 48 -7.160 -4.358 10.043 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -6.806 -3.210 12.772 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -8.489 -3.500 12.380 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -6.903 -6.711 13.743 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -6.992 -5.054 14.349 1.00 0.00 H new ATOM 677 N ARG A 49 -7.965 -1.809 9.051 1.00 0.00 N ATOM 678 CA ARG A 49 -8.980 -0.896 8.460 1.00 0.00 C ATOM 679 C ARG A 49 -9.376 -1.353 7.055 1.00 0.00 C ATOM 680 O ARG A 49 -10.530 -1.293 6.678 1.00 0.00 O ATOM 681 CB ARG A 49 -8.291 0.466 8.395 1.00 0.00 C ATOM 682 CG ARG A 49 -8.399 1.157 9.753 1.00 0.00 C ATOM 683 CD ARG A 49 -9.111 2.501 9.586 1.00 0.00 C ATOM 684 NE ARG A 49 -10.070 2.572 10.723 1.00 0.00 N ATOM 685 CZ ARG A 49 -11.331 2.297 10.531 1.00 0.00 C ATOM 686 NH1 ARG A 49 -12.036 3.015 9.699 1.00 0.00 N ATOM 687 NH2 ARG A 49 -11.887 1.304 11.169 1.00 0.00 N ATOM 0 H ARG A 49 -7.054 -1.800 8.592 1.00 0.00 H new ATOM 0 HA ARG A 49 -9.896 -0.874 9.051 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -7.243 0.343 8.120 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -8.753 1.082 7.624 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -8.949 0.526 10.451 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -7.406 1.309 10.176 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -8.403 3.329 9.614 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -9.629 2.557 8.629 1.00 0.00 H new ATOM 0 HE ARG A 49 -9.741 2.836 11.652 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -11.601 3.791 9.199 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -13.022 2.800 9.549 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -11.336 0.742 11.818 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -12.873 1.089 11.019 1.00 0.00 H new ATOM 701 N GLY A 50 -8.435 -1.794 6.269 1.00 0.00 N ATOM 702 CA GLY A 50 -8.784 -2.228 4.887 1.00 0.00 C ATOM 703 C GLY A 50 -8.168 -3.593 4.581 1.00 0.00 C ATOM 704 O GLY A 50 -7.382 -4.122 5.341 1.00 0.00 O ATOM 0 H GLY A 50 -7.449 -1.873 6.519 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -9.867 -2.279 4.779 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -8.426 -1.492 4.167 1.00 0.00 H new ATOM 708 N TRP A 51 -8.523 -4.158 3.460 1.00 0.00 N ATOM 709 CA TRP A 51 -7.970 -5.485 3.071 1.00 0.00 C ATOM 710 C TRP A 51 -7.583 -5.459 1.591 1.00 0.00 C ATOM 711 O TRP A 51 -7.788 -4.475 0.911 1.00 0.00 O ATOM 712 CB TRP A 51 -9.113 -6.472 3.306 1.00 0.00 C ATOM 713 CG TRP A 51 -8.939 -7.143 4.630 1.00 0.00 C ATOM 714 CD1 TRP A 51 -9.739 -6.957 5.706 1.00 0.00 C ATOM 715 CD2 TRP A 51 -7.922 -8.103 5.037 1.00 0.00 C ATOM 716 NE1 TRP A 51 -9.278 -7.742 6.747 1.00 0.00 N ATOM 717 CE2 TRP A 51 -8.159 -8.467 6.384 1.00 0.00 C ATOM 718 CE3 TRP A 51 -6.827 -8.687 4.375 1.00 0.00 C ATOM 719 CZ2 TRP A 51 -7.340 -9.379 7.051 1.00 0.00 C ATOM 720 CZ3 TRP A 51 -6.001 -9.605 5.043 1.00 0.00 C ATOM 721 CH2 TRP A 51 -6.256 -9.950 6.377 1.00 0.00 C ATOM 0 H TRP A 51 -9.178 -3.753 2.791 1.00 0.00 H new ATOM 0 HA TRP A 51 -7.080 -5.755 3.639 1.00 0.00 H new ATOM 0 HB2 TRP A 51 -10.069 -5.949 3.276 1.00 0.00 H new ATOM 0 HB3 TRP A 51 -9.132 -7.217 2.510 1.00 0.00 H new ATOM 0 HD1 TRP A 51 -10.597 -6.302 5.745 1.00 0.00 H new ATOM 0 HE1 TRP A 51 -9.711 -7.781 7.670 1.00 0.00 H new ATOM 0 HE3 TRP A 51 -6.620 -8.428 3.347 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 -7.542 -9.642 8.079 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 -5.163 -10.048 4.525 1.00 0.00 H new ATOM 0 HH2 TRP A 51 -5.616 -10.656 6.884 1.00 0.00 H new ATOM 732 N CYS A 52 -7.026 -6.521 1.082 1.00 0.00 N ATOM 733 CA CYS A 52 -6.634 -6.525 -0.356 1.00 0.00 C ATOM 734 C CYS A 52 -7.573 -7.417 -1.175 1.00 0.00 C ATOM 735 O CYS A 52 -7.616 -8.619 -1.000 1.00 0.00 O ATOM 736 CB CYS A 52 -5.218 -7.086 -0.376 1.00 0.00 C ATOM 737 SG CYS A 52 -4.379 -6.547 -1.884 1.00 0.00 S ATOM 0 H CYS A 52 -6.826 -7.381 1.593 1.00 0.00 H new ATOM 0 HA CYS A 52 -6.691 -5.529 -0.795 1.00 0.00 H new ATOM 0 HB2 CYS A 52 -4.668 -6.745 0.501 1.00 0.00 H new ATOM 0 HB3 CYS A 52 -5.246 -8.175 -0.332 1.00 0.00 H new ATOM 742 N ARG A 53 -8.315 -6.833 -2.075 1.00 0.00 N ATOM 743 CA ARG A 53 -9.247 -7.634 -2.921 1.00 0.00 C ATOM 744 C ARG A 53 -9.080 -7.239 -4.390 1.00 0.00 C ATOM 745 O ARG A 53 -8.880 -6.084 -4.708 1.00 0.00 O ATOM 746 CB ARG A 53 -10.648 -7.260 -2.434 1.00 0.00 C ATOM 747 CG ARG A 53 -10.754 -7.479 -0.927 1.00 0.00 C ATOM 748 CD ARG A 53 -11.248 -6.192 -0.271 1.00 0.00 C ATOM 749 NE ARG A 53 -11.269 -6.487 1.188 1.00 0.00 N ATOM 750 CZ ARG A 53 -12.061 -5.818 1.979 1.00 0.00 C ATOM 751 NH1 ARG A 53 -11.693 -4.653 2.439 1.00 0.00 N ATOM 752 NH2 ARG A 53 -13.223 -6.311 2.308 1.00 0.00 N ATOM 0 H ARG A 53 -8.316 -5.830 -2.262 1.00 0.00 H new ATOM 0 HA ARG A 53 -9.059 -8.705 -2.844 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -10.859 -6.218 -2.674 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -11.394 -7.863 -2.951 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -11.441 -8.298 -0.713 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -9.784 -7.761 -0.518 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -10.586 -5.355 -0.495 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -12.239 -5.920 -0.633 1.00 0.00 H new ATOM 0 HE ARG A 53 -10.663 -7.213 1.569 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -10.786 -4.266 2.180 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -12.313 -4.130 3.058 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -13.512 -7.220 1.947 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -13.842 -5.788 2.927 1.00 0.00 H new ATOM 766 N SER A 54 -9.171 -8.177 -5.294 1.00 0.00 N ATOM 767 CA SER A 54 -9.028 -7.821 -6.733 1.00 0.00 C ATOM 768 C SER A 54 -9.912 -6.613 -7.032 1.00 0.00 C ATOM 769 O SER A 54 -9.517 -5.683 -7.707 1.00 0.00 O ATOM 770 CB SER A 54 -9.511 -9.050 -7.502 1.00 0.00 C ATOM 771 OG SER A 54 -9.965 -8.651 -8.789 1.00 0.00 O ATOM 0 H SER A 54 -9.337 -9.165 -5.100 1.00 0.00 H new ATOM 0 HA SER A 54 -8.006 -7.561 -7.008 1.00 0.00 H new ATOM 0 HB2 SER A 54 -8.702 -9.774 -7.598 1.00 0.00 H new ATOM 0 HB3 SER A 54 -10.316 -9.542 -6.956 1.00 0.00 H new ATOM 0 HG SER A 54 -10.274 -9.438 -9.285 1.00 0.00 H new ATOM 777 N LYS A 55 -11.106 -6.625 -6.516 1.00 0.00 N ATOM 778 CA LYS A 55 -12.040 -5.492 -6.733 1.00 0.00 C ATOM 779 C LYS A 55 -12.700 -5.131 -5.393 1.00 0.00 C ATOM 780 O LYS A 55 -12.912 -5.982 -4.552 1.00 0.00 O ATOM 781 CB LYS A 55 -13.052 -6.033 -7.755 1.00 0.00 C ATOM 782 CG LYS A 55 -14.483 -5.662 -7.356 1.00 0.00 C ATOM 783 CD LYS A 55 -15.462 -6.199 -8.402 1.00 0.00 C ATOM 784 CE LYS A 55 -16.428 -5.088 -8.818 1.00 0.00 C ATOM 785 NZ LYS A 55 -16.877 -5.464 -10.188 1.00 0.00 N ATOM 0 H LYS A 55 -11.479 -7.383 -5.945 1.00 0.00 H new ATOM 0 HA LYS A 55 -11.565 -4.581 -7.098 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -12.829 -5.629 -8.742 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -12.959 -7.117 -7.826 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -14.718 -6.078 -6.376 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -14.580 -4.579 -7.274 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -14.916 -6.565 -9.272 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -16.017 -7.044 -7.995 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -17.271 -5.020 -8.131 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -15.936 -4.115 -8.816 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -17.544 -4.749 -10.543 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -16.054 -5.515 -10.821 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -17.348 -6.391 -10.157 1.00 0.00 H new ATOM 799 N CYS A 56 -13.021 -3.885 -5.182 1.00 0.00 N ATOM 800 CA CYS A 56 -13.657 -3.495 -3.889 1.00 0.00 C ATOM 801 C CYS A 56 -15.166 -3.309 -4.073 1.00 0.00 C ATOM 802 O CYS A 56 -15.654 -3.161 -5.175 1.00 0.00 O ATOM 803 CB CYS A 56 -12.997 -2.173 -3.486 1.00 0.00 C ATOM 804 SG CYS A 56 -11.211 -2.263 -3.777 1.00 0.00 S ATOM 0 H CYS A 56 -12.872 -3.123 -5.843 1.00 0.00 H new ATOM 0 HA CYS A 56 -13.521 -4.260 -3.124 1.00 0.00 H new ATOM 0 HB2 CYS A 56 -13.427 -1.352 -4.060 1.00 0.00 H new ATOM 0 HB3 CYS A 56 -13.193 -1.964 -2.434 1.00 0.00 H new ATOM 809 N PHE A 57 -15.908 -3.320 -2.999 1.00 0.00 N ATOM 810 CA PHE A 57 -17.383 -3.148 -3.105 1.00 0.00 C ATOM 811 C PHE A 57 -17.739 -1.669 -3.270 1.00 0.00 C ATOM 812 O PHE A 57 -16.914 -0.797 -3.076 1.00 0.00 O ATOM 813 CB PHE A 57 -17.933 -3.685 -1.785 1.00 0.00 C ATOM 814 CG PHE A 57 -17.314 -5.031 -1.494 1.00 0.00 C ATOM 815 CD1 PHE A 57 -17.391 -6.057 -2.443 1.00 0.00 C ATOM 816 CD2 PHE A 57 -16.663 -5.252 -0.274 1.00 0.00 C ATOM 817 CE1 PHE A 57 -16.817 -7.305 -2.172 1.00 0.00 C ATOM 818 CE2 PHE A 57 -16.089 -6.500 -0.004 1.00 0.00 C ATOM 819 CZ PHE A 57 -16.165 -7.527 -0.953 1.00 0.00 C ATOM 0 H PHE A 57 -15.554 -3.441 -2.050 1.00 0.00 H new ATOM 0 HA PHE A 57 -17.798 -3.669 -3.968 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -17.712 -2.988 -0.976 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -19.018 -3.776 -1.840 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -17.893 -5.886 -3.384 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -16.604 -4.460 0.458 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -16.877 -8.097 -2.904 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -15.587 -6.671 0.937 1.00 0.00 H new ATOM 0 HZ PHE A 57 -15.721 -8.489 -0.745 1.00 0.00 H new ATOM 829 N ARG A 58 -18.959 -1.379 -3.627 1.00 0.00 N ATOM 830 CA ARG A 58 -19.367 0.041 -3.805 1.00 0.00 C ATOM 831 C ARG A 58 -19.353 0.766 -2.461 1.00 0.00 C ATOM 832 O ARG A 58 -18.946 1.907 -2.365 1.00 0.00 O ATOM 833 CB ARG A 58 -20.786 -0.023 -4.367 1.00 0.00 C ATOM 834 CG ARG A 58 -21.036 1.187 -5.269 1.00 0.00 C ATOM 835 CD ARG A 58 -22.049 0.816 -6.355 1.00 0.00 C ATOM 836 NE ARG A 58 -21.240 0.642 -7.592 1.00 0.00 N ATOM 837 CZ ARG A 58 -21.832 0.558 -8.753 1.00 0.00 C ATOM 838 NH1 ARG A 58 -22.391 -0.561 -9.122 1.00 0.00 N ATOM 839 NH2 ARG A 58 -21.864 1.595 -9.544 1.00 0.00 N ATOM 0 H ARG A 58 -19.692 -2.066 -3.803 1.00 0.00 H new ATOM 0 HA ARG A 58 -18.692 0.586 -4.465 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -20.923 -0.945 -4.932 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -21.510 -0.038 -3.552 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -21.411 2.023 -4.678 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -20.101 1.513 -5.725 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -22.583 -0.099 -6.101 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -22.798 1.598 -6.480 1.00 0.00 H new ATOM 0 HE ARG A 58 -20.223 0.588 -7.533 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -22.366 -1.372 -8.504 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -22.853 -0.625 -10.029 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -21.427 2.470 -9.255 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -22.326 1.530 -10.451 1.00 0.00 H new ATOM 853 N HIS A 59 -19.787 0.113 -1.421 1.00 0.00 N ATOM 854 CA HIS A 59 -19.788 0.768 -0.082 1.00 0.00 C ATOM 855 C HIS A 59 -18.353 1.077 0.348 1.00 0.00 C ATOM 856 O HIS A 59 -18.120 1.766 1.321 1.00 0.00 O ATOM 857 CB HIS A 59 -20.424 -0.255 0.860 1.00 0.00 C ATOM 858 CG HIS A 59 -20.646 0.376 2.207 1.00 0.00 C ATOM 859 ND1 HIS A 59 -19.669 0.380 3.191 1.00 0.00 N ATOM 860 CD2 HIS A 59 -21.725 1.028 2.749 1.00 0.00 C ATOM 861 CE1 HIS A 59 -20.176 1.015 4.263 1.00 0.00 C ATOM 862 NE2 HIS A 59 -21.427 1.430 4.048 1.00 0.00 N ATOM 0 H HIS A 59 -20.141 -0.844 -1.438 1.00 0.00 H new ATOM 0 HA HIS A 59 -20.333 1.712 -0.081 1.00 0.00 H new ATOM 0 HB2 HIS A 59 -21.371 -0.604 0.449 1.00 0.00 H new ATOM 0 HB3 HIS A 59 -19.778 -1.127 0.957 1.00 0.00 H new ATOM 0 HD2 HIS A 59 -22.664 1.203 2.244 1.00 0.00 H new ATOM 0 HE1 HIS A 59 -19.637 1.170 5.186 1.00 0.00 H new ATOM 0 HE2 HIS A 59 -22.033 1.933 4.696 1.00 0.00 H new ATOM 870 N GLU A 60 -17.386 0.570 -0.370 1.00 0.00 N ATOM 871 CA GLU A 60 -15.969 0.831 -0.006 1.00 0.00 C ATOM 872 C GLU A 60 -15.218 1.395 -1.215 1.00 0.00 C ATOM 873 O GLU A 60 -15.774 1.545 -2.284 1.00 0.00 O ATOM 874 CB GLU A 60 -15.414 -0.539 0.377 1.00 0.00 C ATOM 875 CG GLU A 60 -15.764 -0.844 1.835 1.00 0.00 C ATOM 876 CD GLU A 60 -14.672 -1.719 2.451 1.00 0.00 C ATOM 877 OE1 GLU A 60 -13.762 -2.093 1.729 1.00 0.00 O ATOM 878 OE2 GLU A 60 -14.762 -2.001 3.635 1.00 0.00 O ATOM 0 H GLU A 60 -17.520 -0.015 -1.195 1.00 0.00 H new ATOM 0 HA GLU A 60 -15.867 1.556 0.801 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -15.830 -1.307 -0.276 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -14.333 -0.556 0.241 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -15.862 0.084 2.398 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -16.726 -1.353 1.890 1.00 0.00 H new ATOM 885 N TYR A 61 -13.958 1.697 -1.061 1.00 0.00 N ATOM 886 CA TYR A 61 -13.185 2.237 -2.217 1.00 0.00 C ATOM 887 C TYR A 61 -11.875 1.476 -2.380 1.00 0.00 C ATOM 888 O TYR A 61 -11.651 0.455 -1.760 1.00 0.00 O ATOM 889 CB TYR A 61 -12.906 3.710 -1.896 1.00 0.00 C ATOM 890 CG TYR A 61 -12.027 3.826 -0.669 1.00 0.00 C ATOM 891 CD1 TYR A 61 -12.546 3.526 0.595 1.00 0.00 C ATOM 892 CD2 TYR A 61 -10.695 4.250 -0.795 1.00 0.00 C ATOM 893 CE1 TYR A 61 -11.738 3.644 1.733 1.00 0.00 C ATOM 894 CE2 TYR A 61 -9.889 4.370 0.346 1.00 0.00 C ATOM 895 CZ TYR A 61 -10.411 4.067 1.607 1.00 0.00 C ATOM 896 OH TYR A 61 -9.616 4.186 2.729 1.00 0.00 O ATOM 0 H TYR A 61 -13.433 1.595 -0.193 1.00 0.00 H new ATOM 0 HA TYR A 61 -13.741 2.132 -3.149 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -12.419 4.188 -2.746 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -13.846 4.237 -1.729 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -13.572 3.203 0.694 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -10.292 4.483 -1.769 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -12.140 3.408 2.707 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -8.864 4.697 0.251 1.00 0.00 H new ATOM 0 HH TYR A 61 -8.757 3.741 2.570 1.00 0.00 H new ATOM 906 N VAL A 62 -11.008 1.972 -3.210 1.00 0.00 N ATOM 907 CA VAL A 62 -9.703 1.290 -3.421 1.00 0.00 C ATOM 908 C VAL A 62 -8.577 2.143 -2.839 1.00 0.00 C ATOM 909 O VAL A 62 -7.995 2.958 -3.523 1.00 0.00 O ATOM 910 CB VAL A 62 -9.557 1.172 -4.939 1.00 0.00 C ATOM 911 CG1 VAL A 62 -8.121 0.781 -5.286 1.00 0.00 C ATOM 912 CG2 VAL A 62 -10.517 0.098 -5.461 1.00 0.00 C ATOM 0 H VAL A 62 -11.145 2.823 -3.755 1.00 0.00 H new ATOM 0 HA VAL A 62 -9.657 0.316 -2.934 1.00 0.00 H new ATOM 0 HB VAL A 62 -9.794 2.130 -5.402 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -8.018 0.697 -6.368 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -7.436 1.543 -4.914 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -7.883 -0.177 -4.824 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -10.414 0.013 -6.543 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -10.279 -0.859 -4.997 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -11.542 0.375 -5.215 1.00 0.00 H new ATOM 922 N ASP A 63 -8.279 1.965 -1.577 1.00 0.00 N ATOM 923 CA ASP A 63 -7.195 2.768 -0.934 1.00 0.00 C ATOM 924 C ASP A 63 -6.028 2.963 -1.902 1.00 0.00 C ATOM 925 O ASP A 63 -5.121 2.158 -1.971 1.00 0.00 O ATOM 926 CB ASP A 63 -6.755 1.946 0.277 1.00 0.00 C ATOM 927 CG ASP A 63 -6.225 2.882 1.366 1.00 0.00 C ATOM 928 OD1 ASP A 63 -5.261 3.581 1.100 1.00 0.00 O ATOM 929 OD2 ASP A 63 -6.793 2.884 2.445 1.00 0.00 O ATOM 0 H ASP A 63 -8.742 1.296 -0.962 1.00 0.00 H new ATOM 0 HA ASP A 63 -7.537 3.763 -0.649 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -7.594 1.365 0.659 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -5.982 1.235 -0.014 1.00 0.00 H new ATOM 934 N THR A 64 -6.049 4.030 -2.650 1.00 0.00 N ATOM 935 CA THR A 64 -4.943 4.281 -3.620 1.00 0.00 C ATOM 936 C THR A 64 -3.601 4.308 -2.889 1.00 0.00 C ATOM 937 O THR A 64 -2.572 3.973 -3.442 1.00 0.00 O ATOM 938 CB THR A 64 -5.249 5.651 -4.225 1.00 0.00 C ATOM 939 OG1 THR A 64 -5.873 6.471 -3.247 1.00 0.00 O ATOM 940 CG2 THR A 64 -6.178 5.486 -5.426 1.00 0.00 C ATOM 0 H THR A 64 -6.782 4.739 -2.633 1.00 0.00 H new ATOM 0 HA THR A 64 -4.877 3.505 -4.382 1.00 0.00 H new ATOM 0 HB THR A 64 -4.320 6.119 -4.551 1.00 0.00 H new ATOM 0 HG1 THR A 64 -6.833 6.532 -3.435 1.00 0.00 H new ATOM 0 HG21 THR A 64 -6.395 6.464 -5.855 1.00 0.00 H new ATOM 0 HG22 THR A 64 -5.695 4.859 -6.176 1.00 0.00 H new ATOM 0 HG23 THR A 64 -7.108 5.017 -5.105 1.00 0.00 H new ATOM 948 N TYR A 65 -3.607 4.707 -1.650 1.00 0.00 N ATOM 949 CA TYR A 65 -2.338 4.764 -0.873 1.00 0.00 C ATOM 950 C TYR A 65 -1.809 3.355 -0.610 1.00 0.00 C ATOM 951 O TYR A 65 -0.670 3.044 -0.892 1.00 0.00 O ATOM 952 CB TYR A 65 -2.720 5.434 0.444 1.00 0.00 C ATOM 953 CG TYR A 65 -1.474 5.738 1.241 1.00 0.00 C ATOM 954 CD1 TYR A 65 -0.967 4.785 2.133 1.00 0.00 C ATOM 955 CD2 TYR A 65 -0.828 6.970 1.091 1.00 0.00 C ATOM 956 CE1 TYR A 65 0.187 5.066 2.874 1.00 0.00 C ATOM 957 CE2 TYR A 65 0.325 7.251 1.833 1.00 0.00 C ATOM 958 CZ TYR A 65 0.833 6.298 2.725 1.00 0.00 C ATOM 959 OH TYR A 65 1.970 6.575 3.457 1.00 0.00 O ATOM 0 H TYR A 65 -4.440 4.998 -1.138 1.00 0.00 H new ATOM 0 HA TYR A 65 -1.555 5.304 -1.405 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -3.272 6.354 0.249 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -3.380 4.782 1.017 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -1.466 3.834 2.249 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -1.219 7.704 0.402 1.00 0.00 H new ATOM 0 HE1 TYR A 65 0.579 4.331 3.561 1.00 0.00 H new ATOM 0 HE2 TYR A 65 0.823 8.202 1.718 1.00 0.00 H new ATOM 0 HH TYR A 65 2.293 7.473 3.233 1.00 0.00 H new ATOM 969 N TYR A 66 -2.626 2.506 -0.052 1.00 0.00 N ATOM 970 CA TYR A 66 -2.167 1.120 0.252 1.00 0.00 C ATOM 971 C TYR A 66 -2.203 0.230 -0.996 1.00 0.00 C ATOM 972 O TYR A 66 -1.780 -0.911 -0.967 1.00 0.00 O ATOM 973 CB TYR A 66 -3.129 0.609 1.321 1.00 0.00 C ATOM 974 CG TYR A 66 -2.582 0.980 2.677 1.00 0.00 C ATOM 975 CD1 TYR A 66 -1.414 0.367 3.148 1.00 0.00 C ATOM 976 CD2 TYR A 66 -3.231 1.944 3.457 1.00 0.00 C ATOM 977 CE1 TYR A 66 -0.897 0.716 4.400 1.00 0.00 C ATOM 978 CE2 TYR A 66 -2.714 2.292 4.711 1.00 0.00 C ATOM 979 CZ TYR A 66 -1.547 1.679 5.182 1.00 0.00 C ATOM 980 OH TYR A 66 -1.037 2.023 6.417 1.00 0.00 O ATOM 0 H TYR A 66 -3.591 2.711 0.207 1.00 0.00 H new ATOM 0 HA TYR A 66 -1.132 1.105 0.594 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -4.118 1.045 1.180 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -3.243 -0.472 1.242 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -0.913 -0.375 2.545 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -4.130 2.419 3.092 1.00 0.00 H new ATOM 0 HE1 TYR A 66 0.003 0.243 4.764 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -3.216 3.034 5.315 1.00 0.00 H new ATOM 0 HH TYR A 66 -1.607 2.706 6.828 1.00 0.00 H new ATOM 990 N SER A 67 -2.689 0.738 -2.096 1.00 0.00 N ATOM 991 CA SER A 67 -2.727 -0.091 -3.336 1.00 0.00 C ATOM 992 C SER A 67 -1.311 -0.565 -3.682 1.00 0.00 C ATOM 993 O SER A 67 -1.122 -1.480 -4.463 1.00 0.00 O ATOM 994 CB SER A 67 -3.260 0.847 -4.418 1.00 0.00 C ATOM 995 OG SER A 67 -4.503 0.351 -4.899 1.00 0.00 O ATOM 0 H SER A 67 -3.059 1.684 -2.190 1.00 0.00 H new ATOM 0 HA SER A 67 -3.348 -0.981 -3.230 1.00 0.00 H new ATOM 0 HB2 SER A 67 -3.388 1.851 -4.014 1.00 0.00 H new ATOM 0 HB3 SER A 67 -2.544 0.921 -5.236 1.00 0.00 H new ATOM 0 HG SER A 67 -4.849 0.951 -5.592 1.00 0.00 H new ATOM 1001 N ALA A 68 -0.314 0.057 -3.108 1.00 0.00 N ATOM 1002 CA ALA A 68 1.094 -0.342 -3.399 1.00 0.00 C ATOM 1003 C ALA A 68 1.437 -1.677 -2.727 1.00 0.00 C ATOM 1004 O ALA A 68 2.013 -2.555 -3.337 1.00 0.00 O ATOM 1005 CB ALA A 68 1.951 0.786 -2.824 1.00 0.00 C ATOM 0 H ALA A 68 -0.416 0.827 -2.447 1.00 0.00 H new ATOM 0 HA ALA A 68 1.263 -0.484 -4.466 1.00 0.00 H new ATOM 0 HB1 ALA A 68 3.005 0.567 -2.998 1.00 0.00 H new ATOM 0 HB2 ALA A 68 1.690 1.726 -3.311 1.00 0.00 H new ATOM 0 HB3 ALA A 68 1.770 0.870 -1.752 1.00 0.00 H new ATOM 1011 N VAL A 69 1.088 -1.844 -1.478 1.00 0.00 N ATOM 1012 CA VAL A 69 1.402 -3.131 -0.793 1.00 0.00 C ATOM 1013 C VAL A 69 0.499 -4.231 -1.345 1.00 0.00 C ATOM 1014 O VAL A 69 0.845 -5.395 -1.340 1.00 0.00 O ATOM 1015 CB VAL A 69 1.143 -2.888 0.703 1.00 0.00 C ATOM 1016 CG1 VAL A 69 -0.353 -2.776 0.980 1.00 0.00 C ATOM 1017 CG2 VAL A 69 1.720 -4.045 1.515 1.00 0.00 C ATOM 0 H VAL A 69 0.603 -1.151 -0.908 1.00 0.00 H new ATOM 0 HA VAL A 69 2.432 -3.450 -0.954 1.00 0.00 H new ATOM 0 HB VAL A 69 1.625 -1.954 0.991 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -0.514 -2.604 2.044 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -0.767 -1.943 0.411 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -0.848 -3.700 0.683 1.00 0.00 H new ATOM 0 HG21 VAL A 69 1.536 -3.872 2.575 1.00 0.00 H new ATOM 0 HG22 VAL A 69 1.243 -4.977 1.211 1.00 0.00 H new ATOM 0 HG23 VAL A 69 2.794 -4.113 1.339 1.00 0.00 H new ATOM 1027 N CYS A 70 -0.651 -3.865 -1.838 1.00 0.00 N ATOM 1028 CA CYS A 70 -1.574 -4.886 -2.408 1.00 0.00 C ATOM 1029 C CYS A 70 -0.944 -5.519 -3.652 1.00 0.00 C ATOM 1030 O CYS A 70 -0.867 -6.725 -3.774 1.00 0.00 O ATOM 1031 CB CYS A 70 -2.836 -4.110 -2.778 1.00 0.00 C ATOM 1032 SG CYS A 70 -4.163 -4.556 -1.634 1.00 0.00 S ATOM 0 H CYS A 70 -0.992 -2.904 -1.871 1.00 0.00 H new ATOM 0 HA CYS A 70 -1.786 -5.696 -1.710 1.00 0.00 H new ATOM 0 HB2 CYS A 70 -2.645 -3.038 -2.732 1.00 0.00 H new ATOM 0 HB3 CYS A 70 -3.131 -4.338 -3.802 1.00 0.00 H new ATOM 1037 N GLY A 71 -0.487 -4.713 -4.574 1.00 0.00 N ATOM 1038 CA GLY A 71 0.142 -5.270 -5.806 1.00 0.00 C ATOM 1039 C GLY A 71 -0.938 -5.592 -6.841 1.00 0.00 C ATOM 1040 O GLY A 71 -1.796 -4.780 -7.127 1.00 0.00 O ATOM 0 H GLY A 71 -0.522 -3.695 -4.527 1.00 0.00 H new ATOM 0 HA2 GLY A 71 0.852 -4.553 -6.219 1.00 0.00 H new ATOM 0 HA3 GLY A 71 0.705 -6.171 -5.562 1.00 0.00 H new ATOM 1044 N ARG A 72 -0.902 -6.768 -7.403 1.00 0.00 N ATOM 1045 CA ARG A 72 -1.929 -7.139 -8.419 1.00 0.00 C ATOM 1046 C ARG A 72 -3.323 -6.801 -7.893 1.00 0.00 C ATOM 1047 O ARG A 72 -4.208 -6.429 -8.638 1.00 0.00 O ATOM 1048 CB ARG A 72 -1.777 -8.649 -8.606 1.00 0.00 C ATOM 1049 CG ARG A 72 -1.036 -8.930 -9.913 1.00 0.00 C ATOM 1050 CD ARG A 72 0.361 -9.471 -9.602 1.00 0.00 C ATOM 1051 NE ARG A 72 0.553 -10.601 -10.551 1.00 0.00 N ATOM 1052 CZ ARG A 72 0.911 -10.362 -11.782 1.00 0.00 C ATOM 1053 NH1 ARG A 72 1.857 -9.500 -12.032 1.00 0.00 N ATOM 1054 NH2 ARG A 72 0.322 -10.986 -12.765 1.00 0.00 N ATOM 0 H ARG A 72 -0.207 -7.488 -7.204 1.00 0.00 H new ATOM 0 HA ARG A 72 -1.800 -6.601 -9.358 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -1.229 -9.077 -7.766 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -2.758 -9.124 -8.622 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -1.592 -9.652 -10.511 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -0.961 -8.017 -10.504 1.00 0.00 H new ATOM 0 HD2 ARG A 72 1.122 -8.704 -9.742 1.00 0.00 H new ATOM 0 HD3 ARG A 72 0.434 -9.807 -8.568 1.00 0.00 H new ATOM 0 HE ARG A 72 0.405 -11.561 -10.239 1.00 0.00 H new ATOM 0 HH11 ARG A 72 2.318 -9.012 -11.264 1.00 0.00 H new ATOM 0 HH12 ARG A 72 2.136 -9.314 -12.995 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -0.418 -11.660 -12.570 1.00 0.00 H new ATOM 0 HH22 ARG A 72 0.602 -10.799 -13.728 1.00 0.00 H new ATOM 1068 N TYR A 73 -3.521 -6.924 -6.611 1.00 0.00 N ATOM 1069 CA TYR A 73 -4.855 -6.607 -6.028 1.00 0.00 C ATOM 1070 C TYR A 73 -4.887 -5.149 -5.566 1.00 0.00 C ATOM 1071 O TYR A 73 -3.933 -4.414 -5.729 1.00 0.00 O ATOM 1072 CB TYR A 73 -5.001 -7.549 -4.832 1.00 0.00 C ATOM 1073 CG TYR A 73 -5.284 -8.950 -5.319 1.00 0.00 C ATOM 1074 CD1 TYR A 73 -4.361 -9.607 -6.141 1.00 0.00 C ATOM 1075 CD2 TYR A 73 -6.469 -9.595 -4.942 1.00 0.00 C ATOM 1076 CE1 TYR A 73 -4.623 -10.907 -6.589 1.00 0.00 C ATOM 1077 CE2 TYR A 73 -6.731 -10.895 -5.391 1.00 0.00 C ATOM 1078 CZ TYR A 73 -5.808 -11.550 -6.214 1.00 0.00 C ATOM 1079 OH TYR A 73 -6.066 -12.833 -6.655 1.00 0.00 O ATOM 0 H TYR A 73 -2.816 -7.231 -5.940 1.00 0.00 H new ATOM 0 HA TYR A 73 -5.664 -6.736 -6.747 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -4.089 -7.538 -4.235 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -5.809 -7.208 -4.185 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -3.446 -9.111 -6.430 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -7.180 -9.090 -4.305 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -3.911 -11.414 -7.224 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -7.645 -11.392 -5.102 1.00 0.00 H new ATOM 0 HH TYR A 73 -6.930 -13.132 -6.303 1.00 0.00 H new ATOM 1089 N PHE A 74 -5.975 -4.724 -4.986 1.00 0.00 N ATOM 1090 CA PHE A 74 -6.062 -3.315 -4.508 1.00 0.00 C ATOM 1091 C PHE A 74 -6.470 -3.291 -3.036 1.00 0.00 C ATOM 1092 O PHE A 74 -7.297 -4.064 -2.601 1.00 0.00 O ATOM 1093 CB PHE A 74 -7.144 -2.663 -5.368 1.00 0.00 C ATOM 1094 CG PHE A 74 -6.922 -3.013 -6.819 1.00 0.00 C ATOM 1095 CD1 PHE A 74 -7.237 -4.294 -7.284 1.00 0.00 C ATOM 1096 CD2 PHE A 74 -6.406 -2.054 -7.698 1.00 0.00 C ATOM 1097 CE1 PHE A 74 -7.037 -4.619 -8.630 1.00 0.00 C ATOM 1098 CE2 PHE A 74 -6.205 -2.378 -9.045 1.00 0.00 C ATOM 1099 CZ PHE A 74 -6.520 -3.660 -9.512 1.00 0.00 C ATOM 0 H PHE A 74 -6.807 -5.291 -4.822 1.00 0.00 H new ATOM 0 HA PHE A 74 -5.109 -2.792 -4.591 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -8.129 -3.003 -5.049 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -7.122 -1.581 -5.238 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -7.635 -5.033 -6.604 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -6.163 -1.065 -7.338 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -7.281 -5.608 -8.989 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -5.807 -1.639 -9.724 1.00 0.00 H new ATOM 0 HZ PHE A 74 -6.365 -3.910 -10.551 1.00 0.00 H new ATOM 1109 N CYS A 75 -5.899 -2.412 -2.264 1.00 0.00 N ATOM 1110 CA CYS A 75 -6.266 -2.350 -0.823 1.00 0.00 C ATOM 1111 C CYS A 75 -7.586 -1.597 -0.663 1.00 0.00 C ATOM 1112 O CYS A 75 -7.618 -0.384 -0.640 1.00 0.00 O ATOM 1113 CB CYS A 75 -5.123 -1.585 -0.155 1.00 0.00 C ATOM 1114 SG CYS A 75 -5.617 -1.106 1.520 1.00 0.00 S ATOM 0 H CYS A 75 -5.197 -1.736 -2.566 1.00 0.00 H new ATOM 0 HA CYS A 75 -6.401 -3.337 -0.380 1.00 0.00 H new ATOM 0 HB2 CYS A 75 -4.228 -2.206 -0.118 1.00 0.00 H new ATOM 0 HB3 CYS A 75 -4.873 -0.700 -0.739 1.00 0.00 H new ATOM 1119 N CYS A 76 -8.679 -2.303 -0.559 1.00 0.00 N ATOM 1120 CA CYS A 76 -9.991 -1.614 -0.414 1.00 0.00 C ATOM 1121 C CYS A 76 -10.184 -1.152 1.030 1.00 0.00 C ATOM 1122 O CYS A 76 -9.501 -1.594 1.934 1.00 0.00 O ATOM 1123 CB CYS A 76 -11.041 -2.657 -0.794 1.00 0.00 C ATOM 1124 SG CYS A 76 -10.544 -3.490 -2.322 1.00 0.00 S ATOM 0 H CYS A 76 -8.720 -3.322 -0.568 1.00 0.00 H new ATOM 0 HA CYS A 76 -10.062 -0.727 -1.044 1.00 0.00 H new ATOM 0 HB2 CYS A 76 -11.152 -3.385 0.009 1.00 0.00 H new ATOM 0 HB3 CYS A 76 -12.011 -2.179 -0.928 1.00 0.00 H new ATOM 1129 N ARG A 77 -11.104 -0.257 1.248 1.00 0.00 N ATOM 1130 CA ARG A 77 -11.339 0.251 2.628 1.00 0.00 C ATOM 1131 C ARG A 77 -12.782 0.735 2.775 1.00 0.00 C ATOM 1132 O ARG A 77 -13.601 0.562 1.893 1.00 0.00 O ATOM 1133 CB ARG A 77 -10.371 1.424 2.774 1.00 0.00 C ATOM 1134 CG ARG A 77 -9.110 0.968 3.503 1.00 0.00 C ATOM 1135 CD ARG A 77 -9.363 0.976 5.008 1.00 0.00 C ATOM 1136 NE ARG A 77 -9.863 2.343 5.298 1.00 0.00 N ATOM 1137 CZ ARG A 77 -10.825 2.521 6.162 1.00 0.00 C ATOM 1138 NH1 ARG A 77 -11.073 1.607 7.060 1.00 0.00 N ATOM 1139 NH2 ARG A 77 -11.540 3.613 6.128 1.00 0.00 N ATOM 0 H ARG A 77 -11.705 0.146 0.529 1.00 0.00 H new ATOM 0 HA ARG A 77 -11.182 -0.516 3.386 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -10.111 1.817 1.791 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -10.848 2.234 3.326 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -8.829 -0.033 3.176 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -8.277 1.628 3.260 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -10.094 0.219 5.291 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -8.450 0.762 5.564 1.00 0.00 H new ATOM 0 HE ARG A 77 -9.454 3.146 4.821 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -10.515 0.754 7.087 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -11.825 1.746 7.735 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -11.347 4.327 5.426 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -12.292 3.752 6.803 1.00 0.00 H new ATOM 1153 N SER A 78 -13.099 1.348 3.882 1.00 0.00 N ATOM 1154 CA SER A 78 -14.487 1.849 4.087 1.00 0.00 C ATOM 1155 C SER A 78 -14.473 3.365 4.299 1.00 0.00 C ATOM 1156 O SER A 78 -14.532 3.847 5.413 1.00 0.00 O ATOM 1157 CB SER A 78 -14.982 1.136 5.345 1.00 0.00 C ATOM 1158 OG SER A 78 -14.035 1.318 6.390 1.00 0.00 O ATOM 0 H SER A 78 -12.456 1.524 4.654 1.00 0.00 H new ATOM 0 HA SER A 78 -15.130 1.654 3.229 1.00 0.00 H new ATOM 0 HB2 SER A 78 -15.952 1.533 5.644 1.00 0.00 H new ATOM 0 HB3 SER A 78 -15.120 0.074 5.145 1.00 0.00 H new ATOM 0 HG SER A 78 -13.833 2.272 6.486 1.00 0.00 H new ATOM 1164 N ARG A 79 -14.397 4.122 3.239 1.00 0.00 N ATOM 1165 CA ARG A 79 -14.378 5.606 3.383 1.00 0.00 C ATOM 1166 C ARG A 79 -15.633 6.081 4.121 1.00 0.00 C ATOM 1167 O ARG A 79 -15.580 7.145 4.715 1.00 0.00 O ATOM 1168 CB ARG A 79 -14.363 6.144 1.951 1.00 0.00 C ATOM 1169 CG ARG A 79 -13.618 7.480 1.917 1.00 0.00 C ATOM 1170 CD ARG A 79 -14.495 8.537 1.242 1.00 0.00 C ATOM 1171 NE ARG A 79 -14.073 8.533 -0.186 1.00 0.00 N ATOM 1172 CZ ARG A 79 -14.949 8.295 -1.125 1.00 0.00 C ATOM 1173 NH1 ARG A 79 -16.157 8.780 -1.028 1.00 0.00 N ATOM 1174 NH2 ARG A 79 -14.617 7.573 -2.160 1.00 0.00 N ATOM 1175 OXT ARG A 79 -16.624 5.371 4.080 1.00 0.00 O ATOM 0 H ARG A 79 -14.347 3.778 2.280 1.00 0.00 H new ATOM 0 HA ARG A 79 -13.520 5.954 3.958 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -13.879 5.428 1.287 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -15.383 6.275 1.589 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -13.366 7.794 2.930 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -12.679 7.371 1.375 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -15.553 8.294 1.342 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -14.349 9.518 1.694 1.00 0.00 H new ATOM 0 HE ARG A 79 -13.100 8.716 -0.431 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -16.416 9.345 -0.219 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -16.841 8.594 -1.761 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -13.673 7.194 -2.236 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -15.302 7.387 -2.893 1.00 0.00 H new