USER MOD reduce.3.24.130724 H: found=0, std=0, add=704, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 702 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 33 THR OG1 : rot -47:sc= 1.99 USER MOD Set 1.2: A 35 THR OG1 : rot -48:sc= 0.611 USER MOD Set 2.1: A 2 SER OG : rot 90:sc= 1.27 USER MOD Set 2.2: A 13 ASN : amide:sc= 0.768 K(o=2,f=1.2) USER MOD Single : A 1 GLY N :NH3+ 151:sc= 0.0134 (180deg=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 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 THR OG1 : rot 59:sc= 1.31 USER MOD Single : A 25 TYR OH : rot -148:sc= -0.314 USER MOD Single : A 26 SER OG : rot -160:sc= 0 USER MOD Single : A 37 THR OG1 : rot -150:sc= 0 USER MOD Single : A 44 THR OG1 : rot -69:sc= 0.325 USER MOD Single : A 46 THR OG1 : rot 180:sc= 0.0497 USER MOD Single : A 47 GLN : amide:sc= -0.0585 K(o=-0.059,f=-0.91) USER MOD Single : A 48 ASN : amide:sc= -1.54 K(o=-1.5,f=-2.5!) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 THR OG1 : rot 77:sc= 1.24 USER MOD Single : A 65 GLN : amide:sc= -1.64 K(o=-1.6,f=-2.5!) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 90 SER OG : rot 68:sc= 1.18 USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -10.010 -2.370 -3.024 1.00 0.00 N ATOM 2 CA GLY A 1 -10.446 -3.762 -2.929 1.00 0.00 C ATOM 3 C GLY A 1 -9.594 -4.491 -1.917 1.00 0.00 C ATOM 4 O GLY A 1 -8.371 -4.358 -1.960 1.00 0.00 O ATOM 0 H1 GLY A 1 -10.205 -2.010 -3.980 1.00 0.00 H new ATOM 0 H2 GLY A 1 -10.525 -1.796 -2.326 1.00 0.00 H new ATOM 0 H3 GLY A 1 -8.989 -2.312 -2.833 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -11.495 -3.806 -2.636 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -10.367 -4.246 -3.902 1.00 0.00 H new ATOM 8 N SER A 2 -10.232 -5.256 -1.035 1.00 0.00 N ATOM 9 CA SER A 2 -9.631 -6.151 -0.061 1.00 0.00 C ATOM 10 C SER A 2 -10.465 -7.437 -0.094 1.00 0.00 C ATOM 11 O SER A 2 -11.692 -7.370 -0.003 1.00 0.00 O ATOM 12 CB SER A 2 -9.653 -5.495 1.328 1.00 0.00 C ATOM 13 OG SER A 2 -8.915 -4.280 1.339 1.00 0.00 O ATOM 0 H SER A 2 -11.251 -5.265 -0.982 1.00 0.00 H new ATOM 0 HA SER A 2 -8.588 -6.370 -0.289 1.00 0.00 H new ATOM 0 HB2 SER A 2 -10.684 -5.299 1.623 1.00 0.00 H new ATOM 0 HB3 SER A 2 -9.236 -6.183 2.064 1.00 0.00 H new ATOM 0 HG SER A 2 -9.509 -3.534 1.111 1.00 0.00 H new ATOM 19 N SER A 3 -9.837 -8.594 -0.312 1.00 0.00 N ATOM 20 CA SER A 3 -10.491 -9.899 -0.291 1.00 0.00 C ATOM 21 C SER A 3 -9.403 -10.968 -0.359 1.00 0.00 C ATOM 22 O SER A 3 -8.453 -10.821 -1.133 1.00 0.00 O ATOM 23 CB SER A 3 -11.433 -10.043 -1.501 1.00 0.00 C ATOM 24 OG SER A 3 -12.762 -10.300 -1.088 1.00 0.00 O ATOM 0 H SER A 3 -8.838 -8.648 -0.512 1.00 0.00 H new ATOM 0 HA SER A 3 -11.082 -10.007 0.618 1.00 0.00 H new ATOM 0 HB2 SER A 3 -11.405 -9.131 -2.098 1.00 0.00 H new ATOM 0 HB3 SER A 3 -11.085 -10.854 -2.141 1.00 0.00 H new ATOM 0 HG SER A 3 -13.339 -10.385 -1.876 1.00 0.00 H new ATOM 30 N GLY A 4 -9.563 -12.058 0.389 1.00 0.00 N ATOM 31 CA GLY A 4 -8.553 -13.089 0.562 1.00 0.00 C ATOM 32 C GLY A 4 -7.464 -12.614 1.520 1.00 0.00 C ATOM 33 O GLY A 4 -7.130 -11.427 1.552 1.00 0.00 O ATOM 0 H GLY A 4 -10.423 -12.249 0.903 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -9.015 -13.998 0.948 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -8.113 -13.341 -0.403 1.00 0.00 H new ATOM 37 N SER A 5 -6.874 -13.551 2.263 1.00 0.00 N ATOM 38 CA SER A 5 -5.915 -13.254 3.325 1.00 0.00 C ATOM 39 C SER A 5 -4.613 -14.064 3.201 1.00 0.00 C ATOM 40 O SER A 5 -3.888 -14.261 4.176 1.00 0.00 O ATOM 41 CB SER A 5 -6.572 -13.285 4.717 1.00 0.00 C ATOM 42 OG SER A 5 -7.891 -13.809 4.751 1.00 0.00 O ATOM 0 H SER A 5 -7.051 -14.548 2.142 1.00 0.00 H new ATOM 0 HA SER A 5 -5.589 -12.222 3.192 1.00 0.00 H new ATOM 0 HB2 SER A 5 -5.945 -13.877 5.384 1.00 0.00 H new ATOM 0 HB3 SER A 5 -6.591 -12.270 5.115 1.00 0.00 H new ATOM 0 HG SER A 5 -8.226 -13.792 5.672 1.00 0.00 H new ATOM 48 N SER A 6 -4.272 -14.491 1.984 1.00 0.00 N ATOM 49 CA SER A 6 -3.050 -15.220 1.687 1.00 0.00 C ATOM 50 C SER A 6 -1.862 -14.310 1.348 1.00 0.00 C ATOM 51 O SER A 6 -1.872 -13.613 0.326 1.00 0.00 O ATOM 52 CB SER A 6 -3.327 -16.143 0.505 1.00 0.00 C ATOM 53 OG SER A 6 -3.996 -17.308 0.940 1.00 0.00 O ATOM 0 H SER A 6 -4.855 -14.333 1.162 1.00 0.00 H new ATOM 0 HA SER A 6 -2.769 -15.774 2.583 1.00 0.00 H new ATOM 0 HB2 SER A 6 -3.933 -15.623 -0.237 1.00 0.00 H new ATOM 0 HB3 SER A 6 -2.390 -16.414 0.019 1.00 0.00 H new ATOM 0 HG SER A 6 -4.170 -17.892 0.172 1.00 0.00 H new ATOM 59 N GLY A 7 -0.781 -14.434 2.116 1.00 0.00 N ATOM 60 CA GLY A 7 0.562 -14.032 1.725 1.00 0.00 C ATOM 61 C GLY A 7 0.817 -12.546 1.925 1.00 0.00 C ATOM 62 O GLY A 7 0.102 -11.876 2.670 1.00 0.00 O ATOM 0 H GLY A 7 -0.821 -14.829 3.055 1.00 0.00 H new ATOM 0 HA2 GLY A 7 1.289 -14.601 2.304 1.00 0.00 H new ATOM 0 HA3 GLY A 7 0.721 -14.285 0.677 1.00 0.00 H new ATOM 66 N PHE A 8 1.858 -12.036 1.260 1.00 0.00 N ATOM 67 CA PHE A 8 2.356 -10.676 1.424 1.00 0.00 C ATOM 68 C PHE A 8 1.227 -9.672 1.305 1.00 0.00 C ATOM 69 O PHE A 8 1.103 -8.798 2.158 1.00 0.00 O ATOM 70 CB PHE A 8 3.431 -10.362 0.373 1.00 0.00 C ATOM 71 CG PHE A 8 3.788 -8.892 0.294 1.00 0.00 C ATOM 72 CD1 PHE A 8 4.378 -8.279 1.407 1.00 0.00 C ATOM 73 CD2 PHE A 8 3.478 -8.120 -0.842 1.00 0.00 C ATOM 74 CE1 PHE A 8 4.686 -6.912 1.378 1.00 0.00 C ATOM 75 CE2 PHE A 8 3.838 -6.762 -0.892 1.00 0.00 C ATOM 76 CZ PHE A 8 4.454 -6.162 0.218 1.00 0.00 C ATOM 0 H PHE A 8 2.388 -12.576 0.576 1.00 0.00 H new ATOM 0 HA PHE A 8 2.795 -10.601 2.419 1.00 0.00 H new ATOM 0 HB2 PHE A 8 4.330 -10.934 0.602 1.00 0.00 H new ATOM 0 HB3 PHE A 8 3.081 -10.696 -0.604 1.00 0.00 H new ATOM 0 HD1 PHE A 8 4.596 -8.861 2.290 1.00 0.00 H new ATOM 0 HD2 PHE A 8 2.963 -8.572 -1.677 1.00 0.00 H new ATOM 0 HE1 PHE A 8 5.103 -6.436 2.253 1.00 0.00 H new ATOM 0 HE2 PHE A 8 3.641 -6.182 -1.782 1.00 0.00 H new ATOM 0 HZ PHE A 8 4.748 -5.124 0.177 1.00 0.00 H new ATOM 86 N LYS A 9 0.413 -9.807 0.251 1.00 0.00 N ATOM 87 CA LYS A 9 -0.646 -8.854 -0.017 1.00 0.00 C ATOM 88 C LYS A 9 -1.538 -8.718 1.208 1.00 0.00 C ATOM 89 O LYS A 9 -1.797 -7.594 1.618 1.00 0.00 O ATOM 90 CB LYS A 9 -1.453 -9.262 -1.267 1.00 0.00 C ATOM 91 CG LYS A 9 -2.415 -8.141 -1.692 1.00 0.00 C ATOM 92 CD LYS A 9 -3.258 -8.478 -2.927 1.00 0.00 C ATOM 93 CE LYS A 9 -3.831 -7.158 -3.457 1.00 0.00 C ATOM 94 NZ LYS A 9 -4.901 -7.346 -4.459 1.00 0.00 N ATOM 0 H LYS A 9 0.475 -10.569 -0.424 1.00 0.00 H new ATOM 0 HA LYS A 9 -0.203 -7.881 -0.227 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -0.771 -9.491 -2.086 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -2.017 -10.171 -1.059 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -3.082 -7.914 -0.860 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -1.838 -7.238 -1.894 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -2.649 -8.966 -3.688 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -4.060 -9.170 -2.669 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -4.223 -6.579 -2.621 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -3.026 -6.573 -3.901 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -5.246 -6.418 -4.777 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -4.526 -7.874 -5.273 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -5.686 -7.879 -4.033 1.00 0.00 H new ATOM 108 N ALA A 10 -1.952 -9.838 1.799 1.00 0.00 N ATOM 109 CA ALA A 10 -2.829 -9.881 2.952 1.00 0.00 C ATOM 110 C ALA A 10 -2.190 -9.246 4.174 1.00 0.00 C ATOM 111 O ALA A 10 -2.797 -8.376 4.789 1.00 0.00 O ATOM 112 CB ALA A 10 -3.160 -11.330 3.261 1.00 0.00 C ATOM 0 H ALA A 10 -1.674 -10.764 1.474 1.00 0.00 H new ATOM 0 HA ALA A 10 -3.730 -9.316 2.715 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -3.820 -11.376 4.127 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -3.657 -11.781 2.402 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -2.241 -11.875 3.476 1.00 0.00 H new ATOM 118 N GLU A 11 -0.985 -9.686 4.545 1.00 0.00 N ATOM 119 CA GLU A 11 -0.239 -9.124 5.669 1.00 0.00 C ATOM 120 C GLU A 11 -0.162 -7.604 5.551 1.00 0.00 C ATOM 121 O GLU A 11 -0.375 -6.890 6.531 1.00 0.00 O ATOM 122 CB GLU A 11 1.186 -9.687 5.670 1.00 0.00 C ATOM 123 CG GLU A 11 1.396 -10.922 6.538 1.00 0.00 C ATOM 124 CD GLU A 11 1.752 -10.501 7.963 1.00 0.00 C ATOM 125 OE1 GLU A 11 0.913 -9.863 8.649 1.00 0.00 O ATOM 126 OE2 GLU A 11 2.921 -10.718 8.355 1.00 0.00 O ATOM 0 H GLU A 11 -0.499 -10.446 4.070 1.00 0.00 H new ATOM 0 HA GLU A 11 -0.752 -9.390 6.593 1.00 0.00 H new ATOM 0 HB2 GLU A 11 1.463 -9.932 4.645 1.00 0.00 H new ATOM 0 HB3 GLU A 11 1.868 -8.906 6.007 1.00 0.00 H new ATOM 0 HG2 GLU A 11 0.492 -11.531 6.544 1.00 0.00 H new ATOM 0 HG3 GLU A 11 2.193 -11.539 6.122 1.00 0.00 H new ATOM 133 N LEU A 12 0.157 -7.127 4.347 1.00 0.00 N ATOM 134 CA LEU A 12 0.316 -5.722 4.031 1.00 0.00 C ATOM 135 C LEU A 12 -1.030 -4.997 4.079 1.00 0.00 C ATOM 136 O LEU A 12 -1.097 -3.887 4.588 1.00 0.00 O ATOM 137 CB LEU A 12 0.947 -5.613 2.639 1.00 0.00 C ATOM 138 CG LEU A 12 1.542 -4.219 2.379 1.00 0.00 C ATOM 139 CD1 LEU A 12 2.863 -3.994 3.123 1.00 0.00 C ATOM 140 CD2 LEU A 12 1.760 -4.073 0.877 1.00 0.00 C ATOM 0 H LEU A 12 0.315 -7.735 3.544 1.00 0.00 H new ATOM 0 HA LEU A 12 0.963 -5.247 4.769 1.00 0.00 H new ATOM 0 HB2 LEU A 12 1.729 -6.365 2.537 1.00 0.00 H new ATOM 0 HB3 LEU A 12 0.194 -5.832 1.882 1.00 0.00 H new ATOM 0 HG LEU A 12 0.844 -3.469 2.752 1.00 0.00 H new ATOM 0 HD11 LEU A 12 3.238 -2.994 2.904 1.00 0.00 H new ATOM 0 HD12 LEU A 12 2.698 -4.092 4.196 1.00 0.00 H new ATOM 0 HD13 LEU A 12 3.594 -4.735 2.799 1.00 0.00 H new ATOM 0 HD21 LEU A 12 2.182 -3.091 0.664 1.00 0.00 H new ATOM 0 HD22 LEU A 12 2.447 -4.846 0.532 1.00 0.00 H new ATOM 0 HD23 LEU A 12 0.807 -4.178 0.359 1.00 0.00 H new ATOM 152 N ASN A 13 -2.103 -5.608 3.570 1.00 0.00 N ATOM 153 CA ASN A 13 -3.466 -5.076 3.603 1.00 0.00 C ATOM 154 C ASN A 13 -3.874 -4.864 5.055 1.00 0.00 C ATOM 155 O ASN A 13 -4.321 -3.785 5.429 1.00 0.00 O ATOM 156 CB ASN A 13 -4.434 -6.047 2.890 1.00 0.00 C ATOM 157 CG ASN A 13 -5.624 -5.378 2.219 1.00 0.00 C ATOM 158 OD1 ASN A 13 -5.689 -5.349 0.991 1.00 0.00 O ATOM 159 ND2 ASN A 13 -6.609 -4.894 2.952 1.00 0.00 N ATOM 0 H ASN A 13 -2.044 -6.516 3.109 1.00 0.00 H new ATOM 0 HA ASN A 13 -3.507 -4.122 3.078 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -3.878 -6.607 2.138 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -4.803 -6.770 3.617 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -7.431 -4.493 2.501 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -6.548 -4.921 3.970 1.00 0.00 H new ATOM 166 N GLU A 14 -3.688 -5.891 5.881 1.00 0.00 N ATOM 167 CA GLU A 14 -4.012 -5.931 7.301 1.00 0.00 C ATOM 168 C GLU A 14 -3.142 -4.967 8.120 1.00 0.00 C ATOM 169 O GLU A 14 -3.612 -4.438 9.124 1.00 0.00 O ATOM 170 CB GLU A 14 -3.793 -7.368 7.793 1.00 0.00 C ATOM 171 CG GLU A 14 -4.824 -8.381 7.260 1.00 0.00 C ATOM 172 CD GLU A 14 -6.072 -8.488 8.137 1.00 0.00 C ATOM 173 OE1 GLU A 14 -5.908 -8.806 9.338 1.00 0.00 O ATOM 174 OE2 GLU A 14 -7.203 -8.287 7.625 1.00 0.00 O ATOM 0 H GLU A 14 -3.283 -6.769 5.555 1.00 0.00 H new ATOM 0 HA GLU A 14 -5.048 -5.619 7.435 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -2.795 -7.693 7.499 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -3.822 -7.376 8.883 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -5.120 -8.092 6.252 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -4.355 -9.362 7.186 1.00 0.00 H new ATOM 181 N PHE A 15 -1.892 -4.735 7.710 1.00 0.00 N ATOM 182 CA PHE A 15 -1.010 -3.717 8.274 1.00 0.00 C ATOM 183 C PHE A 15 -1.582 -2.335 7.936 1.00 0.00 C ATOM 184 O PHE A 15 -2.008 -1.599 8.824 1.00 0.00 O ATOM 185 CB PHE A 15 0.418 -3.940 7.732 1.00 0.00 C ATOM 186 CG PHE A 15 1.408 -2.822 7.998 1.00 0.00 C ATOM 187 CD1 PHE A 15 2.042 -2.711 9.249 1.00 0.00 C ATOM 188 CD2 PHE A 15 1.692 -1.881 6.988 1.00 0.00 C ATOM 189 CE1 PHE A 15 2.941 -1.656 9.492 1.00 0.00 C ATOM 190 CE2 PHE A 15 2.578 -0.820 7.233 1.00 0.00 C ATOM 191 CZ PHE A 15 3.203 -0.709 8.487 1.00 0.00 C ATOM 0 H PHE A 15 -1.456 -5.266 6.956 1.00 0.00 H new ATOM 0 HA PHE A 15 -0.951 -3.785 9.360 1.00 0.00 H new ATOM 0 HB2 PHE A 15 0.812 -4.859 8.166 1.00 0.00 H new ATOM 0 HB3 PHE A 15 0.357 -4.097 6.655 1.00 0.00 H new ATOM 0 HD1 PHE A 15 1.839 -3.436 10.023 1.00 0.00 H new ATOM 0 HD2 PHE A 15 1.225 -1.977 6.019 1.00 0.00 H new ATOM 0 HE1 PHE A 15 3.430 -1.574 10.451 1.00 0.00 H new ATOM 0 HE2 PHE A 15 2.779 -0.092 6.461 1.00 0.00 H new ATOM 0 HZ PHE A 15 3.886 0.105 8.679 1.00 0.00 H new ATOM 201 N LEU A 16 -1.666 -2.014 6.639 1.00 0.00 N ATOM 202 CA LEU A 16 -2.111 -0.724 6.113 1.00 0.00 C ATOM 203 C LEU A 16 -3.499 -0.337 6.619 1.00 0.00 C ATOM 204 O LEU A 16 -3.780 0.847 6.782 1.00 0.00 O ATOM 205 CB LEU A 16 -2.117 -0.765 4.578 1.00 0.00 C ATOM 206 CG LEU A 16 -0.724 -0.757 3.918 1.00 0.00 C ATOM 207 CD1 LEU A 16 -0.887 -0.937 2.404 1.00 0.00 C ATOM 208 CD2 LEU A 16 0.064 0.522 4.220 1.00 0.00 C ATOM 0 H LEU A 16 -1.416 -2.673 5.902 1.00 0.00 H new ATOM 0 HA LEU A 16 -1.410 0.031 6.469 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -2.649 -1.660 4.256 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -2.681 0.091 4.209 1.00 0.00 H new ATOM 0 HG LEU A 16 -0.149 -1.583 4.338 1.00 0.00 H new ATOM 0 HD11 LEU A 16 0.094 -0.932 1.929 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -1.384 -1.886 2.202 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -1.488 -0.121 2.003 1.00 0.00 H new ATOM 0 HD21 LEU A 16 1.037 0.474 3.731 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -0.487 1.385 3.848 1.00 0.00 H new ATOM 0 HD23 LEU A 16 0.204 0.618 5.297 1.00 0.00 H new ATOM 220 N THR A 17 -4.346 -1.325 6.905 1.00 0.00 N ATOM 221 CA THR A 17 -5.652 -1.132 7.510 1.00 0.00 C ATOM 222 C THR A 17 -5.572 -0.282 8.776 1.00 0.00 C ATOM 223 O THR A 17 -6.423 0.590 8.950 1.00 0.00 O ATOM 224 CB THR A 17 -6.262 -2.508 7.801 1.00 0.00 C ATOM 225 OG1 THR A 17 -6.561 -3.141 6.575 1.00 0.00 O ATOM 226 CG2 THR A 17 -7.522 -2.458 8.658 1.00 0.00 C ATOM 0 H THR A 17 -4.132 -2.304 6.715 1.00 0.00 H new ATOM 0 HA THR A 17 -6.290 -0.586 6.816 1.00 0.00 H new ATOM 0 HB THR A 17 -5.522 -3.065 8.375 1.00 0.00 H new ATOM 0 HG1 THR A 17 -5.741 -3.233 6.046 1.00 0.00 H new ATOM 0 HG21 THR A 17 -7.893 -3.470 8.819 1.00 0.00 H new ATOM 0 HG22 THR A 17 -7.290 -1.999 9.619 1.00 0.00 H new ATOM 0 HG23 THR A 17 -8.285 -1.869 8.149 1.00 0.00 H new ATOM 234 N ARG A 18 -4.607 -0.553 9.662 1.00 0.00 N ATOM 235 CA ARG A 18 -4.401 0.253 10.855 1.00 0.00 C ATOM 236 C ARG A 18 -3.757 1.564 10.437 1.00 0.00 C ATOM 237 O ARG A 18 -4.331 2.621 10.697 1.00 0.00 O ATOM 238 CB ARG A 18 -3.485 -0.458 11.856 1.00 0.00 C ATOM 239 CG ARG A 18 -4.104 -1.616 12.643 1.00 0.00 C ATOM 240 CD ARG A 18 -3.735 -2.989 12.083 1.00 0.00 C ATOM 241 NE ARG A 18 -3.979 -4.037 13.087 1.00 0.00 N ATOM 242 CZ ARG A 18 -4.035 -5.351 12.843 1.00 0.00 C ATOM 243 NH1 ARG A 18 -3.910 -5.819 11.605 1.00 0.00 N ATOM 244 NH2 ARG A 18 -4.202 -6.205 13.845 1.00 0.00 N ATOM 0 H ARG A 18 -3.955 -1.332 9.567 1.00 0.00 H new ATOM 0 HA ARG A 18 -5.363 0.423 11.338 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -2.618 -0.837 11.315 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -3.118 0.281 12.568 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -3.780 -1.555 13.682 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -5.189 -1.509 12.641 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -4.321 -3.192 11.187 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -2.686 -2.998 11.787 1.00 0.00 H new ATOM 0 HE ARG A 18 -4.117 -3.736 14.052 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -3.770 -5.174 10.828 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -3.955 -6.823 11.433 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -4.288 -5.859 14.801 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -4.245 -7.207 13.659 1.00 0.00 H new ATOM 258 N GLU A 19 -2.588 1.476 9.793 1.00 0.00 N ATOM 259 CA GLU A 19 -1.693 2.588 9.488 1.00 0.00 C ATOM 260 C GLU A 19 -2.392 3.758 8.804 1.00 0.00 C ATOM 261 O GLU A 19 -1.951 4.897 8.959 1.00 0.00 O ATOM 262 CB GLU A 19 -0.543 2.082 8.590 1.00 0.00 C ATOM 263 CG GLU A 19 0.783 1.941 9.331 1.00 0.00 C ATOM 264 CD GLU A 19 0.692 1.114 10.610 1.00 0.00 C ATOM 265 OE1 GLU A 19 0.126 0.002 10.610 1.00 0.00 O ATOM 266 OE2 GLU A 19 1.164 1.614 11.660 1.00 0.00 O ATOM 0 H GLU A 19 -2.227 0.584 9.456 1.00 0.00 H new ATOM 0 HA GLU A 19 -1.314 2.961 10.439 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -0.819 1.116 8.167 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -0.413 2.770 7.755 1.00 0.00 H new ATOM 0 HG2 GLU A 19 1.513 1.482 8.665 1.00 0.00 H new ATOM 0 HG3 GLU A 19 1.157 2.934 9.578 1.00 0.00 H new ATOM 273 N LEU A 20 -3.438 3.480 8.028 1.00 0.00 N ATOM 274 CA LEU A 20 -4.138 4.445 7.206 1.00 0.00 C ATOM 275 C LEU A 20 -5.649 4.406 7.455 1.00 0.00 C ATOM 276 O LEU A 20 -6.433 4.829 6.597 1.00 0.00 O ATOM 277 CB LEU A 20 -3.778 4.144 5.753 1.00 0.00 C ATOM 278 CG LEU A 20 -2.318 4.426 5.376 1.00 0.00 C ATOM 279 CD1 LEU A 20 -2.159 3.958 3.938 1.00 0.00 C ATOM 280 CD2 LEU A 20 -1.942 5.910 5.469 1.00 0.00 C ATOM 0 H LEU A 20 -3.829 2.541 7.957 1.00 0.00 H new ATOM 0 HA LEU A 20 -3.833 5.460 7.459 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -3.994 3.095 5.551 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -4.426 4.734 5.104 1.00 0.00 H new ATOM 0 HG LEU A 20 -1.661 3.907 6.074 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -1.135 4.133 3.610 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -2.383 2.893 3.875 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -2.845 4.512 3.297 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -0.896 6.039 5.189 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -2.572 6.488 4.793 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -2.090 6.259 6.491 1.00 0.00 H new ATOM 292 N ALA A 21 -6.075 3.903 8.620 1.00 0.00 N ATOM 293 CA ALA A 21 -7.479 3.815 8.995 1.00 0.00 C ATOM 294 C ALA A 21 -8.147 5.180 8.847 1.00 0.00 C ATOM 295 O ALA A 21 -9.037 5.348 8.008 1.00 0.00 O ATOM 296 CB ALA A 21 -7.625 3.292 10.428 1.00 0.00 C ATOM 0 H ALA A 21 -5.441 3.543 9.333 1.00 0.00 H new ATOM 0 HA ALA A 21 -7.975 3.110 8.328 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -8.682 3.234 10.688 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -7.178 2.300 10.501 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -7.119 3.969 11.116 1.00 0.00 H new ATOM 302 N GLU A 22 -7.675 6.151 9.633 1.00 0.00 N ATOM 303 CA GLU A 22 -8.156 7.528 9.627 1.00 0.00 C ATOM 304 C GLU A 22 -7.847 8.195 8.289 1.00 0.00 C ATOM 305 O GLU A 22 -8.562 9.107 7.871 1.00 0.00 O ATOM 306 CB GLU A 22 -7.491 8.313 10.770 1.00 0.00 C ATOM 307 CG GLU A 22 -7.906 7.842 12.173 1.00 0.00 C ATOM 308 CD GLU A 22 -9.244 8.431 12.623 1.00 0.00 C ATOM 309 OE1 GLU A 22 -10.264 8.261 11.915 1.00 0.00 O ATOM 310 OE2 GLU A 22 -9.276 9.057 13.709 1.00 0.00 O ATOM 0 H GLU A 22 -6.927 5.993 10.308 1.00 0.00 H new ATOM 0 HA GLU A 22 -9.236 7.524 9.772 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -6.409 8.228 10.674 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -7.738 9.369 10.664 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -7.972 6.754 12.182 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -7.132 8.120 12.889 1.00 0.00 H new ATOM 317 N ASP A 23 -6.813 7.741 7.578 1.00 0.00 N ATOM 318 CA ASP A 23 -6.468 8.352 6.306 1.00 0.00 C ATOM 319 C ASP A 23 -7.532 8.093 5.258 1.00 0.00 C ATOM 320 O ASP A 23 -7.636 8.887 4.323 1.00 0.00 O ATOM 321 CB ASP A 23 -5.123 7.898 5.748 1.00 0.00 C ATOM 322 CG ASP A 23 -3.969 8.472 6.561 1.00 0.00 C ATOM 323 OD1 ASP A 23 -3.672 7.926 7.646 1.00 0.00 O ATOM 324 OD2 ASP A 23 -3.391 9.489 6.132 1.00 0.00 O ATOM 0 H ASP A 23 -6.213 6.966 7.860 1.00 0.00 H new ATOM 0 HA ASP A 23 -6.399 9.418 6.524 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -5.071 6.809 5.756 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -5.032 8.214 4.709 1.00 0.00 H new ATOM 329 N GLY A 24 -8.303 7.008 5.380 1.00 0.00 N ATOM 330 CA GLY A 24 -9.355 6.684 4.429 1.00 0.00 C ATOM 331 C GLY A 24 -9.082 5.429 3.601 1.00 0.00 C ATOM 332 O GLY A 24 -9.587 5.345 2.475 1.00 0.00 O ATOM 0 H GLY A 24 -8.211 6.335 6.141 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -10.292 6.552 4.971 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -9.493 7.529 3.754 1.00 0.00 H new ATOM 336 N TYR A 25 -8.272 4.491 4.115 1.00 0.00 N ATOM 337 CA TYR A 25 -7.800 3.294 3.417 1.00 0.00 C ATOM 338 C TYR A 25 -8.928 2.437 2.836 1.00 0.00 C ATOM 339 O TYR A 25 -10.004 2.333 3.439 1.00 0.00 O ATOM 340 CB TYR A 25 -6.953 2.467 4.392 1.00 0.00 C ATOM 341 CG TYR A 25 -6.300 1.245 3.785 1.00 0.00 C ATOM 342 CD1 TYR A 25 -5.270 1.419 2.844 1.00 0.00 C ATOM 343 CD2 TYR A 25 -6.709 -0.051 4.156 1.00 0.00 C ATOM 344 CE1 TYR A 25 -4.638 0.297 2.284 1.00 0.00 C ATOM 345 CE2 TYR A 25 -6.061 -1.176 3.616 1.00 0.00 C ATOM 346 CZ TYR A 25 -5.017 -0.999 2.687 1.00 0.00 C ATOM 347 OH TYR A 25 -4.384 -2.079 2.162 1.00 0.00 O ATOM 0 H TYR A 25 -7.915 4.552 5.069 1.00 0.00 H new ATOM 0 HA TYR A 25 -7.209 3.622 2.562 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -6.176 3.107 4.810 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -7.585 2.150 5.222 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -4.966 2.413 2.553 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -7.521 -0.181 4.856 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -3.862 0.427 1.545 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -6.362 -2.170 3.912 1.00 0.00 H new ATOM 0 HH TYR A 25 -5.011 -2.830 2.106 1.00 0.00 H new ATOM 357 N SER A 26 -8.645 1.759 1.719 1.00 0.00 N ATOM 358 CA SER A 26 -9.546 0.848 1.019 1.00 0.00 C ATOM 359 C SER A 26 -8.903 -0.515 0.745 1.00 0.00 C ATOM 360 O SER A 26 -9.567 -1.547 0.886 1.00 0.00 O ATOM 361 CB SER A 26 -9.985 1.500 -0.292 1.00 0.00 C ATOM 362 OG SER A 26 -10.999 2.455 -0.050 1.00 0.00 O ATOM 0 H SER A 26 -7.738 1.837 1.260 1.00 0.00 H new ATOM 0 HA SER A 26 -10.408 0.663 1.660 1.00 0.00 H new ATOM 0 HB2 SER A 26 -9.131 1.979 -0.771 1.00 0.00 H new ATOM 0 HB3 SER A 26 -10.351 0.738 -0.980 1.00 0.00 H new ATOM 0 HG SER A 26 -11.488 2.631 -0.881 1.00 0.00 H new ATOM 368 N GLY A 27 -7.637 -0.555 0.341 1.00 0.00 N ATOM 369 CA GLY A 27 -6.928 -1.788 0.044 1.00 0.00 C ATOM 370 C GLY A 27 -5.606 -1.446 -0.613 1.00 0.00 C ATOM 371 O GLY A 27 -5.170 -0.297 -0.594 1.00 0.00 O ATOM 0 H GLY A 27 -7.069 0.282 0.210 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -6.759 -2.356 0.959 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -7.525 -2.417 -0.616 1.00 0.00 H new ATOM 375 N VAL A 28 -4.943 -2.426 -1.205 1.00 0.00 N ATOM 376 CA VAL A 28 -3.650 -2.217 -1.834 1.00 0.00 C ATOM 377 C VAL A 28 -3.595 -3.088 -3.089 1.00 0.00 C ATOM 378 O VAL A 28 -4.310 -4.093 -3.192 1.00 0.00 O ATOM 379 CB VAL A 28 -2.553 -2.487 -0.776 1.00 0.00 C ATOM 380 CG1 VAL A 28 -2.649 -3.884 -0.139 1.00 0.00 C ATOM 381 CG2 VAL A 28 -1.133 -2.230 -1.286 1.00 0.00 C ATOM 0 H VAL A 28 -5.285 -3.385 -1.263 1.00 0.00 H new ATOM 0 HA VAL A 28 -3.483 -1.195 -2.174 1.00 0.00 H new ATOM 0 HB VAL A 28 -2.756 -1.754 0.005 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -1.850 -4.006 0.593 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -3.614 -3.993 0.356 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -2.551 -4.645 -0.914 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -0.417 -2.440 -0.491 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -0.929 -2.879 -2.138 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -1.039 -1.188 -1.593 1.00 0.00 H new ATOM 391 N GLU A 29 -2.755 -2.723 -4.049 1.00 0.00 N ATOM 392 CA GLU A 29 -2.275 -3.612 -5.090 1.00 0.00 C ATOM 393 C GLU A 29 -0.779 -3.758 -4.893 1.00 0.00 C ATOM 394 O GLU A 29 -0.080 -2.788 -4.614 1.00 0.00 O ATOM 395 CB GLU A 29 -2.609 -3.090 -6.497 1.00 0.00 C ATOM 396 CG GLU A 29 -4.072 -3.403 -6.801 1.00 0.00 C ATOM 397 CD GLU A 29 -4.522 -2.962 -8.197 1.00 0.00 C ATOM 398 OE1 GLU A 29 -4.066 -3.579 -9.193 1.00 0.00 O ATOM 399 OE2 GLU A 29 -5.425 -2.100 -8.281 1.00 0.00 O ATOM 0 H GLU A 29 -2.382 -1.777 -4.124 1.00 0.00 H new ATOM 0 HA GLU A 29 -2.771 -4.580 -5.014 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -2.433 -2.016 -6.553 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -1.961 -3.558 -7.238 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -4.233 -4.476 -6.700 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -4.701 -2.915 -6.056 1.00 0.00 H new ATOM 406 N VAL A 30 -0.313 -4.984 -5.059 1.00 0.00 N ATOM 407 CA VAL A 30 1.086 -5.328 -5.220 1.00 0.00 C ATOM 408 C VAL A 30 1.248 -5.747 -6.672 1.00 0.00 C ATOM 409 O VAL A 30 0.552 -6.664 -7.138 1.00 0.00 O ATOM 410 CB VAL A 30 1.534 -6.390 -4.192 1.00 0.00 C ATOM 411 CG1 VAL A 30 0.620 -7.623 -4.075 1.00 0.00 C ATOM 412 CG2 VAL A 30 2.976 -6.842 -4.478 1.00 0.00 C ATOM 0 H VAL A 30 -0.926 -5.799 -5.086 1.00 0.00 H new ATOM 0 HA VAL A 30 1.746 -4.485 -5.013 1.00 0.00 H new ATOM 0 HB VAL A 30 1.467 -5.884 -3.229 1.00 0.00 H new ATOM 0 HG11 VAL A 30 1.024 -8.306 -3.327 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -0.380 -7.308 -3.776 1.00 0.00 H new ATOM 0 HG13 VAL A 30 0.568 -8.130 -5.039 1.00 0.00 H new ATOM 0 HG21 VAL A 30 3.275 -7.590 -3.744 1.00 0.00 H new ATOM 0 HG22 VAL A 30 3.031 -7.272 -5.478 1.00 0.00 H new ATOM 0 HG23 VAL A 30 3.645 -5.984 -4.415 1.00 0.00 H new ATOM 422 N ARG A 31 2.166 -5.100 -7.385 1.00 0.00 N ATOM 423 CA ARG A 31 2.524 -5.477 -8.742 1.00 0.00 C ATOM 424 C ARG A 31 3.917 -6.061 -8.636 1.00 0.00 C ATOM 425 O ARG A 31 4.850 -5.394 -8.184 1.00 0.00 O ATOM 426 CB ARG A 31 2.505 -4.247 -9.673 1.00 0.00 C ATOM 427 CG ARG A 31 1.480 -4.377 -10.803 1.00 0.00 C ATOM 428 CD ARG A 31 1.647 -3.205 -11.775 1.00 0.00 C ATOM 429 NE ARG A 31 0.625 -3.221 -12.837 1.00 0.00 N ATOM 430 CZ ARG A 31 0.860 -3.111 -14.153 1.00 0.00 C ATOM 431 NH1 ARG A 31 2.055 -2.788 -14.623 1.00 0.00 N ATOM 432 NH2 ARG A 31 -0.116 -3.334 -15.014 1.00 0.00 N ATOM 0 H ARG A 31 2.683 -4.295 -7.032 1.00 0.00 H new ATOM 0 HA ARG A 31 1.820 -6.192 -9.168 1.00 0.00 H new ATOM 0 HB2 ARG A 31 2.282 -3.356 -9.086 1.00 0.00 H new ATOM 0 HB3 ARG A 31 3.497 -4.106 -10.102 1.00 0.00 H new ATOM 0 HG2 ARG A 31 1.618 -5.322 -11.328 1.00 0.00 H new ATOM 0 HG3 ARG A 31 0.470 -4.384 -10.394 1.00 0.00 H new ATOM 0 HD2 ARG A 31 1.584 -2.266 -11.225 1.00 0.00 H new ATOM 0 HD3 ARG A 31 2.639 -3.245 -12.225 1.00 0.00 H new ATOM 0 HE ARG A 31 -0.347 -3.325 -12.545 1.00 0.00 H new ATOM 0 HH11 ARG A 31 2.827 -2.615 -13.979 1.00 0.00 H new ATOM 0 HH12 ARG A 31 2.204 -2.712 -15.629 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -1.045 -3.589 -14.678 1.00 0.00 H new ATOM 0 HH22 ARG A 31 0.059 -3.251 -16.016 1.00 0.00 H new ATOM 446 N VAL A 32 4.062 -7.307 -9.067 1.00 0.00 N ATOM 447 CA VAL A 32 5.365 -7.904 -9.254 1.00 0.00 C ATOM 448 C VAL A 32 5.726 -7.573 -10.689 1.00 0.00 C ATOM 449 O VAL A 32 5.276 -8.249 -11.622 1.00 0.00 O ATOM 450 CB VAL A 32 5.329 -9.408 -8.940 1.00 0.00 C ATOM 451 CG1 VAL A 32 6.717 -10.033 -9.120 1.00 0.00 C ATOM 452 CG2 VAL A 32 4.868 -9.616 -7.492 1.00 0.00 C ATOM 0 H VAL A 32 3.282 -7.924 -9.294 1.00 0.00 H new ATOM 0 HA VAL A 32 6.126 -7.519 -8.575 1.00 0.00 H new ATOM 0 HB VAL A 32 4.634 -9.889 -9.628 1.00 0.00 H new ATOM 0 HG11 VAL A 32 6.669 -11.098 -8.893 1.00 0.00 H new ATOM 0 HG12 VAL A 32 7.047 -9.896 -10.150 1.00 0.00 H new ATOM 0 HG13 VAL A 32 7.424 -9.550 -8.446 1.00 0.00 H new ATOM 0 HG21 VAL A 32 4.842 -10.682 -7.268 1.00 0.00 H new ATOM 0 HG22 VAL A 32 5.563 -9.120 -6.814 1.00 0.00 H new ATOM 0 HG23 VAL A 32 3.871 -9.194 -7.363 1.00 0.00 H new ATOM 462 N THR A 33 6.485 -6.498 -10.879 1.00 0.00 N ATOM 463 CA THR A 33 7.216 -6.344 -12.124 1.00 0.00 C ATOM 464 C THR A 33 8.453 -7.250 -12.019 1.00 0.00 C ATOM 465 O THR A 33 8.807 -7.689 -10.917 1.00 0.00 O ATOM 466 CB THR A 33 7.570 -4.870 -12.385 1.00 0.00 C ATOM 467 OG1 THR A 33 8.645 -4.454 -11.580 1.00 0.00 O ATOM 468 CG2 THR A 33 6.371 -3.934 -12.239 1.00 0.00 C ATOM 0 H THR A 33 6.606 -5.742 -10.205 1.00 0.00 H new ATOM 0 HA THR A 33 6.613 -6.642 -12.982 1.00 0.00 H new ATOM 0 HB THR A 33 7.881 -4.808 -13.428 1.00 0.00 H new ATOM 0 HG1 THR A 33 8.493 -4.743 -10.656 1.00 0.00 H new ATOM 0 HG21 THR A 33 6.684 -2.908 -12.435 1.00 0.00 H new ATOM 0 HG22 THR A 33 5.597 -4.220 -12.952 1.00 0.00 H new ATOM 0 HG23 THR A 33 5.975 -4.005 -11.226 1.00 0.00 H new ATOM 476 N PRO A 34 9.161 -7.528 -13.120 1.00 0.00 N ATOM 477 CA PRO A 34 10.422 -8.239 -13.043 1.00 0.00 C ATOM 478 C PRO A 34 11.573 -7.362 -12.525 1.00 0.00 C ATOM 479 O PRO A 34 12.679 -7.887 -12.401 1.00 0.00 O ATOM 480 CB PRO A 34 10.676 -8.770 -14.454 1.00 0.00 C ATOM 481 CG PRO A 34 9.932 -7.793 -15.354 1.00 0.00 C ATOM 482 CD PRO A 34 8.807 -7.222 -14.494 1.00 0.00 C ATOM 0 HA PRO A 34 10.371 -9.050 -12.317 1.00 0.00 H new ATOM 0 HB2 PRO A 34 11.741 -8.795 -14.686 1.00 0.00 H new ATOM 0 HB3 PRO A 34 10.301 -9.787 -14.572 1.00 0.00 H new ATOM 0 HG2 PRO A 34 10.595 -7.003 -15.708 1.00 0.00 H new ATOM 0 HG3 PRO A 34 9.535 -8.296 -16.236 1.00 0.00 H new ATOM 0 HD2 PRO A 34 8.710 -6.146 -14.642 1.00 0.00 H new ATOM 0 HD3 PRO A 34 7.848 -7.668 -14.759 1.00 0.00 H new ATOM 490 N THR A 35 11.349 -6.070 -12.252 1.00 0.00 N ATOM 491 CA THR A 35 12.406 -5.090 -12.027 1.00 0.00 C ATOM 492 C THR A 35 12.523 -4.793 -10.521 1.00 0.00 C ATOM 493 O THR A 35 13.609 -4.871 -9.932 1.00 0.00 O ATOM 494 CB THR A 35 12.136 -3.845 -12.914 1.00 0.00 C ATOM 495 OG1 THR A 35 11.090 -3.056 -12.390 1.00 0.00 O ATOM 496 CG2 THR A 35 11.695 -4.191 -14.347 1.00 0.00 C ATOM 0 H THR A 35 10.411 -5.675 -12.181 1.00 0.00 H new ATOM 0 HA THR A 35 13.381 -5.473 -12.327 1.00 0.00 H new ATOM 0 HB THR A 35 13.092 -3.321 -12.927 1.00 0.00 H new ATOM 0 HG1 THR A 35 10.325 -3.629 -12.173 1.00 0.00 H new ATOM 0 HG21 THR A 35 11.525 -3.272 -14.907 1.00 0.00 H new ATOM 0 HG22 THR A 35 12.474 -4.775 -14.836 1.00 0.00 H new ATOM 0 HG23 THR A 35 10.773 -4.772 -14.314 1.00 0.00 H new ATOM 504 N ARG A 36 11.397 -4.473 -9.876 1.00 0.00 N ATOM 505 CA ARG A 36 11.256 -4.195 -8.450 1.00 0.00 C ATOM 506 C ARG A 36 9.795 -4.437 -8.070 1.00 0.00 C ATOM 507 O ARG A 36 8.919 -4.481 -8.942 1.00 0.00 O ATOM 508 CB ARG A 36 11.730 -2.755 -8.130 1.00 0.00 C ATOM 509 CG ARG A 36 11.084 -1.647 -8.984 1.00 0.00 C ATOM 510 CD ARG A 36 11.649 -0.245 -8.705 1.00 0.00 C ATOM 511 NE ARG A 36 13.048 -0.068 -9.146 1.00 0.00 N ATOM 512 CZ ARG A 36 13.714 1.098 -9.127 1.00 0.00 C ATOM 513 NH1 ARG A 36 13.158 2.195 -8.636 1.00 0.00 N ATOM 514 NH2 ARG A 36 14.935 1.199 -9.626 1.00 0.00 N ATOM 0 H ARG A 36 10.507 -4.397 -10.369 1.00 0.00 H new ATOM 0 HA ARG A 36 11.886 -4.857 -7.855 1.00 0.00 H new ATOM 0 HB2 ARG A 36 11.526 -2.547 -7.080 1.00 0.00 H new ATOM 0 HB3 ARG A 36 12.811 -2.708 -8.260 1.00 0.00 H new ATOM 0 HG2 ARG A 36 11.226 -1.883 -10.038 1.00 0.00 H new ATOM 0 HG3 ARG A 36 10.009 -1.639 -8.801 1.00 0.00 H new ATOM 0 HD2 ARG A 36 11.024 0.495 -9.205 1.00 0.00 H new ATOM 0 HD3 ARG A 36 11.587 -0.044 -7.635 1.00 0.00 H new ATOM 0 HE ARG A 36 13.544 -0.891 -9.490 1.00 0.00 H new ATOM 0 HH11 ARG A 36 12.209 2.163 -8.264 1.00 0.00 H new ATOM 0 HH12 ARG A 36 13.679 3.072 -8.630 1.00 0.00 H new ATOM 0 HH21 ARG A 36 15.388 0.382 -10.035 1.00 0.00 H new ATOM 0 HH22 ARG A 36 15.423 2.094 -9.602 1.00 0.00 H new ATOM 528 N THR A 37 9.507 -4.582 -6.782 1.00 0.00 N ATOM 529 CA THR A 37 8.125 -4.651 -6.338 1.00 0.00 C ATOM 530 C THR A 37 7.533 -3.243 -6.446 1.00 0.00 C ATOM 531 O THR A 37 8.181 -2.262 -6.079 1.00 0.00 O ATOM 532 CB THR A 37 8.064 -5.211 -4.910 1.00 0.00 C ATOM 533 OG1 THR A 37 8.739 -6.456 -4.860 1.00 0.00 O ATOM 534 CG2 THR A 37 6.619 -5.452 -4.462 1.00 0.00 C ATOM 0 H THR A 37 10.202 -4.653 -6.039 1.00 0.00 H new ATOM 0 HA THR A 37 7.537 -5.326 -6.959 1.00 0.00 H new ATOM 0 HB THR A 37 8.531 -4.478 -4.252 1.00 0.00 H new ATOM 0 HG1 THR A 37 8.333 -7.021 -4.170 1.00 0.00 H new ATOM 0 HG21 THR A 37 6.614 -5.848 -3.447 1.00 0.00 H new ATOM 0 HG22 THR A 37 6.069 -4.511 -4.487 1.00 0.00 H new ATOM 0 HG23 THR A 37 6.145 -6.168 -5.133 1.00 0.00 H new ATOM 542 N GLU A 38 6.288 -3.146 -6.896 1.00 0.00 N ATOM 543 CA GLU A 38 5.479 -1.943 -6.803 1.00 0.00 C ATOM 544 C GLU A 38 4.380 -2.232 -5.793 1.00 0.00 C ATOM 545 O GLU A 38 3.847 -3.348 -5.741 1.00 0.00 O ATOM 546 CB GLU A 38 4.814 -1.650 -8.144 1.00 0.00 C ATOM 547 CG GLU A 38 5.769 -1.276 -9.277 1.00 0.00 C ATOM 548 CD GLU A 38 4.953 -0.757 -10.460 1.00 0.00 C ATOM 549 OE1 GLU A 38 4.400 -1.581 -11.220 1.00 0.00 O ATOM 550 OE2 GLU A 38 4.803 0.478 -10.602 1.00 0.00 O ATOM 0 H GLU A 38 5.804 -3.922 -7.346 1.00 0.00 H new ATOM 0 HA GLU A 38 6.098 -1.093 -6.516 1.00 0.00 H new ATOM 0 HB2 GLU A 38 4.242 -2.527 -8.447 1.00 0.00 H new ATOM 0 HB3 GLU A 38 4.101 -0.837 -8.008 1.00 0.00 H new ATOM 0 HG2 GLU A 38 6.473 -0.514 -8.941 1.00 0.00 H new ATOM 0 HG3 GLU A 38 6.357 -2.144 -9.576 1.00 0.00 H new ATOM 557 N ILE A 39 4.017 -1.217 -5.017 1.00 0.00 N ATOM 558 CA ILE A 39 2.954 -1.293 -4.030 1.00 0.00 C ATOM 559 C ILE A 39 2.139 -0.022 -4.202 1.00 0.00 C ATOM 560 O ILE A 39 2.694 1.070 -4.098 1.00 0.00 O ATOM 561 CB ILE A 39 3.530 -1.422 -2.601 1.00 0.00 C ATOM 562 CG1 ILE A 39 4.518 -2.602 -2.444 1.00 0.00 C ATOM 563 CG2 ILE A 39 2.354 -1.577 -1.624 1.00 0.00 C ATOM 564 CD1 ILE A 39 5.185 -2.662 -1.064 1.00 0.00 C ATOM 0 H ILE A 39 4.464 -0.301 -5.060 1.00 0.00 H new ATOM 0 HA ILE A 39 2.331 -2.176 -4.174 1.00 0.00 H new ATOM 0 HB ILE A 39 4.106 -0.522 -2.385 1.00 0.00 H new ATOM 0 HG12 ILE A 39 3.987 -3.537 -2.623 1.00 0.00 H new ATOM 0 HG13 ILE A 39 5.290 -2.523 -3.209 1.00 0.00 H new ATOM 0 HG21 ILE A 39 2.736 -1.670 -0.607 1.00 0.00 H new ATOM 0 HG22 ILE A 39 1.708 -0.702 -1.690 1.00 0.00 H new ATOM 0 HG23 ILE A 39 1.783 -2.469 -1.880 1.00 0.00 H new ATOM 0 HD11 ILE A 39 5.864 -3.513 -1.025 1.00 0.00 H new ATOM 0 HD12 ILE A 39 5.745 -1.743 -0.890 1.00 0.00 H new ATOM 0 HD13 ILE A 39 4.421 -2.772 -0.295 1.00 0.00 H new ATOM 576 N ILE A 40 0.840 -0.140 -4.447 1.00 0.00 N ATOM 577 CA ILE A 40 -0.053 0.965 -4.731 1.00 0.00 C ATOM 578 C ILE A 40 -1.174 0.897 -3.696 1.00 0.00 C ATOM 579 O ILE A 40 -2.069 0.055 -3.781 1.00 0.00 O ATOM 580 CB ILE A 40 -0.539 0.915 -6.204 1.00 0.00 C ATOM 581 CG1 ILE A 40 0.571 0.813 -7.284 1.00 0.00 C ATOM 582 CG2 ILE A 40 -1.316 2.211 -6.465 1.00 0.00 C ATOM 583 CD1 ILE A 40 1.119 -0.591 -7.566 1.00 0.00 C ATOM 0 H ILE A 40 0.367 -1.044 -4.452 1.00 0.00 H new ATOM 0 HA ILE A 40 0.443 1.932 -4.644 1.00 0.00 H new ATOM 0 HB ILE A 40 -1.126 0.001 -6.298 1.00 0.00 H new ATOM 0 HG12 ILE A 40 0.180 1.221 -8.216 1.00 0.00 H new ATOM 0 HG13 ILE A 40 1.402 1.450 -6.981 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -1.677 2.218 -7.493 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -2.164 2.271 -5.782 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -0.660 3.067 -6.305 1.00 0.00 H new ATOM 0 HD11 ILE A 40 1.887 -0.534 -8.337 1.00 0.00 H new ATOM 0 HD12 ILE A 40 1.551 -1.003 -6.654 1.00 0.00 H new ATOM 0 HD13 ILE A 40 0.309 -1.236 -7.908 1.00 0.00 H new ATOM 595 N ILE A 41 -1.089 1.750 -2.675 1.00 0.00 N ATOM 596 CA ILE A 41 -2.121 1.905 -1.656 1.00 0.00 C ATOM 597 C ILE A 41 -3.334 2.529 -2.337 1.00 0.00 C ATOM 598 O ILE A 41 -3.239 3.632 -2.879 1.00 0.00 O ATOM 599 CB ILE A 41 -1.622 2.815 -0.519 1.00 0.00 C ATOM 600 CG1 ILE A 41 -0.308 2.281 0.075 1.00 0.00 C ATOM 601 CG2 ILE A 41 -2.690 2.950 0.578 1.00 0.00 C ATOM 602 CD1 ILE A 41 0.170 2.993 1.339 1.00 0.00 C ATOM 0 H ILE A 41 -0.286 2.362 -2.533 1.00 0.00 H new ATOM 0 HA ILE A 41 -2.376 0.940 -1.217 1.00 0.00 H new ATOM 0 HB ILE A 41 -1.431 3.803 -0.939 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -0.433 1.222 0.299 1.00 0.00 H new ATOM 0 HG13 ILE A 41 0.472 2.357 -0.683 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -2.317 3.597 1.372 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -3.596 3.383 0.153 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -2.916 1.966 0.989 1.00 0.00 H new ATOM 0 HD11 ILE A 41 1.103 2.543 1.679 1.00 0.00 H new ATOM 0 HD12 ILE A 41 0.334 4.049 1.122 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -0.585 2.896 2.119 1.00 0.00 H new ATOM 614 N LEU A 42 -4.477 1.862 -2.254 1.00 0.00 N ATOM 615 CA LEU A 42 -5.761 2.330 -2.737 1.00 0.00 C ATOM 616 C LEU A 42 -6.483 2.942 -1.542 1.00 0.00 C ATOM 617 O LEU A 42 -6.748 2.238 -0.560 1.00 0.00 O ATOM 618 CB LEU A 42 -6.572 1.146 -3.293 1.00 0.00 C ATOM 619 CG LEU A 42 -5.834 0.274 -4.325 1.00 0.00 C ATOM 620 CD1 LEU A 42 -6.709 -0.942 -4.626 1.00 0.00 C ATOM 621 CD2 LEU A 42 -5.528 1.047 -5.609 1.00 0.00 C ATOM 0 H LEU A 42 -4.533 0.937 -1.827 1.00 0.00 H new ATOM 0 HA LEU A 42 -5.640 3.061 -3.537 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -6.879 0.514 -2.460 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -7.482 1.533 -3.752 1.00 0.00 H new ATOM 0 HG LEU A 42 -4.874 -0.037 -3.913 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -6.209 -1.578 -5.356 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -6.877 -1.506 -3.708 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -7.666 -0.611 -5.029 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -5.007 0.395 -6.311 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -6.460 1.391 -6.057 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -4.899 1.906 -5.375 1.00 0.00 H new ATOM 633 N ALA A 43 -6.796 4.235 -1.599 1.00 0.00 N ATOM 634 CA ALA A 43 -7.587 4.892 -0.568 1.00 0.00 C ATOM 635 C ALA A 43 -8.393 6.061 -1.139 1.00 0.00 C ATOM 636 O ALA A 43 -8.412 6.306 -2.349 1.00 0.00 O ATOM 637 CB ALA A 43 -6.668 5.331 0.571 1.00 0.00 C ATOM 0 H ALA A 43 -6.509 4.852 -2.359 1.00 0.00 H new ATOM 0 HA ALA A 43 -8.316 4.185 -0.172 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -7.257 5.823 1.345 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -6.170 4.458 0.994 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -5.920 6.025 0.188 1.00 0.00 H new ATOM 643 N THR A 44 -9.120 6.759 -0.270 1.00 0.00 N ATOM 644 CA THR A 44 -9.954 7.884 -0.668 1.00 0.00 C ATOM 645 C THR A 44 -9.186 9.213 -0.710 1.00 0.00 C ATOM 646 O THR A 44 -9.604 10.121 -1.437 1.00 0.00 O ATOM 647 CB THR A 44 -11.158 7.981 0.281 1.00 0.00 C ATOM 648 OG1 THR A 44 -10.812 7.814 1.639 1.00 0.00 O ATOM 649 CG2 THR A 44 -12.219 6.933 -0.030 1.00 0.00 C ATOM 0 H THR A 44 -9.146 6.558 0.730 1.00 0.00 H new ATOM 0 HA THR A 44 -10.295 7.700 -1.687 1.00 0.00 H new ATOM 0 HB THR A 44 -11.543 8.988 0.119 1.00 0.00 H new ATOM 0 HG1 THR A 44 -10.544 6.885 1.796 1.00 0.00 H new ATOM 0 HG21 THR A 44 -13.051 7.040 0.666 1.00 0.00 H new ATOM 0 HG22 THR A 44 -12.579 7.071 -1.050 1.00 0.00 H new ATOM 0 HG23 THR A 44 -11.787 5.937 0.071 1.00 0.00 H new ATOM 657 N ARG A 45 -8.097 9.356 0.055 1.00 0.00 N ATOM 658 CA ARG A 45 -7.449 10.635 0.351 1.00 0.00 C ATOM 659 C ARG A 45 -5.958 10.486 0.059 1.00 0.00 C ATOM 660 O ARG A 45 -5.163 10.282 0.980 1.00 0.00 O ATOM 661 CB ARG A 45 -7.723 11.088 1.809 1.00 0.00 C ATOM 662 CG ARG A 45 -9.152 10.869 2.332 1.00 0.00 C ATOM 663 CD ARG A 45 -10.145 11.855 1.729 1.00 0.00 C ATOM 664 NE ARG A 45 -11.502 11.287 1.710 1.00 0.00 N ATOM 665 CZ ARG A 45 -12.464 11.704 0.883 1.00 0.00 C ATOM 666 NH1 ARG A 45 -12.343 12.872 0.266 1.00 0.00 N ATOM 667 NH2 ARG A 45 -13.526 10.939 0.673 1.00 0.00 N ATOM 0 H ARG A 45 -7.631 8.563 0.496 1.00 0.00 H new ATOM 0 HA ARG A 45 -7.862 11.421 -0.281 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -7.033 10.560 2.467 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -7.489 12.150 1.887 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -9.469 9.852 2.103 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -9.159 10.968 3.417 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -10.141 12.780 2.306 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -9.839 12.111 0.715 1.00 0.00 H new ATOM 0 HE ARG A 45 -11.720 10.535 2.363 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -11.517 13.449 0.424 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -13.076 13.193 -0.366 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -13.605 10.037 1.142 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -14.264 11.253 0.042 1.00 0.00 H new ATOM 681 N THR A 46 -5.575 10.545 -1.212 1.00 0.00 N ATOM 682 CA THR A 46 -4.204 10.351 -1.665 1.00 0.00 C ATOM 683 C THR A 46 -3.247 11.313 -0.967 1.00 0.00 C ATOM 684 O THR A 46 -2.148 10.915 -0.587 1.00 0.00 O ATOM 685 CB THR A 46 -4.133 10.564 -3.188 1.00 0.00 C ATOM 686 OG1 THR A 46 -5.067 11.543 -3.619 1.00 0.00 O ATOM 687 CG2 THR A 46 -4.422 9.294 -3.973 1.00 0.00 C ATOM 0 H THR A 46 -6.226 10.734 -1.974 1.00 0.00 H new ATOM 0 HA THR A 46 -3.902 9.334 -1.416 1.00 0.00 H new ATOM 0 HB THR A 46 -3.111 10.889 -3.382 1.00 0.00 H new ATOM 0 HG1 THR A 46 -4.997 11.657 -4.590 1.00 0.00 H new ATOM 0 HG21 THR A 46 -4.358 9.504 -5.041 1.00 0.00 H new ATOM 0 HG22 THR A 46 -3.692 8.529 -3.709 1.00 0.00 H new ATOM 0 HG23 THR A 46 -5.424 8.938 -3.733 1.00 0.00 H new ATOM 695 N GLN A 47 -3.641 12.576 -0.776 1.00 0.00 N ATOM 696 CA GLN A 47 -2.753 13.566 -0.179 1.00 0.00 C ATOM 697 C GLN A 47 -2.505 13.280 1.304 1.00 0.00 C ATOM 698 O GLN A 47 -1.506 13.740 1.860 1.00 0.00 O ATOM 699 CB GLN A 47 -3.342 14.967 -0.380 1.00 0.00 C ATOM 700 CG GLN A 47 -2.352 16.107 -0.103 1.00 0.00 C ATOM 701 CD GLN A 47 -1.316 16.257 -1.217 1.00 0.00 C ATOM 702 OE1 GLN A 47 -0.386 15.468 -1.342 1.00 0.00 O ATOM 703 NE2 GLN A 47 -1.445 17.268 -2.057 1.00 0.00 N ATOM 0 H GLN A 47 -4.564 12.931 -1.026 1.00 0.00 H new ATOM 0 HA GLN A 47 -1.785 13.510 -0.678 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -3.703 15.054 -1.405 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -4.206 15.084 0.274 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -2.900 17.042 0.009 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -1.842 15.921 0.842 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -2.219 17.923 -1.951 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -0.770 17.393 -2.811 1.00 0.00 H new ATOM 712 N ASN A 48 -3.393 12.535 1.965 1.00 0.00 N ATOM 713 CA ASN A 48 -3.198 12.156 3.358 1.00 0.00 C ATOM 714 C ASN A 48 -2.098 11.094 3.429 1.00 0.00 C ATOM 715 O ASN A 48 -1.131 11.254 4.167 1.00 0.00 O ATOM 716 CB ASN A 48 -4.537 11.701 3.963 1.00 0.00 C ATOM 717 CG ASN A 48 -4.703 12.108 5.425 1.00 0.00 C ATOM 718 OD1 ASN A 48 -3.926 12.870 5.999 1.00 0.00 O ATOM 719 ND2 ASN A 48 -5.783 11.687 6.052 1.00 0.00 N ATOM 0 H ASN A 48 -4.257 12.183 1.552 1.00 0.00 H new ATOM 0 HA ASN A 48 -2.866 13.003 3.958 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -5.355 12.124 3.379 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -4.615 10.617 3.883 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -5.970 11.993 7.007 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -6.432 11.055 5.582 1.00 0.00 H new ATOM 726 N VAL A 49 -2.183 10.089 2.549 1.00 0.00 N ATOM 727 CA VAL A 49 -1.210 9.003 2.413 1.00 0.00 C ATOM 728 C VAL A 49 0.145 9.516 1.909 1.00 0.00 C ATOM 729 O VAL A 49 1.189 9.026 2.333 1.00 0.00 O ATOM 730 CB VAL A 49 -1.783 7.927 1.467 1.00 0.00 C ATOM 731 CG1 VAL A 49 -0.890 6.689 1.366 1.00 0.00 C ATOM 732 CG2 VAL A 49 -3.184 7.488 1.918 1.00 0.00 C ATOM 0 H VAL A 49 -2.958 10.009 1.891 1.00 0.00 H new ATOM 0 HA VAL A 49 -1.034 8.565 3.395 1.00 0.00 H new ATOM 0 HB VAL A 49 -1.833 8.393 0.483 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -1.344 5.967 0.687 1.00 0.00 H new ATOM 0 HG12 VAL A 49 0.090 6.977 0.986 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -0.779 6.239 2.353 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -3.565 6.729 1.235 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -3.129 7.075 2.925 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -3.853 8.348 1.915 1.00 0.00 H new ATOM 742 N LEU A 50 0.166 10.505 1.010 1.00 0.00 N ATOM 743 CA LEU A 50 1.411 11.180 0.656 1.00 0.00 C ATOM 744 C LEU A 50 1.938 11.933 1.868 1.00 0.00 C ATOM 745 O LEU A 50 3.140 11.927 2.133 1.00 0.00 O ATOM 746 CB LEU A 50 1.212 12.159 -0.513 1.00 0.00 C ATOM 747 CG LEU A 50 1.112 11.488 -1.894 1.00 0.00 C ATOM 748 CD1 LEU A 50 0.831 12.554 -2.961 1.00 0.00 C ATOM 749 CD2 LEU A 50 2.410 10.757 -2.252 1.00 0.00 C ATOM 0 H LEU A 50 -0.659 10.851 0.520 1.00 0.00 H new ATOM 0 HA LEU A 50 2.130 10.424 0.341 1.00 0.00 H new ATOM 0 HB2 LEU A 50 0.305 12.737 -0.337 1.00 0.00 H new ATOM 0 HB3 LEU A 50 2.042 12.865 -0.525 1.00 0.00 H new ATOM 0 HG LEU A 50 0.301 10.761 -1.859 1.00 0.00 H new ATOM 0 HD11 LEU A 50 0.760 12.079 -3.940 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -0.108 13.058 -2.733 1.00 0.00 H new ATOM 0 HD13 LEU A 50 1.641 13.283 -2.969 1.00 0.00 H new ATOM 0 HD21 LEU A 50 2.308 10.293 -3.233 1.00 0.00 H new ATOM 0 HD22 LEU A 50 3.235 11.469 -2.271 1.00 0.00 H new ATOM 0 HD23 LEU A 50 2.612 9.988 -1.507 1.00 0.00 H new ATOM 761 N GLY A 51 1.048 12.604 2.590 1.00 0.00 N ATOM 762 CA GLY A 51 1.393 13.537 3.631 1.00 0.00 C ATOM 763 C GLY A 51 2.005 14.802 3.039 1.00 0.00 C ATOM 764 O GLY A 51 2.191 14.956 1.825 1.00 0.00 O ATOM 0 H GLY A 51 0.042 12.504 2.456 1.00 0.00 H new ATOM 0 HA2 GLY A 51 0.504 13.792 4.207 1.00 0.00 H new ATOM 0 HA3 GLY A 51 2.098 13.075 4.322 1.00 0.00 H new ATOM 768 N GLU A 52 2.357 15.706 3.939 1.00 0.00 N ATOM 769 CA GLU A 52 2.946 17.005 3.683 1.00 0.00 C ATOM 770 C GLU A 52 4.202 16.827 2.827 1.00 0.00 C ATOM 771 O GLU A 52 5.132 16.128 3.230 1.00 0.00 O ATOM 772 CB GLU A 52 3.217 17.622 5.059 1.00 0.00 C ATOM 773 CG GLU A 52 3.996 18.932 5.025 1.00 0.00 C ATOM 774 CD GLU A 52 3.749 19.699 6.322 1.00 0.00 C ATOM 775 OE1 GLU A 52 4.438 19.408 7.334 1.00 0.00 O ATOM 776 OE2 GLU A 52 2.850 20.573 6.342 1.00 0.00 O ATOM 0 H GLU A 52 2.228 15.537 4.937 1.00 0.00 H new ATOM 0 HA GLU A 52 2.297 17.674 3.118 1.00 0.00 H new ATOM 0 HB2 GLU A 52 2.264 17.794 5.559 1.00 0.00 H new ATOM 0 HB3 GLU A 52 3.769 16.902 5.663 1.00 0.00 H new ATOM 0 HG2 GLU A 52 5.061 18.732 4.904 1.00 0.00 H new ATOM 0 HG3 GLU A 52 3.685 19.531 4.169 1.00 0.00 H new ATOM 783 N LYS A 53 4.183 17.385 1.608 1.00 0.00 N ATOM 784 CA LYS A 53 5.221 17.274 0.573 1.00 0.00 C ATOM 785 C LYS A 53 5.646 15.838 0.219 1.00 0.00 C ATOM 786 O LYS A 53 6.572 15.691 -0.583 1.00 0.00 O ATOM 787 CB LYS A 53 6.422 18.179 0.934 1.00 0.00 C ATOM 788 CG LYS A 53 6.124 19.686 0.843 1.00 0.00 C ATOM 789 CD LYS A 53 6.009 20.262 -0.583 1.00 0.00 C ATOM 790 CE LYS A 53 7.309 20.183 -1.405 1.00 0.00 C ATOM 791 NZ LYS A 53 7.278 21.082 -2.585 1.00 0.00 N ATOM 0 H LYS A 53 3.398 17.959 1.300 1.00 0.00 H new ATOM 0 HA LYS A 53 4.768 17.630 -0.352 1.00 0.00 H new ATOM 0 HB2 LYS A 53 6.748 17.945 1.947 1.00 0.00 H new ATOM 0 HB3 LYS A 53 7.253 17.943 0.269 1.00 0.00 H new ATOM 0 HG2 LYS A 53 5.192 19.885 1.371 1.00 0.00 H new ATOM 0 HG3 LYS A 53 6.911 20.225 1.370 1.00 0.00 H new ATOM 0 HD2 LYS A 53 5.223 19.727 -1.116 1.00 0.00 H new ATOM 0 HD3 LYS A 53 5.697 21.304 -0.517 1.00 0.00 H new ATOM 0 HE2 LYS A 53 8.155 20.447 -0.771 1.00 0.00 H new ATOM 0 HE3 LYS A 53 7.467 19.156 -1.736 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 8.172 20.997 -3.110 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 6.486 20.815 -3.204 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 7.154 22.065 -2.269 1.00 0.00 H new ATOM 805 N GLY A 54 4.980 14.789 0.710 1.00 0.00 N ATOM 806 CA GLY A 54 5.368 13.400 0.496 1.00 0.00 C ATOM 807 C GLY A 54 5.994 12.744 1.730 1.00 0.00 C ATOM 808 O GLY A 54 6.697 11.744 1.569 1.00 0.00 O ATOM 0 H GLY A 54 4.139 14.888 1.279 1.00 0.00 H new ATOM 0 HA2 GLY A 54 4.490 12.828 0.196 1.00 0.00 H new ATOM 0 HA3 GLY A 54 6.077 13.352 -0.330 1.00 0.00 H new ATOM 812 N ARG A 55 5.813 13.275 2.949 1.00 0.00 N ATOM 813 CA ARG A 55 6.398 12.650 4.138 1.00 0.00 C ATOM 814 C ARG A 55 5.888 11.233 4.360 1.00 0.00 C ATOM 815 O ARG A 55 6.691 10.311 4.497 1.00 0.00 O ATOM 816 CB ARG A 55 6.175 13.484 5.418 1.00 0.00 C ATOM 817 CG ARG A 55 7.514 13.562 6.173 1.00 0.00 C ATOM 818 CD ARG A 55 7.403 14.258 7.529 1.00 0.00 C ATOM 819 NE ARG A 55 6.823 15.609 7.431 1.00 0.00 N ATOM 820 CZ ARG A 55 7.470 16.761 7.219 1.00 0.00 C ATOM 821 NH1 ARG A 55 8.788 16.799 7.038 1.00 0.00 N ATOM 822 NH2 ARG A 55 6.808 17.909 7.199 1.00 0.00 N ATOM 0 H ARG A 55 5.275 14.122 3.133 1.00 0.00 H new ATOM 0 HA ARG A 55 7.469 12.606 3.939 1.00 0.00 H new ATOM 0 HB2 ARG A 55 5.821 14.483 5.165 1.00 0.00 H new ATOM 0 HB3 ARG A 55 5.410 13.024 6.044 1.00 0.00 H new ATOM 0 HG2 ARG A 55 7.899 12.553 6.321 1.00 0.00 H new ATOM 0 HG3 ARG A 55 8.240 14.094 5.558 1.00 0.00 H new ATOM 0 HD2 ARG A 55 6.789 13.651 8.195 1.00 0.00 H new ATOM 0 HD3 ARG A 55 8.393 14.324 7.980 1.00 0.00 H new ATOM 0 HE ARG A 55 5.811 15.674 7.537 1.00 0.00 H new ATOM 0 HH11 ARG A 55 9.331 15.936 7.059 1.00 0.00 H new ATOM 0 HH12 ARG A 55 9.255 17.691 6.878 1.00 0.00 H new ATOM 0 HH21 ARG A 55 5.799 17.918 7.346 1.00 0.00 H new ATOM 0 HH22 ARG A 55 7.308 18.783 7.037 1.00 0.00 H new ATOM 836 N ARG A 56 4.569 11.062 4.481 1.00 0.00 N ATOM 837 CA ARG A 56 4.016 9.828 5.021 1.00 0.00 C ATOM 838 C ARG A 56 4.269 8.660 4.077 1.00 0.00 C ATOM 839 O ARG A 56 4.545 7.570 4.560 1.00 0.00 O ATOM 840 CB ARG A 56 2.519 9.973 5.352 1.00 0.00 C ATOM 841 CG ARG A 56 2.167 9.188 6.624 1.00 0.00 C ATOM 842 CD ARG A 56 2.297 10.085 7.863 1.00 0.00 C ATOM 843 NE ARG A 56 0.984 10.646 8.237 1.00 0.00 N ATOM 844 CZ ARG A 56 0.738 11.486 9.245 1.00 0.00 C ATOM 845 NH1 ARG A 56 1.738 11.931 9.994 1.00 0.00 N ATOM 846 NH2 ARG A 56 -0.501 11.904 9.480 1.00 0.00 N ATOM 0 H ARG A 56 3.874 11.759 4.214 1.00 0.00 H new ATOM 0 HA ARG A 56 4.531 9.617 5.958 1.00 0.00 H new ATOM 0 HB2 ARG A 56 2.272 11.026 5.488 1.00 0.00 H new ATOM 0 HB3 ARG A 56 1.920 9.610 4.517 1.00 0.00 H new ATOM 0 HG2 ARG A 56 1.150 8.804 6.551 1.00 0.00 H new ATOM 0 HG3 ARG A 56 2.827 8.326 6.721 1.00 0.00 H new ATOM 0 HD2 ARG A 56 2.703 9.509 8.695 1.00 0.00 H new ATOM 0 HD3 ARG A 56 3.000 10.893 7.662 1.00 0.00 H new ATOM 0 HE ARG A 56 0.185 10.364 7.669 1.00 0.00 H new ATOM 0 HH11 ARG A 56 2.693 11.631 9.799 1.00 0.00 H new ATOM 0 HH12 ARG A 56 1.552 12.573 10.765 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -1.268 11.583 8.889 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -0.685 12.546 10.251 1.00 0.00 H new ATOM 860 N ILE A 57 4.274 8.878 2.758 1.00 0.00 N ATOM 861 CA ILE A 57 4.639 7.832 1.804 1.00 0.00 C ATOM 862 C ILE A 57 6.064 7.322 2.084 1.00 0.00 C ATOM 863 O ILE A 57 6.299 6.113 2.110 1.00 0.00 O ATOM 864 CB ILE A 57 4.388 8.294 0.356 1.00 0.00 C ATOM 865 CG1 ILE A 57 4.695 7.155 -0.634 1.00 0.00 C ATOM 866 CG2 ILE A 57 5.124 9.587 -0.034 1.00 0.00 C ATOM 867 CD1 ILE A 57 3.874 7.301 -1.916 1.00 0.00 C ATOM 0 H ILE A 57 4.029 9.770 2.329 1.00 0.00 H new ATOM 0 HA ILE A 57 3.990 6.967 1.937 1.00 0.00 H new ATOM 0 HB ILE A 57 3.329 8.545 0.301 1.00 0.00 H new ATOM 0 HG12 ILE A 57 5.758 7.157 -0.877 1.00 0.00 H new ATOM 0 HG13 ILE A 57 4.477 6.195 -0.167 1.00 0.00 H new ATOM 0 HG21 ILE A 57 4.892 9.840 -1.068 1.00 0.00 H new ATOM 0 HG22 ILE A 57 4.804 10.399 0.619 1.00 0.00 H new ATOM 0 HG23 ILE A 57 6.199 9.440 0.071 1.00 0.00 H new ATOM 0 HD11 ILE A 57 4.112 6.483 -2.596 1.00 0.00 H new ATOM 0 HD12 ILE A 57 2.812 7.273 -1.673 1.00 0.00 H new ATOM 0 HD13 ILE A 57 4.112 8.251 -2.394 1.00 0.00 H new ATOM 879 N ARG A 58 7.024 8.219 2.341 1.00 0.00 N ATOM 880 CA ARG A 58 8.404 7.843 2.642 1.00 0.00 C ATOM 881 C ARG A 58 8.506 7.159 4.001 1.00 0.00 C ATOM 882 O ARG A 58 9.285 6.218 4.147 1.00 0.00 O ATOM 883 CB ARG A 58 9.304 9.088 2.617 1.00 0.00 C ATOM 884 CG ARG A 58 10.618 8.850 1.854 1.00 0.00 C ATOM 885 CD ARG A 58 11.666 9.858 2.340 1.00 0.00 C ATOM 886 NE ARG A 58 12.831 9.999 1.451 1.00 0.00 N ATOM 887 CZ ARG A 58 13.861 10.815 1.719 1.00 0.00 C ATOM 888 NH1 ARG A 58 13.986 11.367 2.924 1.00 0.00 N ATOM 889 NH2 ARG A 58 14.759 11.110 0.787 1.00 0.00 N ATOM 0 H ARG A 58 6.862 9.226 2.345 1.00 0.00 H new ATOM 0 HA ARG A 58 8.736 7.138 1.880 1.00 0.00 H new ATOM 0 HB2 ARG A 58 8.763 9.914 2.154 1.00 0.00 H new ATOM 0 HB3 ARG A 58 9.531 9.389 3.640 1.00 0.00 H new ATOM 0 HG2 ARG A 58 10.970 7.832 2.019 1.00 0.00 H new ATOM 0 HG3 ARG A 58 10.457 8.962 0.782 1.00 0.00 H new ATOM 0 HD2 ARG A 58 11.190 10.832 2.453 1.00 0.00 H new ATOM 0 HD3 ARG A 58 12.013 9.556 3.328 1.00 0.00 H new ATOM 0 HE ARG A 58 12.856 9.451 0.591 1.00 0.00 H new ATOM 0 HH11 ARG A 58 13.296 11.170 3.649 1.00 0.00 H new ATOM 0 HH12 ARG A 58 14.772 11.987 3.122 1.00 0.00 H new ATOM 0 HH21 ARG A 58 14.671 10.714 -0.149 1.00 0.00 H new ATOM 0 HH22 ARG A 58 15.537 11.732 1.007 1.00 0.00 H new ATOM 903 N GLU A 59 7.759 7.615 5.006 1.00 0.00 N ATOM 904 CA GLU A 59 7.739 6.954 6.307 1.00 0.00 C ATOM 905 C GLU A 59 7.190 5.537 6.148 1.00 0.00 C ATOM 906 O GLU A 59 7.849 4.584 6.567 1.00 0.00 O ATOM 907 CB GLU A 59 6.956 7.775 7.344 1.00 0.00 C ATOM 908 CG GLU A 59 7.829 8.913 7.904 1.00 0.00 C ATOM 909 CD GLU A 59 7.275 9.588 9.164 1.00 0.00 C ATOM 910 OE1 GLU A 59 6.328 9.069 9.806 1.00 0.00 O ATOM 911 OE2 GLU A 59 7.825 10.651 9.541 1.00 0.00 O ATOM 0 H GLU A 59 7.161 8.439 4.943 1.00 0.00 H new ATOM 0 HA GLU A 59 8.757 6.883 6.689 1.00 0.00 H new ATOM 0 HB2 GLU A 59 6.058 8.190 6.885 1.00 0.00 H new ATOM 0 HB3 GLU A 59 6.628 7.127 8.157 1.00 0.00 H new ATOM 0 HG2 GLU A 59 8.819 8.516 8.127 1.00 0.00 H new ATOM 0 HG3 GLU A 59 7.956 9.669 7.130 1.00 0.00 H new ATOM 918 N LEU A 60 6.049 5.377 5.465 1.00 0.00 N ATOM 919 CA LEU A 60 5.475 4.070 5.165 1.00 0.00 C ATOM 920 C LEU A 60 6.434 3.208 4.338 1.00 0.00 C ATOM 921 O LEU A 60 6.405 1.990 4.489 1.00 0.00 O ATOM 922 CB LEU A 60 4.101 4.164 4.481 1.00 0.00 C ATOM 923 CG LEU A 60 2.930 4.458 5.443 1.00 0.00 C ATOM 924 CD1 LEU A 60 1.622 4.386 4.652 1.00 0.00 C ATOM 925 CD2 LEU A 60 2.819 3.467 6.618 1.00 0.00 C ATOM 0 H LEU A 60 5.500 6.158 5.106 1.00 0.00 H new ATOM 0 HA LEU A 60 5.319 3.583 6.127 1.00 0.00 H new ATOM 0 HB2 LEU A 60 4.138 4.947 3.723 1.00 0.00 H new ATOM 0 HB3 LEU A 60 3.902 3.227 3.961 1.00 0.00 H new ATOM 0 HG LEU A 60 3.119 5.445 5.866 1.00 0.00 H new ATOM 0 HD11 LEU A 60 0.783 4.591 5.317 1.00 0.00 H new ATOM 0 HD12 LEU A 60 1.640 5.125 3.851 1.00 0.00 H new ATOM 0 HD13 LEU A 60 1.510 3.390 4.224 1.00 0.00 H new ATOM 0 HD21 LEU A 60 1.972 3.742 7.247 1.00 0.00 H new ATOM 0 HD22 LEU A 60 2.671 2.459 6.231 1.00 0.00 H new ATOM 0 HD23 LEU A 60 3.735 3.498 7.208 1.00 0.00 H new ATOM 937 N THR A 61 7.307 3.797 3.512 1.00 0.00 N ATOM 938 CA THR A 61 8.336 3.057 2.786 1.00 0.00 C ATOM 939 C THR A 61 9.258 2.370 3.795 1.00 0.00 C ATOM 940 O THR A 61 9.375 1.149 3.763 1.00 0.00 O ATOM 941 CB THR A 61 9.090 3.982 1.808 1.00 0.00 C ATOM 942 OG1 THR A 61 8.182 4.607 0.917 1.00 0.00 O ATOM 943 CG2 THR A 61 10.162 3.262 0.986 1.00 0.00 C ATOM 0 H THR A 61 7.317 4.801 3.331 1.00 0.00 H new ATOM 0 HA THR A 61 7.880 2.282 2.170 1.00 0.00 H new ATOM 0 HB THR A 61 9.594 4.720 2.432 1.00 0.00 H new ATOM 0 HG1 THR A 61 7.725 5.341 1.378 1.00 0.00 H new ATOM 0 HG21 THR A 61 10.650 3.974 0.321 1.00 0.00 H new ATOM 0 HG22 THR A 61 10.902 2.825 1.656 1.00 0.00 H new ATOM 0 HG23 THR A 61 9.698 2.473 0.394 1.00 0.00 H new ATOM 951 N ALA A 62 9.870 3.132 4.705 1.00 0.00 N ATOM 952 CA ALA A 62 10.834 2.644 5.687 1.00 0.00 C ATOM 953 C ALA A 62 10.230 1.574 6.600 1.00 0.00 C ATOM 954 O ALA A 62 10.814 0.506 6.783 1.00 0.00 O ATOM 955 CB ALA A 62 11.302 3.842 6.520 1.00 0.00 C ATOM 0 H ALA A 62 9.701 4.135 4.779 1.00 0.00 H new ATOM 0 HA ALA A 62 11.670 2.179 5.165 1.00 0.00 H new ATOM 0 HB1 ALA A 62 12.025 3.508 7.264 1.00 0.00 H new ATOM 0 HB2 ALA A 62 11.768 4.579 5.867 1.00 0.00 H new ATOM 0 HB3 ALA A 62 10.446 4.292 7.022 1.00 0.00 H new ATOM 961 N VAL A 63 9.067 1.855 7.188 1.00 0.00 N ATOM 962 CA VAL A 63 8.393 0.913 8.074 1.00 0.00 C ATOM 963 C VAL A 63 8.097 -0.387 7.312 1.00 0.00 C ATOM 964 O VAL A 63 8.523 -1.433 7.785 1.00 0.00 O ATOM 965 CB VAL A 63 7.178 1.586 8.746 1.00 0.00 C ATOM 966 CG1 VAL A 63 6.117 1.970 7.742 1.00 0.00 C ATOM 967 CG2 VAL A 63 6.476 0.757 9.810 1.00 0.00 C ATOM 0 H VAL A 63 8.570 2.737 7.063 1.00 0.00 H new ATOM 0 HA VAL A 63 9.036 0.620 8.904 1.00 0.00 H new ATOM 0 HB VAL A 63 7.628 2.455 9.225 1.00 0.00 H new ATOM 0 HG11 VAL A 63 5.280 2.440 8.259 1.00 0.00 H new ATOM 0 HG12 VAL A 63 6.536 2.670 7.019 1.00 0.00 H new ATOM 0 HG13 VAL A 63 5.767 1.078 7.223 1.00 0.00 H new ATOM 0 HG21 VAL A 63 5.638 1.322 10.217 1.00 0.00 H new ATOM 0 HG22 VAL A 63 6.108 -0.168 9.366 1.00 0.00 H new ATOM 0 HG23 VAL A 63 7.178 0.522 10.610 1.00 0.00 H new ATOM 977 N VAL A 64 7.460 -0.358 6.129 1.00 0.00 N ATOM 978 CA VAL A 64 7.187 -1.556 5.323 1.00 0.00 C ATOM 979 C VAL A 64 8.498 -2.271 4.999 1.00 0.00 C ATOM 980 O VAL A 64 8.576 -3.494 5.122 1.00 0.00 O ATOM 981 CB VAL A 64 6.402 -1.173 4.045 1.00 0.00 C ATOM 982 CG1 VAL A 64 6.413 -2.253 2.949 1.00 0.00 C ATOM 983 CG2 VAL A 64 4.943 -0.851 4.416 1.00 0.00 C ATOM 0 H VAL A 64 7.119 0.504 5.704 1.00 0.00 H new ATOM 0 HA VAL A 64 6.564 -2.247 5.891 1.00 0.00 H new ATOM 0 HB VAL A 64 6.911 -0.304 3.629 1.00 0.00 H new ATOM 0 HG11 VAL A 64 5.841 -1.905 2.089 1.00 0.00 H new ATOM 0 HG12 VAL A 64 7.441 -2.452 2.645 1.00 0.00 H new ATOM 0 HG13 VAL A 64 5.965 -3.169 3.336 1.00 0.00 H new ATOM 0 HG21 VAL A 64 4.390 -0.581 3.516 1.00 0.00 H new ATOM 0 HG22 VAL A 64 4.483 -1.726 4.876 1.00 0.00 H new ATOM 0 HG23 VAL A 64 4.922 -0.018 5.119 1.00 0.00 H new ATOM 993 N GLN A 65 9.533 -1.525 4.615 1.00 0.00 N ATOM 994 CA GLN A 65 10.843 -2.065 4.316 1.00 0.00 C ATOM 995 C GLN A 65 11.356 -2.920 5.474 1.00 0.00 C ATOM 996 O GLN A 65 11.841 -4.023 5.233 1.00 0.00 O ATOM 997 CB GLN A 65 11.819 -0.930 3.977 1.00 0.00 C ATOM 998 CG GLN A 65 12.007 -0.722 2.472 1.00 0.00 C ATOM 999 CD GLN A 65 13.252 0.118 2.225 1.00 0.00 C ATOM 1000 OE1 GLN A 65 13.192 1.273 1.809 1.00 0.00 O ATOM 1001 NE2 GLN A 65 14.413 -0.445 2.518 1.00 0.00 N ATOM 0 H GLN A 65 9.476 -0.513 4.503 1.00 0.00 H new ATOM 0 HA GLN A 65 10.764 -2.714 3.444 1.00 0.00 H new ATOM 0 HB2 GLN A 65 11.457 -0.003 4.422 1.00 0.00 H new ATOM 0 HB3 GLN A 65 12.787 -1.145 4.431 1.00 0.00 H new ATOM 0 HG2 GLN A 65 12.100 -1.685 1.970 1.00 0.00 H new ATOM 0 HG3 GLN A 65 11.132 -0.227 2.051 1.00 0.00 H new ATOM 0 HE21 GLN A 65 14.442 -1.405 2.862 1.00 0.00 H new ATOM 0 HE22 GLN A 65 15.279 0.081 2.400 1.00 0.00 H new ATOM 1010 N LYS A 66 11.213 -2.469 6.721 1.00 0.00 N ATOM 1011 CA LYS A 66 11.582 -3.284 7.873 1.00 0.00 C ATOM 1012 C LYS A 66 10.577 -4.415 8.084 1.00 0.00 C ATOM 1013 O LYS A 66 10.994 -5.571 8.131 1.00 0.00 O ATOM 1014 CB LYS A 66 11.735 -2.415 9.119 1.00 0.00 C ATOM 1015 CG LYS A 66 12.975 -1.511 9.004 1.00 0.00 C ATOM 1016 CD LYS A 66 13.167 -0.665 10.262 1.00 0.00 C ATOM 1017 CE LYS A 66 13.578 -1.524 11.465 1.00 0.00 C ATOM 1018 NZ LYS A 66 13.422 -0.791 12.733 1.00 0.00 N ATOM 0 H LYS A 66 10.845 -1.547 6.956 1.00 0.00 H new ATOM 0 HA LYS A 66 12.549 -3.746 7.677 1.00 0.00 H new ATOM 0 HB2 LYS A 66 10.843 -1.802 9.253 1.00 0.00 H new ATOM 0 HB3 LYS A 66 11.822 -3.049 10.002 1.00 0.00 H new ATOM 0 HG2 LYS A 66 13.860 -2.125 8.838 1.00 0.00 H new ATOM 0 HG3 LYS A 66 12.872 -0.858 8.137 1.00 0.00 H new ATOM 0 HD2 LYS A 66 13.929 0.093 10.078 1.00 0.00 H new ATOM 0 HD3 LYS A 66 12.241 -0.137 10.491 1.00 0.00 H new ATOM 0 HE2 LYS A 66 12.972 -2.429 11.490 1.00 0.00 H new ATOM 0 HE3 LYS A 66 14.615 -1.838 11.351 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 13.709 -1.402 13.525 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 14.020 0.060 12.718 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 12.427 -0.513 12.853 1.00 0.00 H new ATOM 1032 N ARG A 67 9.280 -4.102 8.163 1.00 0.00 N ATOM 1033 CA ARG A 67 8.173 -5.019 8.468 1.00 0.00 C ATOM 1034 C ARG A 67 8.135 -6.228 7.529 1.00 0.00 C ATOM 1035 O ARG A 67 7.582 -7.254 7.901 1.00 0.00 O ATOM 1036 CB ARG A 67 6.840 -4.225 8.441 1.00 0.00 C ATOM 1037 CG ARG A 67 5.794 -4.541 9.524 1.00 0.00 C ATOM 1038 CD ARG A 67 4.860 -5.702 9.157 1.00 0.00 C ATOM 1039 NE ARG A 67 3.831 -5.948 10.183 1.00 0.00 N ATOM 1040 CZ ARG A 67 2.804 -6.799 10.056 1.00 0.00 C ATOM 1041 NH1 ARG A 67 2.734 -7.651 9.044 1.00 0.00 N ATOM 1042 NH2 ARG A 67 1.825 -6.786 10.941 1.00 0.00 N ATOM 0 H ARG A 67 8.954 -3.148 8.007 1.00 0.00 H new ATOM 0 HA ARG A 67 8.328 -5.431 9.465 1.00 0.00 H new ATOM 0 HB2 ARG A 67 7.081 -3.164 8.508 1.00 0.00 H new ATOM 0 HB3 ARG A 67 6.374 -4.386 7.469 1.00 0.00 H new ATOM 0 HG2 ARG A 67 6.308 -4.780 10.455 1.00 0.00 H new ATOM 0 HG3 ARG A 67 5.195 -3.649 9.710 1.00 0.00 H new ATOM 0 HD2 ARG A 67 4.374 -5.486 8.205 1.00 0.00 H new ATOM 0 HD3 ARG A 67 5.450 -6.607 9.015 1.00 0.00 H new ATOM 0 HE ARG A 67 3.907 -5.430 11.058 1.00 0.00 H new ATOM 0 HH11 ARG A 67 3.472 -7.669 8.340 1.00 0.00 H new ATOM 0 HH12 ARG A 67 1.942 -8.289 8.969 1.00 0.00 H new ATOM 0 HH21 ARG A 67 1.851 -6.129 11.720 1.00 0.00 H new ATOM 0 HH22 ARG A 67 1.043 -7.433 10.845 1.00 0.00 H new ATOM 1056 N PHE A 68 8.698 -6.114 6.323 1.00 0.00 N ATOM 1057 CA PHE A 68 8.650 -7.142 5.288 1.00 0.00 C ATOM 1058 C PHE A 68 10.035 -7.480 4.714 1.00 0.00 C ATOM 1059 O PHE A 68 10.147 -8.403 3.906 1.00 0.00 O ATOM 1060 CB PHE A 68 7.663 -6.680 4.209 1.00 0.00 C ATOM 1061 CG PHE A 68 6.230 -6.614 4.687 1.00 0.00 C ATOM 1062 CD1 PHE A 68 5.410 -7.746 4.562 1.00 0.00 C ATOM 1063 CD2 PHE A 68 5.706 -5.433 5.239 1.00 0.00 C ATOM 1064 CE1 PHE A 68 4.061 -7.685 4.943 1.00 0.00 C ATOM 1065 CE2 PHE A 68 4.380 -5.399 5.701 1.00 0.00 C ATOM 1066 CZ PHE A 68 3.552 -6.524 5.552 1.00 0.00 C ATOM 0 H PHE A 68 9.212 -5.281 6.035 1.00 0.00 H new ATOM 0 HA PHE A 68 8.304 -8.078 5.726 1.00 0.00 H new ATOM 0 HB2 PHE A 68 7.964 -5.695 3.851 1.00 0.00 H new ATOM 0 HB3 PHE A 68 7.723 -7.360 3.359 1.00 0.00 H new ATOM 0 HD1 PHE A 68 5.818 -8.666 4.172 1.00 0.00 H new ATOM 0 HD2 PHE A 68 6.324 -4.550 5.308 1.00 0.00 H new ATOM 0 HE1 PHE A 68 3.413 -8.531 4.768 1.00 0.00 H new ATOM 0 HE2 PHE A 68 3.996 -4.506 6.172 1.00 0.00 H new ATOM 0 HZ PHE A 68 2.531 -6.497 5.903 1.00 0.00 H new ATOM 1076 N GLY A 69 11.100 -6.791 5.137 1.00 0.00 N ATOM 1077 CA GLY A 69 12.486 -7.111 4.802 1.00 0.00 C ATOM 1078 C GLY A 69 12.970 -6.557 3.457 1.00 0.00 C ATOM 1079 O GLY A 69 14.072 -6.910 3.027 1.00 0.00 O ATOM 0 H GLY A 69 11.016 -5.972 5.739 1.00 0.00 H new ATOM 0 HA2 GLY A 69 13.133 -6.727 5.591 1.00 0.00 H new ATOM 0 HA3 GLY A 69 12.602 -8.195 4.795 1.00 0.00 H new ATOM 1083 N PHE A 70 12.187 -5.715 2.774 1.00 0.00 N ATOM 1084 CA PHE A 70 12.532 -5.209 1.446 1.00 0.00 C ATOM 1085 C PHE A 70 13.840 -4.400 1.461 1.00 0.00 C ATOM 1086 O PHE A 70 14.085 -3.648 2.415 1.00 0.00 O ATOM 1087 CB PHE A 70 11.417 -4.323 0.882 1.00 0.00 C ATOM 1088 CG PHE A 70 10.188 -5.068 0.418 1.00 0.00 C ATOM 1089 CD1 PHE A 70 10.149 -5.668 -0.855 1.00 0.00 C ATOM 1090 CD2 PHE A 70 9.066 -5.132 1.258 1.00 0.00 C ATOM 1091 CE1 PHE A 70 8.996 -6.355 -1.274 1.00 0.00 C ATOM 1092 CE2 PHE A 70 7.916 -5.817 0.838 1.00 0.00 C ATOM 1093 CZ PHE A 70 7.878 -6.433 -0.426 1.00 0.00 C ATOM 0 H PHE A 70 11.296 -5.366 3.129 1.00 0.00 H new ATOM 0 HA PHE A 70 12.663 -6.085 0.811 1.00 0.00 H new ATOM 0 HB2 PHE A 70 11.122 -3.604 1.647 1.00 0.00 H new ATOM 0 HB3 PHE A 70 11.816 -3.751 0.044 1.00 0.00 H new ATOM 0 HD1 PHE A 70 11.005 -5.601 -1.510 1.00 0.00 H new ATOM 0 HD2 PHE A 70 9.088 -4.655 2.227 1.00 0.00 H new ATOM 0 HE1 PHE A 70 8.970 -6.823 -2.247 1.00 0.00 H new ATOM 0 HE2 PHE A 70 7.056 -5.872 1.488 1.00 0.00 H new ATOM 0 HZ PHE A 70 6.993 -6.964 -0.744 1.00 0.00 H new ATOM 1103 N PRO A 71 14.661 -4.499 0.400 1.00 0.00 N ATOM 1104 CA PRO A 71 15.713 -3.528 0.132 1.00 0.00 C ATOM 1105 C PRO A 71 15.109 -2.146 -0.142 1.00 0.00 C ATOM 1106 O PRO A 71 13.930 -2.033 -0.481 1.00 0.00 O ATOM 1107 CB PRO A 71 16.459 -4.028 -1.112 1.00 0.00 C ATOM 1108 CG PRO A 71 15.919 -5.434 -1.371 1.00 0.00 C ATOM 1109 CD PRO A 71 14.553 -5.442 -0.701 1.00 0.00 C ATOM 0 HA PRO A 71 16.382 -3.431 0.987 1.00 0.00 H new ATOM 0 HB2 PRO A 71 16.280 -3.375 -1.966 1.00 0.00 H new ATOM 0 HB3 PRO A 71 17.536 -4.045 -0.944 1.00 0.00 H new ATOM 0 HG2 PRO A 71 15.840 -5.639 -2.439 1.00 0.00 H new ATOM 0 HG3 PRO A 71 16.574 -6.196 -0.948 1.00 0.00 H new ATOM 0 HD2 PRO A 71 13.771 -5.144 -1.399 1.00 0.00 H new ATOM 0 HD3 PRO A 71 14.297 -6.439 -0.342 1.00 0.00 H new ATOM 1117 N GLU A 72 15.931 -1.100 -0.073 1.00 0.00 N ATOM 1118 CA GLU A 72 15.568 0.197 -0.630 1.00 0.00 C ATOM 1119 C GLU A 72 15.549 0.034 -2.152 1.00 0.00 C ATOM 1120 O GLU A 72 16.411 -0.650 -2.715 1.00 0.00 O ATOM 1121 CB GLU A 72 16.591 1.272 -0.236 1.00 0.00 C ATOM 1122 CG GLU A 72 16.759 1.493 1.275 1.00 0.00 C ATOM 1123 CD GLU A 72 17.849 2.512 1.641 1.00 0.00 C ATOM 1124 OE1 GLU A 72 18.772 2.746 0.831 1.00 0.00 O ATOM 1125 OE2 GLU A 72 17.784 3.038 2.782 1.00 0.00 O ATOM 0 H GLU A 72 16.852 -1.128 0.364 1.00 0.00 H new ATOM 0 HA GLU A 72 14.598 0.515 -0.248 1.00 0.00 H new ATOM 0 HB2 GLU A 72 17.559 1.001 -0.657 1.00 0.00 H new ATOM 0 HB3 GLU A 72 16.297 2.216 -0.695 1.00 0.00 H new ATOM 0 HG2 GLU A 72 15.809 1.828 1.690 1.00 0.00 H new ATOM 0 HG3 GLU A 72 16.995 0.539 1.747 1.00 0.00 H new ATOM 1132 N GLY A 73 14.593 0.669 -2.823 1.00 0.00 N ATOM 1133 CA GLY A 73 14.511 0.746 -4.274 1.00 0.00 C ATOM 1134 C GLY A 73 13.916 -0.504 -4.922 1.00 0.00 C ATOM 1135 O GLY A 73 13.078 -0.379 -5.811 1.00 0.00 O ATOM 0 H GLY A 73 13.831 1.159 -2.355 1.00 0.00 H new ATOM 0 HA2 GLY A 73 13.907 1.610 -4.550 1.00 0.00 H new ATOM 0 HA3 GLY A 73 15.510 0.913 -4.677 1.00 0.00 H new ATOM 1139 N SER A 74 14.264 -1.704 -4.451 1.00 0.00 N ATOM 1140 CA SER A 74 13.595 -2.944 -4.854 1.00 0.00 C ATOM 1141 C SER A 74 12.141 -3.028 -4.360 1.00 0.00 C ATOM 1142 O SER A 74 11.424 -3.959 -4.737 1.00 0.00 O ATOM 1143 CB SER A 74 14.388 -4.143 -4.353 1.00 0.00 C ATOM 1144 OG SER A 74 15.638 -4.203 -5.010 1.00 0.00 O ATOM 0 H SER A 74 15.018 -1.844 -3.779 1.00 0.00 H new ATOM 0 HA SER A 74 13.557 -2.949 -5.943 1.00 0.00 H new ATOM 0 HB2 SER A 74 14.537 -4.067 -3.276 1.00 0.00 H new ATOM 0 HB3 SER A 74 13.828 -5.061 -4.533 1.00 0.00 H new ATOM 0 HG SER A 74 16.143 -4.976 -4.682 1.00 0.00 H new ATOM 1150 N VAL A 75 11.686 -2.059 -3.567 1.00 0.00 N ATOM 1151 CA VAL A 75 10.286 -1.806 -3.300 1.00 0.00 C ATOM 1152 C VAL A 75 10.040 -0.352 -3.686 1.00 0.00 C ATOM 1153 O VAL A 75 10.889 0.506 -3.427 1.00 0.00 O ATOM 1154 CB VAL A 75 9.977 -2.150 -1.828 1.00 0.00 C ATOM 1155 CG1 VAL A 75 10.523 -1.157 -0.786 1.00 0.00 C ATOM 1156 CG2 VAL A 75 8.477 -2.336 -1.596 1.00 0.00 C ATOM 0 H VAL A 75 12.308 -1.413 -3.081 1.00 0.00 H new ATOM 0 HA VAL A 75 9.606 -2.430 -3.880 1.00 0.00 H new ATOM 0 HB VAL A 75 10.512 -3.087 -1.671 1.00 0.00 H new ATOM 0 HG11 VAL A 75 10.250 -1.493 0.214 1.00 0.00 H new ATOM 0 HG12 VAL A 75 11.609 -1.104 -0.867 1.00 0.00 H new ATOM 0 HG13 VAL A 75 10.097 -0.170 -0.966 1.00 0.00 H new ATOM 0 HG21 VAL A 75 8.298 -2.577 -0.548 1.00 0.00 H new ATOM 0 HG22 VAL A 75 7.952 -1.415 -1.851 1.00 0.00 H new ATOM 0 HG23 VAL A 75 8.110 -3.148 -2.223 1.00 0.00 H new ATOM 1166 N GLU A 76 8.887 -0.066 -4.282 1.00 0.00 N ATOM 1167 CA GLU A 76 8.431 1.280 -4.565 1.00 0.00 C ATOM 1168 C GLU A 76 7.030 1.414 -4.002 1.00 0.00 C ATOM 1169 O GLU A 76 6.177 0.562 -4.273 1.00 0.00 O ATOM 1170 CB GLU A 76 8.417 1.541 -6.077 1.00 0.00 C ATOM 1171 CG GLU A 76 8.979 2.928 -6.416 1.00 0.00 C ATOM 1172 CD GLU A 76 10.374 2.834 -7.012 1.00 0.00 C ATOM 1173 OE1 GLU A 76 10.456 2.600 -8.240 1.00 0.00 O ATOM 1174 OE2 GLU A 76 11.391 2.980 -6.298 1.00 0.00 O ATOM 0 H GLU A 76 8.231 -0.785 -4.587 1.00 0.00 H new ATOM 0 HA GLU A 76 9.103 2.008 -4.110 1.00 0.00 H new ATOM 0 HB2 GLU A 76 9.005 0.776 -6.584 1.00 0.00 H new ATOM 0 HB3 GLU A 76 7.397 1.460 -6.451 1.00 0.00 H new ATOM 0 HG2 GLU A 76 8.314 3.429 -7.120 1.00 0.00 H new ATOM 0 HG3 GLU A 76 9.008 3.540 -5.515 1.00 0.00 H new ATOM 1181 N LEU A 77 6.788 2.475 -3.235 1.00 0.00 N ATOM 1182 CA LEU A 77 5.462 2.765 -2.721 1.00 0.00 C ATOM 1183 C LEU A 77 4.846 3.880 -3.554 1.00 0.00 C ATOM 1184 O LEU A 77 5.510 4.872 -3.848 1.00 0.00 O ATOM 1185 CB LEU A 77 5.512 3.168 -1.239 1.00 0.00 C ATOM 1186 CG LEU A 77 5.540 1.965 -0.273 1.00 0.00 C ATOM 1187 CD1 LEU A 77 6.895 1.254 -0.246 1.00 0.00 C ATOM 1188 CD2 LEU A 77 5.161 2.456 1.129 1.00 0.00 C ATOM 0 H LEU A 77 7.502 3.149 -2.957 1.00 0.00 H new ATOM 0 HA LEU A 77 4.850 1.866 -2.792 1.00 0.00 H new ATOM 0 HB2 LEU A 77 6.396 3.782 -1.068 1.00 0.00 H new ATOM 0 HB3 LEU A 77 4.645 3.787 -1.010 1.00 0.00 H new ATOM 0 HG LEU A 77 4.820 1.228 -0.628 1.00 0.00 H new ATOM 0 HD11 LEU A 77 6.853 0.417 0.451 1.00 0.00 H new ATOM 0 HD12 LEU A 77 7.132 0.884 -1.244 1.00 0.00 H new ATOM 0 HD13 LEU A 77 7.667 1.954 0.074 1.00 0.00 H new ATOM 0 HD21 LEU A 77 5.176 1.617 1.825 1.00 0.00 H new ATOM 0 HD22 LEU A 77 5.876 3.211 1.456 1.00 0.00 H new ATOM 0 HD23 LEU A 77 4.161 2.889 1.105 1.00 0.00 H new ATOM 1200 N TYR A 78 3.564 3.726 -3.873 1.00 0.00 N ATOM 1201 CA TYR A 78 2.694 4.683 -4.530 1.00 0.00 C ATOM 1202 C TYR A 78 1.387 4.808 -3.733 1.00 0.00 C ATOM 1203 O TYR A 78 1.109 3.975 -2.854 1.00 0.00 O ATOM 1204 CB TYR A 78 2.419 4.169 -5.944 1.00 0.00 C ATOM 1205 CG TYR A 78 3.659 3.892 -6.772 1.00 0.00 C ATOM 1206 CD1 TYR A 78 4.312 4.968 -7.399 1.00 0.00 C ATOM 1207 CD2 TYR A 78 4.154 2.579 -6.937 1.00 0.00 C ATOM 1208 CE1 TYR A 78 5.405 4.734 -8.247 1.00 0.00 C ATOM 1209 CE2 TYR A 78 5.234 2.339 -7.798 1.00 0.00 C ATOM 1210 CZ TYR A 78 5.852 3.415 -8.476 1.00 0.00 C ATOM 1211 OH TYR A 78 6.865 3.219 -9.363 1.00 0.00 O ATOM 0 H TYR A 78 3.073 2.858 -3.660 1.00 0.00 H new ATOM 0 HA TYR A 78 3.158 5.668 -4.581 1.00 0.00 H new ATOM 0 HB2 TYR A 78 1.833 3.252 -5.875 1.00 0.00 H new ATOM 0 HB3 TYR A 78 1.805 4.901 -6.469 1.00 0.00 H new ATOM 0 HD1 TYR A 78 3.971 5.978 -7.227 1.00 0.00 H new ATOM 0 HD2 TYR A 78 3.700 1.760 -6.399 1.00 0.00 H new ATOM 0 HE1 TYR A 78 5.905 5.564 -8.725 1.00 0.00 H new ATOM 0 HE2 TYR A 78 5.594 1.331 -7.944 1.00 0.00 H new ATOM 0 HH TYR A 78 7.070 2.262 -9.420 1.00 0.00 H new ATOM 1221 N ALA A 79 0.575 5.822 -4.038 1.00 0.00 N ATOM 1222 CA ALA A 79 -0.718 6.102 -3.426 1.00 0.00 C ATOM 1223 C ALA A 79 -1.699 6.541 -4.517 1.00 0.00 C ATOM 1224 O ALA A 79 -1.485 7.559 -5.188 1.00 0.00 O ATOM 1225 CB ALA A 79 -0.565 7.191 -2.356 1.00 0.00 C ATOM 0 H ALA A 79 0.818 6.504 -4.757 1.00 0.00 H new ATOM 0 HA ALA A 79 -1.104 5.205 -2.941 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -1.535 7.395 -1.903 1.00 0.00 H new ATOM 0 HB2 ALA A 79 0.130 6.851 -1.588 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -0.181 8.101 -2.816 1.00 0.00 H new ATOM 1231 N GLU A 80 -2.792 5.800 -4.678 1.00 0.00 N ATOM 1232 CA GLU A 80 -3.777 5.996 -5.727 1.00 0.00 C ATOM 1233 C GLU A 80 -5.144 6.308 -5.125 1.00 0.00 C ATOM 1234 O GLU A 80 -5.504 5.814 -4.049 1.00 0.00 O ATOM 1235 CB GLU A 80 -3.865 4.714 -6.552 1.00 0.00 C ATOM 1236 CG GLU A 80 -4.501 4.918 -7.925 1.00 0.00 C ATOM 1237 CD GLU A 80 -3.456 5.292 -8.964 1.00 0.00 C ATOM 1238 OE1 GLU A 80 -2.865 6.393 -8.864 1.00 0.00 O ATOM 1239 OE2 GLU A 80 -3.285 4.510 -9.930 1.00 0.00 O ATOM 0 H GLU A 80 -3.020 5.022 -4.059 1.00 0.00 H new ATOM 0 HA GLU A 80 -3.477 6.835 -6.355 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -2.863 4.305 -6.681 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -4.443 3.974 -5.999 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -5.012 4.005 -8.231 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -5.256 5.702 -7.866 1.00 0.00 H new ATOM 1246 N LYS A 81 -5.932 7.106 -5.843 1.00 0.00 N ATOM 1247 CA LYS A 81 -7.321 7.329 -5.527 1.00 0.00 C ATOM 1248 C LYS A 81 -8.142 6.108 -5.917 1.00 0.00 C ATOM 1249 O LYS A 81 -7.874 5.448 -6.925 1.00 0.00 O ATOM 1250 CB LYS A 81 -7.805 8.557 -6.297 1.00 0.00 C ATOM 1251 CG LYS A 81 -7.503 9.868 -5.558 1.00 0.00 C ATOM 1252 CD LYS A 81 -8.594 10.891 -5.860 1.00 0.00 C ATOM 1253 CE LYS A 81 -8.331 12.236 -5.170 1.00 0.00 C ATOM 1254 NZ LYS A 81 -7.368 13.083 -5.906 1.00 0.00 N ATOM 0 H LYS A 81 -5.611 7.616 -6.666 1.00 0.00 H new ATOM 0 HA LYS A 81 -7.438 7.497 -4.456 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -7.330 8.578 -7.278 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -8.879 8.477 -6.465 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -7.447 9.687 -4.485 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -6.532 10.255 -5.867 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -8.659 11.043 -6.937 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -9.558 10.499 -5.534 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -9.273 12.774 -5.064 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -7.952 12.054 -4.164 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -7.230 13.977 -5.393 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -6.458 12.585 -5.986 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -7.738 13.283 -6.857 1.00 0.00 H new ATOM 1268 N VAL A 82 -9.192 5.879 -5.140 1.00 0.00 N ATOM 1269 CA VAL A 82 -10.230 4.886 -5.378 1.00 0.00 C ATOM 1270 C VAL A 82 -11.334 5.546 -6.205 1.00 0.00 C ATOM 1271 O VAL A 82 -11.463 6.776 -6.235 1.00 0.00 O ATOM 1272 CB VAL A 82 -10.717 4.375 -4.006 1.00 0.00 C ATOM 1273 CG1 VAL A 82 -12.012 3.556 -3.983 1.00 0.00 C ATOM 1274 CG2 VAL A 82 -9.631 3.507 -3.359 1.00 0.00 C ATOM 0 H VAL A 82 -9.351 6.408 -4.283 1.00 0.00 H new ATOM 0 HA VAL A 82 -9.872 4.024 -5.942 1.00 0.00 H new ATOM 0 HB VAL A 82 -10.931 5.296 -3.464 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -12.238 3.261 -2.958 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -12.831 4.159 -4.376 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -11.890 2.665 -4.598 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -9.980 3.149 -2.391 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -9.414 2.655 -4.004 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -8.726 4.099 -3.222 1.00 0.00 H new ATOM 1284 N ALA A 83 -12.135 4.714 -6.862 1.00 0.00 N ATOM 1285 CA ALA A 83 -13.205 5.124 -7.756 1.00 0.00 C ATOM 1286 C ALA A 83 -14.518 5.325 -7.005 1.00 0.00 C ATOM 1287 O ALA A 83 -14.699 4.844 -5.878 1.00 0.00 O ATOM 1288 CB ALA A 83 -13.412 4.048 -8.819 1.00 0.00 C ATOM 0 H ALA A 83 -12.052 3.701 -6.782 1.00 0.00 H new ATOM 0 HA ALA A 83 -12.917 6.072 -8.211 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -14.214 4.351 -9.492 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -12.491 3.916 -9.387 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -13.679 3.107 -8.337 1.00 0.00 H new ATOM 1294 N THR A 84 -15.477 5.940 -7.700 1.00 0.00 N ATOM 1295 CA THR A 84 -16.844 6.131 -7.226 1.00 0.00 C ATOM 1296 C THR A 84 -16.847 6.952 -5.910 1.00 0.00 C ATOM 1297 O THR A 84 -15.799 7.414 -5.450 1.00 0.00 O ATOM 1298 CB THR A 84 -17.539 4.741 -7.177 1.00 0.00 C ATOM 1299 OG1 THR A 84 -17.159 3.940 -8.292 1.00 0.00 O ATOM 1300 CG2 THR A 84 -19.067 4.815 -7.204 1.00 0.00 C ATOM 0 H THR A 84 -15.318 6.327 -8.630 1.00 0.00 H new ATOM 0 HA THR A 84 -17.442 6.738 -7.906 1.00 0.00 H new ATOM 0 HB THR A 84 -17.215 4.309 -6.230 1.00 0.00 H new ATOM 0 HG1 THR A 84 -17.607 3.070 -8.238 1.00 0.00 H new ATOM 0 HG21 THR A 84 -19.481 3.807 -7.167 1.00 0.00 H new ATOM 0 HG22 THR A 84 -19.419 5.384 -6.343 1.00 0.00 H new ATOM 0 HG23 THR A 84 -19.391 5.307 -8.121 1.00 0.00 H new ATOM 1308 N ARG A 85 -18.022 7.178 -5.305 1.00 0.00 N ATOM 1309 CA ARG A 85 -18.238 7.924 -4.057 1.00 0.00 C ATOM 1310 C ARG A 85 -17.396 9.204 -4.009 1.00 0.00 C ATOM 1311 O ARG A 85 -16.461 9.320 -3.208 1.00 0.00 O ATOM 1312 CB ARG A 85 -18.056 7.003 -2.828 1.00 0.00 C ATOM 1313 CG ARG A 85 -18.625 7.623 -1.534 1.00 0.00 C ATOM 1314 CD ARG A 85 -18.944 6.584 -0.449 1.00 0.00 C ATOM 1315 NE ARG A 85 -20.181 5.836 -0.749 1.00 0.00 N ATOM 1316 CZ ARG A 85 -20.749 4.911 0.033 1.00 0.00 C ATOM 1317 NH1 ARG A 85 -20.243 4.602 1.215 1.00 0.00 N ATOM 1318 NH2 ARG A 85 -21.848 4.277 -0.356 1.00 0.00 N ATOM 0 H ARG A 85 -18.896 6.825 -5.695 1.00 0.00 H new ATOM 0 HA ARG A 85 -19.273 8.265 -4.028 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -18.549 6.049 -3.017 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -16.996 6.792 -2.690 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -17.908 8.342 -1.138 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -19.532 8.177 -1.774 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -18.111 5.887 -0.358 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -19.047 7.085 0.514 1.00 0.00 H new ATOM 0 HE ARG A 85 -20.645 6.043 -1.633 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -19.402 5.073 1.548 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -20.694 3.893 1.793 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -22.269 4.493 -1.260 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -22.272 3.574 0.249 1.00 0.00 H new ATOM 1332 N GLY A 86 -17.720 10.156 -4.883 1.00 0.00 N ATOM 1333 CA GLY A 86 -17.047 11.438 -4.969 1.00 0.00 C ATOM 1334 C GLY A 86 -16.005 11.404 -6.075 1.00 0.00 C ATOM 1335 O GLY A 86 -14.885 10.932 -5.852 1.00 0.00 O ATOM 0 H GLY A 86 -18.474 10.049 -5.562 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -17.773 12.227 -5.166 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -16.571 11.673 -4.017 1.00 0.00 H new ATOM 1339 N SER A 87 -16.359 11.916 -7.254 1.00 0.00 N ATOM 1340 CA SER A 87 -15.427 12.140 -8.353 1.00 0.00 C ATOM 1341 C SER A 87 -15.125 13.634 -8.457 1.00 0.00 C ATOM 1342 O SER A 87 -14.024 14.040 -8.077 1.00 0.00 O ATOM 1343 CB SER A 87 -15.950 11.496 -9.637 1.00 0.00 C ATOM 1344 OG SER A 87 -15.891 10.089 -9.480 1.00 0.00 O ATOM 0 H SER A 87 -17.317 12.190 -7.473 1.00 0.00 H new ATOM 0 HA SER A 87 -14.472 11.649 -8.165 1.00 0.00 H new ATOM 0 HB2 SER A 87 -16.974 11.814 -9.833 1.00 0.00 H new ATOM 0 HB3 SER A 87 -15.350 11.809 -10.491 1.00 0.00 H new ATOM 0 HG SER A 87 -16.224 9.655 -10.293 1.00 0.00 H new ATOM 1350 N GLY A 88 -16.080 14.461 -8.883 1.00 0.00 N ATOM 1351 CA GLY A 88 -15.909 15.905 -8.954 1.00 0.00 C ATOM 1352 C GLY A 88 -17.001 16.538 -9.814 1.00 0.00 C ATOM 1353 O GLY A 88 -17.739 15.809 -10.488 1.00 0.00 O ATOM 0 H GLY A 88 -16.999 14.142 -9.190 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -15.938 16.329 -7.950 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -14.930 16.140 -9.371 1.00 0.00 H new ATOM 1357 N PRO A 89 -17.113 17.879 -9.815 1.00 0.00 N ATOM 1358 CA PRO A 89 -18.083 18.591 -10.629 1.00 0.00 C ATOM 1359 C PRO A 89 -17.773 18.300 -12.094 1.00 0.00 C ATOM 1360 O PRO A 89 -16.640 18.493 -12.537 1.00 0.00 O ATOM 1361 CB PRO A 89 -17.944 20.070 -10.259 1.00 0.00 C ATOM 1362 CG PRO A 89 -16.502 20.181 -9.767 1.00 0.00 C ATOM 1363 CD PRO A 89 -16.242 18.819 -9.128 1.00 0.00 C ATOM 0 HA PRO A 89 -19.115 18.285 -10.459 1.00 0.00 H new ATOM 0 HB2 PRO A 89 -18.126 20.717 -11.117 1.00 0.00 H new ATOM 0 HB3 PRO A 89 -18.655 20.359 -9.485 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -15.812 20.379 -10.587 1.00 0.00 H new ATOM 0 HG3 PRO A 89 -16.384 20.992 -9.048 1.00 0.00 H new ATOM 0 HD2 PRO A 89 -15.196 18.531 -9.235 1.00 0.00 H new ATOM 0 HD3 PRO A 89 -16.458 18.842 -8.060 1.00 0.00 H new ATOM 1371 N SER A 90 -18.748 17.763 -12.822 1.00 0.00 N ATOM 1372 CA SER A 90 -18.567 17.223 -14.158 1.00 0.00 C ATOM 1373 C SER A 90 -19.722 17.727 -15.020 1.00 0.00 C ATOM 1374 O SER A 90 -20.802 17.126 -15.029 1.00 0.00 O ATOM 1375 CB SER A 90 -18.510 15.692 -14.075 1.00 0.00 C ATOM 1376 OG SER A 90 -17.507 15.252 -13.170 1.00 0.00 O ATOM 0 H SER A 90 -19.709 17.691 -12.487 1.00 0.00 H new ATOM 0 HA SER A 90 -17.632 17.551 -14.612 1.00 0.00 H new ATOM 0 HB2 SER A 90 -19.480 15.308 -13.758 1.00 0.00 H new ATOM 0 HB3 SER A 90 -18.313 15.281 -15.065 1.00 0.00 H new ATOM 0 HG SER A 90 -17.764 15.491 -12.255 1.00 0.00 H new ATOM 1382 N SER A 91 -19.538 18.878 -15.670 1.00 0.00 N ATOM 1383 CA SER A 91 -20.580 19.562 -16.427 1.00 0.00 C ATOM 1384 C SER A 91 -19.933 20.490 -17.459 1.00 0.00 C ATOM 1385 O SER A 91 -18.818 20.959 -17.240 1.00 0.00 O ATOM 1386 CB SER A 91 -21.437 20.381 -15.440 1.00 0.00 C ATOM 1387 OG SER A 91 -22.820 20.122 -15.608 1.00 0.00 O ATOM 0 H SER A 91 -18.643 19.367 -15.683 1.00 0.00 H new ATOM 0 HA SER A 91 -21.208 18.841 -16.951 1.00 0.00 H new ATOM 0 HB2 SER A 91 -21.143 20.142 -14.418 1.00 0.00 H new ATOM 0 HB3 SER A 91 -21.245 21.444 -15.587 1.00 0.00 H new ATOM 0 HG SER A 91 -23.333 20.656 -14.966 1.00 0.00 H new ATOM 1393 N GLY A 92 -20.674 20.816 -18.520 1.00 0.00 N ATOM 1394 CA GLY A 92 -20.236 21.725 -19.568 1.00 0.00 C ATOM 1395 C GLY A 92 -19.500 20.975 -20.661 1.00 0.00 C ATOM 1396 O GLY A 92 -19.735 19.756 -20.853 1.00 0.00 O ATOM 0 H GLY A 92 -21.612 20.446 -18.673 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -21.098 22.240 -19.992 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -19.585 22.489 -19.144 1.00 0.00 H new TER 1400 GLY A 92