USER MOD reduce.3.24.130724 H: found=0, std=0, add=694, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 564 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 14 CYS SG : rot -79:sc= -6.01! USER MOD Single : A 22 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 23 GLN : amide:sc= -0.0133 K(o=-0.013,f=-0.59) USER MOD Single : A 25 ASN : amide:sc= -0.0294 X(o=-0.029,f=-0.025) USER MOD Single : A 36 SER OG : rot 44:sc= 0.905 USER MOD Single : A 38 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.021) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 TYR OH : rot 180:sc= -1.65 USER MOD Single : A 49 HIS : no HD1:sc= -0.03 X(o=-0.03,f=-0.18) USER MOD Single : A 50 TYR OH : rot 110:sc= -1.23 USER MOD Single : A 54 ASN : amide:sc= 1.02 K(o=1,f=-0.65) USER MOD Single : A 62 THR OG1 : rot 180:sc= -1.19 USER MOD Single : A 63 HIS : no HD1:sc= -3.16! K(o=-3.2!,f=-1.6) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.109) USER MOD Single : A 72 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 THR OG1 : rot 180:sc= -1.37 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 18.706 -14.057 -0.373 1.00 0.00 N ATOM 2 CA GLY A 1 18.600 -12.656 -0.004 1.00 0.00 C ATOM 3 C GLY A 1 17.917 -12.497 1.356 1.00 0.00 C ATOM 4 O GLY A 1 16.812 -11.964 1.441 1.00 0.00 O ATOM 0 H1 GLY A 1 19.173 -14.138 -1.299 1.00 0.00 H new ATOM 0 H2 GLY A 1 19.266 -14.563 0.342 1.00 0.00 H new ATOM 0 H3 GLY A 1 17.755 -14.475 -0.427 1.00 0.00 H new ATOM 0 HA2 GLY A 1 19.594 -12.209 0.030 1.00 0.00 H new ATOM 0 HA3 GLY A 1 18.034 -12.118 -0.764 1.00 0.00 H new ATOM 8 N SER A 2 18.604 -12.969 2.386 1.00 0.00 N ATOM 9 CA SER A 2 18.077 -12.886 3.737 1.00 0.00 C ATOM 10 C SER A 2 18.114 -11.435 4.225 1.00 0.00 C ATOM 11 O SER A 2 19.178 -10.914 4.556 1.00 0.00 O ATOM 12 CB SER A 2 18.865 -13.786 4.692 1.00 0.00 C ATOM 13 OG SER A 2 18.072 -14.859 5.191 1.00 0.00 O ATOM 0 H SER A 2 19.521 -13.410 2.312 1.00 0.00 H new ATOM 0 HA SER A 2 17.044 -13.233 3.723 1.00 0.00 H new ATOM 0 HB2 SER A 2 19.736 -14.189 4.175 1.00 0.00 H new ATOM 0 HB3 SER A 2 19.237 -13.191 5.527 1.00 0.00 H new ATOM 0 HG SER A 2 18.611 -15.411 5.795 1.00 0.00 H new ATOM 18 N SER A 3 16.938 -10.825 4.253 1.00 0.00 N ATOM 19 CA SER A 3 16.821 -9.446 4.694 1.00 0.00 C ATOM 20 C SER A 3 17.629 -8.531 3.771 1.00 0.00 C ATOM 21 O SER A 3 18.567 -8.980 3.112 1.00 0.00 O ATOM 22 CB SER A 3 17.291 -9.288 6.141 1.00 0.00 C ATOM 23 OG SER A 3 16.461 -8.397 6.879 1.00 0.00 O ATOM 0 H SER A 3 16.058 -11.261 3.977 1.00 0.00 H new ATOM 0 HA SER A 3 15.770 -9.161 4.649 1.00 0.00 H new ATOM 0 HB2 SER A 3 17.298 -10.263 6.628 1.00 0.00 H new ATOM 0 HB3 SER A 3 18.317 -8.919 6.150 1.00 0.00 H new ATOM 0 HG SER A 3 16.794 -8.325 7.798 1.00 0.00 H new ATOM 28 N GLY A 4 17.236 -7.266 3.753 1.00 0.00 N ATOM 29 CA GLY A 4 17.912 -6.284 2.922 1.00 0.00 C ATOM 30 C GLY A 4 16.971 -5.734 1.849 1.00 0.00 C ATOM 31 O GLY A 4 16.489 -4.607 1.959 1.00 0.00 O ATOM 0 H GLY A 4 16.458 -6.898 4.301 1.00 0.00 H new ATOM 0 HA2 GLY A 4 18.278 -5.467 3.543 1.00 0.00 H new ATOM 0 HA3 GLY A 4 18.782 -6.739 2.449 1.00 0.00 H new ATOM 35 N SER A 5 16.738 -6.553 0.834 1.00 0.00 N ATOM 36 CA SER A 5 15.863 -6.162 -0.259 1.00 0.00 C ATOM 37 C SER A 5 14.630 -5.444 0.291 1.00 0.00 C ATOM 38 O SER A 5 14.318 -5.553 1.476 1.00 0.00 O ATOM 39 CB SER A 5 15.443 -7.376 -1.090 1.00 0.00 C ATOM 40 OG SER A 5 16.308 -7.586 -2.203 1.00 0.00 O ATOM 0 H SER A 5 17.140 -7.486 0.745 1.00 0.00 H new ATOM 0 HA SER A 5 16.412 -5.482 -0.911 1.00 0.00 H new ATOM 0 HB2 SER A 5 15.442 -8.265 -0.459 1.00 0.00 H new ATOM 0 HB3 SER A 5 14.422 -7.236 -1.445 1.00 0.00 H new ATOM 0 HG SER A 5 16.008 -8.371 -2.707 1.00 0.00 H new ATOM 45 N SER A 6 13.959 -4.723 -0.597 1.00 0.00 N ATOM 46 CA SER A 6 12.766 -3.986 -0.216 1.00 0.00 C ATOM 47 C SER A 6 11.539 -4.585 -0.905 1.00 0.00 C ATOM 48 O SER A 6 11.668 -5.313 -1.888 1.00 0.00 O ATOM 49 CB SER A 6 12.900 -2.503 -0.565 1.00 0.00 C ATOM 50 OG SER A 6 13.128 -2.301 -1.956 1.00 0.00 O ATOM 0 H SER A 6 14.219 -4.634 -1.579 1.00 0.00 H new ATOM 0 HA SER A 6 12.644 -4.067 0.864 1.00 0.00 H new ATOM 0 HB2 SER A 6 11.993 -1.977 -0.266 1.00 0.00 H new ATOM 0 HB3 SER A 6 13.722 -2.069 0.004 1.00 0.00 H new ATOM 0 HG SER A 6 13.206 -1.341 -2.139 1.00 0.00 H new ATOM 55 N GLY A 7 10.376 -4.257 -0.363 1.00 0.00 N ATOM 56 CA GLY A 7 9.126 -4.753 -0.913 1.00 0.00 C ATOM 57 C GLY A 7 9.262 -6.212 -1.353 1.00 0.00 C ATOM 58 O GLY A 7 8.788 -6.587 -2.425 1.00 0.00 O ATOM 0 H GLY A 7 10.273 -3.653 0.452 1.00 0.00 H new ATOM 0 HA2 GLY A 7 8.336 -4.666 -0.167 1.00 0.00 H new ATOM 0 HA3 GLY A 7 8.830 -4.139 -1.763 1.00 0.00 H new ATOM 62 N GLY A 8 9.911 -6.995 -0.504 1.00 0.00 N ATOM 63 CA GLY A 8 10.115 -8.405 -0.792 1.00 0.00 C ATOM 64 C GLY A 8 8.888 -9.007 -1.479 1.00 0.00 C ATOM 65 O GLY A 8 8.888 -9.208 -2.692 1.00 0.00 O ATOM 0 H GLY A 8 10.303 -6.680 0.384 1.00 0.00 H new ATOM 0 HA2 GLY A 8 10.990 -8.527 -1.431 1.00 0.00 H new ATOM 0 HA3 GLY A 8 10.319 -8.943 0.134 1.00 0.00 H new ATOM 69 N GLU A 9 7.872 -9.278 -0.674 1.00 0.00 N ATOM 70 CA GLU A 9 6.641 -9.853 -1.188 1.00 0.00 C ATOM 71 C GLU A 9 5.429 -9.159 -0.565 1.00 0.00 C ATOM 72 O GLU A 9 5.354 -9.009 0.653 1.00 0.00 O ATOM 73 CB GLU A 9 6.596 -11.362 -0.941 1.00 0.00 C ATOM 74 CG GLU A 9 6.116 -11.671 0.478 1.00 0.00 C ATOM 75 CD GLU A 9 6.683 -13.004 0.971 1.00 0.00 C ATOM 76 OE1 GLU A 9 6.673 -13.958 0.164 1.00 0.00 O ATOM 77 OE2 GLU A 9 7.114 -13.038 2.144 1.00 0.00 O ATOM 0 H GLU A 9 7.876 -9.110 0.332 1.00 0.00 H new ATOM 0 HA GLU A 9 6.611 -9.693 -2.266 1.00 0.00 H new ATOM 0 HB2 GLU A 9 5.930 -11.833 -1.664 1.00 0.00 H new ATOM 0 HB3 GLU A 9 7.587 -11.789 -1.095 1.00 0.00 H new ATOM 0 HG2 GLU A 9 6.422 -10.870 1.152 1.00 0.00 H new ATOM 0 HG3 GLU A 9 5.027 -11.706 0.498 1.00 0.00 H new ATOM 82 N ILE A 10 4.509 -8.754 -1.430 1.00 0.00 N ATOM 83 CA ILE A 10 3.304 -8.079 -0.978 1.00 0.00 C ATOM 84 C ILE A 10 2.439 -9.063 -0.187 1.00 0.00 C ATOM 85 O ILE A 10 1.860 -9.985 -0.759 1.00 0.00 O ATOM 86 CB ILE A 10 2.577 -7.435 -2.160 1.00 0.00 C ATOM 87 CG1 ILE A 10 3.247 -6.120 -2.565 1.00 0.00 C ATOM 88 CG2 ILE A 10 1.090 -7.249 -1.854 1.00 0.00 C ATOM 89 CD1 ILE A 10 2.977 -5.025 -1.530 1.00 0.00 C ATOM 0 H ILE A 10 4.574 -8.880 -2.440 1.00 0.00 H new ATOM 0 HA ILE A 10 3.556 -7.261 -0.303 1.00 0.00 H new ATOM 0 HB ILE A 10 2.648 -8.110 -3.013 1.00 0.00 H new ATOM 0 HG12 ILE A 10 4.322 -6.272 -2.667 1.00 0.00 H new ATOM 0 HG13 ILE A 10 2.876 -5.804 -3.540 1.00 0.00 H new ATOM 0 HG21 ILE A 10 0.597 -6.789 -2.711 1.00 0.00 H new ATOM 0 HG22 ILE A 10 0.636 -8.219 -1.651 1.00 0.00 H new ATOM 0 HG23 ILE A 10 0.976 -6.606 -0.981 1.00 0.00 H new ATOM 0 HD11 ILE A 10 3.464 -4.101 -1.842 1.00 0.00 H new ATOM 0 HD12 ILE A 10 1.903 -4.859 -1.448 1.00 0.00 H new ATOM 0 HD13 ILE A 10 3.371 -5.334 -0.562 1.00 0.00 H new ATOM 100 N ILE A 11 2.380 -8.833 1.116 1.00 0.00 N ATOM 101 CA ILE A 11 1.595 -9.687 1.992 1.00 0.00 C ATOM 102 C ILE A 11 0.359 -8.922 2.470 1.00 0.00 C ATOM 103 O ILE A 11 0.191 -7.746 2.152 1.00 0.00 O ATOM 104 CB ILE A 11 2.463 -10.228 3.130 1.00 0.00 C ATOM 105 CG1 ILE A 11 2.796 -9.126 4.138 1.00 0.00 C ATOM 106 CG2 ILE A 11 3.722 -10.906 2.585 1.00 0.00 C ATOM 107 CD1 ILE A 11 1.676 -8.968 5.168 1.00 0.00 C ATOM 0 H ILE A 11 2.863 -8.068 1.587 1.00 0.00 H new ATOM 0 HA ILE A 11 1.237 -10.563 1.451 1.00 0.00 H new ATOM 0 HB ILE A 11 1.892 -10.989 3.662 1.00 0.00 H new ATOM 0 HG12 ILE A 11 3.731 -9.363 4.646 1.00 0.00 H new ATOM 0 HG13 ILE A 11 2.948 -8.183 3.614 1.00 0.00 H new ATOM 0 HG21 ILE A 11 4.321 -11.282 3.415 1.00 0.00 H new ATOM 0 HG22 ILE A 11 3.437 -11.736 1.938 1.00 0.00 H new ATOM 0 HG23 ILE A 11 4.306 -10.184 2.014 1.00 0.00 H new ATOM 0 HD11 ILE A 11 1.938 -8.179 5.872 1.00 0.00 H new ATOM 0 HD12 ILE A 11 0.748 -8.707 4.659 1.00 0.00 H new ATOM 0 HD13 ILE A 11 1.543 -9.906 5.707 1.00 0.00 H new ATOM 118 N GLU A 12 -0.473 -9.622 3.228 1.00 0.00 N ATOM 119 CA GLU A 12 -1.688 -9.022 3.754 1.00 0.00 C ATOM 120 C GLU A 12 -1.372 -8.178 4.990 1.00 0.00 C ATOM 121 O GLU A 12 -0.808 -8.680 5.961 1.00 0.00 O ATOM 122 CB GLU A 12 -2.732 -10.094 4.074 1.00 0.00 C ATOM 123 CG GLU A 12 -3.101 -10.893 2.822 1.00 0.00 C ATOM 124 CD GLU A 12 -3.998 -12.081 3.174 1.00 0.00 C ATOM 125 OE1 GLU A 12 -3.665 -12.770 4.163 1.00 0.00 O ATOM 126 OE2 GLU A 12 -4.996 -12.274 2.446 1.00 0.00 O ATOM 0 H GLU A 12 -0.330 -10.597 3.490 1.00 0.00 H new ATOM 0 HA GLU A 12 -2.108 -8.367 2.990 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -2.344 -10.768 4.838 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -3.625 -9.625 4.486 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -3.613 -10.245 2.110 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -2.194 -11.250 2.334 1.00 0.00 H new ATOM 131 N GLY A 13 -1.749 -6.911 4.913 1.00 0.00 N ATOM 132 CA GLY A 13 -1.512 -5.991 6.013 1.00 0.00 C ATOM 133 C GLY A 13 -0.584 -4.852 5.586 1.00 0.00 C ATOM 134 O GLY A 13 -0.655 -3.752 6.131 1.00 0.00 O ATOM 0 H GLY A 13 -2.217 -6.499 4.106 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -2.461 -5.581 6.360 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -1.071 -6.528 6.853 1.00 0.00 H new ATOM 138 N CYS A 14 0.266 -5.156 4.616 1.00 0.00 N ATOM 139 CA CYS A 14 1.207 -4.171 4.110 1.00 0.00 C ATOM 140 C CYS A 14 0.429 -2.905 3.747 1.00 0.00 C ATOM 141 O CYS A 14 -0.673 -2.983 3.206 1.00 0.00 O ATOM 142 CB CYS A 14 2.005 -4.710 2.921 1.00 0.00 C ATOM 143 SG CYS A 14 3.464 -5.642 3.518 1.00 0.00 S ATOM 0 H CYS A 14 0.323 -6.070 4.167 1.00 0.00 H new ATOM 0 HA CYS A 14 1.941 -3.937 4.881 1.00 0.00 H new ATOM 0 HB2 CYS A 14 1.374 -5.357 2.312 1.00 0.00 H new ATOM 0 HB3 CYS A 14 2.325 -3.886 2.284 1.00 0.00 H new ATOM 0 HG CYS A 14 4.399 -4.808 3.866 1.00 0.00 H new ATOM 148 N ARG A 15 1.032 -1.768 4.059 1.00 0.00 N ATOM 149 CA ARG A 15 0.410 -0.486 3.773 1.00 0.00 C ATOM 150 C ARG A 15 1.238 0.288 2.746 1.00 0.00 C ATOM 151 O ARG A 15 2.407 0.587 2.985 1.00 0.00 O ATOM 152 CB ARG A 15 0.270 0.354 5.044 1.00 0.00 C ATOM 153 CG ARG A 15 -1.087 0.119 5.710 1.00 0.00 C ATOM 154 CD ARG A 15 -1.422 1.248 6.687 1.00 0.00 C ATOM 155 NE ARG A 15 -1.633 0.698 8.043 1.00 0.00 N ATOM 156 CZ ARG A 15 -0.645 0.425 8.907 1.00 0.00 C ATOM 157 NH1 ARG A 15 0.629 0.649 8.558 1.00 0.00 N ATOM 158 NH2 ARG A 15 -0.931 -0.073 10.117 1.00 0.00 N ATOM 0 H ARG A 15 1.946 -1.707 4.508 1.00 0.00 H new ATOM 0 HA ARG A 15 -0.584 -0.682 3.370 1.00 0.00 H new ATOM 0 HB2 ARG A 15 1.069 0.102 5.741 1.00 0.00 H new ATOM 0 HB3 ARG A 15 0.381 1.411 4.800 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -1.863 0.051 4.948 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -1.076 -0.834 6.240 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -0.612 1.978 6.704 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -2.318 1.773 6.355 1.00 0.00 H new ATOM 0 HE ARG A 15 -2.591 0.515 8.340 1.00 0.00 H new ATOM 0 HH11 ARG A 15 0.846 1.027 7.636 1.00 0.00 H new ATOM 0 HH12 ARG A 15 1.382 0.442 9.215 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -1.901 -0.245 10.382 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -0.179 -0.281 10.774 1.00 0.00 H new ATOM 169 N LEU A 16 0.599 0.591 1.625 1.00 0.00 N ATOM 170 CA LEU A 16 1.263 1.325 0.561 1.00 0.00 C ATOM 171 C LEU A 16 0.240 2.210 -0.157 1.00 0.00 C ATOM 172 O LEU A 16 -0.948 1.891 -0.187 1.00 0.00 O ATOM 173 CB LEU A 16 2.006 0.366 -0.369 1.00 0.00 C ATOM 174 CG LEU A 16 1.524 -1.087 -0.359 1.00 0.00 C ATOM 175 CD1 LEU A 16 -0.003 -1.158 -0.314 1.00 0.00 C ATOM 176 CD2 LEU A 16 2.099 -1.864 -1.545 1.00 0.00 C ATOM 0 H LEU A 16 -0.371 0.342 1.431 1.00 0.00 H new ATOM 0 HA LEU A 16 2.025 1.987 0.973 1.00 0.00 H new ATOM 0 HB2 LEU A 16 1.929 0.746 -1.388 1.00 0.00 H new ATOM 0 HB3 LEU A 16 3.063 0.379 -0.103 1.00 0.00 H new ATOM 0 HG LEU A 16 1.895 -1.563 0.548 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -0.319 -2.201 -0.308 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -0.364 -0.664 0.588 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -0.416 -0.659 -1.191 1.00 0.00 H new ATOM 0 HD21 LEU A 16 1.741 -2.893 -1.514 1.00 0.00 H new ATOM 0 HD22 LEU A 16 1.779 -1.396 -2.476 1.00 0.00 H new ATOM 0 HD23 LEU A 16 3.188 -1.857 -1.491 1.00 0.00 H new ATOM 187 N PRO A 17 0.753 3.330 -0.732 1.00 0.00 N ATOM 188 CA PRO A 17 -0.102 4.262 -1.447 1.00 0.00 C ATOM 189 C PRO A 17 -0.501 3.701 -2.814 1.00 0.00 C ATOM 190 O PRO A 17 0.338 3.567 -3.703 1.00 0.00 O ATOM 191 CB PRO A 17 0.708 5.544 -1.546 1.00 0.00 C ATOM 192 CG PRO A 17 2.153 5.143 -1.296 1.00 0.00 C ATOM 193 CD PRO A 17 2.154 3.738 -0.716 1.00 0.00 C ATOM 0 HA PRO A 17 -1.047 4.443 -0.935 1.00 0.00 H new ATOM 0 HB2 PRO A 17 0.594 6.003 -2.528 1.00 0.00 H new ATOM 0 HB3 PRO A 17 0.373 6.276 -0.811 1.00 0.00 H new ATOM 0 HG2 PRO A 17 2.723 5.173 -2.224 1.00 0.00 H new ATOM 0 HG3 PRO A 17 2.629 5.841 -0.607 1.00 0.00 H new ATOM 0 HD2 PRO A 17 2.770 3.064 -1.312 1.00 0.00 H new ATOM 0 HD3 PRO A 17 2.558 3.728 0.296 1.00 0.00 H new ATOM 198 N VAL A 18 -1.783 3.387 -2.938 1.00 0.00 N ATOM 199 CA VAL A 18 -2.304 2.844 -4.181 1.00 0.00 C ATOM 200 C VAL A 18 -2.757 3.993 -5.084 1.00 0.00 C ATOM 201 O VAL A 18 -3.729 4.682 -4.778 1.00 0.00 O ATOM 202 CB VAL A 18 -3.420 1.840 -3.887 1.00 0.00 C ATOM 203 CG1 VAL A 18 -4.159 1.451 -5.168 1.00 0.00 C ATOM 204 CG2 VAL A 18 -2.869 0.603 -3.173 1.00 0.00 C ATOM 0 H VAL A 18 -2.476 3.498 -2.198 1.00 0.00 H new ATOM 0 HA VAL A 18 -1.526 2.298 -4.714 1.00 0.00 H new ATOM 0 HB VAL A 18 -4.137 2.320 -3.221 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -4.947 0.736 -4.931 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -4.599 2.341 -5.618 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -3.458 0.998 -5.869 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -3.682 -0.095 -2.975 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -2.122 0.121 -3.804 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -2.410 0.901 -2.231 1.00 0.00 H new ATOM 214 N LEU A 19 -2.031 4.165 -6.179 1.00 0.00 N ATOM 215 CA LEU A 19 -2.347 5.218 -7.129 1.00 0.00 C ATOM 216 C LEU A 19 -3.858 5.254 -7.360 1.00 0.00 C ATOM 217 O LEU A 19 -4.525 4.223 -7.299 1.00 0.00 O ATOM 218 CB LEU A 19 -1.532 5.044 -8.412 1.00 0.00 C ATOM 219 CG LEU A 19 -2.011 5.845 -9.625 1.00 0.00 C ATOM 220 CD1 LEU A 19 -1.302 7.198 -9.703 1.00 0.00 C ATOM 221 CD2 LEU A 19 -1.849 5.037 -10.914 1.00 0.00 C ATOM 0 H LEU A 19 -1.225 3.593 -6.429 1.00 0.00 H new ATOM 0 HA LEU A 19 -2.063 6.191 -6.728 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -0.499 5.322 -8.203 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -1.530 3.987 -8.677 1.00 0.00 H new ATOM 0 HG LEU A 19 -3.075 6.046 -9.503 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -1.661 7.747 -10.574 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -1.512 7.772 -8.800 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -0.227 7.041 -9.791 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -2.197 5.629 -11.761 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -0.798 4.784 -11.055 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -2.437 4.121 -10.846 1.00 0.00 H new ATOM 232 N ARG A 20 -4.356 6.454 -7.622 1.00 0.00 N ATOM 233 CA ARG A 20 -5.777 6.638 -7.862 1.00 0.00 C ATOM 234 C ARG A 20 -6.090 8.120 -8.086 1.00 0.00 C ATOM 235 O ARG A 20 -6.195 8.886 -7.131 1.00 0.00 O ATOM 236 CB ARG A 20 -6.607 6.121 -6.685 1.00 0.00 C ATOM 237 CG ARG A 20 -8.057 6.601 -6.784 1.00 0.00 C ATOM 238 CD ARG A 20 -8.380 7.599 -5.671 1.00 0.00 C ATOM 239 NE ARG A 20 -9.794 7.453 -5.256 1.00 0.00 N ATOM 240 CZ ARG A 20 -10.827 8.012 -5.900 1.00 0.00 C ATOM 241 NH1 ARG A 20 -10.612 8.758 -6.992 1.00 0.00 N ATOM 242 NH2 ARG A 20 -12.076 7.826 -5.451 1.00 0.00 N ATOM 0 H ARG A 20 -3.801 7.308 -7.673 1.00 0.00 H new ATOM 0 HA ARG A 20 -6.039 6.068 -8.754 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -6.581 5.031 -6.668 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -6.169 6.465 -5.748 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -8.224 7.067 -7.755 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -8.732 5.747 -6.719 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -7.723 7.431 -4.818 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -8.197 8.616 -6.018 1.00 0.00 H new ATOM 0 HE ARG A 20 -9.994 6.892 -4.428 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -9.661 8.900 -7.333 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -11.399 9.183 -7.482 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -12.240 7.259 -4.619 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -12.863 8.252 -5.941 1.00 0.00 H new ATOM 253 N ARG A 21 -6.230 8.476 -9.354 1.00 0.00 N ATOM 254 CA ARG A 21 -6.528 9.852 -9.716 1.00 0.00 C ATOM 255 C ARG A 21 -7.982 10.186 -9.378 1.00 0.00 C ATOM 256 O ARG A 21 -8.865 9.339 -9.510 1.00 0.00 O ATOM 257 CB ARG A 21 -6.291 10.093 -11.208 1.00 0.00 C ATOM 258 CG ARG A 21 -7.180 9.184 -12.058 1.00 0.00 C ATOM 259 CD ARG A 21 -6.358 8.447 -13.117 1.00 0.00 C ATOM 260 NE ARG A 21 -7.122 7.291 -13.637 1.00 0.00 N ATOM 261 CZ ARG A 21 -6.720 6.522 -14.658 1.00 0.00 C ATOM 262 NH1 ARG A 21 -5.560 6.782 -15.276 1.00 0.00 N ATOM 263 NH2 ARG A 21 -7.478 5.494 -15.063 1.00 0.00 N ATOM 0 H ARG A 21 -6.143 7.836 -10.144 1.00 0.00 H new ATOM 0 HA ARG A 21 -5.860 10.497 -9.145 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -6.496 11.136 -11.449 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -5.243 9.910 -11.448 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -7.685 8.461 -11.417 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -7.955 9.778 -12.543 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -6.109 9.125 -13.933 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -5.416 8.107 -12.686 1.00 0.00 H new ATOM 0 HE ARG A 21 -8.011 7.065 -13.190 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -4.983 7.565 -14.969 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -5.254 6.197 -16.053 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -8.362 5.296 -14.594 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -7.171 4.909 -15.840 1.00 0.00 H new ATOM 274 N ASN A 22 -8.187 11.422 -8.946 1.00 0.00 N ATOM 275 CA ASN A 22 -9.519 11.878 -8.587 1.00 0.00 C ATOM 276 C ASN A 22 -10.298 12.214 -9.860 1.00 0.00 C ATOM 277 O ASN A 22 -9.778 12.075 -10.966 1.00 0.00 O ATOM 278 CB ASN A 22 -9.455 13.140 -7.725 1.00 0.00 C ATOM 279 CG ASN A 22 -9.224 12.789 -6.254 1.00 0.00 C ATOM 280 OD1 ASN A 22 -10.129 12.806 -5.435 1.00 0.00 O ATOM 281 ND2 ASN A 22 -7.966 12.470 -5.966 1.00 0.00 N ATOM 0 H ASN A 22 -7.453 12.122 -8.837 1.00 0.00 H new ATOM 0 HA ASN A 22 -10.008 11.082 -8.025 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -8.651 13.786 -8.079 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -10.384 13.702 -7.827 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -7.709 12.219 -5.011 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -7.258 12.476 -6.700 1.00 0.00 H new ATOM 287 N GLN A 23 -11.534 12.651 -9.662 1.00 0.00 N ATOM 288 CA GLN A 23 -12.390 13.008 -10.780 1.00 0.00 C ATOM 289 C GLN A 23 -11.714 14.072 -11.648 1.00 0.00 C ATOM 290 O GLN A 23 -12.104 14.282 -12.795 1.00 0.00 O ATOM 291 CB GLN A 23 -13.758 13.486 -10.292 1.00 0.00 C ATOM 292 CG GLN A 23 -14.875 12.974 -11.203 1.00 0.00 C ATOM 293 CD GLN A 23 -15.405 11.623 -10.714 1.00 0.00 C ATOM 294 OE1 GLN A 23 -14.686 10.642 -10.623 1.00 0.00 O ATOM 295 NE2 GLN A 23 -16.699 11.629 -10.408 1.00 0.00 N ATOM 0 H GLN A 23 -11.962 12.766 -8.743 1.00 0.00 H new ATOM 0 HA GLN A 23 -12.549 12.118 -11.389 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -13.927 13.138 -9.273 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -13.778 14.575 -10.264 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -15.688 13.699 -11.231 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -14.501 12.875 -12.222 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -17.243 12.486 -10.508 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -17.148 10.776 -10.074 1.00 0.00 H new ATOM 302 N ASP A 24 -10.713 14.716 -11.065 1.00 0.00 N ATOM 303 CA ASP A 24 -9.980 15.754 -11.770 1.00 0.00 C ATOM 304 C ASP A 24 -8.844 15.114 -12.571 1.00 0.00 C ATOM 305 O ASP A 24 -8.191 15.783 -13.371 1.00 0.00 O ATOM 306 CB ASP A 24 -9.364 16.755 -10.792 1.00 0.00 C ATOM 307 CG ASP A 24 -10.259 17.942 -10.431 1.00 0.00 C ATOM 308 OD1 ASP A 24 -10.562 18.726 -11.356 1.00 0.00 O ATOM 309 OD2 ASP A 24 -10.620 18.038 -9.238 1.00 0.00 O ATOM 0 H ASP A 24 -10.393 14.539 -10.113 1.00 0.00 H new ATOM 0 HA ASP A 24 -10.678 16.275 -12.425 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -9.098 16.228 -9.876 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -8.437 17.136 -11.221 1.00 0.00 H new ATOM 313 N ASN A 25 -8.641 13.827 -12.327 1.00 0.00 N ATOM 314 CA ASN A 25 -7.595 13.091 -13.015 1.00 0.00 C ATOM 315 C ASN A 25 -6.256 13.346 -12.320 1.00 0.00 C ATOM 316 O ASN A 25 -5.200 13.251 -12.944 1.00 0.00 O ATOM 317 CB ASN A 25 -7.467 13.546 -14.470 1.00 0.00 C ATOM 318 CG ASN A 25 -6.879 12.435 -15.343 1.00 0.00 C ATOM 319 OD1 ASN A 25 -7.471 11.385 -15.538 1.00 0.00 O ATOM 320 ND2 ASN A 25 -5.686 12.722 -15.854 1.00 0.00 N ATOM 0 H ASN A 25 -9.184 13.276 -11.662 1.00 0.00 H new ATOM 0 HA ASN A 25 -7.855 12.033 -12.990 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -8.446 13.834 -14.852 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -6.832 14.430 -14.524 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -5.210 12.044 -16.449 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -5.247 13.620 -15.651 1.00 0.00 H new ATOM 326 N GLU A 26 -6.343 13.665 -11.037 1.00 0.00 N ATOM 327 CA GLU A 26 -5.152 13.934 -10.251 1.00 0.00 C ATOM 328 C GLU A 26 -4.665 12.653 -9.570 1.00 0.00 C ATOM 329 O GLU A 26 -5.037 12.371 -8.431 1.00 0.00 O ATOM 330 CB GLU A 26 -5.410 15.037 -9.223 1.00 0.00 C ATOM 331 CG GLU A 26 -5.729 16.365 -9.912 1.00 0.00 C ATOM 332 CD GLU A 26 -5.463 17.546 -8.976 1.00 0.00 C ATOM 333 OE1 GLU A 26 -4.267 17.845 -8.764 1.00 0.00 O ATOM 334 OE2 GLU A 26 -6.461 18.123 -8.493 1.00 0.00 O ATOM 0 H GLU A 26 -7.220 13.743 -10.523 1.00 0.00 H new ATOM 0 HA GLU A 26 -4.369 14.286 -10.923 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -6.240 14.750 -8.577 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -4.535 15.156 -8.584 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -5.123 16.466 -10.812 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -6.772 16.374 -10.227 1.00 0.00 H new ATOM 339 N ASP A 27 -3.839 11.912 -10.295 1.00 0.00 N ATOM 340 CA ASP A 27 -3.297 10.668 -9.775 1.00 0.00 C ATOM 341 C ASP A 27 -2.898 10.864 -8.312 1.00 0.00 C ATOM 342 O ASP A 27 -1.835 11.411 -8.022 1.00 0.00 O ATOM 343 CB ASP A 27 -2.050 10.243 -10.554 1.00 0.00 C ATOM 344 CG ASP A 27 -2.327 9.551 -11.890 1.00 0.00 C ATOM 345 OD1 ASP A 27 -3.102 8.571 -11.871 1.00 0.00 O ATOM 346 OD2 ASP A 27 -1.757 10.018 -12.899 1.00 0.00 O ATOM 0 H ASP A 27 -3.532 12.150 -11.238 1.00 0.00 H new ATOM 0 HA ASP A 27 -4.063 9.898 -9.873 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -1.437 11.125 -10.739 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -1.461 9.571 -9.929 1.00 0.00 H new ATOM 350 N GLU A 28 -3.770 10.404 -7.427 1.00 0.00 N ATOM 351 CA GLU A 28 -3.522 10.522 -5.999 1.00 0.00 C ATOM 352 C GLU A 28 -2.736 9.308 -5.497 1.00 0.00 C ATOM 353 O GLU A 28 -2.586 8.320 -6.213 1.00 0.00 O ATOM 354 CB GLU A 28 -4.831 10.686 -5.226 1.00 0.00 C ATOM 355 CG GLU A 28 -4.564 11.084 -3.774 1.00 0.00 C ATOM 356 CD GLU A 28 -5.744 11.868 -3.194 1.00 0.00 C ATOM 357 OE1 GLU A 28 -5.894 13.043 -3.591 1.00 0.00 O ATOM 358 OE2 GLU A 28 -6.468 11.273 -2.366 1.00 0.00 O ATOM 0 H GLU A 28 -4.650 9.949 -7.671 1.00 0.00 H new ATOM 0 HA GLU A 28 -2.923 11.416 -5.826 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -5.449 11.444 -5.707 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -5.393 9.752 -5.253 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -4.387 10.191 -3.175 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -3.659 11.689 -3.720 1.00 0.00 H new ATOM 363 N TRP A 29 -2.255 9.424 -4.267 1.00 0.00 N ATOM 364 CA TRP A 29 -1.488 8.349 -3.660 1.00 0.00 C ATOM 365 C TRP A 29 -1.952 8.199 -2.209 1.00 0.00 C ATOM 366 O TRP A 29 -1.181 8.437 -1.281 1.00 0.00 O ATOM 367 CB TRP A 29 0.014 8.609 -3.784 1.00 0.00 C ATOM 368 CG TRP A 29 0.542 8.534 -5.218 1.00 0.00 C ATOM 369 CD1 TRP A 29 0.730 9.541 -6.082 1.00 0.00 C ATOM 370 CD2 TRP A 29 0.946 7.342 -5.924 1.00 0.00 C ATOM 371 NE1 TRP A 29 1.224 9.087 -7.288 1.00 0.00 N ATOM 372 CE2 TRP A 29 1.359 7.707 -7.189 1.00 0.00 C ATOM 373 CE3 TRP A 29 0.962 5.999 -5.508 1.00 0.00 C ATOM 374 CZ2 TRP A 29 1.817 6.789 -8.141 1.00 0.00 C ATOM 375 CZ3 TRP A 29 1.421 5.094 -6.472 1.00 0.00 C ATOM 376 CH2 TRP A 29 1.841 5.446 -7.749 1.00 0.00 C ATOM 0 H TRP A 29 -2.382 10.245 -3.675 1.00 0.00 H new ATOM 0 HA TRP A 29 -1.663 7.408 -4.181 1.00 0.00 H new ATOM 0 HB2 TRP A 29 0.236 9.595 -3.377 1.00 0.00 H new ATOM 0 HB3 TRP A 29 0.550 7.883 -3.172 1.00 0.00 H new ATOM 0 HD1 TRP A 29 0.521 10.578 -5.862 1.00 0.00 H new ATOM 0 HE1 TRP A 29 1.449 9.659 -8.102 1.00 0.00 H new ATOM 0 HE3 TRP A 29 0.645 5.690 -4.523 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 2.135 7.100 -9.125 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 1.451 4.048 -6.204 1.00 0.00 H new ATOM 0 HH2 TRP A 29 2.184 4.686 -8.436 1.00 0.00 H new ATOM 386 N PRO A 30 -3.241 7.796 -2.057 1.00 0.00 N ATOM 387 CA PRO A 30 -3.816 7.612 -0.735 1.00 0.00 C ATOM 388 C PRO A 30 -3.301 6.326 -0.087 1.00 0.00 C ATOM 389 O PRO A 30 -2.938 5.378 -0.782 1.00 0.00 O ATOM 390 CB PRO A 30 -5.320 7.604 -0.957 1.00 0.00 C ATOM 391 CG PRO A 30 -5.520 7.317 -2.436 1.00 0.00 C ATOM 392 CD PRO A 30 -4.183 7.505 -3.133 1.00 0.00 C ATOM 0 HA PRO A 30 -3.534 8.403 -0.040 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -5.802 6.843 -0.343 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -5.761 8.562 -0.682 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -5.886 6.301 -2.581 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -6.268 7.989 -2.857 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -3.893 6.609 -3.681 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -4.224 8.321 -3.855 1.00 0.00 H new ATOM 397 N LEU A 31 -3.283 6.334 1.238 1.00 0.00 N ATOM 398 CA LEU A 31 -2.818 5.179 1.987 1.00 0.00 C ATOM 399 C LEU A 31 -3.790 4.017 1.779 1.00 0.00 C ATOM 400 O LEU A 31 -5.002 4.190 1.881 1.00 0.00 O ATOM 401 CB LEU A 31 -2.603 5.546 3.458 1.00 0.00 C ATOM 402 CG LEU A 31 -1.478 4.800 4.177 1.00 0.00 C ATOM 403 CD1 LEU A 31 -1.866 3.344 4.441 1.00 0.00 C ATOM 404 CD2 LEU A 31 -0.164 4.912 3.403 1.00 0.00 C ATOM 0 H LEU A 31 -3.583 7.122 1.812 1.00 0.00 H new ATOM 0 HA LEU A 31 -1.846 4.851 1.618 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -2.400 6.615 3.519 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -3.533 5.366 3.997 1.00 0.00 H new ATOM 0 HG LEU A 31 -1.321 5.272 5.147 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -1.048 2.837 4.953 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -2.760 3.313 5.064 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -2.067 2.844 3.494 1.00 0.00 H new ATOM 0 HD21 LEU A 31 0.619 4.373 3.936 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -0.289 4.482 2.409 1.00 0.00 H new ATOM 0 HD23 LEU A 31 0.116 5.961 3.311 1.00 0.00 H new ATOM 415 N ALA A 32 -3.219 2.855 1.492 1.00 0.00 N ATOM 416 CA ALA A 32 -4.019 1.663 1.269 1.00 0.00 C ATOM 417 C ALA A 32 -3.354 0.470 1.958 1.00 0.00 C ATOM 418 O ALA A 32 -2.130 0.347 1.947 1.00 0.00 O ATOM 419 CB ALA A 32 -4.199 1.442 -0.234 1.00 0.00 C ATOM 0 H ALA A 32 -2.212 2.715 1.409 1.00 0.00 H new ATOM 0 HA ALA A 32 -5.012 1.782 1.702 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -4.799 0.548 -0.401 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -4.703 2.304 -0.671 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -3.223 1.317 -0.703 1.00 0.00 H new ATOM 425 N GLU A 33 -4.189 -0.377 2.541 1.00 0.00 N ATOM 426 CA GLU A 33 -3.696 -1.556 3.233 1.00 0.00 C ATOM 427 C GLU A 33 -4.097 -2.823 2.475 1.00 0.00 C ATOM 428 O GLU A 33 -5.244 -2.960 2.050 1.00 0.00 O ATOM 429 CB GLU A 33 -4.204 -1.596 4.676 1.00 0.00 C ATOM 430 CG GLU A 33 -3.426 -2.622 5.503 1.00 0.00 C ATOM 431 CD GLU A 33 -4.252 -3.105 6.697 1.00 0.00 C ATOM 432 OE1 GLU A 33 -5.469 -3.314 6.498 1.00 0.00 O ATOM 433 OE2 GLU A 33 -3.649 -3.253 7.781 1.00 0.00 O ATOM 0 H GLU A 33 -5.203 -0.271 2.549 1.00 0.00 H new ATOM 0 HA GLU A 33 -2.608 -1.506 3.266 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -4.105 -0.609 5.128 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -5.265 -1.846 4.685 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -3.157 -3.471 4.875 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -2.495 -2.179 5.856 1.00 0.00 H new ATOM 438 N ILE A 34 -3.131 -3.719 2.329 1.00 0.00 N ATOM 439 CA ILE A 34 -3.369 -4.969 1.630 1.00 0.00 C ATOM 440 C ILE A 34 -4.318 -5.839 2.458 1.00 0.00 C ATOM 441 O ILE A 34 -4.312 -5.773 3.687 1.00 0.00 O ATOM 442 CB ILE A 34 -2.043 -5.655 1.292 1.00 0.00 C ATOM 443 CG1 ILE A 34 -1.079 -4.679 0.618 1.00 0.00 C ATOM 444 CG2 ILE A 34 -2.276 -6.909 0.447 1.00 0.00 C ATOM 445 CD1 ILE A 34 -1.233 -4.718 -0.904 1.00 0.00 C ATOM 0 H ILE A 34 -2.182 -3.603 2.684 1.00 0.00 H new ATOM 0 HA ILE A 34 -3.858 -4.783 0.674 1.00 0.00 H new ATOM 0 HB ILE A 34 -1.576 -5.977 2.223 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -1.267 -3.668 0.980 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -0.054 -4.929 0.890 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -1.319 -7.378 0.220 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -2.901 -7.610 1.000 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -2.774 -6.634 -0.483 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -0.536 -4.014 -1.358 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -1.021 -5.724 -1.266 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -2.253 -4.443 -1.174 1.00 0.00 H new ATOM 456 N LEU A 35 -5.109 -6.634 1.753 1.00 0.00 N ATOM 457 CA LEU A 35 -6.061 -7.515 2.408 1.00 0.00 C ATOM 458 C LEU A 35 -5.855 -8.945 1.903 1.00 0.00 C ATOM 459 O LEU A 35 -5.791 -9.883 2.696 1.00 0.00 O ATOM 460 CB LEU A 35 -7.488 -6.996 2.221 1.00 0.00 C ATOM 461 CG LEU A 35 -7.729 -5.539 2.619 1.00 0.00 C ATOM 462 CD1 LEU A 35 -9.213 -5.183 2.523 1.00 0.00 C ATOM 463 CD2 LEU A 35 -7.159 -5.248 4.009 1.00 0.00 C ATOM 0 H LEU A 35 -5.110 -6.687 0.734 1.00 0.00 H new ATOM 0 HA LEU A 35 -5.891 -7.528 3.485 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -7.763 -7.116 1.173 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -8.162 -7.627 2.801 1.00 0.00 H new ATOM 0 HG LEU A 35 -7.198 -4.900 1.913 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -9.357 -4.142 2.811 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -9.556 -5.327 1.498 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -9.786 -5.827 3.191 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -7.344 -4.205 4.267 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -7.641 -5.894 4.742 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -6.085 -5.437 4.009 1.00 0.00 H new ATOM 474 N SER A 36 -5.757 -9.066 0.587 1.00 0.00 N ATOM 475 CA SER A 36 -5.560 -10.365 -0.032 1.00 0.00 C ATOM 476 C SER A 36 -4.954 -10.194 -1.427 1.00 0.00 C ATOM 477 O SER A 36 -5.282 -9.245 -2.137 1.00 0.00 O ATOM 478 CB SER A 36 -6.877 -11.141 -0.117 1.00 0.00 C ATOM 479 OG SER A 36 -6.707 -12.518 0.206 1.00 0.00 O ATOM 0 H SER A 36 -5.810 -8.285 -0.067 1.00 0.00 H new ATOM 0 HA SER A 36 -4.871 -10.938 0.589 1.00 0.00 H new ATOM 0 HB2 SER A 36 -7.604 -10.696 0.562 1.00 0.00 H new ATOM 0 HB3 SER A 36 -7.286 -11.053 -1.124 1.00 0.00 H new ATOM 0 HG SER A 36 -6.132 -12.600 0.995 1.00 0.00 H new ATOM 484 N VAL A 37 -4.082 -11.128 -1.777 1.00 0.00 N ATOM 485 CA VAL A 37 -3.427 -11.092 -3.073 1.00 0.00 C ATOM 486 C VAL A 37 -4.012 -12.188 -3.966 1.00 0.00 C ATOM 487 O VAL A 37 -4.739 -13.060 -3.489 1.00 0.00 O ATOM 488 CB VAL A 37 -1.912 -11.210 -2.898 1.00 0.00 C ATOM 489 CG1 VAL A 37 -1.198 -11.169 -4.251 1.00 0.00 C ATOM 490 CG2 VAL A 37 -1.382 -10.119 -1.965 1.00 0.00 C ATOM 0 H VAL A 37 -3.814 -11.914 -1.185 1.00 0.00 H new ATOM 0 HA VAL A 37 -3.610 -10.137 -3.566 1.00 0.00 H new ATOM 0 HB VAL A 37 -1.702 -12.176 -2.438 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -0.122 -11.255 -4.097 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -1.543 -11.997 -4.870 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -1.419 -10.226 -4.751 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -0.303 -10.225 -1.857 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -1.610 -9.139 -2.384 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -1.855 -10.214 -0.988 1.00 0.00 H new ATOM 500 N LYS A 38 -3.675 -12.110 -5.244 1.00 0.00 N ATOM 501 CA LYS A 38 -4.158 -13.084 -6.207 1.00 0.00 C ATOM 502 C LYS A 38 -3.258 -13.062 -7.445 1.00 0.00 C ATOM 503 O LYS A 38 -2.302 -12.291 -7.506 1.00 0.00 O ATOM 504 CB LYS A 38 -5.637 -12.843 -6.518 1.00 0.00 C ATOM 505 CG LYS A 38 -6.382 -14.168 -6.697 1.00 0.00 C ATOM 506 CD LYS A 38 -6.857 -14.338 -8.141 1.00 0.00 C ATOM 507 CE LYS A 38 -8.316 -14.794 -8.188 1.00 0.00 C ATOM 508 NZ LYS A 38 -8.452 -16.157 -7.628 1.00 0.00 N ATOM 0 H LYS A 38 -3.072 -11.386 -5.636 1.00 0.00 H new ATOM 0 HA LYS A 38 -4.103 -14.090 -5.790 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -6.094 -12.271 -5.710 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -5.729 -12.244 -7.424 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -5.728 -14.997 -6.425 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -7.237 -14.203 -6.022 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -6.750 -13.395 -8.676 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -6.228 -15.067 -8.651 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -8.939 -14.099 -7.624 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -8.674 -14.780 -9.217 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -9.428 -16.491 -7.760 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -7.797 -16.800 -8.117 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -8.227 -16.139 -6.613 1.00 0.00 H new ATOM 518 N ASP A 39 -3.596 -13.916 -8.399 1.00 0.00 N ATOM 519 CA ASP A 39 -2.831 -14.003 -9.631 1.00 0.00 C ATOM 520 C ASP A 39 -3.726 -14.551 -10.744 1.00 0.00 C ATOM 521 O ASP A 39 -4.276 -15.644 -10.623 1.00 0.00 O ATOM 522 CB ASP A 39 -1.640 -14.950 -9.474 1.00 0.00 C ATOM 523 CG ASP A 39 -1.131 -15.571 -10.775 1.00 0.00 C ATOM 524 OD1 ASP A 39 -0.762 -14.784 -11.674 1.00 0.00 O ATOM 525 OD2 ASP A 39 -1.122 -16.819 -10.843 1.00 0.00 O ATOM 0 H ASP A 39 -4.390 -14.554 -8.344 1.00 0.00 H new ATOM 0 HA ASP A 39 -2.468 -13.004 -9.874 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -0.821 -14.405 -9.005 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -1.921 -15.752 -8.792 1.00 0.00 H new ATOM 529 N ILE A 40 -3.845 -13.766 -11.805 1.00 0.00 N ATOM 530 CA ILE A 40 -4.663 -14.158 -12.939 1.00 0.00 C ATOM 531 C ILE A 40 -4.000 -13.680 -14.232 1.00 0.00 C ATOM 532 O ILE A 40 -3.821 -12.480 -14.434 1.00 0.00 O ATOM 533 CB ILE A 40 -6.099 -13.658 -12.763 1.00 0.00 C ATOM 534 CG1 ILE A 40 -6.735 -14.251 -11.504 1.00 0.00 C ATOM 535 CG2 ILE A 40 -6.935 -13.938 -14.013 1.00 0.00 C ATOM 536 CD1 ILE A 40 -8.098 -13.612 -11.226 1.00 0.00 C ATOM 0 H ILE A 40 -3.388 -12.859 -11.903 1.00 0.00 H new ATOM 0 HA ILE A 40 -4.733 -15.244 -12.999 1.00 0.00 H new ATOM 0 HB ILE A 40 -6.070 -12.576 -12.631 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -6.852 -15.328 -11.624 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -6.075 -14.095 -10.651 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -7.951 -13.573 -13.861 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -6.491 -13.430 -14.869 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -6.960 -15.011 -14.201 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -8.529 -14.051 -10.326 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -7.974 -12.539 -11.083 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -8.763 -13.791 -12.071 1.00 0.00 H new ATOM 547 N SER A 41 -3.654 -14.643 -15.073 1.00 0.00 N ATOM 548 CA SER A 41 -3.014 -14.335 -16.341 1.00 0.00 C ATOM 549 C SER A 41 -1.768 -13.479 -16.104 1.00 0.00 C ATOM 550 O SER A 41 -1.522 -12.519 -16.832 1.00 0.00 O ATOM 551 CB SER A 41 -3.980 -13.616 -17.285 1.00 0.00 C ATOM 552 OG SER A 41 -3.939 -14.156 -18.603 1.00 0.00 O ATOM 0 H SER A 41 -3.805 -15.637 -14.902 1.00 0.00 H new ATOM 0 HA SER A 41 -2.719 -15.273 -16.812 1.00 0.00 H new ATOM 0 HB2 SER A 41 -4.994 -13.693 -16.893 1.00 0.00 H new ATOM 0 HB3 SER A 41 -3.731 -12.555 -17.320 1.00 0.00 H new ATOM 0 HG SER A 41 -4.571 -13.672 -19.175 1.00 0.00 H new ATOM 557 N GLY A 42 -1.014 -13.858 -15.082 1.00 0.00 N ATOM 558 CA GLY A 42 0.201 -13.138 -14.741 1.00 0.00 C ATOM 559 C GLY A 42 -0.125 -11.789 -14.095 1.00 0.00 C ATOM 560 O GLY A 42 0.777 -11.019 -13.768 1.00 0.00 O ATOM 0 H GLY A 42 -1.221 -14.654 -14.479 1.00 0.00 H new ATOM 0 HA2 GLY A 42 0.803 -13.737 -14.058 1.00 0.00 H new ATOM 0 HA3 GLY A 42 0.799 -12.981 -15.639 1.00 0.00 H new ATOM 564 N ARG A 43 -1.417 -11.545 -13.930 1.00 0.00 N ATOM 565 CA ARG A 43 -1.873 -10.304 -13.328 1.00 0.00 C ATOM 566 C ARG A 43 -2.193 -10.517 -11.848 1.00 0.00 C ATOM 567 O ARG A 43 -3.278 -10.983 -11.504 1.00 0.00 O ATOM 568 CB ARG A 43 -3.119 -9.772 -14.041 1.00 0.00 C ATOM 569 CG ARG A 43 -3.287 -8.270 -13.803 1.00 0.00 C ATOM 570 CD ARG A 43 -4.326 -8.001 -12.712 1.00 0.00 C ATOM 571 NE ARG A 43 -5.388 -7.111 -13.234 1.00 0.00 N ATOM 572 CZ ARG A 43 -6.438 -7.534 -13.949 1.00 0.00 C ATOM 573 NH1 ARG A 43 -6.574 -8.837 -14.235 1.00 0.00 N ATOM 574 NH2 ARG A 43 -7.354 -6.656 -14.381 1.00 0.00 N ATOM 0 H ARG A 43 -2.162 -12.186 -14.203 1.00 0.00 H new ATOM 0 HA ARG A 43 -1.071 -9.573 -13.427 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -3.042 -9.968 -15.110 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -4.002 -10.302 -13.683 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -2.330 -7.835 -13.515 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -3.592 -7.783 -14.729 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -4.762 -8.941 -12.373 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -3.847 -7.542 -11.847 1.00 0.00 H new ATOM 0 HE ARG A 43 -5.315 -6.113 -13.036 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -5.877 -9.506 -13.908 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -7.374 -9.159 -14.780 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -7.252 -5.664 -14.165 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -8.153 -6.979 -14.926 1.00 0.00 H new ATOM 585 N LYS A 44 -1.228 -10.166 -11.010 1.00 0.00 N ATOM 586 CA LYS A 44 -1.393 -10.312 -9.574 1.00 0.00 C ATOM 587 C LYS A 44 -2.370 -9.250 -9.066 1.00 0.00 C ATOM 588 O LYS A 44 -2.192 -8.061 -9.328 1.00 0.00 O ATOM 589 CB LYS A 44 -0.034 -10.283 -8.873 1.00 0.00 C ATOM 590 CG LYS A 44 0.371 -11.682 -8.404 1.00 0.00 C ATOM 591 CD LYS A 44 0.666 -11.693 -6.902 1.00 0.00 C ATOM 592 CE LYS A 44 1.999 -11.008 -6.600 1.00 0.00 C ATOM 593 NZ LYS A 44 3.099 -11.997 -6.582 1.00 0.00 N ATOM 0 H LYS A 44 -0.329 -9.781 -11.299 1.00 0.00 H new ATOM 0 HA LYS A 44 -1.827 -11.283 -9.338 1.00 0.00 H new ATOM 0 HB2 LYS A 44 0.722 -9.891 -9.553 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -0.076 -9.607 -8.019 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -0.428 -12.389 -8.627 1.00 0.00 H new ATOM 0 HG3 LYS A 44 1.252 -12.013 -8.954 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -0.137 -11.186 -6.366 1.00 0.00 H new ATOM 0 HD3 LYS A 44 0.691 -12.721 -6.540 1.00 0.00 H new ATOM 0 HE2 LYS A 44 2.201 -10.245 -7.352 1.00 0.00 H new ATOM 0 HE3 LYS A 44 1.943 -10.500 -5.637 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 3.997 -11.514 -6.375 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 2.913 -12.710 -5.848 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 3.162 -12.463 -7.510 1.00 0.00 H new ATOM 603 N LEU A 45 -3.381 -9.717 -8.349 1.00 0.00 N ATOM 604 CA LEU A 45 -4.386 -8.822 -7.801 1.00 0.00 C ATOM 605 C LEU A 45 -4.150 -8.653 -6.299 1.00 0.00 C ATOM 606 O LEU A 45 -3.659 -9.568 -5.637 1.00 0.00 O ATOM 607 CB LEU A 45 -5.791 -9.316 -8.151 1.00 0.00 C ATOM 608 CG LEU A 45 -6.544 -8.505 -9.207 1.00 0.00 C ATOM 609 CD1 LEU A 45 -5.574 -7.872 -10.206 1.00 0.00 C ATOM 610 CD2 LEU A 45 -7.604 -9.362 -9.903 1.00 0.00 C ATOM 0 H LEU A 45 -3.526 -10.704 -8.135 1.00 0.00 H new ATOM 0 HA LEU A 45 -4.299 -7.833 -8.250 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -5.716 -10.346 -8.498 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -6.387 -9.330 -7.239 1.00 0.00 H new ATOM 0 HG LEU A 45 -7.066 -7.691 -8.704 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -6.135 -7.301 -10.946 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -4.890 -7.208 -9.678 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -5.005 -8.655 -10.707 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -8.125 -8.762 -10.649 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -7.123 -10.210 -10.391 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -8.320 -9.725 -9.166 1.00 0.00 H new ATOM 621 N PHE A 46 -4.508 -7.478 -5.804 1.00 0.00 N ATOM 622 CA PHE A 46 -4.341 -7.178 -4.392 1.00 0.00 C ATOM 623 C PHE A 46 -5.505 -6.335 -3.868 1.00 0.00 C ATOM 624 O PHE A 46 -5.678 -5.187 -4.275 1.00 0.00 O ATOM 625 CB PHE A 46 -3.045 -6.376 -4.255 1.00 0.00 C ATOM 626 CG PHE A 46 -1.843 -7.010 -4.959 1.00 0.00 C ATOM 627 CD1 PHE A 46 -1.665 -6.828 -6.295 1.00 0.00 C ATOM 628 CD2 PHE A 46 -0.955 -7.754 -4.249 1.00 0.00 C ATOM 629 CE1 PHE A 46 -0.550 -7.417 -6.949 1.00 0.00 C ATOM 630 CE2 PHE A 46 0.160 -8.342 -4.903 1.00 0.00 C ATOM 631 CZ PHE A 46 0.339 -8.161 -6.238 1.00 0.00 C ATOM 0 H PHE A 46 -4.913 -6.722 -6.356 1.00 0.00 H new ATOM 0 HA PHE A 46 -4.310 -8.104 -3.817 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -3.204 -5.376 -4.659 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -2.813 -6.259 -3.197 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -2.371 -6.236 -6.858 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -1.097 -7.898 -3.188 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -0.408 -7.274 -8.010 1.00 0.00 H new ATOM 0 HE2 PHE A 46 0.866 -8.933 -4.339 1.00 0.00 H new ATOM 0 HZ PHE A 46 1.188 -8.608 -6.734 1.00 0.00 H new ATOM 640 N TYR A 47 -6.276 -6.938 -2.974 1.00 0.00 N ATOM 641 CA TYR A 47 -7.419 -6.258 -2.392 1.00 0.00 C ATOM 642 C TYR A 47 -6.975 -5.256 -1.323 1.00 0.00 C ATOM 643 O TYR A 47 -6.847 -5.608 -0.152 1.00 0.00 O ATOM 644 CB TYR A 47 -8.266 -7.346 -1.731 1.00 0.00 C ATOM 645 CG TYR A 47 -9.730 -6.954 -1.519 1.00 0.00 C ATOM 646 CD1 TYR A 47 -10.456 -6.408 -2.558 1.00 0.00 C ATOM 647 CD2 TYR A 47 -10.325 -7.146 -0.288 1.00 0.00 C ATOM 648 CE1 TYR A 47 -11.833 -6.039 -2.359 1.00 0.00 C ATOM 649 CE2 TYR A 47 -11.702 -6.777 -0.089 1.00 0.00 C ATOM 650 CZ TYR A 47 -12.388 -6.242 -1.134 1.00 0.00 C ATOM 651 OH TYR A 47 -13.689 -5.893 -0.946 1.00 0.00 O ATOM 0 H TYR A 47 -6.131 -7.890 -2.639 1.00 0.00 H new ATOM 0 HA TYR A 47 -7.967 -5.707 -3.156 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -8.227 -8.246 -2.345 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -7.825 -7.599 -0.767 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -9.991 -6.258 -3.521 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -9.757 -7.573 0.526 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -12.412 -5.611 -3.164 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -12.180 -6.922 0.869 1.00 0.00 H new ATOM 0 HH TYR A 47 -13.952 -6.095 -0.024 1.00 0.00 H new ATOM 660 N VAL A 48 -6.754 -4.027 -1.766 1.00 0.00 N ATOM 661 CA VAL A 48 -6.327 -2.971 -0.863 1.00 0.00 C ATOM 662 C VAL A 48 -7.550 -2.174 -0.404 1.00 0.00 C ATOM 663 O VAL A 48 -8.527 -2.052 -1.140 1.00 0.00 O ATOM 664 CB VAL A 48 -5.265 -2.102 -1.538 1.00 0.00 C ATOM 665 CG1 VAL A 48 -4.124 -2.960 -2.090 1.00 0.00 C ATOM 666 CG2 VAL A 48 -5.883 -1.238 -2.640 1.00 0.00 C ATOM 0 H VAL A 48 -6.863 -3.739 -2.738 1.00 0.00 H new ATOM 0 HA VAL A 48 -5.862 -3.394 0.027 1.00 0.00 H new ATOM 0 HB VAL A 48 -4.848 -1.435 -0.783 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -3.382 -2.317 -2.565 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -3.657 -3.512 -1.275 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -4.519 -3.662 -2.824 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -5.107 -0.630 -3.104 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -6.339 -1.880 -3.393 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -6.644 -0.588 -2.209 1.00 0.00 H new ATOM 676 N HIS A 49 -7.454 -1.652 0.810 1.00 0.00 N ATOM 677 CA HIS A 49 -8.539 -0.869 1.375 1.00 0.00 C ATOM 678 C HIS A 49 -8.070 0.569 1.606 1.00 0.00 C ATOM 679 O HIS A 49 -7.178 0.812 2.418 1.00 0.00 O ATOM 680 CB HIS A 49 -9.079 -1.527 2.646 1.00 0.00 C ATOM 681 CG HIS A 49 -9.840 -0.587 3.550 1.00 0.00 C ATOM 682 ND1 HIS A 49 -11.037 0.003 3.181 1.00 0.00 N ATOM 683 CD2 HIS A 49 -9.564 -0.142 4.809 1.00 0.00 C ATOM 684 CE1 HIS A 49 -11.452 0.767 4.181 1.00 0.00 C ATOM 685 NE2 HIS A 49 -10.538 0.678 5.188 1.00 0.00 N ATOM 0 H HIS A 49 -6.641 -1.756 1.418 1.00 0.00 H new ATOM 0 HA HIS A 49 -9.371 -0.834 0.671 1.00 0.00 H new ATOM 0 HB2 HIS A 49 -9.733 -2.353 2.365 1.00 0.00 H new ATOM 0 HB3 HIS A 49 -8.246 -1.955 3.203 1.00 0.00 H new ATOM 0 HD2 HIS A 49 -8.700 -0.411 5.398 1.00 0.00 H new ATOM 0 HE1 HIS A 49 -12.356 1.357 4.195 1.00 0.00 H new ATOM 0 HE2 HIS A 49 -10.593 1.161 6.085 1.00 0.00 H new ATOM 692 N TYR A 50 -8.691 1.485 0.878 1.00 0.00 N ATOM 693 CA TYR A 50 -8.347 2.893 0.994 1.00 0.00 C ATOM 694 C TYR A 50 -8.697 3.430 2.383 1.00 0.00 C ATOM 695 O TYR A 50 -9.862 3.431 2.778 1.00 0.00 O ATOM 696 CB TYR A 50 -9.196 3.620 -0.050 1.00 0.00 C ATOM 697 CG TYR A 50 -8.628 3.559 -1.468 1.00 0.00 C ATOM 698 CD1 TYR A 50 -8.146 2.366 -1.968 1.00 0.00 C ATOM 699 CD2 TYR A 50 -8.595 4.697 -2.249 1.00 0.00 C ATOM 700 CE1 TYR A 50 -7.609 2.308 -3.302 1.00 0.00 C ATOM 701 CE2 TYR A 50 -8.059 4.639 -3.584 1.00 0.00 C ATOM 702 CZ TYR A 50 -7.593 3.447 -4.045 1.00 0.00 C ATOM 703 OH TYR A 50 -7.087 3.392 -5.306 1.00 0.00 O ATOM 0 H TYR A 50 -9.430 1.280 0.206 1.00 0.00 H new ATOM 0 HA TYR A 50 -7.278 3.042 0.841 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -10.197 3.189 -0.052 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -9.299 4.664 0.244 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -8.172 1.475 -1.358 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -8.971 5.631 -1.858 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -7.227 1.381 -3.704 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -8.028 5.522 -4.205 1.00 0.00 H new ATOM 0 HH TYR A 50 -7.814 3.496 -5.955 1.00 0.00 H new ATOM 712 N ILE A 51 -7.666 3.874 3.087 1.00 0.00 N ATOM 713 CA ILE A 51 -7.849 4.413 4.424 1.00 0.00 C ATOM 714 C ILE A 51 -7.660 5.931 4.388 1.00 0.00 C ATOM 715 O ILE A 51 -6.667 6.423 3.854 1.00 0.00 O ATOM 716 CB ILE A 51 -6.929 3.703 5.419 1.00 0.00 C ATOM 717 CG1 ILE A 51 -5.474 3.745 4.947 1.00 0.00 C ATOM 718 CG2 ILE A 51 -7.404 2.272 5.680 1.00 0.00 C ATOM 719 CD1 ILE A 51 -5.076 2.430 4.276 1.00 0.00 C ATOM 0 H ILE A 51 -6.701 3.871 2.757 1.00 0.00 H new ATOM 0 HA ILE A 51 -8.864 4.226 4.774 1.00 0.00 H new ATOM 0 HB ILE A 51 -6.976 4.237 6.368 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -5.339 4.570 4.247 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -4.818 3.937 5.796 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -6.733 1.790 6.391 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -8.413 2.293 6.091 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -7.405 1.713 4.745 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -4.037 2.487 3.950 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -5.189 1.611 4.986 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -5.718 2.253 3.413 1.00 0.00 H new ATOM 730 N ASP A 52 -8.629 6.629 4.962 1.00 0.00 N ATOM 731 CA ASP A 52 -8.582 8.081 5.002 1.00 0.00 C ATOM 732 C ASP A 52 -9.740 8.602 5.853 1.00 0.00 C ATOM 733 O ASP A 52 -9.530 9.095 6.961 1.00 0.00 O ATOM 734 CB ASP A 52 -8.721 8.675 3.599 1.00 0.00 C ATOM 735 CG ASP A 52 -8.764 10.204 3.546 1.00 0.00 C ATOM 736 OD1 ASP A 52 -9.597 10.775 4.282 1.00 0.00 O ATOM 737 OD2 ASP A 52 -7.962 10.767 2.770 1.00 0.00 O ATOM 0 H ASP A 52 -9.451 6.216 5.403 1.00 0.00 H new ATOM 0 HA ASP A 52 -7.622 8.375 5.425 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -7.886 8.329 2.990 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -9.631 8.285 3.144 1.00 0.00 H new ATOM 741 N PHE A 53 -10.940 8.473 5.305 1.00 0.00 N ATOM 742 CA PHE A 53 -12.134 8.925 6.001 1.00 0.00 C ATOM 743 C PHE A 53 -13.342 8.062 5.632 1.00 0.00 C ATOM 744 O PHE A 53 -14.259 8.529 4.959 1.00 0.00 O ATOM 745 CB PHE A 53 -12.394 10.364 5.555 1.00 0.00 C ATOM 746 CG PHE A 53 -13.491 11.074 6.351 1.00 0.00 C ATOM 747 CD1 PHE A 53 -13.408 11.149 7.706 1.00 0.00 C ATOM 748 CD2 PHE A 53 -14.550 11.629 5.703 1.00 0.00 C ATOM 749 CE1 PHE A 53 -14.426 11.807 8.444 1.00 0.00 C ATOM 750 CE2 PHE A 53 -15.569 12.288 6.441 1.00 0.00 C ATOM 751 CZ PHE A 53 -15.485 12.363 7.796 1.00 0.00 C ATOM 0 H PHE A 53 -11.111 8.062 4.387 1.00 0.00 H new ATOM 0 HA PHE A 53 -11.986 8.854 7.079 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -11.469 10.934 5.643 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -12.668 10.363 4.500 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -12.567 10.708 8.221 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -14.616 11.569 4.627 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -14.360 11.866 9.520 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -16.410 12.729 5.926 1.00 0.00 H new ATOM 0 HZ PHE A 53 -16.259 12.864 8.358 1.00 0.00 H new ATOM 760 N ASN A 54 -13.303 6.819 6.091 1.00 0.00 N ATOM 761 CA ASN A 54 -14.384 5.887 5.817 1.00 0.00 C ATOM 762 C ASN A 54 -13.995 4.498 6.325 1.00 0.00 C ATOM 763 O ASN A 54 -13.043 4.357 7.091 1.00 0.00 O ATOM 764 CB ASN A 54 -14.656 5.783 4.315 1.00 0.00 C ATOM 765 CG ASN A 54 -16.121 6.090 4.000 1.00 0.00 C ATOM 766 OD1 ASN A 54 -16.967 5.213 3.943 1.00 0.00 O ATOM 767 ND2 ASN A 54 -16.372 7.380 3.797 1.00 0.00 N ATOM 0 H ASN A 54 -12.541 6.436 6.650 1.00 0.00 H new ATOM 0 HA ASN A 54 -15.279 6.253 6.320 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -14.011 6.477 3.776 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -14.408 4.781 3.965 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -17.320 7.687 3.578 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -15.617 8.063 3.860 1.00 0.00 H new ATOM 773 N ARG A 55 -14.750 3.506 5.877 1.00 0.00 N ATOM 774 CA ARG A 55 -14.495 2.132 6.276 1.00 0.00 C ATOM 775 C ARG A 55 -15.197 1.163 5.322 1.00 0.00 C ATOM 776 O ARG A 55 -15.632 0.088 5.733 1.00 0.00 O ATOM 777 CB ARG A 55 -14.981 1.874 7.704 1.00 0.00 C ATOM 778 CG ARG A 55 -13.810 1.542 8.631 1.00 0.00 C ATOM 779 CD ARG A 55 -13.805 0.057 8.997 1.00 0.00 C ATOM 780 NE ARG A 55 -12.440 -0.367 9.377 1.00 0.00 N ATOM 781 CZ ARG A 55 -12.029 -1.642 9.408 1.00 0.00 C ATOM 782 NH1 ARG A 55 -12.877 -2.627 9.082 1.00 0.00 N ATOM 783 NH2 ARG A 55 -10.770 -1.932 9.765 1.00 0.00 N ATOM 0 H ARG A 55 -15.539 3.626 5.241 1.00 0.00 H new ATOM 0 HA ARG A 55 -13.418 1.969 6.236 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -15.507 2.753 8.077 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -15.695 1.051 7.706 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -12.871 1.803 8.144 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -13.877 2.143 9.538 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -14.494 -0.125 9.822 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -14.156 -0.535 8.152 1.00 0.00 H new ATOM 0 HE ARG A 55 -11.769 0.357 9.632 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -13.835 -2.406 8.810 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -12.564 -3.598 9.105 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -10.125 -1.182 10.013 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -10.457 -2.903 9.789 1.00 0.00 H new ATOM 794 N ARG A 56 -15.288 1.578 4.068 1.00 0.00 N ATOM 795 CA ARG A 56 -15.930 0.761 3.053 1.00 0.00 C ATOM 796 C ARG A 56 -15.389 1.116 1.666 1.00 0.00 C ATOM 797 O ARG A 56 -16.160 1.397 0.749 1.00 0.00 O ATOM 798 CB ARG A 56 -17.447 0.957 3.067 1.00 0.00 C ATOM 799 CG ARG A 56 -18.173 -0.372 2.842 1.00 0.00 C ATOM 800 CD ARG A 56 -19.157 -0.658 3.978 1.00 0.00 C ATOM 801 NE ARG A 56 -18.941 -2.025 4.502 1.00 0.00 N ATOM 802 CZ ARG A 56 -19.400 -3.137 3.912 1.00 0.00 C ATOM 803 NH1 ARG A 56 -20.104 -3.050 2.775 1.00 0.00 N ATOM 804 NH2 ARG A 56 -19.155 -4.336 4.458 1.00 0.00 N ATOM 0 H ARG A 56 -14.927 2.471 3.731 1.00 0.00 H new ATOM 0 HA ARG A 56 -15.708 -0.282 3.277 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -17.753 1.386 4.021 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -17.733 1.668 2.292 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -18.707 -0.343 1.892 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -17.446 -1.181 2.774 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -19.025 0.072 4.777 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -20.181 -0.555 3.618 1.00 0.00 H new ATOM 0 HE ARG A 56 -18.409 -2.127 5.366 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -20.290 -2.137 2.359 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -20.454 -3.896 2.326 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -18.619 -4.402 5.323 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -19.505 -5.182 4.008 1.00 0.00 H new ATOM 815 N LEU A 57 -14.070 1.090 1.555 1.00 0.00 N ATOM 816 CA LEU A 57 -13.417 1.404 0.296 1.00 0.00 C ATOM 817 C LEU A 57 -12.513 0.240 -0.111 1.00 0.00 C ATOM 818 O LEU A 57 -11.319 0.426 -0.337 1.00 0.00 O ATOM 819 CB LEU A 57 -12.687 2.746 0.391 1.00 0.00 C ATOM 820 CG LEU A 57 -13.561 3.966 0.691 1.00 0.00 C ATOM 821 CD1 LEU A 57 -12.942 4.826 1.794 1.00 0.00 C ATOM 822 CD2 LEU A 57 -13.834 4.772 -0.581 1.00 0.00 C ATOM 0 H LEU A 57 -13.434 0.856 2.318 1.00 0.00 H new ATOM 0 HA LEU A 57 -14.156 1.524 -0.496 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -11.926 2.669 1.168 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -12.165 2.920 -0.550 1.00 0.00 H new ATOM 0 HG LEU A 57 -14.524 3.614 1.061 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -13.583 5.686 1.988 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -12.843 4.235 2.704 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -11.958 5.171 1.477 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -14.457 5.633 -0.339 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -12.890 5.115 -1.004 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -14.350 4.143 -1.307 1.00 0.00 H new ATOM 833 N ASP A 58 -13.117 -0.936 -0.191 1.00 0.00 N ATOM 834 CA ASP A 58 -12.382 -2.132 -0.567 1.00 0.00 C ATOM 835 C ASP A 58 -12.442 -2.307 -2.086 1.00 0.00 C ATOM 836 O ASP A 58 -13.526 -2.365 -2.664 1.00 0.00 O ATOM 837 CB ASP A 58 -12.991 -3.378 0.078 1.00 0.00 C ATOM 838 CG ASP A 58 -13.525 -3.178 1.498 1.00 0.00 C ATOM 839 OD1 ASP A 58 -12.683 -2.963 2.396 1.00 0.00 O ATOM 840 OD2 ASP A 58 -14.763 -3.243 1.652 1.00 0.00 O ATOM 0 H ASP A 58 -14.108 -1.087 -0.002 1.00 0.00 H new ATOM 0 HA ASP A 58 -11.353 -2.016 -0.226 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -13.805 -3.734 -0.553 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -12.236 -4.164 0.098 1.00 0.00 H new ATOM 844 N GLU A 59 -11.265 -2.387 -2.687 1.00 0.00 N ATOM 845 CA GLU A 59 -11.171 -2.555 -4.127 1.00 0.00 C ATOM 846 C GLU A 59 -9.824 -3.176 -4.502 1.00 0.00 C ATOM 847 O GLU A 59 -8.796 -2.837 -3.919 1.00 0.00 O ATOM 848 CB GLU A 59 -11.380 -1.222 -4.849 1.00 0.00 C ATOM 849 CG GLU A 59 -10.183 -0.291 -4.639 1.00 0.00 C ATOM 850 CD GLU A 59 -10.603 1.176 -4.752 1.00 0.00 C ATOM 851 OE1 GLU A 59 -11.055 1.554 -5.854 1.00 0.00 O ATOM 852 OE2 GLU A 59 -10.463 1.886 -3.733 1.00 0.00 O ATOM 0 H GLU A 59 -10.368 -2.339 -2.203 1.00 0.00 H new ATOM 0 HA GLU A 59 -11.963 -3.232 -4.447 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -11.524 -1.400 -5.915 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -12.287 -0.743 -4.480 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -9.744 -0.473 -3.658 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -9.413 -0.511 -5.378 1.00 0.00 H new ATOM 857 N TRP A 60 -9.874 -4.076 -5.474 1.00 0.00 N ATOM 858 CA TRP A 60 -8.670 -4.748 -5.933 1.00 0.00 C ATOM 859 C TRP A 60 -7.894 -3.773 -6.821 1.00 0.00 C ATOM 860 O TRP A 60 -8.490 -2.988 -7.558 1.00 0.00 O ATOM 861 CB TRP A 60 -9.012 -6.059 -6.643 1.00 0.00 C ATOM 862 CG TRP A 60 -9.858 -7.019 -5.804 1.00 0.00 C ATOM 863 CD1 TRP A 60 -11.155 -6.910 -5.483 1.00 0.00 C ATOM 864 CD2 TRP A 60 -9.412 -8.246 -5.188 1.00 0.00 C ATOM 865 NE1 TRP A 60 -11.574 -7.972 -4.707 1.00 0.00 N ATOM 866 CE2 TRP A 60 -10.481 -8.811 -4.523 1.00 0.00 C ATOM 867 CE3 TRP A 60 -8.146 -8.858 -5.194 1.00 0.00 C ATOM 868 CZ2 TRP A 60 -10.394 -10.015 -3.815 1.00 0.00 C ATOM 869 CZ3 TRP A 60 -8.076 -10.061 -4.480 1.00 0.00 C ATOM 870 CH2 TRP A 60 -9.143 -10.643 -3.806 1.00 0.00 C ATOM 0 H TRP A 60 -10.729 -4.355 -5.956 1.00 0.00 H new ATOM 0 HA TRP A 60 -8.039 -5.029 -5.090 1.00 0.00 H new ATOM 0 HB2 TRP A 60 -9.546 -5.832 -7.566 1.00 0.00 H new ATOM 0 HB3 TRP A 60 -8.086 -6.559 -6.926 1.00 0.00 H new ATOM 0 HD1 TRP A 60 -11.792 -6.094 -5.792 1.00 0.00 H new ATOM 0 HE1 TRP A 60 -12.514 -8.115 -4.336 1.00 0.00 H new ATOM 0 HE3 TRP A 60 -7.296 -8.434 -5.708 1.00 0.00 H new ATOM 0 HZ2 TRP A 60 -11.246 -10.437 -3.303 1.00 0.00 H new ATOM 0 HZ3 TRP A 60 -7.125 -10.573 -4.451 1.00 0.00 H new ATOM 0 HH2 TRP A 60 -9.008 -11.575 -3.278 1.00 0.00 H new ATOM 880 N VAL A 61 -6.575 -3.854 -6.722 1.00 0.00 N ATOM 881 CA VAL A 61 -5.711 -2.989 -7.507 1.00 0.00 C ATOM 882 C VAL A 61 -4.639 -3.835 -8.196 1.00 0.00 C ATOM 883 O VAL A 61 -4.693 -5.064 -8.158 1.00 0.00 O ATOM 884 CB VAL A 61 -5.125 -1.889 -6.618 1.00 0.00 C ATOM 885 CG1 VAL A 61 -6.219 -0.935 -6.135 1.00 0.00 C ATOM 886 CG2 VAL A 61 -4.359 -2.488 -5.438 1.00 0.00 C ATOM 0 H VAL A 61 -6.084 -4.506 -6.110 1.00 0.00 H new ATOM 0 HA VAL A 61 -6.281 -2.488 -8.289 1.00 0.00 H new ATOM 0 HB VAL A 61 -4.419 -1.314 -7.217 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -5.777 -0.163 -5.505 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -6.702 -0.470 -6.995 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -6.959 -1.492 -5.560 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -3.953 -1.685 -4.823 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -5.034 -3.099 -4.839 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -3.543 -3.107 -5.811 1.00 0.00 H new ATOM 896 N THR A 62 -3.689 -3.145 -8.810 1.00 0.00 N ATOM 897 CA THR A 62 -2.605 -3.818 -9.506 1.00 0.00 C ATOM 898 C THR A 62 -1.269 -3.529 -8.819 1.00 0.00 C ATOM 899 O THR A 62 -1.168 -2.603 -8.015 1.00 0.00 O ATOM 900 CB THR A 62 -2.642 -3.381 -10.972 1.00 0.00 C ATOM 901 OG1 THR A 62 -2.718 -1.959 -10.909 1.00 0.00 O ATOM 902 CG2 THR A 62 -3.939 -3.793 -11.673 1.00 0.00 C ATOM 0 H THR A 62 -3.647 -2.126 -8.840 1.00 0.00 H new ATOM 0 HA THR A 62 -2.724 -4.901 -9.471 1.00 0.00 H new ATOM 0 HB THR A 62 -1.791 -3.811 -11.500 1.00 0.00 H new ATOM 0 HG1 THR A 62 -2.744 -1.592 -11.817 1.00 0.00 H new ATOM 0 HG21 THR A 62 -3.914 -3.459 -12.710 1.00 0.00 H new ATOM 0 HG22 THR A 62 -4.040 -4.878 -11.644 1.00 0.00 H new ATOM 0 HG23 THR A 62 -4.788 -3.336 -11.165 1.00 0.00 H new ATOM 910 N HIS A 63 -0.277 -4.337 -9.162 1.00 0.00 N ATOM 911 CA HIS A 63 1.049 -4.179 -8.588 1.00 0.00 C ATOM 912 C HIS A 63 1.674 -2.877 -9.091 1.00 0.00 C ATOM 913 O HIS A 63 2.714 -2.451 -8.593 1.00 0.00 O ATOM 914 CB HIS A 63 1.916 -5.405 -8.881 1.00 0.00 C ATOM 915 CG HIS A 63 3.400 -5.149 -8.766 1.00 0.00 C ATOM 916 ND1 HIS A 63 4.321 -5.659 -9.664 1.00 0.00 N ATOM 917 CD2 HIS A 63 4.112 -4.432 -7.850 1.00 0.00 C ATOM 918 CE1 HIS A 63 5.530 -5.261 -9.296 1.00 0.00 C ATOM 919 NE2 HIS A 63 5.398 -4.502 -8.170 1.00 0.00 N ATOM 0 H HIS A 63 -0.364 -5.103 -9.830 1.00 0.00 H new ATOM 0 HA HIS A 63 0.974 -4.109 -7.503 1.00 0.00 H new ATOM 0 HB2 HIS A 63 1.641 -6.205 -8.193 1.00 0.00 H new ATOM 0 HB3 HIS A 63 1.696 -5.761 -9.887 1.00 0.00 H new ATOM 0 HD2 HIS A 63 3.699 -3.898 -7.007 1.00 0.00 H new ATOM 0 HE1 HIS A 63 6.457 -5.496 -9.799 1.00 0.00 H new ATOM 0 HE2 HIS A 63 6.162 -4.061 -7.658 1.00 0.00 H new ATOM 926 N GLU A 64 1.013 -2.280 -10.072 1.00 0.00 N ATOM 927 CA GLU A 64 1.490 -1.035 -10.648 1.00 0.00 C ATOM 928 C GLU A 64 1.217 0.129 -9.694 1.00 0.00 C ATOM 929 O GLU A 64 2.042 1.031 -9.557 1.00 0.00 O ATOM 930 CB GLU A 64 0.854 -0.783 -12.016 1.00 0.00 C ATOM 931 CG GLU A 64 1.603 0.313 -12.776 1.00 0.00 C ATOM 932 CD GLU A 64 1.250 0.287 -14.264 1.00 0.00 C ATOM 933 OE1 GLU A 64 0.156 0.792 -14.598 1.00 0.00 O ATOM 934 OE2 GLU A 64 2.082 -0.238 -15.037 1.00 0.00 O ATOM 0 H GLU A 64 0.150 -2.636 -10.483 1.00 0.00 H new ATOM 0 HA GLU A 64 2.567 -1.115 -10.795 1.00 0.00 H new ATOM 0 HB2 GLU A 64 0.860 -1.704 -12.599 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -0.189 -0.494 -11.888 1.00 0.00 H new ATOM 0 HG2 GLU A 64 1.353 1.287 -12.356 1.00 0.00 H new ATOM 0 HG3 GLU A 64 2.677 0.178 -12.651 1.00 0.00 H new ATOM 939 N ARG A 65 0.055 0.073 -9.059 1.00 0.00 N ATOM 940 CA ARG A 65 -0.337 1.111 -8.122 1.00 0.00 C ATOM 941 C ARG A 65 0.366 0.907 -6.778 1.00 0.00 C ATOM 942 O ARG A 65 0.663 1.873 -6.076 1.00 0.00 O ATOM 943 CB ARG A 65 -1.851 1.113 -7.902 1.00 0.00 C ATOM 944 CG ARG A 65 -2.585 1.595 -9.155 1.00 0.00 C ATOM 945 CD ARG A 65 -3.762 0.675 -9.488 1.00 0.00 C ATOM 946 NE ARG A 65 -4.946 1.481 -9.859 1.00 0.00 N ATOM 947 CZ ARG A 65 -6.131 0.961 -10.205 1.00 0.00 C ATOM 948 NH1 ARG A 65 -6.298 -0.368 -10.230 1.00 0.00 N ATOM 949 NH2 ARG A 65 -7.151 1.770 -10.525 1.00 0.00 N ATOM 0 H ARG A 65 -0.628 -0.676 -9.176 1.00 0.00 H new ATOM 0 HA ARG A 65 -0.042 2.070 -8.549 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -2.186 0.109 -7.643 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -2.099 1.759 -7.060 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -2.946 2.612 -9.001 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -1.893 1.626 -9.997 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -3.493 0.010 -10.309 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -3.995 0.045 -8.630 1.00 0.00 H new ATOM 0 HE ARG A 65 -4.854 2.497 -9.851 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -5.523 -0.984 -9.986 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -7.200 -0.764 -10.493 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -7.025 2.782 -10.505 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -8.053 1.374 -10.788 1.00 0.00 H new ATOM 960 N LEU A 66 0.611 -0.356 -6.460 1.00 0.00 N ATOM 961 CA LEU A 66 1.273 -0.699 -5.213 1.00 0.00 C ATOM 962 C LEU A 66 2.674 -0.086 -5.199 1.00 0.00 C ATOM 963 O LEU A 66 3.590 -0.607 -5.833 1.00 0.00 O ATOM 964 CB LEU A 66 1.262 -2.214 -5.001 1.00 0.00 C ATOM 965 CG LEU A 66 -0.113 -2.885 -5.019 1.00 0.00 C ATOM 966 CD1 LEU A 66 0.018 -4.403 -5.152 1.00 0.00 C ATOM 967 CD2 LEU A 66 -0.935 -2.486 -3.791 1.00 0.00 C ATOM 0 H LEU A 66 0.363 -1.154 -7.045 1.00 0.00 H new ATOM 0 HA LEU A 66 0.732 -0.277 -4.366 1.00 0.00 H new ATOM 0 HB2 LEU A 66 1.878 -2.673 -5.774 1.00 0.00 H new ATOM 0 HB3 LEU A 66 1.737 -2.430 -4.044 1.00 0.00 H new ATOM 0 HG LEU A 66 -0.653 -2.531 -5.897 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -0.974 -4.854 -5.162 1.00 0.00 H new ATOM 0 HD12 LEU A 66 0.536 -4.644 -6.081 1.00 0.00 H new ATOM 0 HD13 LEU A 66 0.586 -4.795 -4.308 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -1.907 -2.977 -3.829 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -0.409 -2.792 -2.886 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -1.074 -1.405 -3.782 1.00 0.00 H new ATOM 978 N ASP A 67 2.798 1.013 -4.468 1.00 0.00 N ATOM 979 CA ASP A 67 4.072 1.702 -4.364 1.00 0.00 C ATOM 980 C ASP A 67 4.863 1.126 -3.188 1.00 0.00 C ATOM 981 O ASP A 67 4.915 1.727 -2.116 1.00 0.00 O ATOM 982 CB ASP A 67 3.870 3.197 -4.110 1.00 0.00 C ATOM 983 CG ASP A 67 5.159 4.004 -3.937 1.00 0.00 C ATOM 984 OD1 ASP A 67 6.068 3.481 -3.257 1.00 0.00 O ATOM 985 OD2 ASP A 67 5.205 5.125 -4.488 1.00 0.00 O ATOM 0 H ASP A 67 2.037 1.442 -3.942 1.00 0.00 H new ATOM 0 HA ASP A 67 4.608 1.565 -5.303 1.00 0.00 H new ATOM 0 HB2 ASP A 67 3.304 3.618 -4.941 1.00 0.00 H new ATOM 0 HB3 ASP A 67 3.260 3.319 -3.215 1.00 0.00 H new ATOM 989 N LEU A 68 5.460 -0.032 -3.428 1.00 0.00 N ATOM 990 CA LEU A 68 6.246 -0.696 -2.402 1.00 0.00 C ATOM 991 C LEU A 68 7.349 0.249 -1.920 1.00 0.00 C ATOM 992 O LEU A 68 7.920 0.047 -0.849 1.00 0.00 O ATOM 993 CB LEU A 68 6.767 -2.040 -2.913 1.00 0.00 C ATOM 994 CG LEU A 68 5.820 -2.825 -3.824 1.00 0.00 C ATOM 995 CD1 LEU A 68 6.191 -4.309 -3.853 1.00 0.00 C ATOM 996 CD2 LEU A 68 4.362 -2.606 -3.418 1.00 0.00 C ATOM 0 H LEU A 68 5.415 -0.528 -4.318 1.00 0.00 H new ATOM 0 HA LEU A 68 5.625 -0.929 -1.537 1.00 0.00 H new ATOM 0 HB2 LEU A 68 7.697 -1.865 -3.454 1.00 0.00 H new ATOM 0 HB3 LEU A 68 7.011 -2.663 -2.053 1.00 0.00 H new ATOM 0 HG LEU A 68 5.931 -2.446 -4.840 1.00 0.00 H new ATOM 0 HD11 LEU A 68 5.502 -4.843 -4.508 1.00 0.00 H new ATOM 0 HD12 LEU A 68 7.209 -4.422 -4.227 1.00 0.00 H new ATOM 0 HD13 LEU A 68 6.127 -4.720 -2.845 1.00 0.00 H new ATOM 0 HD21 LEU A 68 3.710 -3.175 -4.081 1.00 0.00 H new ATOM 0 HD22 LEU A 68 4.216 -2.941 -2.391 1.00 0.00 H new ATOM 0 HD23 LEU A 68 4.119 -1.546 -3.492 1.00 0.00 H new ATOM 1007 N LYS A 69 7.616 1.259 -2.734 1.00 0.00 N ATOM 1008 CA LYS A 69 8.640 2.235 -2.404 1.00 0.00 C ATOM 1009 C LYS A 69 8.189 3.053 -1.193 1.00 0.00 C ATOM 1010 O LYS A 69 8.969 3.821 -0.633 1.00 0.00 O ATOM 1011 CB LYS A 69 8.984 3.086 -3.628 1.00 0.00 C ATOM 1012 CG LYS A 69 9.258 2.205 -4.849 1.00 0.00 C ATOM 1013 CD LYS A 69 10.480 2.705 -5.622 1.00 0.00 C ATOM 1014 CE LYS A 69 10.306 2.482 -7.126 1.00 0.00 C ATOM 1015 NZ LYS A 69 11.053 1.281 -7.562 1.00 0.00 N ATOM 0 H LYS A 69 7.141 1.423 -3.622 1.00 0.00 H new ATOM 0 HA LYS A 69 9.566 1.734 -2.123 1.00 0.00 H new ATOM 0 HB2 LYS A 69 8.161 3.768 -3.844 1.00 0.00 H new ATOM 0 HB3 LYS A 69 9.859 3.700 -3.414 1.00 0.00 H new ATOM 0 HG2 LYS A 69 9.421 1.176 -4.530 1.00 0.00 H new ATOM 0 HG3 LYS A 69 8.386 2.202 -5.503 1.00 0.00 H new ATOM 0 HD2 LYS A 69 10.632 3.766 -5.423 1.00 0.00 H new ATOM 0 HD3 LYS A 69 11.373 2.185 -5.274 1.00 0.00 H new ATOM 0 HE2 LYS A 69 9.248 2.365 -7.362 1.00 0.00 H new ATOM 0 HE3 LYS A 69 10.660 3.356 -7.673 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 10.924 1.144 -8.585 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 12.064 1.407 -7.354 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 10.696 0.447 -7.054 1.00 0.00 H new ATOM 1025 N LYS A 70 6.930 2.861 -0.826 1.00 0.00 N ATOM 1026 CA LYS A 70 6.364 3.573 0.308 1.00 0.00 C ATOM 1027 C LYS A 70 5.585 2.589 1.184 1.00 0.00 C ATOM 1028 O LYS A 70 4.760 2.999 1.999 1.00 0.00 O ATOM 1029 CB LYS A 70 5.533 4.765 -0.168 1.00 0.00 C ATOM 1030 CG LYS A 70 6.406 5.786 -0.901 1.00 0.00 C ATOM 1031 CD LYS A 70 5.989 7.215 -0.551 1.00 0.00 C ATOM 1032 CE LYS A 70 6.796 8.234 -1.358 1.00 0.00 C ATOM 1033 NZ LYS A 70 6.369 8.228 -2.776 1.00 0.00 N ATOM 0 H LYS A 70 6.286 2.223 -1.294 1.00 0.00 H new ATOM 0 HA LYS A 70 7.156 3.995 0.928 1.00 0.00 H new ATOM 0 HB2 LYS A 70 4.740 4.418 -0.830 1.00 0.00 H new ATOM 0 HB3 LYS A 70 5.051 5.240 0.686 1.00 0.00 H new ATOM 0 HG2 LYS A 70 7.452 5.633 -0.635 1.00 0.00 H new ATOM 0 HG3 LYS A 70 6.325 5.633 -1.977 1.00 0.00 H new ATOM 0 HD2 LYS A 70 4.926 7.347 -0.751 1.00 0.00 H new ATOM 0 HD3 LYS A 70 6.137 7.390 0.515 1.00 0.00 H new ATOM 0 HE2 LYS A 70 6.661 9.230 -0.936 1.00 0.00 H new ATOM 0 HE3 LYS A 70 7.859 8.000 -1.291 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 6.787 9.044 -3.268 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 6.688 7.349 -3.231 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 5.332 8.287 -2.827 1.00 0.00 H new ATOM 1043 N ILE A 71 5.875 1.311 0.985 1.00 0.00 N ATOM 1044 CA ILE A 71 5.211 0.266 1.746 1.00 0.00 C ATOM 1045 C ILE A 71 5.473 0.484 3.238 1.00 0.00 C ATOM 1046 O ILE A 71 6.402 1.198 3.611 1.00 0.00 O ATOM 1047 CB ILE A 71 5.634 -1.114 1.242 1.00 0.00 C ATOM 1048 CG1 ILE A 71 4.413 -1.969 0.894 1.00 0.00 C ATOM 1049 CG2 ILE A 71 6.551 -1.809 2.251 1.00 0.00 C ATOM 1050 CD1 ILE A 71 4.822 -3.411 0.591 1.00 0.00 C ATOM 0 H ILE A 71 6.560 0.976 0.308 1.00 0.00 H new ATOM 0 HA ILE A 71 4.132 0.315 1.601 1.00 0.00 H new ATOM 0 HB ILE A 71 6.207 -0.981 0.324 1.00 0.00 H new ATOM 0 HG12 ILE A 71 3.706 -1.954 1.724 1.00 0.00 H new ATOM 0 HG13 ILE A 71 3.901 -1.544 0.031 1.00 0.00 H new ATOM 0 HG21 ILE A 71 6.837 -2.789 1.868 1.00 0.00 H new ATOM 0 HG22 ILE A 71 7.445 -1.205 2.407 1.00 0.00 H new ATOM 0 HG23 ILE A 71 6.025 -1.929 3.198 1.00 0.00 H new ATOM 0 HD11 ILE A 71 3.936 -3.997 0.347 1.00 0.00 H new ATOM 0 HD12 ILE A 71 5.510 -3.424 -0.254 1.00 0.00 H new ATOM 0 HD13 ILE A 71 5.312 -3.841 1.464 1.00 0.00 H new ATOM 1061 N GLN A 72 4.638 -0.146 4.050 1.00 0.00 N ATOM 1062 CA GLN A 72 4.768 -0.031 5.493 1.00 0.00 C ATOM 1063 C GLN A 72 4.303 -1.320 6.174 1.00 0.00 C ATOM 1064 O GLN A 72 3.335 -1.312 6.933 1.00 0.00 O ATOM 1065 CB GLN A 72 3.990 1.178 6.019 1.00 0.00 C ATOM 1066 CG GLN A 72 4.800 2.465 5.854 1.00 0.00 C ATOM 1067 CD GLN A 72 4.351 3.528 6.859 1.00 0.00 C ATOM 1068 OE1 GLN A 72 4.881 3.650 7.952 1.00 0.00 O ATOM 1069 NE2 GLN A 72 3.346 4.287 6.431 1.00 0.00 N ATOM 0 H GLN A 72 3.869 -0.738 3.737 1.00 0.00 H new ATOM 0 HA GLN A 72 5.820 0.123 5.731 1.00 0.00 H new ATOM 0 HB2 GLN A 72 3.045 1.268 5.484 1.00 0.00 H new ATOM 0 HB3 GLN A 72 3.747 1.029 7.071 1.00 0.00 H new ATOM 0 HG2 GLN A 72 5.860 2.252 5.993 1.00 0.00 H new ATOM 0 HG3 GLN A 72 4.682 2.846 4.839 1.00 0.00 H new ATOM 0 HE21 GLN A 72 2.948 4.132 5.505 1.00 0.00 H new ATOM 0 HE22 GLN A 72 2.973 5.024 7.029 1.00 0.00 H new ATOM 1076 N PHE A 73 5.014 -2.398 5.876 1.00 0.00 N ATOM 1077 CA PHE A 73 4.687 -3.692 6.449 1.00 0.00 C ATOM 1078 C PHE A 73 4.208 -3.546 7.895 1.00 0.00 C ATOM 1079 O PHE A 73 4.575 -2.593 8.581 1.00 0.00 O ATOM 1080 CB PHE A 73 5.968 -4.526 6.431 1.00 0.00 C ATOM 1081 CG PHE A 73 6.233 -5.233 5.100 1.00 0.00 C ATOM 1082 CD1 PHE A 73 6.783 -4.546 4.063 1.00 0.00 C ATOM 1083 CD2 PHE A 73 5.917 -6.548 4.954 1.00 0.00 C ATOM 1084 CE1 PHE A 73 7.027 -5.202 2.827 1.00 0.00 C ATOM 1085 CE2 PHE A 73 6.162 -7.203 3.717 1.00 0.00 C ATOM 1086 CZ PHE A 73 6.711 -6.517 2.681 1.00 0.00 C ATOM 0 H PHE A 73 5.815 -2.401 5.245 1.00 0.00 H new ATOM 0 HA PHE A 73 3.888 -4.161 5.875 1.00 0.00 H new ATOM 0 HB2 PHE A 73 6.814 -3.878 6.661 1.00 0.00 H new ATOM 0 HB3 PHE A 73 5.914 -5.273 7.223 1.00 0.00 H new ATOM 0 HD1 PHE A 73 7.034 -3.502 4.179 1.00 0.00 H new ATOM 0 HD2 PHE A 73 5.480 -7.094 5.777 1.00 0.00 H new ATOM 0 HE1 PHE A 73 7.463 -4.657 2.003 1.00 0.00 H new ATOM 0 HE2 PHE A 73 5.912 -8.247 3.600 1.00 0.00 H new ATOM 0 HZ PHE A 73 6.897 -7.016 1.741 1.00 0.00 H new ATOM 1095 N PRO A 74 3.374 -4.530 8.326 1.00 0.00 N ATOM 1096 CA PRO A 74 2.842 -4.521 9.678 1.00 0.00 C ATOM 1097 C PRO A 74 3.910 -4.934 10.692 1.00 0.00 C ATOM 1098 O PRO A 74 4.797 -5.726 10.376 1.00 0.00 O ATOM 1099 CB PRO A 74 1.657 -5.474 9.641 1.00 0.00 C ATOM 1100 CG PRO A 74 1.852 -6.333 8.402 1.00 0.00 C ATOM 1101 CD PRO A 74 2.918 -5.674 7.541 1.00 0.00 C ATOM 0 HA PRO A 74 2.528 -3.528 9.999 1.00 0.00 H new ATOM 0 HB2 PRO A 74 1.622 -6.088 10.541 1.00 0.00 H new ATOM 0 HB3 PRO A 74 0.716 -4.926 9.592 1.00 0.00 H new ATOM 0 HG2 PRO A 74 2.156 -7.342 8.681 1.00 0.00 H new ATOM 0 HG3 PRO A 74 0.917 -6.424 7.849 1.00 0.00 H new ATOM 0 HD2 PRO A 74 3.737 -6.361 7.330 1.00 0.00 H new ATOM 0 HD3 PRO A 74 2.512 -5.358 6.580 1.00 0.00 H new ATOM 1106 N LYS A 75 3.790 -4.380 11.889 1.00 0.00 N ATOM 1107 CA LYS A 75 4.735 -4.682 12.951 1.00 0.00 C ATOM 1108 C LYS A 75 4.707 -6.184 13.243 1.00 0.00 C ATOM 1109 O LYS A 75 3.635 -6.777 13.356 1.00 0.00 O ATOM 1110 CB LYS A 75 4.456 -3.813 14.179 1.00 0.00 C ATOM 1111 CG LYS A 75 5.356 -4.212 15.350 1.00 0.00 C ATOM 1112 CD LYS A 75 4.586 -5.048 16.374 1.00 0.00 C ATOM 1113 CE LYS A 75 3.766 -4.154 17.306 1.00 0.00 C ATOM 1114 NZ LYS A 75 3.215 -4.943 18.430 1.00 0.00 N ATOM 0 H LYS A 75 3.053 -3.724 12.147 1.00 0.00 H new ATOM 0 HA LYS A 75 5.750 -4.437 12.638 1.00 0.00 H new ATOM 0 HB2 LYS A 75 4.619 -2.764 13.931 1.00 0.00 H new ATOM 0 HB3 LYS A 75 3.410 -3.913 14.469 1.00 0.00 H new ATOM 0 HG2 LYS A 75 6.210 -4.780 14.980 1.00 0.00 H new ATOM 0 HG3 LYS A 75 5.752 -3.317 15.830 1.00 0.00 H new ATOM 0 HD2 LYS A 75 3.925 -5.744 15.857 1.00 0.00 H new ATOM 0 HD3 LYS A 75 5.284 -5.646 16.959 1.00 0.00 H new ATOM 0 HE2 LYS A 75 4.392 -3.349 17.692 1.00 0.00 H new ATOM 0 HE3 LYS A 75 2.954 -3.687 16.749 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 2.661 -4.321 19.053 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 2.601 -5.695 18.058 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 3.995 -5.368 18.971 1.00 0.00 H new ATOM 1124 N LYS A 76 5.897 -6.755 13.354 1.00 0.00 N ATOM 1125 CA LYS A 76 6.022 -8.176 13.629 1.00 0.00 C ATOM 1126 C LYS A 76 7.443 -8.474 14.112 1.00 0.00 C ATOM 1127 O LYS A 76 8.332 -7.632 13.995 1.00 0.00 O ATOM 1128 CB LYS A 76 5.602 -8.997 12.408 1.00 0.00 C ATOM 1129 CG LYS A 76 6.564 -8.774 11.240 1.00 0.00 C ATOM 1130 CD LYS A 76 6.632 -10.010 10.340 1.00 0.00 C ATOM 1131 CE LYS A 76 6.691 -9.611 8.865 1.00 0.00 C ATOM 1132 NZ LYS A 76 8.043 -9.856 8.315 1.00 0.00 N ATOM 0 H LYS A 76 6.783 -6.259 13.258 1.00 0.00 H new ATOM 0 HA LYS A 76 5.344 -8.470 14.430 1.00 0.00 H new ATOM 0 HB2 LYS A 76 5.579 -10.055 12.668 1.00 0.00 H new ATOM 0 HB3 LYS A 76 4.591 -8.720 12.109 1.00 0.00 H new ATOM 0 HG2 LYS A 76 6.239 -7.913 10.656 1.00 0.00 H new ATOM 0 HG3 LYS A 76 7.558 -8.543 11.622 1.00 0.00 H new ATOM 0 HD2 LYS A 76 7.510 -10.603 10.596 1.00 0.00 H new ATOM 0 HD3 LYS A 76 5.760 -10.640 10.515 1.00 0.00 H new ATOM 0 HE2 LYS A 76 5.953 -10.179 8.299 1.00 0.00 H new ATOM 0 HE3 LYS A 76 6.433 -8.557 8.757 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 8.065 -9.580 7.313 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 8.740 -9.295 8.845 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 8.275 -10.866 8.401 1.00 0.00 H new ATOM 1142 N GLU A 77 7.613 -9.675 14.644 1.00 0.00 N ATOM 1143 CA GLU A 77 8.911 -10.095 15.145 1.00 0.00 C ATOM 1144 C GLU A 77 9.745 -10.702 14.015 1.00 0.00 C ATOM 1145 O GLU A 77 9.571 -11.869 13.668 1.00 0.00 O ATOM 1146 CB GLU A 77 8.758 -11.082 16.304 1.00 0.00 C ATOM 1147 CG GLU A 77 8.961 -10.382 17.650 1.00 0.00 C ATOM 1148 CD GLU A 77 10.267 -10.831 18.309 1.00 0.00 C ATOM 1149 OE1 GLU A 77 10.426 -12.060 18.477 1.00 0.00 O ATOM 1150 OE2 GLU A 77 11.077 -9.935 18.631 1.00 0.00 O ATOM 0 H GLU A 77 6.874 -10.371 14.739 1.00 0.00 H new ATOM 0 HA GLU A 77 9.433 -9.217 15.525 1.00 0.00 H new ATOM 0 HB2 GLU A 77 7.768 -11.536 16.272 1.00 0.00 H new ATOM 0 HB3 GLU A 77 9.482 -11.889 16.197 1.00 0.00 H new ATOM 0 HG2 GLU A 77 8.976 -9.302 17.504 1.00 0.00 H new ATOM 0 HG3 GLU A 77 8.122 -10.603 18.309 1.00 0.00 H new ATOM 1155 N ALA A 78 10.634 -9.882 13.472 1.00 0.00 N ATOM 1156 CA ALA A 78 11.494 -10.324 12.389 1.00 0.00 C ATOM 1157 C ALA A 78 12.684 -9.368 12.266 1.00 0.00 C ATOM 1158 O ALA A 78 13.831 -9.773 12.442 1.00 0.00 O ATOM 1159 CB ALA A 78 10.683 -10.414 11.095 1.00 0.00 C ATOM 0 H ALA A 78 10.776 -8.915 13.762 1.00 0.00 H new ATOM 0 HA ALA A 78 11.889 -11.319 12.595 1.00 0.00 H new ATOM 0 HB1 ALA A 78 11.330 -10.746 10.283 1.00 0.00 H new ATOM 0 HB2 ALA A 78 9.869 -11.127 11.225 1.00 0.00 H new ATOM 0 HB3 ALA A 78 10.272 -9.434 10.854 1.00 0.00 H new ATOM 1165 N LYS A 79 12.367 -8.118 11.965 1.00 0.00 N ATOM 1166 CA LYS A 79 13.394 -7.101 11.816 1.00 0.00 C ATOM 1167 C LYS A 79 13.589 -6.380 13.152 1.00 0.00 C ATOM 1168 O LYS A 79 12.965 -5.351 13.403 1.00 0.00 O ATOM 1169 CB LYS A 79 13.057 -6.163 10.656 1.00 0.00 C ATOM 1170 CG LYS A 79 13.470 -6.777 9.316 1.00 0.00 C ATOM 1171 CD LYS A 79 12.846 -6.013 8.147 1.00 0.00 C ATOM 1172 CE LYS A 79 12.899 -6.840 6.861 1.00 0.00 C ATOM 1173 NZ LYS A 79 12.258 -6.108 5.747 1.00 0.00 N ATOM 0 H LYS A 79 11.414 -7.786 11.820 1.00 0.00 H new ATOM 0 HA LYS A 79 14.348 -7.560 11.557 1.00 0.00 H new ATOM 0 HB2 LYS A 79 11.987 -5.956 10.651 1.00 0.00 H new ATOM 0 HB3 LYS A 79 13.566 -5.209 10.795 1.00 0.00 H new ATOM 0 HG2 LYS A 79 14.556 -6.764 9.225 1.00 0.00 H new ATOM 0 HG3 LYS A 79 13.160 -7.821 9.279 1.00 0.00 H new ATOM 0 HD2 LYS A 79 11.811 -5.765 8.381 1.00 0.00 H new ATOM 0 HD3 LYS A 79 13.374 -5.071 8.000 1.00 0.00 H new ATOM 0 HE2 LYS A 79 13.935 -7.064 6.608 1.00 0.00 H new ATOM 0 HE3 LYS A 79 12.395 -7.794 7.014 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 12.303 -6.684 4.882 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 11.264 -5.916 5.984 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 12.756 -5.209 5.590 1.00 0.00 H new ATOM 1183 N THR A 80 14.459 -6.950 13.974 1.00 0.00 N ATOM 1184 CA THR A 80 14.744 -6.375 15.277 1.00 0.00 C ATOM 1185 C THR A 80 15.227 -4.932 15.129 1.00 0.00 C ATOM 1186 O THR A 80 15.906 -4.597 14.159 1.00 0.00 O ATOM 1187 CB THR A 80 15.751 -7.283 15.985 1.00 0.00 C ATOM 1188 OG1 THR A 80 15.993 -6.632 17.228 1.00 0.00 O ATOM 1189 CG2 THR A 80 17.118 -7.291 15.296 1.00 0.00 C ATOM 0 H THR A 80 14.975 -7.804 13.762 1.00 0.00 H new ATOM 0 HA THR A 80 13.845 -6.322 15.891 1.00 0.00 H new ATOM 0 HB THR A 80 15.358 -8.299 16.024 1.00 0.00 H new ATOM 0 HG1 THR A 80 16.635 -7.155 17.752 1.00 0.00 H new ATOM 0 HG21 THR A 80 17.795 -7.951 15.839 1.00 0.00 H new ATOM 0 HG22 THR A 80 17.007 -7.647 14.272 1.00 0.00 H new ATOM 0 HG23 THR A 80 17.526 -6.280 15.286 1.00 0.00 H new ATOM 1197 N PRO A 81 14.849 -4.093 16.131 1.00 0.00 N ATOM 1198 CA PRO A 81 15.237 -2.692 16.122 1.00 0.00 C ATOM 1199 C PRO A 81 16.711 -2.529 16.495 1.00 0.00 C ATOM 1200 O PRO A 81 17.041 -2.334 17.664 1.00 0.00 O ATOM 1201 CB PRO A 81 14.296 -2.018 17.107 1.00 0.00 C ATOM 1202 CG PRO A 81 13.730 -3.131 17.972 1.00 0.00 C ATOM 1203 CD PRO A 81 14.045 -4.454 17.295 1.00 0.00 C ATOM 0 HA PRO A 81 15.151 -2.237 15.135 1.00 0.00 H new ATOM 0 HB2 PRO A 81 14.826 -1.284 17.713 1.00 0.00 H new ATOM 0 HB3 PRO A 81 13.500 -1.486 16.585 1.00 0.00 H new ATOM 0 HG2 PRO A 81 14.168 -3.099 18.970 1.00 0.00 H new ATOM 0 HG3 PRO A 81 12.653 -3.011 18.092 1.00 0.00 H new ATOM 0 HD2 PRO A 81 14.592 -5.120 17.963 1.00 0.00 H new ATOM 0 HD3 PRO A 81 13.134 -4.975 17.001 1.00 0.00 H new ATOM 1208 N SER A 82 17.558 -2.615 15.480 1.00 0.00 N ATOM 1209 CA SER A 82 18.990 -2.480 15.687 1.00 0.00 C ATOM 1210 C SER A 82 19.501 -3.618 16.573 1.00 0.00 C ATOM 1211 O SER A 82 18.878 -3.955 17.578 1.00 0.00 O ATOM 1212 CB SER A 82 19.330 -1.126 16.314 1.00 0.00 C ATOM 1213 OG SER A 82 20.367 -0.454 15.604 1.00 0.00 O ATOM 0 H SER A 82 17.280 -2.776 14.512 1.00 0.00 H new ATOM 0 HA SER A 82 19.482 -2.535 14.716 1.00 0.00 H new ATOM 0 HB2 SER A 82 18.438 -0.500 16.331 1.00 0.00 H new ATOM 0 HB3 SER A 82 19.636 -1.273 17.350 1.00 0.00 H new ATOM 0 HG SER A 82 20.554 0.407 16.034 1.00 0.00 H new ATOM 1218 N GLY A 83 20.631 -4.180 16.166 1.00 0.00 N ATOM 1219 CA GLY A 83 21.232 -5.273 16.910 1.00 0.00 C ATOM 1220 C GLY A 83 21.623 -6.421 15.977 1.00 0.00 C ATOM 1221 O GLY A 83 20.937 -6.686 14.991 1.00 0.00 O ATOM 0 H GLY A 83 21.145 -3.898 15.331 1.00 0.00 H new ATOM 0 HA2 GLY A 83 22.114 -4.915 17.441 1.00 0.00 H new ATOM 0 HA3 GLY A 83 20.531 -5.634 17.663 1.00 0.00 H new ATOM 1225 N PRO A 84 22.754 -7.089 16.331 1.00 0.00 N ATOM 1226 CA PRO A 84 23.244 -8.202 15.536 1.00 0.00 C ATOM 1227 C PRO A 84 22.392 -9.454 15.760 1.00 0.00 C ATOM 1228 O PRO A 84 22.824 -10.390 16.430 1.00 0.00 O ATOM 1229 CB PRO A 84 24.691 -8.384 15.964 1.00 0.00 C ATOM 1230 CG PRO A 84 24.822 -7.677 17.303 1.00 0.00 C ATOM 1231 CD PRO A 84 23.592 -6.804 17.491 1.00 0.00 C ATOM 0 HA PRO A 84 23.180 -8.013 14.464 1.00 0.00 H new ATOM 0 HB2 PRO A 84 24.941 -9.441 16.054 1.00 0.00 H new ATOM 0 HB3 PRO A 84 25.372 -7.957 15.228 1.00 0.00 H new ATOM 0 HG2 PRO A 84 24.902 -8.403 18.112 1.00 0.00 H new ATOM 0 HG3 PRO A 84 25.728 -7.071 17.328 1.00 0.00 H new ATOM 0 HD2 PRO A 84 23.076 -7.043 18.421 1.00 0.00 H new ATOM 0 HD3 PRO A 84 23.859 -5.748 17.537 1.00 0.00 H new ATOM 1236 N SER A 85 21.197 -9.428 15.189 1.00 0.00 N ATOM 1237 CA SER A 85 20.282 -10.549 15.319 1.00 0.00 C ATOM 1238 C SER A 85 20.074 -11.215 13.957 1.00 0.00 C ATOM 1239 O SER A 85 20.230 -10.576 12.919 1.00 0.00 O ATOM 1240 CB SER A 85 18.940 -10.099 15.901 1.00 0.00 C ATOM 1241 OG SER A 85 18.695 -10.670 17.183 1.00 0.00 O ATOM 0 H SER A 85 20.841 -8.649 14.635 1.00 0.00 H new ATOM 0 HA SER A 85 20.721 -11.272 16.006 1.00 0.00 H new ATOM 0 HB2 SER A 85 18.925 -9.012 15.980 1.00 0.00 H new ATOM 0 HB3 SER A 85 18.137 -10.380 15.220 1.00 0.00 H new ATOM 0 HG SER A 85 17.830 -10.357 17.521 1.00 0.00 H new ATOM 1246 N SER A 86 19.724 -12.492 14.007 1.00 0.00 N ATOM 1247 CA SER A 86 19.493 -13.252 12.790 1.00 0.00 C ATOM 1248 C SER A 86 18.443 -14.336 13.042 1.00 0.00 C ATOM 1249 O SER A 86 18.763 -15.410 13.550 1.00 0.00 O ATOM 1250 CB SER A 86 20.791 -13.879 12.278 1.00 0.00 C ATOM 1251 OG SER A 86 20.785 -14.035 10.861 1.00 0.00 O ATOM 0 H SER A 86 19.595 -13.019 14.871 1.00 0.00 H new ATOM 0 HA SER A 86 19.125 -12.569 12.024 1.00 0.00 H new ATOM 0 HB2 SER A 86 21.635 -13.255 12.571 1.00 0.00 H new ATOM 0 HB3 SER A 86 20.935 -14.851 12.749 1.00 0.00 H new ATOM 0 HG SER A 86 21.631 -14.437 10.573 1.00 0.00 H new ATOM 1256 N GLY A 87 17.210 -14.018 12.674 1.00 0.00 N ATOM 1257 CA GLY A 87 16.111 -14.951 12.854 1.00 0.00 C ATOM 1258 C GLY A 87 16.261 -16.160 11.928 1.00 0.00 C ATOM 1259 O GLY A 87 15.982 -17.289 12.326 1.00 0.00 O ATOM 0 H GLY A 87 16.948 -13.127 12.252 1.00 0.00 H new ATOM 0 HA2 GLY A 87 16.079 -15.285 13.891 1.00 0.00 H new ATOM 0 HA3 GLY A 87 15.165 -14.448 12.651 1.00 0.00 H new TER 1263 GLY A 87