USER MOD reduce.3.24.130724 H: found=0, std=0, add=581, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 581 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 15 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 ASN : amide:sc= -0.176 X(o=-0.18,f=-0.18) USER MOD Single : A 30 THR OG1 : rot 27:sc= 1.03 USER MOD Single : A 31 ASN : amide:sc= 0 X(o=0,f=0.086) USER MOD Single : A 35 CYS SG : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 GLN : amide:sc= -1.6 K(o=-1.6,f=-3.3!) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 SER OG : rot 62:sc= 1.11 USER MOD Single : A 70 GLN : amide:sc= -0.161 K(o=-0.16,f=-2.2!) USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 SER OG : rot -90:sc= 0.513 USER MOD Single : A 79 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 MET CE :methyl -172:sc= 0 (180deg=-0.0555) USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 ASN : amide:sc= -0.0456 X(o=-0.046,f=-0.046) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 15 -2.229 7.744 11.623 1.00 0.00 N ATOM 2 CA MET A 15 -1.182 7.661 10.616 1.00 0.00 C ATOM 3 C MET A 15 -1.520 6.571 9.630 1.00 0.00 C ATOM 4 O MET A 15 -1.176 6.729 8.472 1.00 0.00 O ATOM 5 CB MET A 15 0.196 7.394 11.274 1.00 0.00 C ATOM 6 CG MET A 15 0.211 6.033 12.012 1.00 0.00 C ATOM 7 SD MET A 15 1.664 5.943 13.105 1.00 0.00 S ATOM 8 CE MET A 15 1.341 4.325 13.872 1.00 0.00 C ATOM 0 HA MET A 15 -1.120 8.614 10.090 1.00 0.00 H new ATOM 0 HB2 MET A 15 0.974 7.405 10.511 1.00 0.00 H new ATOM 0 HB3 MET A 15 0.427 8.194 11.977 1.00 0.00 H new ATOM 0 HG2 MET A 15 -0.702 5.915 12.595 1.00 0.00 H new ATOM 0 HG3 MET A 15 0.236 5.217 11.290 1.00 0.00 H new ATOM 0 HE1 MET A 15 2.135 4.094 14.582 1.00 0.00 H new ATOM 0 HE2 MET A 15 0.385 4.354 14.394 1.00 0.00 H new ATOM 0 HE3 MET A 15 1.309 3.556 13.100 1.00 0.00 H new ATOM 18 N ALA A 16 -2.203 5.473 10.035 1.00 0.00 N ATOM 19 CA ALA A 16 -2.601 4.474 9.049 1.00 0.00 C ATOM 20 C ALA A 16 -3.300 5.121 7.859 1.00 0.00 C ATOM 21 O ALA A 16 -2.946 4.719 6.762 1.00 0.00 O ATOM 22 CB ALA A 16 -3.448 3.317 9.644 1.00 0.00 C ATOM 0 H ALA A 16 -2.474 5.272 10.998 1.00 0.00 H new ATOM 0 HA ALA A 16 -1.677 4.014 8.697 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -3.708 2.613 8.854 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -2.872 2.803 10.414 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -4.360 3.722 10.083 1.00 0.00 H new ATOM 28 N PRO A 17 -4.249 6.089 7.959 1.00 0.00 N ATOM 29 CA PRO A 17 -4.848 6.636 6.743 1.00 0.00 C ATOM 30 C PRO A 17 -3.900 7.514 5.964 1.00 0.00 C ATOM 31 O PRO A 17 -3.893 7.424 4.746 1.00 0.00 O ATOM 32 CB PRO A 17 -6.043 7.418 7.329 1.00 0.00 C ATOM 33 CG PRO A 17 -5.639 7.796 8.768 1.00 0.00 C ATOM 34 CD PRO A 17 -4.769 6.599 9.226 1.00 0.00 C ATOM 0 HA PRO A 17 -5.127 5.881 6.008 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -6.255 8.308 6.737 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -6.947 6.809 7.325 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -5.081 8.732 8.795 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -6.511 7.927 9.409 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -3.969 6.911 9.898 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -5.356 5.849 9.756 1.00 0.00 H new ATOM 42 N ALA A 18 -3.084 8.363 6.629 1.00 0.00 N ATOM 43 CA ALA A 18 -2.116 9.158 5.880 1.00 0.00 C ATOM 44 C ALA A 18 -1.097 8.238 5.248 1.00 0.00 C ATOM 45 O ALA A 18 -0.572 8.568 4.196 1.00 0.00 O ATOM 46 CB ALA A 18 -1.346 10.122 6.818 1.00 0.00 C ATOM 0 H ALA A 18 -3.081 8.505 7.639 1.00 0.00 H new ATOM 0 HA ALA A 18 -2.661 9.729 5.128 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -0.631 10.703 6.235 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -2.051 10.796 7.304 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -0.814 9.546 7.575 1.00 0.00 H new ATOM 52 N LEU A 19 -0.794 7.091 5.902 1.00 0.00 N ATOM 53 CA LEU A 19 0.295 6.240 5.441 1.00 0.00 C ATOM 54 C LEU A 19 -0.262 5.489 4.257 1.00 0.00 C ATOM 55 O LEU A 19 0.185 5.817 3.171 1.00 0.00 O ATOM 56 CB LEU A 19 0.882 5.462 6.656 1.00 0.00 C ATOM 57 CG LEU A 19 2.258 4.756 6.474 1.00 0.00 C ATOM 58 CD1 LEU A 19 2.125 3.360 5.827 1.00 0.00 C ATOM 59 CD2 LEU A 19 3.300 5.590 5.683 1.00 0.00 C ATOM 0 H LEU A 19 -1.284 6.752 6.730 1.00 0.00 H new ATOM 0 HA LEU A 19 1.188 6.739 5.065 1.00 0.00 H new ATOM 0 HB2 LEU A 19 0.972 6.160 7.488 1.00 0.00 H new ATOM 0 HB3 LEU A 19 0.155 4.706 6.952 1.00 0.00 H new ATOM 0 HG LEU A 19 2.632 4.647 7.492 1.00 0.00 H new ATOM 0 HD11 LEU A 19 3.113 2.912 5.723 1.00 0.00 H new ATOM 0 HD12 LEU A 19 1.503 2.725 6.457 1.00 0.00 H new ATOM 0 HD13 LEU A 19 1.665 3.457 4.844 1.00 0.00 H new ATOM 0 HD21 LEU A 19 4.230 5.027 5.601 1.00 0.00 H new ATOM 0 HD22 LEU A 19 2.915 5.802 4.686 1.00 0.00 H new ATOM 0 HD23 LEU A 19 3.488 6.528 6.206 1.00 0.00 H new ATOM 71 N VAL A 20 -1.249 4.564 4.380 1.00 0.00 N ATOM 72 CA VAL A 20 -1.829 3.943 3.176 1.00 0.00 C ATOM 73 C VAL A 20 -2.018 4.968 2.069 1.00 0.00 C ATOM 74 O VAL A 20 -1.858 4.622 0.908 1.00 0.00 O ATOM 75 CB VAL A 20 -3.162 3.173 3.433 1.00 0.00 C ATOM 76 CG1 VAL A 20 -4.311 4.157 3.764 1.00 0.00 C ATOM 77 CG2 VAL A 20 -3.579 2.271 2.232 1.00 0.00 C ATOM 0 H VAL A 20 -1.642 4.246 5.266 1.00 0.00 H new ATOM 0 HA VAL A 20 -1.102 3.194 2.861 1.00 0.00 H new ATOM 0 HB VAL A 20 -2.978 2.522 4.287 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -5.230 3.598 3.939 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -4.056 4.726 4.658 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -4.456 4.841 2.928 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -4.513 1.760 2.468 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -3.717 2.888 1.344 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -2.799 1.533 2.043 1.00 0.00 H new ATOM 87 N ALA A 21 -2.345 6.244 2.407 1.00 0.00 N ATOM 88 CA ALA A 21 -2.494 7.256 1.365 1.00 0.00 C ATOM 89 C ALA A 21 -1.166 7.604 0.711 1.00 0.00 C ATOM 90 O ALA A 21 -1.144 7.808 -0.493 1.00 0.00 O ATOM 91 CB ALA A 21 -3.177 8.557 1.863 1.00 0.00 C ATOM 0 H ALA A 21 -2.502 6.573 3.360 1.00 0.00 H new ATOM 0 HA ALA A 21 -3.149 6.797 0.625 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -3.256 9.265 1.038 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -4.174 8.324 2.238 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -2.582 8.997 2.663 1.00 0.00 H new ATOM 97 N ALA A 22 -0.049 7.668 1.479 1.00 0.00 N ATOM 98 CA ALA A 22 1.273 7.972 0.908 1.00 0.00 C ATOM 99 C ALA A 22 1.675 7.171 -0.322 1.00 0.00 C ATOM 100 O ALA A 22 2.606 7.603 -0.986 1.00 0.00 O ATOM 101 CB ALA A 22 2.388 7.752 1.967 1.00 0.00 C ATOM 0 H ALA A 22 -0.044 7.513 2.487 1.00 0.00 H new ATOM 0 HA ALA A 22 1.173 9.012 0.597 1.00 0.00 H new ATOM 0 HB1 ALA A 22 3.358 7.982 1.527 1.00 0.00 H new ATOM 0 HB2 ALA A 22 2.213 8.406 2.821 1.00 0.00 H new ATOM 0 HB3 ALA A 22 2.376 6.713 2.297 1.00 0.00 H new ATOM 107 N PHE A 23 1.023 6.027 -0.647 1.00 0.00 N ATOM 108 CA PHE A 23 1.364 5.272 -1.866 1.00 0.00 C ATOM 109 C PHE A 23 0.098 4.709 -2.490 1.00 0.00 C ATOM 110 O PHE A 23 -0.132 4.962 -3.663 1.00 0.00 O ATOM 111 CB PHE A 23 2.441 4.211 -1.519 1.00 0.00 C ATOM 112 CG PHE A 23 3.346 3.636 -2.623 1.00 0.00 C ATOM 113 CD1 PHE A 23 3.889 4.433 -3.643 1.00 0.00 C ATOM 114 CD2 PHE A 23 3.666 2.275 -2.578 1.00 0.00 C ATOM 115 CE1 PHE A 23 4.749 3.868 -4.595 1.00 0.00 C ATOM 116 CE2 PHE A 23 4.520 1.709 -3.521 1.00 0.00 C ATOM 117 CZ PHE A 23 5.047 2.501 -4.545 1.00 0.00 C ATOM 0 H PHE A 23 0.273 5.618 -0.090 1.00 0.00 H new ATOM 0 HA PHE A 23 1.804 5.917 -2.627 1.00 0.00 H new ATOM 0 HB2 PHE A 23 3.092 4.648 -0.762 1.00 0.00 H new ATOM 0 HB3 PHE A 23 1.928 3.371 -1.052 1.00 0.00 H new ATOM 0 HD1 PHE A 23 3.644 5.484 -3.694 1.00 0.00 H new ATOM 0 HD2 PHE A 23 3.245 1.654 -1.801 1.00 0.00 H new ATOM 0 HE1 PHE A 23 5.182 4.487 -5.367 1.00 0.00 H new ATOM 0 HE2 PHE A 23 4.774 0.661 -3.461 1.00 0.00 H new ATOM 0 HZ PHE A 23 5.684 2.059 -5.297 1.00 0.00 H new ATOM 127 N GLY A 24 -0.756 3.971 -1.735 1.00 0.00 N ATOM 128 CA GLY A 24 -2.058 3.580 -2.275 1.00 0.00 C ATOM 129 C GLY A 24 -2.987 4.749 -2.530 1.00 0.00 C ATOM 130 O GLY A 24 -3.913 4.566 -3.307 1.00 0.00 O ATOM 0 H GLY A 24 -0.565 3.650 -0.786 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -1.906 3.037 -3.208 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -2.538 2.891 -1.580 1.00 0.00 H new ATOM 134 N GLY A 25 -2.774 5.936 -1.907 1.00 0.00 N ATOM 135 CA GLY A 25 -3.607 7.106 -2.210 1.00 0.00 C ATOM 136 C GLY A 25 -2.892 8.074 -3.118 1.00 0.00 C ATOM 137 O GLY A 25 -3.321 9.216 -3.195 1.00 0.00 O ATOM 0 H GLY A 25 -2.048 6.097 -1.209 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -4.535 6.781 -2.681 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -3.880 7.609 -1.283 1.00 0.00 H new ATOM 141 N LYS A 26 -1.824 7.633 -3.825 1.00 0.00 N ATOM 142 CA LYS A 26 -1.190 8.496 -4.813 1.00 0.00 C ATOM 143 C LYS A 26 -1.835 8.103 -6.123 1.00 0.00 C ATOM 144 O LYS A 26 -1.124 7.727 -7.037 1.00 0.00 O ATOM 145 CB LYS A 26 0.343 8.246 -4.800 1.00 0.00 C ATOM 146 CG LYS A 26 1.000 8.509 -3.418 1.00 0.00 C ATOM 147 CD LYS A 26 1.042 10.013 -3.019 1.00 0.00 C ATOM 148 CE LYS A 26 2.486 10.520 -2.734 1.00 0.00 C ATOM 149 NZ LYS A 26 2.525 11.999 -2.697 1.00 0.00 N ATOM 0 H LYS A 26 -1.403 6.709 -3.725 1.00 0.00 H new ATOM 0 HA LYS A 26 -1.322 9.561 -4.624 1.00 0.00 H new ATOM 0 HB2 LYS A 26 0.538 7.215 -5.096 1.00 0.00 H new ATOM 0 HB3 LYS A 26 0.814 8.886 -5.546 1.00 0.00 H new ATOM 0 HG2 LYS A 26 0.453 7.955 -2.655 1.00 0.00 H new ATOM 0 HG3 LYS A 26 2.017 8.117 -3.429 1.00 0.00 H new ATOM 0 HD2 LYS A 26 0.604 10.609 -3.819 1.00 0.00 H new ATOM 0 HD3 LYS A 26 0.426 10.167 -2.133 1.00 0.00 H new ATOM 0 HE2 LYS A 26 2.836 10.118 -1.783 1.00 0.00 H new ATOM 0 HE3 LYS A 26 3.164 10.153 -3.504 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 3.497 12.316 -2.506 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 2.211 12.378 -3.613 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 1.894 12.344 -1.946 1.00 0.00 H new ATOM 163 N GLU A 27 -3.185 8.155 -6.243 1.00 0.00 N ATOM 164 CA GLU A 27 -3.835 7.571 -7.424 1.00 0.00 C ATOM 165 C GLU A 27 -3.210 8.059 -8.717 1.00 0.00 C ATOM 166 O GLU A 27 -3.262 7.345 -9.707 1.00 0.00 O ATOM 167 CB GLU A 27 -5.379 7.771 -7.429 1.00 0.00 C ATOM 168 CG GLU A 27 -5.797 9.146 -8.017 1.00 0.00 C ATOM 169 CD GLU A 27 -7.276 9.422 -7.878 1.00 0.00 C ATOM 170 OE1 GLU A 27 -7.919 8.851 -6.955 1.00 0.00 O ATOM 171 OE2 GLU A 27 -7.815 10.222 -8.693 1.00 0.00 O ATOM 0 H GLU A 27 -3.816 8.579 -5.563 1.00 0.00 H new ATOM 0 HA GLU A 27 -3.661 6.497 -7.358 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -5.844 6.974 -8.010 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -5.757 7.685 -6.410 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -5.237 9.935 -7.515 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -5.524 9.182 -9.072 1.00 0.00 H new ATOM 178 N ASN A 28 -2.591 9.266 -8.709 1.00 0.00 N ATOM 179 CA ASN A 28 -1.857 9.755 -9.882 1.00 0.00 C ATOM 180 C ASN A 28 -0.841 8.768 -10.444 1.00 0.00 C ATOM 181 O ASN A 28 -0.414 8.957 -11.573 1.00 0.00 O ATOM 182 CB ASN A 28 -1.126 11.074 -9.498 1.00 0.00 C ATOM 183 CG ASN A 28 -0.441 11.725 -10.677 1.00 0.00 C ATOM 184 OD1 ASN A 28 0.778 11.784 -10.695 1.00 0.00 O ATOM 185 ND2 ASN A 28 -1.207 12.223 -11.675 1.00 0.00 N ATOM 0 H ASN A 28 -2.590 9.903 -7.912 1.00 0.00 H new ATOM 0 HA ASN A 28 -2.596 9.910 -10.668 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -1.845 11.772 -9.070 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -0.387 10.863 -8.725 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -0.768 12.668 -12.481 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -2.223 12.153 -11.621 1.00 0.00 H new ATOM 192 N ILE A 29 -0.441 7.721 -9.685 1.00 0.00 N ATOM 193 CA ILE A 29 0.534 6.730 -10.154 1.00 0.00 C ATOM 194 C ILE A 29 0.333 6.239 -11.580 1.00 0.00 C ATOM 195 O ILE A 29 -0.794 6.221 -12.052 1.00 0.00 O ATOM 196 CB ILE A 29 0.505 5.509 -9.175 1.00 0.00 C ATOM 197 CG1 ILE A 29 1.054 5.788 -7.735 1.00 0.00 C ATOM 198 CG2 ILE A 29 1.131 4.223 -9.780 1.00 0.00 C ATOM 199 CD1 ILE A 29 1.987 7.016 -7.589 1.00 0.00 C ATOM 0 H ILE A 29 -0.786 7.547 -8.741 1.00 0.00 H new ATOM 0 HA ILE A 29 1.499 7.236 -10.163 1.00 0.00 H new ATOM 0 HB ILE A 29 -0.562 5.329 -9.043 1.00 0.00 H new ATOM 0 HG12 ILE A 29 0.205 5.920 -7.064 1.00 0.00 H new ATOM 0 HG13 ILE A 29 1.594 4.904 -7.396 1.00 0.00 H new ATOM 0 HG21 ILE A 29 1.079 3.415 -9.050 1.00 0.00 H new ATOM 0 HG22 ILE A 29 0.581 3.938 -10.677 1.00 0.00 H new ATOM 0 HG23 ILE A 29 2.173 4.412 -10.038 1.00 0.00 H new ATOM 0 HD11 ILE A 29 2.305 7.110 -6.551 1.00 0.00 H new ATOM 0 HD12 ILE A 29 2.862 6.886 -8.226 1.00 0.00 H new ATOM 0 HD13 ILE A 29 1.452 7.917 -7.888 1.00 0.00 H new ATOM 211 N THR A 30 1.441 5.818 -12.253 1.00 0.00 N ATOM 212 CA THR A 30 1.351 5.266 -13.606 1.00 0.00 C ATOM 213 C THR A 30 0.557 3.964 -13.651 1.00 0.00 C ATOM 214 O THR A 30 -0.406 3.939 -14.404 1.00 0.00 O ATOM 215 CB THR A 30 2.770 5.192 -14.255 1.00 0.00 C ATOM 216 OG1 THR A 30 3.742 4.601 -13.375 1.00 0.00 O ATOM 217 CG2 THR A 30 3.310 6.614 -14.569 1.00 0.00 C ATOM 0 H THR A 30 2.387 5.856 -11.874 1.00 0.00 H new ATOM 0 HA THR A 30 0.768 5.945 -14.228 1.00 0.00 H new ATOM 0 HB THR A 30 2.644 4.590 -15.155 1.00 0.00 H new ATOM 0 HG1 THR A 30 3.293 3.989 -12.755 1.00 0.00 H new ATOM 0 HG21 THR A 30 4.299 6.536 -15.020 1.00 0.00 H new ATOM 0 HG22 THR A 30 2.634 7.115 -15.261 1.00 0.00 H new ATOM 0 HG23 THR A 30 3.377 7.190 -13.646 1.00 0.00 H new ATOM 225 N ASN A 31 0.893 2.889 -12.886 1.00 0.00 N ATOM 226 CA ASN A 31 0.083 1.660 -12.896 1.00 0.00 C ATOM 227 C ASN A 31 -0.153 1.119 -11.488 1.00 0.00 C ATOM 228 O ASN A 31 0.761 1.185 -10.682 1.00 0.00 O ATOM 229 CB ASN A 31 0.766 0.576 -13.786 1.00 0.00 C ATOM 230 CG ASN A 31 0.158 0.419 -15.162 1.00 0.00 C ATOM 231 OD1 ASN A 31 -0.056 1.425 -15.822 1.00 0.00 O ATOM 232 ND2 ASN A 31 -0.116 -0.820 -15.634 1.00 0.00 N ATOM 0 H ASN A 31 1.705 2.857 -12.269 1.00 0.00 H new ATOM 0 HA ASN A 31 -0.891 1.911 -13.315 1.00 0.00 H new ATOM 0 HB2 ASN A 31 1.821 0.826 -13.895 1.00 0.00 H new ATOM 0 HB3 ASN A 31 0.718 -0.383 -13.270 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -0.513 -0.934 -16.567 1.00 0.00 H new ATOM 0 HD22 ASN A 31 0.075 -1.639 -15.057 1.00 0.00 H new ATOM 239 N LEU A 32 -1.365 0.570 -11.199 1.00 0.00 N ATOM 240 CA LEU A 32 -1.666 -0.115 -9.930 1.00 0.00 C ATOM 241 C LEU A 32 -2.138 -1.499 -10.341 1.00 0.00 C ATOM 242 O LEU A 32 -2.736 -1.590 -11.403 1.00 0.00 O ATOM 243 CB LEU A 32 -2.860 0.542 -9.158 1.00 0.00 C ATOM 244 CG LEU A 32 -2.566 1.660 -8.106 1.00 0.00 C ATOM 245 CD1 LEU A 32 -2.306 1.115 -6.672 1.00 0.00 C ATOM 246 CD2 LEU A 32 -1.401 2.575 -8.545 1.00 0.00 C ATOM 0 H LEU A 32 -2.154 0.595 -11.845 1.00 0.00 H new ATOM 0 HA LEU A 32 -0.788 -0.088 -9.284 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -3.540 0.961 -9.900 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -3.399 -0.256 -8.647 1.00 0.00 H new ATOM 0 HG LEU A 32 -3.481 2.251 -8.062 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -2.109 1.948 -5.996 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -3.182 0.567 -6.327 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -1.444 0.448 -6.687 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -1.231 3.337 -7.785 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -0.497 1.979 -8.670 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -1.652 3.055 -9.491 1.00 0.00 H new ATOM 258 N ASP A 33 -1.915 -2.570 -9.538 1.00 0.00 N ATOM 259 CA ASP A 33 -2.488 -3.887 -9.854 1.00 0.00 C ATOM 260 C ASP A 33 -3.246 -4.359 -8.628 1.00 0.00 C ATOM 261 O ASP A 33 -2.981 -5.441 -8.126 1.00 0.00 O ATOM 262 CB ASP A 33 -1.421 -4.935 -10.273 1.00 0.00 C ATOM 263 CG ASP A 33 -0.449 -4.485 -11.340 1.00 0.00 C ATOM 264 OD1 ASP A 33 -0.111 -3.272 -11.385 1.00 0.00 O ATOM 265 OD2 ASP A 33 0.002 -5.349 -12.142 1.00 0.00 O ATOM 0 H ASP A 33 -1.354 -2.542 -8.687 1.00 0.00 H new ATOM 0 HA ASP A 33 -3.148 -3.784 -10.716 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -0.854 -5.224 -9.388 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -1.935 -5.829 -10.628 1.00 0.00 H new ATOM 270 N ALA A 34 -4.207 -3.546 -8.132 1.00 0.00 N ATOM 271 CA ALA A 34 -4.906 -3.921 -6.906 1.00 0.00 C ATOM 272 C ALA A 34 -5.624 -5.239 -7.084 1.00 0.00 C ATOM 273 O ALA A 34 -6.204 -5.432 -8.142 1.00 0.00 O ATOM 274 CB ALA A 34 -5.861 -2.815 -6.395 1.00 0.00 C ATOM 0 H ALA A 34 -4.500 -2.663 -8.550 1.00 0.00 H new ATOM 0 HA ALA A 34 -4.149 -4.044 -6.132 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -6.352 -3.151 -5.482 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -5.291 -1.909 -6.188 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -6.614 -2.605 -7.155 1.00 0.00 H new ATOM 280 N CYS A 35 -5.588 -6.153 -6.079 1.00 0.00 N ATOM 281 CA CYS A 35 -6.225 -7.462 -6.248 1.00 0.00 C ATOM 282 C CYS A 35 -6.431 -8.158 -4.910 1.00 0.00 C ATOM 283 O CYS A 35 -5.802 -7.729 -3.955 1.00 0.00 O ATOM 284 CB CYS A 35 -5.346 -8.337 -7.184 1.00 0.00 C ATOM 285 SG CYS A 35 -6.325 -9.620 -8.024 1.00 0.00 S ATOM 0 H CYS A 35 -5.137 -6.005 -5.176 1.00 0.00 H new ATOM 0 HA CYS A 35 -7.209 -7.317 -6.694 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -4.864 -7.703 -7.928 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -4.553 -8.807 -6.603 1.00 0.00 H new ATOM 0 HG CYS A 35 -5.549 -10.323 -8.795 1.00 0.00 H new ATOM 290 N ILE A 36 -7.290 -9.209 -4.841 1.00 0.00 N ATOM 291 CA ILE A 36 -7.563 -9.938 -3.593 1.00 0.00 C ATOM 292 C ILE A 36 -6.746 -9.511 -2.376 1.00 0.00 C ATOM 293 O ILE A 36 -7.147 -8.568 -1.706 1.00 0.00 O ATOM 294 CB ILE A 36 -7.647 -11.497 -3.797 1.00 0.00 C ATOM 295 CG1 ILE A 36 -6.846 -12.073 -5.014 1.00 0.00 C ATOM 296 CG2 ILE A 36 -9.130 -11.947 -3.946 1.00 0.00 C ATOM 297 CD1 ILE A 36 -5.317 -11.807 -5.052 1.00 0.00 C ATOM 0 H ILE A 36 -7.804 -9.565 -5.647 1.00 0.00 H new ATOM 0 HA ILE A 36 -8.568 -9.615 -3.321 1.00 0.00 H new ATOM 0 HB ILE A 36 -7.178 -11.900 -2.899 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -7.001 -13.152 -5.039 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -7.282 -11.667 -5.927 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -9.170 -13.027 -4.086 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -9.684 -11.677 -3.047 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -9.575 -11.452 -4.809 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -4.891 -12.261 -5.947 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -5.135 -10.732 -5.069 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -4.850 -12.240 -4.168 1.00 0.00 H new ATOM 309 N THR A 37 -5.608 -10.186 -2.079 1.00 0.00 N ATOM 310 CA THR A 37 -4.729 -9.797 -0.979 1.00 0.00 C ATOM 311 C THR A 37 -3.392 -9.406 -1.577 1.00 0.00 C ATOM 312 O THR A 37 -2.378 -9.567 -0.917 1.00 0.00 O ATOM 313 CB THR A 37 -4.601 -10.991 0.011 1.00 0.00 C ATOM 314 OG1 THR A 37 -3.979 -12.147 -0.567 1.00 0.00 O ATOM 315 CG2 THR A 37 -5.984 -11.356 0.613 1.00 0.00 C ATOM 0 H THR A 37 -5.288 -11.005 -2.596 1.00 0.00 H new ATOM 0 HA THR A 37 -5.125 -8.949 -0.420 1.00 0.00 H new ATOM 0 HB THR A 37 -3.939 -10.655 0.809 1.00 0.00 H new ATOM 0 HG1 THR A 37 -3.926 -12.860 0.103 1.00 0.00 H new ATOM 0 HG21 THR A 37 -5.871 -12.193 1.302 1.00 0.00 H new ATOM 0 HG22 THR A 37 -6.386 -10.496 1.149 1.00 0.00 H new ATOM 0 HG23 THR A 37 -6.667 -11.636 -0.189 1.00 0.00 H new ATOM 323 N ARG A 38 -3.386 -8.890 -2.833 1.00 0.00 N ATOM 324 CA ARG A 38 -2.150 -8.554 -3.533 1.00 0.00 C ATOM 325 C ARG A 38 -2.378 -7.231 -4.224 1.00 0.00 C ATOM 326 O ARG A 38 -3.360 -7.139 -4.943 1.00 0.00 O ATOM 327 CB ARG A 38 -1.812 -9.619 -4.615 1.00 0.00 C ATOM 328 CG ARG A 38 -0.501 -9.279 -5.391 1.00 0.00 C ATOM 329 CD ARG A 38 -0.627 -9.276 -6.942 1.00 0.00 C ATOM 330 NE ARG A 38 -0.739 -10.638 -7.476 1.00 0.00 N ATOM 331 CZ ARG A 38 -0.532 -10.950 -8.740 1.00 0.00 C ATOM 332 NH1 ARG A 38 -0.301 -10.051 -9.670 1.00 0.00 N ATOM 333 NH2 ARG A 38 -0.555 -12.218 -9.085 1.00 0.00 N ATOM 0 H ARG A 38 -4.233 -8.703 -3.370 1.00 0.00 H new ATOM 0 HA ARG A 38 -1.325 -8.513 -2.821 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -1.708 -10.595 -4.141 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -2.640 -9.693 -5.320 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -0.152 -8.298 -5.070 1.00 0.00 H new ATOM 0 HG3 ARG A 38 0.267 -9.999 -5.107 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -1.502 -8.696 -7.236 1.00 0.00 H new ATOM 0 HD3 ARG A 38 0.243 -8.784 -7.378 1.00 0.00 H new ATOM 0 HE ARG A 38 -0.992 -11.387 -6.832 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -0.276 -9.061 -9.427 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -0.147 -10.343 -10.635 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -0.730 -12.935 -8.381 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -0.398 -12.485 -10.057 1.00 0.00 H new ATOM 347 N LEU A 39 -1.507 -6.213 -4.034 1.00 0.00 N ATOM 348 CA LEU A 39 -1.663 -4.960 -4.762 1.00 0.00 C ATOM 349 C LEU A 39 -0.318 -4.644 -5.350 1.00 0.00 C ATOM 350 O LEU A 39 0.622 -5.389 -5.135 1.00 0.00 O ATOM 351 CB LEU A 39 -2.461 -3.887 -3.939 1.00 0.00 C ATOM 352 CG LEU A 39 -1.812 -3.255 -2.665 1.00 0.00 C ATOM 353 CD1 LEU A 39 -1.029 -1.954 -3.013 1.00 0.00 C ATOM 354 CD2 LEU A 39 -2.900 -2.865 -1.617 1.00 0.00 C ATOM 0 H LEU A 39 -0.712 -6.244 -3.396 1.00 0.00 H new ATOM 0 HA LEU A 39 -2.334 -5.006 -5.620 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -2.708 -3.071 -4.619 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -3.403 -4.343 -3.634 1.00 0.00 H new ATOM 0 HG LEU A 39 -1.137 -4.009 -2.259 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -0.590 -1.540 -2.105 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -0.238 -2.185 -3.726 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -1.711 -1.225 -3.452 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -2.421 -2.428 -0.741 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -3.585 -2.140 -2.056 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -3.455 -3.755 -1.321 1.00 0.00 H new ATOM 366 N ARG A 40 -0.173 -3.573 -6.139 1.00 0.00 N ATOM 367 CA ARG A 40 1.141 -3.280 -6.713 1.00 0.00 C ATOM 368 C ARG A 40 1.136 -1.817 -7.040 1.00 0.00 C ATOM 369 O ARG A 40 0.040 -1.308 -7.195 1.00 0.00 O ATOM 370 CB ARG A 40 1.483 -4.029 -8.033 1.00 0.00 C ATOM 371 CG ARG A 40 1.447 -5.585 -7.981 1.00 0.00 C ATOM 372 CD ARG A 40 1.878 -6.203 -9.356 1.00 0.00 C ATOM 373 NE ARG A 40 2.920 -7.236 -9.266 1.00 0.00 N ATOM 374 CZ ARG A 40 3.524 -7.754 -10.317 1.00 0.00 C ATOM 375 NH1 ARG A 40 3.196 -7.438 -11.549 1.00 0.00 N ATOM 376 NH2 ARG A 40 4.495 -8.623 -10.135 1.00 0.00 N ATOM 0 H ARG A 40 -0.917 -2.920 -6.386 1.00 0.00 H new ATOM 0 HA ARG A 40 1.882 -3.600 -5.980 1.00 0.00 H new ATOM 0 HB2 ARG A 40 0.786 -3.698 -8.803 1.00 0.00 H new ATOM 0 HB3 ARG A 40 2.479 -3.722 -8.351 1.00 0.00 H new ATOM 0 HG2 ARG A 40 2.111 -5.942 -7.194 1.00 0.00 H new ATOM 0 HG3 ARG A 40 0.442 -5.921 -7.726 1.00 0.00 H new ATOM 0 HD2 ARG A 40 0.999 -6.633 -9.837 1.00 0.00 H new ATOM 0 HD3 ARG A 40 2.235 -5.402 -10.003 1.00 0.00 H new ATOM 0 HE ARG A 40 3.190 -7.570 -8.341 1.00 0.00 H new ATOM 0 HH11 ARG A 40 2.447 -6.767 -11.721 1.00 0.00 H new ATOM 0 HH12 ARG A 40 3.690 -7.863 -12.333 1.00 0.00 H new ATOM 0 HH21 ARG A 40 4.772 -8.888 -9.190 1.00 0.00 H new ATOM 0 HH22 ARG A 40 4.971 -9.032 -10.939 1.00 0.00 H new ATOM 390 N VAL A 41 2.300 -1.136 -7.137 1.00 0.00 N ATOM 391 CA VAL A 41 2.252 0.307 -7.308 1.00 0.00 C ATOM 392 C VAL A 41 3.348 0.696 -8.278 1.00 0.00 C ATOM 393 O VAL A 41 4.372 1.202 -7.855 1.00 0.00 O ATOM 394 CB VAL A 41 2.365 0.923 -5.881 1.00 0.00 C ATOM 395 CG1 VAL A 41 1.859 2.389 -5.893 1.00 0.00 C ATOM 396 CG2 VAL A 41 1.621 0.140 -4.761 1.00 0.00 C ATOM 0 H VAL A 41 3.232 -1.548 -7.101 1.00 0.00 H new ATOM 0 HA VAL A 41 1.328 0.686 -7.745 1.00 0.00 H new ATOM 0 HB VAL A 41 3.425 0.866 -5.635 1.00 0.00 H new ATOM 0 HG11 VAL A 41 1.942 2.811 -4.891 1.00 0.00 H new ATOM 0 HG12 VAL A 41 2.462 2.976 -6.585 1.00 0.00 H new ATOM 0 HG13 VAL A 41 0.817 2.412 -6.211 1.00 0.00 H new ATOM 0 HG21 VAL A 41 1.760 0.649 -3.807 1.00 0.00 H new ATOM 0 HG22 VAL A 41 0.557 0.093 -4.995 1.00 0.00 H new ATOM 0 HG23 VAL A 41 2.023 -0.871 -4.695 1.00 0.00 H new ATOM 406 N SER A 42 3.167 0.451 -9.596 1.00 0.00 N ATOM 407 CA SER A 42 4.245 0.723 -10.556 1.00 0.00 C ATOM 408 C SER A 42 4.445 2.209 -10.784 1.00 0.00 C ATOM 409 O SER A 42 3.564 2.828 -11.359 1.00 0.00 O ATOM 410 CB SER A 42 4.012 -0.035 -11.885 1.00 0.00 C ATOM 411 OG SER A 42 4.848 0.511 -12.921 1.00 0.00 O ATOM 0 H SER A 42 2.310 0.077 -10.004 1.00 0.00 H new ATOM 0 HA SER A 42 5.170 0.348 -10.119 1.00 0.00 H new ATOM 0 HB2 SER A 42 4.231 -1.094 -11.751 1.00 0.00 H new ATOM 0 HB3 SER A 42 2.964 0.040 -12.176 1.00 0.00 H new ATOM 0 HG SER A 42 4.694 0.023 -13.757 1.00 0.00 H new ATOM 417 N VAL A 43 5.593 2.785 -10.331 1.00 0.00 N ATOM 418 CA VAL A 43 5.807 4.232 -10.405 1.00 0.00 C ATOM 419 C VAL A 43 7.273 4.560 -10.196 1.00 0.00 C ATOM 420 O VAL A 43 7.928 3.808 -9.491 1.00 0.00 O ATOM 421 CB VAL A 43 4.943 4.991 -9.342 1.00 0.00 C ATOM 422 CG1 VAL A 43 4.402 4.034 -8.252 1.00 0.00 C ATOM 423 CG2 VAL A 43 5.684 6.108 -8.567 1.00 0.00 C ATOM 0 H VAL A 43 6.367 2.265 -9.918 1.00 0.00 H new ATOM 0 HA VAL A 43 5.499 4.561 -11.398 1.00 0.00 H new ATOM 0 HB VAL A 43 4.154 5.433 -9.951 1.00 0.00 H new ATOM 0 HG11 VAL A 43 3.808 4.599 -7.534 1.00 0.00 H new ATOM 0 HG12 VAL A 43 3.779 3.269 -8.716 1.00 0.00 H new ATOM 0 HG13 VAL A 43 5.237 3.559 -7.738 1.00 0.00 H new ATOM 0 HG21 VAL A 43 5.001 6.572 -7.856 1.00 0.00 H new ATOM 0 HG22 VAL A 43 6.530 5.679 -8.030 1.00 0.00 H new ATOM 0 HG23 VAL A 43 6.044 6.860 -9.269 1.00 0.00 H new ATOM 433 N ALA A 44 7.778 5.682 -10.770 1.00 0.00 N ATOM 434 CA ALA A 44 9.114 6.180 -10.439 1.00 0.00 C ATOM 435 C ALA A 44 8.940 7.391 -9.540 1.00 0.00 C ATOM 436 O ALA A 44 9.139 8.510 -9.987 1.00 0.00 O ATOM 437 CB ALA A 44 9.874 6.510 -11.750 1.00 0.00 C ATOM 0 H ALA A 44 7.276 6.246 -11.456 1.00 0.00 H new ATOM 0 HA ALA A 44 9.709 5.437 -9.908 1.00 0.00 H new ATOM 0 HB1 ALA A 44 10.870 6.882 -11.509 1.00 0.00 H new ATOM 0 HB2 ALA A 44 9.960 5.609 -12.358 1.00 0.00 H new ATOM 0 HB3 ALA A 44 9.327 7.272 -12.306 1.00 0.00 H new ATOM 443 N ASP A 45 8.572 7.157 -8.257 1.00 0.00 N ATOM 444 CA ASP A 45 8.488 8.224 -7.251 1.00 0.00 C ATOM 445 C ASP A 45 9.290 7.691 -6.087 1.00 0.00 C ATOM 446 O ASP A 45 8.850 7.713 -4.948 1.00 0.00 O ATOM 447 CB ASP A 45 7.069 8.647 -6.779 1.00 0.00 C ATOM 448 CG ASP A 45 6.292 9.439 -7.801 1.00 0.00 C ATOM 449 OD1 ASP A 45 6.466 9.199 -9.025 1.00 0.00 O ATOM 450 OD2 ASP A 45 5.494 10.323 -7.381 1.00 0.00 O ATOM 0 H ASP A 45 8.329 6.232 -7.901 1.00 0.00 H new ATOM 0 HA ASP A 45 8.860 9.147 -7.696 1.00 0.00 H new ATOM 0 HB2 ASP A 45 6.502 7.753 -6.520 1.00 0.00 H new ATOM 0 HB3 ASP A 45 7.162 9.240 -5.869 1.00 0.00 H new ATOM 455 N VAL A 46 10.509 7.204 -6.409 1.00 0.00 N ATOM 456 CA VAL A 46 11.435 6.773 -5.368 1.00 0.00 C ATOM 457 C VAL A 46 12.128 7.986 -4.779 1.00 0.00 C ATOM 458 O VAL A 46 12.967 7.804 -3.912 1.00 0.00 O ATOM 459 CB VAL A 46 12.372 5.659 -5.930 1.00 0.00 C ATOM 460 CG1 VAL A 46 13.496 6.235 -6.833 1.00 0.00 C ATOM 461 CG2 VAL A 46 12.985 4.781 -4.803 1.00 0.00 C ATOM 0 H VAL A 46 10.858 7.105 -7.362 1.00 0.00 H new ATOM 0 HA VAL A 46 10.918 6.306 -4.530 1.00 0.00 H new ATOM 0 HB VAL A 46 11.738 5.022 -6.547 1.00 0.00 H new ATOM 0 HG11 VAL A 46 14.121 5.421 -7.200 1.00 0.00 H new ATOM 0 HG12 VAL A 46 13.051 6.759 -7.678 1.00 0.00 H new ATOM 0 HG13 VAL A 46 14.106 6.930 -6.256 1.00 0.00 H new ATOM 0 HG21 VAL A 46 13.629 4.020 -5.244 1.00 0.00 H new ATOM 0 HG22 VAL A 46 13.571 5.408 -4.131 1.00 0.00 H new ATOM 0 HG23 VAL A 46 12.185 4.298 -4.242 1.00 0.00 H new ATOM 471 N SER A 47 11.788 9.230 -5.209 1.00 0.00 N ATOM 472 CA SER A 47 12.354 10.424 -4.588 1.00 0.00 C ATOM 473 C SER A 47 12.259 10.372 -3.080 1.00 0.00 C ATOM 474 O SER A 47 13.163 10.890 -2.442 1.00 0.00 O ATOM 475 CB SER A 47 11.622 11.703 -5.083 1.00 0.00 C ATOM 476 OG SER A 47 12.173 12.860 -4.434 1.00 0.00 O ATOM 0 H SER A 47 11.135 9.415 -5.971 1.00 0.00 H new ATOM 0 HA SER A 47 13.404 10.458 -4.877 1.00 0.00 H new ATOM 0 HB2 SER A 47 11.725 11.797 -6.164 1.00 0.00 H new ATOM 0 HB3 SER A 47 10.556 11.628 -4.870 1.00 0.00 H new ATOM 0 HG SER A 47 11.710 13.664 -4.750 1.00 0.00 H new ATOM 482 N LYS A 48 11.199 9.760 -2.497 1.00 0.00 N ATOM 483 CA LYS A 48 11.097 9.691 -1.039 1.00 0.00 C ATOM 484 C LYS A 48 10.065 8.662 -0.621 1.00 0.00 C ATOM 485 O LYS A 48 10.476 7.675 -0.028 1.00 0.00 O ATOM 486 CB LYS A 48 10.917 11.068 -0.325 1.00 0.00 C ATOM 487 CG LYS A 48 9.622 11.891 -0.603 1.00 0.00 C ATOM 488 CD LYS A 48 9.418 12.239 -2.104 1.00 0.00 C ATOM 489 CE LYS A 48 8.135 13.073 -2.378 1.00 0.00 C ATOM 490 NZ LYS A 48 6.880 12.421 -1.937 1.00 0.00 N ATOM 0 H LYS A 48 10.430 9.323 -3.005 1.00 0.00 H new ATOM 0 HA LYS A 48 12.072 9.355 -0.685 1.00 0.00 H new ATOM 0 HB2 LYS A 48 10.974 10.893 0.749 1.00 0.00 H new ATOM 0 HB3 LYS A 48 11.769 11.693 -0.592 1.00 0.00 H new ATOM 0 HG2 LYS A 48 8.759 11.327 -0.249 1.00 0.00 H new ATOM 0 HG3 LYS A 48 9.657 12.815 -0.026 1.00 0.00 H new ATOM 0 HD2 LYS A 48 10.286 12.794 -2.461 1.00 0.00 H new ATOM 0 HD3 LYS A 48 9.371 11.315 -2.680 1.00 0.00 H new ATOM 0 HE2 LYS A 48 8.227 14.036 -1.875 1.00 0.00 H new ATOM 0 HE3 LYS A 48 8.069 13.277 -3.447 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 6.073 13.039 -2.155 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 6.766 11.515 -2.435 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 6.919 12.250 -0.912 1.00 0.00 H new ATOM 504 N VAL A 49 8.762 8.877 -0.948 1.00 0.00 N ATOM 505 CA VAL A 49 7.668 7.966 -0.603 1.00 0.00 C ATOM 506 C VAL A 49 7.757 7.424 0.816 1.00 0.00 C ATOM 507 O VAL A 49 8.691 7.750 1.530 1.00 0.00 O ATOM 508 CB VAL A 49 7.569 6.987 -1.814 1.00 0.00 C ATOM 509 CG1 VAL A 49 8.804 6.052 -1.914 1.00 0.00 C ATOM 510 CG2 VAL A 49 6.219 6.226 -1.939 1.00 0.00 C ATOM 0 H VAL A 49 8.452 9.700 -1.464 1.00 0.00 H new ATOM 0 HA VAL A 49 6.693 8.442 -0.499 1.00 0.00 H new ATOM 0 HB VAL A 49 7.582 7.633 -2.692 1.00 0.00 H new ATOM 0 HG11 VAL A 49 8.690 5.389 -2.772 1.00 0.00 H new ATOM 0 HG12 VAL A 49 9.706 6.652 -2.037 1.00 0.00 H new ATOM 0 HG13 VAL A 49 8.885 5.458 -1.004 1.00 0.00 H new ATOM 0 HG21 VAL A 49 6.249 5.572 -2.810 1.00 0.00 H new ATOM 0 HG22 VAL A 49 6.054 5.629 -1.042 1.00 0.00 H new ATOM 0 HG23 VAL A 49 5.406 6.943 -2.052 1.00 0.00 H new ATOM 520 N ASP A 50 6.785 6.613 1.293 1.00 0.00 N ATOM 521 CA ASP A 50 6.935 5.978 2.601 1.00 0.00 C ATOM 522 C ASP A 50 6.628 4.511 2.410 1.00 0.00 C ATOM 523 O ASP A 50 5.824 3.967 3.149 1.00 0.00 O ATOM 524 CB ASP A 50 6.024 6.747 3.592 1.00 0.00 C ATOM 525 CG ASP A 50 6.374 6.497 5.037 1.00 0.00 C ATOM 526 OD1 ASP A 50 6.903 5.398 5.353 1.00 0.00 O ATOM 527 OD2 ASP A 50 6.117 7.404 5.873 1.00 0.00 O ATOM 0 H ASP A 50 5.918 6.394 0.802 1.00 0.00 H new ATOM 0 HA ASP A 50 7.936 6.023 3.029 1.00 0.00 H new ATOM 0 HB2 ASP A 50 6.096 7.815 3.387 1.00 0.00 H new ATOM 0 HB3 ASP A 50 4.987 6.458 3.421 1.00 0.00 H new ATOM 532 N GLN A 51 7.282 3.876 1.404 1.00 0.00 N ATOM 533 CA GLN A 51 7.048 2.457 1.143 1.00 0.00 C ATOM 534 C GLN A 51 7.645 1.703 2.305 1.00 0.00 C ATOM 535 O GLN A 51 6.993 0.815 2.821 1.00 0.00 O ATOM 536 CB GLN A 51 7.698 1.893 -0.155 1.00 0.00 C ATOM 537 CG GLN A 51 7.240 2.637 -1.435 1.00 0.00 C ATOM 538 CD GLN A 51 7.945 2.163 -2.684 1.00 0.00 C ATOM 539 OE1 GLN A 51 8.575 1.122 -2.652 1.00 0.00 O ATOM 540 NE2 GLN A 51 7.860 2.915 -3.804 1.00 0.00 N ATOM 0 H GLN A 51 7.956 4.322 0.782 1.00 0.00 H new ATOM 0 HA GLN A 51 5.972 2.337 1.015 1.00 0.00 H new ATOM 0 HB2 GLN A 51 8.783 1.961 -0.071 1.00 0.00 H new ATOM 0 HB3 GLN A 51 7.451 0.835 -0.248 1.00 0.00 H new ATOM 0 HG2 GLN A 51 6.165 2.504 -1.560 1.00 0.00 H new ATOM 0 HG3 GLN A 51 7.417 3.705 -1.309 1.00 0.00 H new ATOM 0 HE21 GLN A 51 7.323 3.782 -3.796 1.00 0.00 H new ATOM 0 HE22 GLN A 51 8.332 2.615 -4.657 1.00 0.00 H new ATOM 549 N ALA A 52 8.882 2.055 2.727 1.00 0.00 N ATOM 550 CA ALA A 52 9.503 1.393 3.875 1.00 0.00 C ATOM 551 C ALA A 52 8.522 1.139 5.003 1.00 0.00 C ATOM 552 O ALA A 52 8.654 0.122 5.667 1.00 0.00 O ATOM 553 CB ALA A 52 10.676 2.249 4.417 1.00 0.00 C ATOM 0 H ALA A 52 9.452 2.781 2.293 1.00 0.00 H new ATOM 0 HA ALA A 52 9.865 0.429 3.519 1.00 0.00 H new ATOM 0 HB1 ALA A 52 11.130 1.746 5.271 1.00 0.00 H new ATOM 0 HB2 ALA A 52 11.423 2.380 3.634 1.00 0.00 H new ATOM 0 HB3 ALA A 52 10.301 3.224 4.728 1.00 0.00 H new ATOM 559 N GLY A 53 7.537 2.041 5.231 1.00 0.00 N ATOM 560 CA GLY A 53 6.467 1.761 6.192 1.00 0.00 C ATOM 561 C GLY A 53 5.278 1.113 5.514 1.00 0.00 C ATOM 562 O GLY A 53 4.781 0.118 6.012 1.00 0.00 O ATOM 0 H GLY A 53 7.469 2.948 4.769 1.00 0.00 H new ATOM 0 HA2 GLY A 53 6.843 1.106 6.978 1.00 0.00 H new ATOM 0 HA3 GLY A 53 6.154 2.688 6.673 1.00 0.00 H new ATOM 566 N LEU A 54 4.794 1.667 4.379 1.00 0.00 N ATOM 567 CA LEU A 54 3.603 1.122 3.709 1.00 0.00 C ATOM 568 C LEU A 54 3.740 -0.342 3.389 1.00 0.00 C ATOM 569 O LEU A 54 2.729 -1.008 3.251 1.00 0.00 O ATOM 570 CB LEU A 54 3.248 1.879 2.398 1.00 0.00 C ATOM 571 CG LEU A 54 1.719 2.070 2.124 1.00 0.00 C ATOM 572 CD1 LEU A 54 1.479 3.560 1.763 1.00 0.00 C ATOM 573 CD2 LEU A 54 1.171 1.110 1.030 1.00 0.00 C ATOM 0 H LEU A 54 5.206 2.478 3.918 1.00 0.00 H new ATOM 0 HA LEU A 54 2.797 1.261 4.429 1.00 0.00 H new ATOM 0 HB2 LEU A 54 3.720 2.861 2.427 1.00 0.00 H new ATOM 0 HB3 LEU A 54 3.685 1.340 1.558 1.00 0.00 H new ATOM 0 HG LEU A 54 1.163 1.809 3.024 1.00 0.00 H new ATOM 0 HD11 LEU A 54 0.419 3.721 1.567 1.00 0.00 H new ATOM 0 HD12 LEU A 54 1.794 4.191 2.594 1.00 0.00 H new ATOM 0 HD13 LEU A 54 2.055 3.816 0.874 1.00 0.00 H new ATOM 0 HD21 LEU A 54 0.106 1.292 0.887 1.00 0.00 H new ATOM 0 HD22 LEU A 54 1.699 1.287 0.093 1.00 0.00 H new ATOM 0 HD23 LEU A 54 1.324 0.077 1.343 1.00 0.00 H new ATOM 585 N LYS A 55 4.985 -0.835 3.261 1.00 0.00 N ATOM 586 CA LYS A 55 5.232 -2.229 2.926 1.00 0.00 C ATOM 587 C LYS A 55 4.999 -3.227 4.032 1.00 0.00 C ATOM 588 O LYS A 55 4.601 -4.345 3.740 1.00 0.00 O ATOM 589 CB LYS A 55 6.670 -2.360 2.349 1.00 0.00 C ATOM 590 CG LYS A 55 7.850 -1.981 3.292 1.00 0.00 C ATOM 591 CD LYS A 55 8.523 -3.197 3.974 1.00 0.00 C ATOM 592 CE LYS A 55 9.426 -4.013 3.002 1.00 0.00 C ATOM 593 NZ LYS A 55 9.423 -5.446 3.366 1.00 0.00 N ATOM 0 H LYS A 55 5.831 -0.279 3.387 1.00 0.00 H new ATOM 0 HA LYS A 55 4.480 -2.495 2.183 1.00 0.00 H new ATOM 0 HB2 LYS A 55 6.812 -3.391 2.027 1.00 0.00 H new ATOM 0 HB3 LYS A 55 6.735 -1.736 1.458 1.00 0.00 H new ATOM 0 HG2 LYS A 55 8.601 -1.437 2.718 1.00 0.00 H new ATOM 0 HG3 LYS A 55 7.483 -1.302 4.062 1.00 0.00 H new ATOM 0 HD2 LYS A 55 9.124 -2.849 4.815 1.00 0.00 H new ATOM 0 HD3 LYS A 55 7.752 -3.851 4.382 1.00 0.00 H new ATOM 0 HE2 LYS A 55 9.070 -3.892 1.979 1.00 0.00 H new ATOM 0 HE3 LYS A 55 10.445 -3.627 3.033 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 10.030 -5.973 2.707 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 9.784 -5.559 4.335 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 8.452 -5.816 3.313 1.00 0.00 H new ATOM 607 N LYS A 56 5.257 -2.818 5.291 1.00 0.00 N ATOM 608 CA LYS A 56 5.005 -3.679 6.454 1.00 0.00 C ATOM 609 C LYS A 56 3.754 -3.215 7.182 1.00 0.00 C ATOM 610 O LYS A 56 2.959 -4.044 7.599 1.00 0.00 O ATOM 611 CB LYS A 56 6.274 -3.803 7.350 1.00 0.00 C ATOM 612 CG LYS A 56 7.037 -2.478 7.618 1.00 0.00 C ATOM 613 CD LYS A 56 8.266 -2.624 8.562 1.00 0.00 C ATOM 614 CE LYS A 56 9.354 -3.618 8.056 1.00 0.00 C ATOM 615 NZ LYS A 56 9.252 -4.956 8.683 1.00 0.00 N ATOM 0 H LYS A 56 5.638 -1.901 5.523 1.00 0.00 H new ATOM 0 HA LYS A 56 4.801 -4.698 6.125 1.00 0.00 H new ATOM 0 HB2 LYS A 56 5.980 -4.232 8.308 1.00 0.00 H new ATOM 0 HB3 LYS A 56 6.960 -4.508 6.881 1.00 0.00 H new ATOM 0 HG2 LYS A 56 7.372 -2.067 6.666 1.00 0.00 H new ATOM 0 HG3 LYS A 56 6.345 -1.756 8.051 1.00 0.00 H new ATOM 0 HD2 LYS A 56 8.722 -1.644 8.698 1.00 0.00 H new ATOM 0 HD3 LYS A 56 7.919 -2.953 9.542 1.00 0.00 H new ATOM 0 HE2 LYS A 56 9.268 -3.722 6.974 1.00 0.00 H new ATOM 0 HE3 LYS A 56 10.341 -3.202 8.259 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 10.000 -5.573 8.308 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 9.362 -4.866 9.713 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 8.322 -5.370 8.469 1.00 0.00 H new ATOM 629 N LEU A 57 3.548 -1.887 7.334 1.00 0.00 N ATOM 630 CA LEU A 57 2.337 -1.359 7.958 1.00 0.00 C ATOM 631 C LEU A 57 1.178 -1.591 7.001 1.00 0.00 C ATOM 632 O LEU A 57 0.190 -2.191 7.390 1.00 0.00 O ATOM 633 CB LEU A 57 2.548 0.163 8.258 1.00 0.00 C ATOM 634 CG LEU A 57 1.652 0.774 9.375 1.00 0.00 C ATOM 635 CD1 LEU A 57 1.850 2.311 9.480 1.00 0.00 C ATOM 636 CD2 LEU A 57 0.160 0.472 9.121 1.00 0.00 C ATOM 0 H LEU A 57 4.209 -1.172 7.031 1.00 0.00 H new ATOM 0 HA LEU A 57 2.117 -1.859 8.901 1.00 0.00 H new ATOM 0 HB2 LEU A 57 3.591 0.316 8.533 1.00 0.00 H new ATOM 0 HB3 LEU A 57 2.376 0.721 7.337 1.00 0.00 H new ATOM 0 HG LEU A 57 1.956 0.311 10.314 1.00 0.00 H new ATOM 0 HD11 LEU A 57 1.211 2.707 10.269 1.00 0.00 H new ATOM 0 HD12 LEU A 57 2.892 2.528 9.714 1.00 0.00 H new ATOM 0 HD13 LEU A 57 1.587 2.777 8.531 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -0.441 0.911 9.917 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -0.140 0.898 8.163 1.00 0.00 H new ATOM 0 HD23 LEU A 57 0.005 -0.607 9.103 1.00 0.00 H new ATOM 648 N GLY A 58 1.277 -1.114 5.738 1.00 0.00 N ATOM 649 CA GLY A 58 0.137 -1.134 4.817 1.00 0.00 C ATOM 650 C GLY A 58 -0.016 -2.480 4.151 1.00 0.00 C ATOM 651 O GLY A 58 -1.111 -3.020 4.145 1.00 0.00 O ATOM 0 H GLY A 58 2.130 -0.716 5.345 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -0.776 -0.891 5.361 1.00 0.00 H new ATOM 0 HA3 GLY A 58 0.269 -0.364 4.057 1.00 0.00 H new ATOM 655 N ALA A 59 1.088 -3.018 3.584 1.00 0.00 N ATOM 656 CA ALA A 59 1.086 -4.340 2.973 1.00 0.00 C ATOM 657 C ALA A 59 1.926 -5.218 3.879 1.00 0.00 C ATOM 658 O ALA A 59 2.207 -4.795 4.990 1.00 0.00 O ATOM 659 CB ALA A 59 1.622 -4.219 1.525 1.00 0.00 C ATOM 0 H ALA A 59 1.990 -2.543 3.544 1.00 0.00 H new ATOM 0 HA ALA A 59 0.096 -4.787 2.883 1.00 0.00 H new ATOM 0 HB1 ALA A 59 1.626 -5.203 1.055 1.00 0.00 H new ATOM 0 HB2 ALA A 59 0.981 -3.547 0.955 1.00 0.00 H new ATOM 0 HB3 ALA A 59 2.637 -3.822 1.545 1.00 0.00 H new ATOM 665 N ALA A 60 2.348 -6.426 3.439 1.00 0.00 N ATOM 666 CA ALA A 60 3.108 -7.336 4.303 1.00 0.00 C ATOM 667 C ALA A 60 4.261 -7.897 3.505 1.00 0.00 C ATOM 668 O ALA A 60 4.582 -9.065 3.655 1.00 0.00 O ATOM 669 CB ALA A 60 2.205 -8.489 4.815 1.00 0.00 C ATOM 0 H ALA A 60 2.174 -6.783 2.500 1.00 0.00 H new ATOM 0 HA ALA A 60 3.479 -6.791 5.171 1.00 0.00 H new ATOM 0 HB1 ALA A 60 2.789 -9.152 5.454 1.00 0.00 H new ATOM 0 HB2 ALA A 60 1.374 -8.074 5.385 1.00 0.00 H new ATOM 0 HB3 ALA A 60 1.817 -9.052 3.966 1.00 0.00 H new ATOM 675 N GLY A 61 4.884 -7.071 2.632 1.00 0.00 N ATOM 676 CA GLY A 61 5.915 -7.583 1.738 1.00 0.00 C ATOM 677 C GLY A 61 5.756 -6.924 0.389 1.00 0.00 C ATOM 678 O GLY A 61 4.912 -7.377 -0.368 1.00 0.00 O ATOM 0 H GLY A 61 4.688 -6.074 2.538 1.00 0.00 H new ATOM 0 HA2 GLY A 61 6.905 -7.377 2.145 1.00 0.00 H new ATOM 0 HA3 GLY A 61 5.829 -8.665 1.642 1.00 0.00 H new ATOM 682 N VAL A 62 6.547 -5.868 0.082 1.00 0.00 N ATOM 683 CA VAL A 62 6.498 -5.246 -1.243 1.00 0.00 C ATOM 684 C VAL A 62 7.888 -5.359 -1.808 1.00 0.00 C ATOM 685 O VAL A 62 8.809 -5.578 -1.036 1.00 0.00 O ATOM 686 CB VAL A 62 5.981 -3.768 -1.215 1.00 0.00 C ATOM 687 CG1 VAL A 62 4.831 -3.601 -0.189 1.00 0.00 C ATOM 688 CG2 VAL A 62 7.135 -2.743 -1.034 1.00 0.00 C ATOM 0 H VAL A 62 7.212 -5.442 0.728 1.00 0.00 H new ATOM 0 HA VAL A 62 5.773 -5.759 -1.875 1.00 0.00 H new ATOM 0 HB VAL A 62 5.556 -3.541 -2.193 1.00 0.00 H new ATOM 0 HG11 VAL A 62 4.490 -2.566 -0.190 1.00 0.00 H new ATOM 0 HG12 VAL A 62 4.003 -4.256 -0.461 1.00 0.00 H new ATOM 0 HG13 VAL A 62 5.190 -3.864 0.806 1.00 0.00 H new ATOM 0 HG21 VAL A 62 6.726 -1.733 -1.021 1.00 0.00 H new ATOM 0 HG22 VAL A 62 7.651 -2.938 -0.094 1.00 0.00 H new ATOM 0 HG23 VAL A 62 7.839 -2.838 -1.860 1.00 0.00 H new ATOM 698 N VAL A 63 8.046 -5.215 -3.143 1.00 0.00 N ATOM 699 CA VAL A 63 9.371 -5.280 -3.760 1.00 0.00 C ATOM 700 C VAL A 63 9.494 -4.001 -4.542 1.00 0.00 C ATOM 701 O VAL A 63 8.453 -3.518 -4.954 1.00 0.00 O ATOM 702 CB VAL A 63 9.560 -6.565 -4.631 1.00 0.00 C ATOM 703 CG1 VAL A 63 8.551 -7.678 -4.222 1.00 0.00 C ATOM 704 CG2 VAL A 63 9.514 -6.276 -6.158 1.00 0.00 C ATOM 0 H VAL A 63 7.280 -5.056 -3.797 1.00 0.00 H new ATOM 0 HA VAL A 63 10.166 -5.363 -3.019 1.00 0.00 H new ATOM 0 HB VAL A 63 10.565 -6.934 -4.426 1.00 0.00 H new ATOM 0 HG11 VAL A 63 8.708 -8.558 -4.846 1.00 0.00 H new ATOM 0 HG12 VAL A 63 8.705 -7.942 -3.176 1.00 0.00 H new ATOM 0 HG13 VAL A 63 7.533 -7.314 -4.358 1.00 0.00 H new ATOM 0 HG21 VAL A 63 9.651 -7.207 -6.709 1.00 0.00 H new ATOM 0 HG22 VAL A 63 8.549 -5.840 -6.417 1.00 0.00 H new ATOM 0 HG23 VAL A 63 10.310 -5.579 -6.420 1.00 0.00 H new ATOM 714 N VAL A 64 10.712 -3.445 -4.747 1.00 0.00 N ATOM 715 CA VAL A 64 10.843 -2.147 -5.408 1.00 0.00 C ATOM 716 C VAL A 64 11.838 -2.320 -6.536 1.00 0.00 C ATOM 717 O VAL A 64 13.030 -2.224 -6.289 1.00 0.00 O ATOM 718 CB VAL A 64 11.256 -1.059 -4.372 1.00 0.00 C ATOM 719 CG1 VAL A 64 11.008 0.361 -4.954 1.00 0.00 C ATOM 720 CG2 VAL A 64 10.502 -1.224 -3.023 1.00 0.00 C ATOM 0 H VAL A 64 11.594 -3.873 -4.467 1.00 0.00 H new ATOM 0 HA VAL A 64 9.899 -1.803 -5.830 1.00 0.00 H new ATOM 0 HB VAL A 64 12.320 -1.186 -4.172 1.00 0.00 H new ATOM 0 HG11 VAL A 64 11.301 1.111 -4.220 1.00 0.00 H new ATOM 0 HG12 VAL A 64 11.599 0.491 -5.861 1.00 0.00 H new ATOM 0 HG13 VAL A 64 9.950 0.478 -5.190 1.00 0.00 H new ATOM 0 HG21 VAL A 64 10.820 -0.445 -2.330 1.00 0.00 H new ATOM 0 HG22 VAL A 64 9.429 -1.141 -3.194 1.00 0.00 H new ATOM 0 HG23 VAL A 64 10.727 -2.202 -2.597 1.00 0.00 H new ATOM 730 N ALA A 65 11.357 -2.598 -7.774 1.00 0.00 N ATOM 731 CA ALA A 65 12.254 -2.856 -8.900 1.00 0.00 C ATOM 732 C ALA A 65 12.174 -1.691 -9.861 1.00 0.00 C ATOM 733 O ALA A 65 11.370 -1.785 -10.774 1.00 0.00 O ATOM 734 CB ALA A 65 11.804 -4.179 -9.580 1.00 0.00 C ATOM 0 H ALA A 65 10.364 -2.646 -8.004 1.00 0.00 H new ATOM 0 HA ALA A 65 13.288 -2.959 -8.572 1.00 0.00 H new ATOM 0 HB1 ALA A 65 12.458 -4.395 -10.425 1.00 0.00 H new ATOM 0 HB2 ALA A 65 11.860 -4.995 -8.860 1.00 0.00 H new ATOM 0 HB3 ALA A 65 10.778 -4.076 -9.933 1.00 0.00 H new ATOM 740 N GLY A 66 12.978 -0.610 -9.675 1.00 0.00 N ATOM 741 CA GLY A 66 12.918 0.562 -10.558 1.00 0.00 C ATOM 742 C GLY A 66 12.360 0.234 -11.928 1.00 0.00 C ATOM 743 O GLY A 66 13.090 -0.392 -12.679 1.00 0.00 O ATOM 0 H GLY A 66 13.666 -0.536 -8.925 1.00 0.00 H new ATOM 0 HA2 GLY A 66 12.301 1.331 -10.093 1.00 0.00 H new ATOM 0 HA3 GLY A 66 13.918 0.980 -10.668 1.00 0.00 H new ATOM 747 N SER A 67 11.086 0.609 -12.221 1.00 0.00 N ATOM 748 CA SER A 67 10.346 0.129 -13.397 1.00 0.00 C ATOM 749 C SER A 67 8.987 -0.346 -12.918 1.00 0.00 C ATOM 750 O SER A 67 7.996 -0.111 -13.594 1.00 0.00 O ATOM 751 CB SER A 67 10.970 -1.023 -14.229 1.00 0.00 C ATOM 752 OG SER A 67 12.098 -0.540 -14.977 1.00 0.00 O ATOM 0 H SER A 67 10.551 1.255 -11.640 1.00 0.00 H new ATOM 0 HA SER A 67 10.335 0.982 -14.075 1.00 0.00 H new ATOM 0 HB2 SER A 67 11.282 -1.831 -13.568 1.00 0.00 H new ATOM 0 HB3 SER A 67 10.224 -1.436 -14.908 1.00 0.00 H new ATOM 0 HG SER A 67 12.789 -0.223 -14.359 1.00 0.00 H new ATOM 758 N GLY A 68 8.936 -1.017 -11.742 1.00 0.00 N ATOM 759 CA GLY A 68 7.665 -1.457 -11.183 1.00 0.00 C ATOM 760 C GLY A 68 7.841 -1.770 -9.716 1.00 0.00 C ATOM 761 O GLY A 68 8.966 -2.013 -9.306 1.00 0.00 O ATOM 0 H GLY A 68 9.754 -1.255 -11.181 1.00 0.00 H new ATOM 0 HA2 GLY A 68 6.911 -0.681 -11.312 1.00 0.00 H new ATOM 0 HA3 GLY A 68 7.308 -2.340 -11.714 1.00 0.00 H new ATOM 765 N VAL A 69 6.745 -1.774 -8.921 1.00 0.00 N ATOM 766 CA VAL A 69 6.840 -2.012 -7.478 1.00 0.00 C ATOM 767 C VAL A 69 5.713 -2.972 -7.194 1.00 0.00 C ATOM 768 O VAL A 69 4.628 -2.722 -7.693 1.00 0.00 O ATOM 769 CB VAL A 69 6.663 -0.709 -6.650 1.00 0.00 C ATOM 770 CG1 VAL A 69 6.901 -0.911 -5.131 1.00 0.00 C ATOM 771 CG2 VAL A 69 7.586 0.401 -7.219 1.00 0.00 C ATOM 0 H VAL A 69 5.796 -1.616 -9.260 1.00 0.00 H new ATOM 0 HA VAL A 69 7.821 -2.397 -7.199 1.00 0.00 H new ATOM 0 HB VAL A 69 5.621 -0.403 -6.747 1.00 0.00 H new ATOM 0 HG11 VAL A 69 6.762 0.037 -4.612 1.00 0.00 H new ATOM 0 HG12 VAL A 69 6.192 -1.643 -4.746 1.00 0.00 H new ATOM 0 HG13 VAL A 69 7.917 -1.269 -4.966 1.00 0.00 H new ATOM 0 HG21 VAL A 69 7.460 1.313 -6.636 1.00 0.00 H new ATOM 0 HG22 VAL A 69 8.625 0.075 -7.162 1.00 0.00 H new ATOM 0 HG23 VAL A 69 7.323 0.595 -8.259 1.00 0.00 H new ATOM 781 N GLN A 70 5.934 -4.057 -6.427 1.00 0.00 N ATOM 782 CA GLN A 70 4.891 -5.063 -6.223 1.00 0.00 C ATOM 783 C GLN A 70 4.492 -4.996 -4.777 1.00 0.00 C ATOM 784 O GLN A 70 5.406 -4.662 -4.050 1.00 0.00 O ATOM 785 CB GLN A 70 5.431 -6.461 -6.632 1.00 0.00 C ATOM 786 CG GLN A 70 4.728 -7.611 -5.874 1.00 0.00 C ATOM 787 CD GLN A 70 5.221 -8.977 -6.293 1.00 0.00 C ATOM 788 OE1 GLN A 70 6.393 -9.253 -6.083 1.00 0.00 O ATOM 789 NE2 GLN A 70 4.378 -9.859 -6.875 1.00 0.00 N ATOM 0 H GLN A 70 6.813 -4.252 -5.948 1.00 0.00 H new ATOM 0 HA GLN A 70 4.013 -4.878 -6.842 1.00 0.00 H new ATOM 0 HB2 GLN A 70 5.295 -6.600 -7.704 1.00 0.00 H new ATOM 0 HB3 GLN A 70 6.503 -6.504 -6.438 1.00 0.00 H new ATOM 0 HG2 GLN A 70 4.888 -7.485 -4.803 1.00 0.00 H new ATOM 0 HG3 GLN A 70 3.653 -7.549 -6.045 1.00 0.00 H new ATOM 0 HE21 GLN A 70 3.404 -9.602 -7.038 1.00 0.00 H new ATOM 0 HE22 GLN A 70 4.715 -10.781 -7.151 1.00 0.00 H new ATOM 798 N ALA A 71 3.238 -5.287 -4.334 1.00 0.00 N ATOM 799 CA ALA A 71 2.863 -5.138 -2.929 1.00 0.00 C ATOM 800 C ALA A 71 2.001 -6.284 -2.440 1.00 0.00 C ATOM 801 O ALA A 71 1.007 -6.544 -3.091 1.00 0.00 O ATOM 802 CB ALA A 71 2.148 -3.783 -2.693 1.00 0.00 C ATOM 0 H ALA A 71 2.486 -5.622 -4.936 1.00 0.00 H new ATOM 0 HA ALA A 71 3.786 -5.157 -2.349 1.00 0.00 H new ATOM 0 HB1 ALA A 71 1.878 -3.693 -1.641 1.00 0.00 H new ATOM 0 HB2 ALA A 71 2.816 -2.967 -2.967 1.00 0.00 H new ATOM 0 HB3 ALA A 71 1.247 -3.736 -3.305 1.00 0.00 H new ATOM 808 N ILE A 72 2.339 -7.015 -1.343 1.00 0.00 N ATOM 809 CA ILE A 72 1.594 -8.232 -1.003 1.00 0.00 C ATOM 810 C ILE A 72 1.221 -8.177 0.452 1.00 0.00 C ATOM 811 O ILE A 72 2.124 -7.990 1.251 1.00 0.00 O ATOM 812 CB ILE A 72 2.401 -9.516 -1.402 1.00 0.00 C ATOM 813 CG1 ILE A 72 2.082 -9.970 -2.862 1.00 0.00 C ATOM 814 CG2 ILE A 72 2.149 -10.744 -0.479 1.00 0.00 C ATOM 815 CD1 ILE A 72 2.918 -9.212 -3.915 1.00 0.00 C ATOM 0 H ILE A 72 3.100 -6.783 -0.705 1.00 0.00 H new ATOM 0 HA ILE A 72 0.670 -8.289 -1.578 1.00 0.00 H new ATOM 0 HB ILE A 72 3.441 -9.208 -1.299 1.00 0.00 H new ATOM 0 HG12 ILE A 72 2.270 -11.040 -2.955 1.00 0.00 H new ATOM 0 HG13 ILE A 72 1.022 -9.814 -3.064 1.00 0.00 H new ATOM 0 HG21 ILE A 72 2.745 -11.588 -0.825 1.00 0.00 H new ATOM 0 HG22 ILE A 72 2.432 -10.495 0.544 1.00 0.00 H new ATOM 0 HG23 ILE A 72 1.092 -11.010 -0.508 1.00 0.00 H new ATOM 0 HD11 ILE A 72 2.656 -9.567 -4.912 1.00 0.00 H new ATOM 0 HD12 ILE A 72 2.711 -8.144 -3.844 1.00 0.00 H new ATOM 0 HD13 ILE A 72 3.978 -9.389 -3.734 1.00 0.00 H new ATOM 827 N PHE A 73 -0.078 -8.344 0.808 1.00 0.00 N ATOM 828 CA PHE A 73 -0.475 -8.335 2.211 1.00 0.00 C ATOM 829 C PHE A 73 -0.580 -9.762 2.728 1.00 0.00 C ATOM 830 O PHE A 73 -0.669 -9.916 3.938 1.00 0.00 O ATOM 831 CB PHE A 73 -1.665 -7.386 2.558 1.00 0.00 C ATOM 832 CG PHE A 73 -2.582 -6.850 1.443 1.00 0.00 C ATOM 833 CD1 PHE A 73 -2.051 -6.399 0.232 1.00 0.00 C ATOM 834 CD2 PHE A 73 -3.972 -6.767 1.630 1.00 0.00 C ATOM 835 CE1 PHE A 73 -2.896 -6.231 -0.866 1.00 0.00 C ATOM 836 CE2 PHE A 73 -4.827 -6.526 0.545 1.00 0.00 C ATOM 837 CZ PHE A 73 -4.288 -6.328 -0.722 1.00 0.00 C ATOM 0 H PHE A 73 -0.843 -8.483 0.148 1.00 0.00 H new ATOM 0 HA PHE A 73 0.321 -7.856 2.781 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -2.299 -7.911 3.272 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -1.248 -6.522 3.076 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -0.996 -6.182 0.146 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -4.386 -6.890 2.620 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -2.473 -6.024 -1.838 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -5.896 -6.494 0.692 1.00 0.00 H new ATOM 0 HZ PHE A 73 -4.933 -6.250 -1.584 1.00 0.00 H new ATOM 847 N GLY A 74 -0.477 -10.813 1.872 1.00 0.00 N ATOM 848 CA GLY A 74 -0.338 -12.165 2.399 1.00 0.00 C ATOM 849 C GLY A 74 -1.546 -12.515 3.230 1.00 0.00 C ATOM 850 O GLY A 74 -2.575 -11.874 3.072 1.00 0.00 O ATOM 0 H GLY A 74 -0.488 -10.741 0.855 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -0.231 -12.876 1.579 1.00 0.00 H new ATOM 0 HA3 GLY A 74 0.565 -12.238 3.005 1.00 0.00 H new ATOM 854 N THR A 75 -1.425 -13.522 4.125 1.00 0.00 N ATOM 855 CA THR A 75 -2.504 -13.759 5.075 1.00 0.00 C ATOM 856 C THR A 75 -2.651 -12.558 5.991 1.00 0.00 C ATOM 857 O THR A 75 -3.764 -12.296 6.423 1.00 0.00 O ATOM 858 CB THR A 75 -2.339 -15.053 5.920 1.00 0.00 C ATOM 859 OG1 THR A 75 -3.443 -15.154 6.841 1.00 0.00 O ATOM 860 CG2 THR A 75 -1.041 -15.090 6.769 1.00 0.00 C ATOM 0 H THR A 75 -0.625 -14.150 4.200 1.00 0.00 H new ATOM 0 HA THR A 75 -3.405 -13.905 4.480 1.00 0.00 H new ATOM 0 HB THR A 75 -2.299 -15.875 5.205 1.00 0.00 H new ATOM 0 HG1 THR A 75 -3.348 -15.969 7.377 1.00 0.00 H new ATOM 0 HG21 THR A 75 -0.999 -16.024 7.330 1.00 0.00 H new ATOM 0 HG22 THR A 75 -0.174 -15.022 6.112 1.00 0.00 H new ATOM 0 HG23 THR A 75 -1.036 -14.250 7.463 1.00 0.00 H new ATOM 868 N LYS A 76 -1.557 -11.815 6.299 1.00 0.00 N ATOM 869 CA LYS A 76 -1.686 -10.648 7.178 1.00 0.00 C ATOM 870 C LYS A 76 -2.791 -9.727 6.692 1.00 0.00 C ATOM 871 O LYS A 76 -3.363 -9.022 7.509 1.00 0.00 O ATOM 872 CB LYS A 76 -0.363 -9.836 7.355 1.00 0.00 C ATOM 873 CG LYS A 76 0.065 -9.646 8.840 1.00 0.00 C ATOM 874 CD LYS A 76 0.654 -10.947 9.457 1.00 0.00 C ATOM 875 CE LYS A 76 1.260 -10.736 10.874 1.00 0.00 C ATOM 876 NZ LYS A 76 2.563 -10.028 10.864 1.00 0.00 N ATOM 0 H LYS A 76 -0.613 -12.001 5.961 1.00 0.00 H new ATOM 0 HA LYS A 76 -1.938 -11.050 8.159 1.00 0.00 H new ATOM 0 HB2 LYS A 76 0.438 -10.344 6.818 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -0.485 -8.856 6.894 1.00 0.00 H new ATOM 0 HG2 LYS A 76 0.806 -8.849 8.903 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -0.797 -9.327 9.426 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -0.131 -11.702 9.514 1.00 0.00 H new ATOM 0 HD3 LYS A 76 1.426 -11.338 8.794 1.00 0.00 H new ATOM 0 HE2 LYS A 76 0.553 -10.170 11.481 1.00 0.00 H new ATOM 0 HE3 LYS A 76 1.387 -11.706 11.354 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 2.908 -9.922 11.839 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 3.252 -10.577 10.311 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 2.444 -9.088 10.435 1.00 0.00 H new ATOM 890 N SER A 77 -3.104 -9.733 5.374 1.00 0.00 N ATOM 891 CA SER A 77 -4.220 -8.946 4.858 1.00 0.00 C ATOM 892 C SER A 77 -5.427 -8.889 5.750 1.00 0.00 C ATOM 893 O SER A 77 -6.063 -7.851 5.731 1.00 0.00 O ATOM 894 CB SER A 77 -4.735 -9.503 3.505 1.00 0.00 C ATOM 895 OG SER A 77 -5.227 -10.845 3.657 1.00 0.00 O ATOM 0 H SER A 77 -2.600 -10.270 4.668 1.00 0.00 H new ATOM 0 HA SER A 77 -3.790 -7.948 4.771 1.00 0.00 H new ATOM 0 HB2 SER A 77 -5.529 -8.862 3.121 1.00 0.00 H new ATOM 0 HB3 SER A 77 -3.930 -9.488 2.771 1.00 0.00 H new ATOM 0 HG SER A 77 -4.497 -11.480 3.504 1.00 0.00 H new ATOM 901 N ASP A 78 -5.800 -9.927 6.524 1.00 0.00 N ATOM 902 CA ASP A 78 -6.961 -9.735 7.391 1.00 0.00 C ATOM 903 C ASP A 78 -6.643 -8.631 8.385 1.00 0.00 C ATOM 904 O ASP A 78 -7.451 -7.732 8.566 1.00 0.00 O ATOM 905 CB ASP A 78 -7.360 -11.054 8.101 1.00 0.00 C ATOM 906 CG ASP A 78 -8.702 -10.964 8.792 1.00 0.00 C ATOM 907 OD1 ASP A 78 -9.211 -9.828 9.001 1.00 0.00 O ATOM 908 OD2 ASP A 78 -9.267 -12.041 9.126 1.00 0.00 O ATOM 0 H ASP A 78 -5.348 -10.841 6.565 1.00 0.00 H new ATOM 0 HA ASP A 78 -7.822 -9.440 6.792 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -7.386 -11.862 7.369 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -6.596 -11.313 8.834 1.00 0.00 H new ATOM 913 N ASN A 79 -5.454 -8.682 9.032 1.00 0.00 N ATOM 914 CA ASN A 79 -5.101 -7.670 10.030 1.00 0.00 C ATOM 915 C ASN A 79 -4.860 -6.315 9.399 1.00 0.00 C ATOM 916 O ASN A 79 -5.238 -5.316 9.990 1.00 0.00 O ATOM 917 CB ASN A 79 -3.826 -8.068 10.824 1.00 0.00 C ATOM 918 CG ASN A 79 -3.696 -7.233 12.082 1.00 0.00 C ATOM 919 OD1 ASN A 79 -4.496 -7.429 12.981 1.00 0.00 O ATOM 920 ND2 ASN A 79 -2.719 -6.303 12.190 1.00 0.00 N ATOM 0 H ASN A 79 -4.745 -9.399 8.879 1.00 0.00 H new ATOM 0 HA ASN A 79 -5.953 -7.610 10.707 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -3.870 -9.125 11.086 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -2.944 -7.931 10.198 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -2.638 -5.745 13.040 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -2.063 -6.160 11.422 1.00 0.00 H new ATOM 927 N LEU A 80 -4.224 -6.244 8.207 1.00 0.00 N ATOM 928 CA LEU A 80 -3.976 -4.939 7.592 1.00 0.00 C ATOM 929 C LEU A 80 -5.293 -4.443 7.026 1.00 0.00 C ATOM 930 O LEU A 80 -5.598 -3.270 7.143 1.00 0.00 O ATOM 931 CB LEU A 80 -2.814 -4.970 6.556 1.00 0.00 C ATOM 932 CG LEU A 80 -1.538 -5.705 7.079 1.00 0.00 C ATOM 933 CD1 LEU A 80 -0.337 -5.498 6.120 1.00 0.00 C ATOM 934 CD2 LEU A 80 -1.117 -5.264 8.507 1.00 0.00 C ATOM 0 H LEU A 80 -3.888 -7.047 7.676 1.00 0.00 H new ATOM 0 HA LEU A 80 -3.623 -4.231 8.341 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -3.160 -5.461 5.647 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -2.550 -3.948 6.285 1.00 0.00 H new ATOM 0 HG LEU A 80 -1.810 -6.760 7.119 1.00 0.00 H new ATOM 0 HD11 LEU A 80 0.535 -6.021 6.511 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -0.586 -5.893 5.135 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -0.115 -4.434 6.039 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -0.225 -5.813 8.809 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -0.904 -4.195 8.510 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -1.926 -5.474 9.206 1.00 0.00 H new ATOM 946 N LYS A 81 -6.140 -5.310 6.431 1.00 0.00 N ATOM 947 CA LYS A 81 -7.480 -4.874 6.033 1.00 0.00 C ATOM 948 C LYS A 81 -8.203 -4.275 7.216 1.00 0.00 C ATOM 949 O LYS A 81 -8.929 -3.316 7.014 1.00 0.00 O ATOM 950 CB LYS A 81 -8.354 -6.019 5.443 1.00 0.00 C ATOM 951 CG LYS A 81 -7.973 -6.318 3.958 1.00 0.00 C ATOM 952 CD LYS A 81 -9.071 -5.936 2.914 1.00 0.00 C ATOM 953 CE LYS A 81 -9.764 -4.560 3.140 1.00 0.00 C ATOM 954 NZ LYS A 81 -10.401 -4.051 1.903 1.00 0.00 N ATOM 0 H LYS A 81 -5.923 -6.285 6.224 1.00 0.00 H new ATOM 0 HA LYS A 81 -7.335 -4.133 5.247 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -8.227 -6.921 6.042 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -9.407 -5.743 5.502 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -7.057 -5.779 3.716 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -7.752 -7.381 3.861 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -8.620 -5.937 1.922 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -9.836 -6.713 2.917 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -10.517 -4.657 3.922 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -9.029 -3.837 3.493 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -10.851 -3.133 2.096 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -9.679 -3.934 1.164 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -11.121 -4.728 1.579 1.00 0.00 H new ATOM 968 N THR A 82 -8.034 -4.797 8.450 1.00 0.00 N ATOM 969 CA THR A 82 -8.686 -4.158 9.594 1.00 0.00 C ATOM 970 C THR A 82 -8.195 -2.732 9.731 1.00 0.00 C ATOM 971 O THR A 82 -9.018 -1.845 9.886 1.00 0.00 O ATOM 972 CB THR A 82 -8.507 -4.966 10.914 1.00 0.00 C ATOM 973 OG1 THR A 82 -9.458 -6.045 10.942 1.00 0.00 O ATOM 974 CG2 THR A 82 -8.731 -4.096 12.178 1.00 0.00 C ATOM 0 H THR A 82 -7.476 -5.623 8.667 1.00 0.00 H new ATOM 0 HA THR A 82 -9.759 -4.142 9.405 1.00 0.00 H new ATOM 0 HB THR A 82 -7.481 -5.333 10.928 1.00 0.00 H new ATOM 0 HG1 THR A 82 -9.348 -6.557 11.770 1.00 0.00 H new ATOM 0 HG21 THR A 82 -8.594 -4.708 13.070 1.00 0.00 H new ATOM 0 HG22 THR A 82 -8.013 -3.276 12.187 1.00 0.00 H new ATOM 0 HG23 THR A 82 -9.743 -3.692 12.167 1.00 0.00 H new ATOM 982 N GLU A 83 -6.869 -2.464 9.686 1.00 0.00 N ATOM 983 CA GLU A 83 -6.428 -1.076 9.848 1.00 0.00 C ATOM 984 C GLU A 83 -6.926 -0.253 8.682 1.00 0.00 C ATOM 985 O GLU A 83 -7.262 0.903 8.888 1.00 0.00 O ATOM 986 CB GLU A 83 -4.888 -0.920 10.014 1.00 0.00 C ATOM 987 CG GLU A 83 -4.148 -0.720 8.664 1.00 0.00 C ATOM 988 CD GLU A 83 -2.675 -0.981 8.741 1.00 0.00 C ATOM 989 OE1 GLU A 83 -2.175 -1.349 9.838 1.00 0.00 O ATOM 990 OE2 GLU A 83 -2.022 -0.833 7.674 1.00 0.00 O ATOM 0 H GLU A 83 -6.129 -3.153 9.547 1.00 0.00 H new ATOM 0 HA GLU A 83 -6.860 -0.712 10.780 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -4.683 -0.069 10.664 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -4.491 -1.804 10.512 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -4.587 -1.382 7.918 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -4.310 0.301 8.319 1.00 0.00 H new ATOM 997 N MET A 84 -6.978 -0.819 7.448 1.00 0.00 N ATOM 998 CA MET A 84 -7.439 -0.023 6.319 1.00 0.00 C ATOM 999 C MET A 84 -8.907 0.260 6.537 1.00 0.00 C ATOM 1000 O MET A 84 -9.332 1.375 6.285 1.00 0.00 O ATOM 1001 CB MET A 84 -7.251 -0.666 4.916 1.00 0.00 C ATOM 1002 CG MET A 84 -5.758 -0.875 4.546 1.00 0.00 C ATOM 1003 SD MET A 84 -5.531 -1.105 2.747 1.00 0.00 S ATOM 1004 CE MET A 84 -6.714 -2.423 2.341 1.00 0.00 C ATOM 0 H MET A 84 -6.716 -1.781 7.231 1.00 0.00 H new ATOM 0 HA MET A 84 -6.819 0.874 6.299 1.00 0.00 H new ATOM 0 HB2 MET A 84 -7.765 -1.627 4.890 1.00 0.00 H new ATOM 0 HB3 MET A 84 -7.722 -0.032 4.165 1.00 0.00 H new ATOM 0 HG2 MET A 84 -5.177 -0.015 4.879 1.00 0.00 H new ATOM 0 HG3 MET A 84 -5.371 -1.745 5.076 1.00 0.00 H new ATOM 0 HE1 MET A 84 -6.563 -2.742 1.310 1.00 0.00 H new ATOM 0 HE2 MET A 84 -6.559 -3.270 3.009 1.00 0.00 H new ATOM 0 HE3 MET A 84 -7.731 -2.049 2.460 1.00 0.00 H new ATOM 1014 N ASP A 85 -9.699 -0.729 7.015 1.00 0.00 N ATOM 1015 CA ASP A 85 -11.112 -0.474 7.274 1.00 0.00 C ATOM 1016 C ASP A 85 -11.213 0.801 8.077 1.00 0.00 C ATOM 1017 O ASP A 85 -11.912 1.708 7.654 1.00 0.00 O ATOM 1018 CB ASP A 85 -11.836 -1.627 8.018 1.00 0.00 C ATOM 1019 CG ASP A 85 -13.276 -1.259 8.284 1.00 0.00 C ATOM 1020 OD1 ASP A 85 -13.979 -0.869 7.311 1.00 0.00 O ATOM 1021 OD2 ASP A 85 -13.717 -1.351 9.462 1.00 0.00 O ATOM 0 H ASP A 85 -9.385 -1.678 7.220 1.00 0.00 H new ATOM 0 HA ASP A 85 -11.615 -0.389 6.311 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -11.791 -2.538 7.421 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -11.328 -1.837 8.959 1.00 0.00 H new ATOM 1026 N GLU A 86 -10.494 0.890 9.223 1.00 0.00 N ATOM 1027 CA GLU A 86 -10.548 2.117 10.012 1.00 0.00 C ATOM 1028 C GLU A 86 -10.198 3.298 9.139 1.00 0.00 C ATOM 1029 O GLU A 86 -10.939 4.263 9.188 1.00 0.00 O ATOM 1030 CB GLU A 86 -9.619 2.122 11.260 1.00 0.00 C ATOM 1031 CG GLU A 86 -10.262 1.364 12.454 1.00 0.00 C ATOM 1032 CD GLU A 86 -9.395 1.385 13.689 1.00 0.00 C ATOM 1033 OE1 GLU A 86 -8.167 1.647 13.571 1.00 0.00 O ATOM 1034 OE2 GLU A 86 -9.943 1.138 14.798 1.00 0.00 O ATOM 0 H GLU A 86 -9.897 0.153 9.599 1.00 0.00 H new ATOM 0 HA GLU A 86 -11.570 2.182 10.386 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -8.665 1.660 11.006 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -9.407 3.150 11.553 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -11.229 1.811 12.685 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -10.450 0.330 12.164 1.00 0.00 H new ATOM 1041 N TYR A 87 -9.102 3.261 8.348 1.00 0.00 N ATOM 1042 CA TYR A 87 -8.770 4.414 7.501 1.00 0.00 C ATOM 1043 C TYR A 87 -9.990 4.948 6.787 1.00 0.00 C ATOM 1044 O TYR A 87 -10.322 6.110 6.968 1.00 0.00 O ATOM 1045 CB TYR A 87 -7.661 4.104 6.446 1.00 0.00 C ATOM 1046 CG TYR A 87 -7.841 4.710 5.031 1.00 0.00 C ATOM 1047 CD1 TYR A 87 -8.116 6.068 4.828 1.00 0.00 C ATOM 1048 CD2 TYR A 87 -7.724 3.888 3.892 1.00 0.00 C ATOM 1049 CE1 TYR A 87 -8.235 6.599 3.540 1.00 0.00 C ATOM 1050 CE2 TYR A 87 -7.835 4.410 2.608 1.00 0.00 C ATOM 1051 CZ TYR A 87 -8.117 5.777 2.420 1.00 0.00 C ATOM 1052 OH TYR A 87 -8.283 6.319 1.142 1.00 0.00 O ATOM 0 H TYR A 87 -8.457 2.473 8.282 1.00 0.00 H new ATOM 0 HA TYR A 87 -8.383 5.169 8.185 1.00 0.00 H new ATOM 0 HB2 TYR A 87 -6.708 4.453 6.844 1.00 0.00 H new ATOM 0 HB3 TYR A 87 -7.586 3.021 6.343 1.00 0.00 H new ATOM 0 HD1 TYR A 87 -8.238 6.717 5.682 1.00 0.00 H new ATOM 0 HD2 TYR A 87 -7.544 2.831 4.019 1.00 0.00 H new ATOM 0 HE1 TYR A 87 -8.420 7.655 3.412 1.00 0.00 H new ATOM 0 HE2 TYR A 87 -7.704 3.765 1.752 1.00 0.00 H new ATOM 0 HH TYR A 87 -8.168 5.615 0.470 1.00 0.00 H new ATOM 1062 N ILE A 88 -10.663 4.122 5.957 1.00 0.00 N ATOM 1063 CA ILE A 88 -11.759 4.667 5.155 1.00 0.00 C ATOM 1064 C ILE A 88 -12.820 5.193 6.099 1.00 0.00 C ATOM 1065 O ILE A 88 -13.323 6.283 5.877 1.00 0.00 O ATOM 1066 CB ILE A 88 -12.387 3.679 4.121 1.00 0.00 C ATOM 1067 CG1 ILE A 88 -11.298 2.908 3.303 1.00 0.00 C ATOM 1068 CG2 ILE A 88 -13.329 4.456 3.156 1.00 0.00 C ATOM 1069 CD1 ILE A 88 -11.213 1.410 3.699 1.00 0.00 C ATOM 0 H ILE A 88 -10.475 3.127 5.833 1.00 0.00 H new ATOM 0 HA ILE A 88 -11.332 5.460 4.541 1.00 0.00 H new ATOM 0 HB ILE A 88 -12.959 2.937 4.679 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -11.522 2.988 2.239 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -10.328 3.379 3.461 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -13.765 3.763 2.436 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -14.125 4.932 3.729 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -12.758 5.218 2.626 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -10.443 0.919 3.103 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -10.962 1.327 4.756 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -12.174 0.930 3.516 1.00 0.00 H new ATOM 1081 N ARG A 89 -13.165 4.443 7.172 1.00 0.00 N ATOM 1082 CA ARG A 89 -14.175 4.941 8.108 1.00 0.00 C ATOM 1083 C ARG A 89 -13.701 6.206 8.809 1.00 0.00 C ATOM 1084 O ARG A 89 -14.525 7.031 9.169 1.00 0.00 O ATOM 1085 CB ARG A 89 -14.586 3.864 9.155 1.00 0.00 C ATOM 1086 CG ARG A 89 -15.011 2.514 8.496 1.00 0.00 C ATOM 1087 CD ARG A 89 -16.279 1.863 9.120 1.00 0.00 C ATOM 1088 NE ARG A 89 -16.185 1.836 10.584 1.00 0.00 N ATOM 1089 CZ ARG A 89 -16.816 2.660 11.410 1.00 0.00 C ATOM 1090 NH1 ARG A 89 -17.597 3.644 11.034 1.00 0.00 N ATOM 1091 NH2 ARG A 89 -16.642 2.480 12.702 1.00 0.00 N ATOM 0 H ARG A 89 -12.772 3.529 7.398 1.00 0.00 H new ATOM 0 HA ARG A 89 -15.058 5.181 7.516 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -13.752 3.686 9.833 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -15.411 4.245 9.757 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -15.190 2.683 7.434 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -14.182 1.810 8.572 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -17.165 2.421 8.818 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -16.397 0.848 8.740 1.00 0.00 H new ATOM 0 HE ARG A 89 -15.585 1.125 11.001 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -17.755 3.819 10.042 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -18.047 4.234 11.734 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -16.039 1.728 13.036 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -17.110 3.093 13.370 1.00 0.00 H new ATOM 1105 N ASN A 90 -12.372 6.375 9.005 1.00 0.00 N ATOM 1106 CA ASN A 90 -11.822 7.582 9.624 1.00 0.00 C ATOM 1107 C ASN A 90 -11.782 8.728 8.634 1.00 0.00 C ATOM 1108 O ASN A 90 -11.748 9.866 9.078 1.00 0.00 O ATOM 1109 CB ASN A 90 -10.377 7.308 10.133 1.00 0.00 C ATOM 1110 CG ASN A 90 -9.774 8.503 10.837 1.00 0.00 C ATOM 1111 OD1 ASN A 90 -8.974 9.203 10.234 1.00 0.00 O ATOM 1112 ND2 ASN A 90 -10.136 8.765 12.113 1.00 0.00 N ATOM 0 H ASN A 90 -11.669 5.685 8.740 1.00 0.00 H new ATOM 0 HA ASN A 90 -12.467 7.854 10.459 1.00 0.00 H new ATOM 0 HB2 ASN A 90 -10.391 6.458 10.815 1.00 0.00 H new ATOM 0 HB3 ASN A 90 -9.745 7.030 9.290 1.00 0.00 H new ATOM 0 HD21 ASN A 90 -9.739 9.567 12.601 1.00 0.00 H new ATOM 0 HD22 ASN A 90 -10.807 8.160 12.587 1.00 0.00 H new ATOM 1119 N PHE A 91 -11.780 8.450 7.306 1.00 0.00 N ATOM 1120 CA PHE A 91 -11.707 9.513 6.299 1.00 0.00 C ATOM 1121 C PHE A 91 -12.866 9.365 5.330 1.00 0.00 C ATOM 1122 O PHE A 91 -12.715 9.661 4.155 1.00 0.00 O ATOM 1123 CB PHE A 91 -10.310 9.412 5.612 1.00 0.00 C ATOM 1124 CG PHE A 91 -9.522 10.732 5.635 1.00 0.00 C ATOM 1125 CD1 PHE A 91 -10.036 11.881 5.022 1.00 0.00 C ATOM 1126 CD2 PHE A 91 -8.273 10.801 6.265 1.00 0.00 C ATOM 1127 CE1 PHE A 91 -9.286 13.062 4.994 1.00 0.00 C ATOM 1128 CE2 PHE A 91 -7.491 11.956 6.178 1.00 0.00 C ATOM 1129 CZ PHE A 91 -8.002 13.094 5.547 1.00 0.00 C ATOM 0 H PHE A 91 -11.828 7.507 6.921 1.00 0.00 H new ATOM 0 HA PHE A 91 -11.799 10.507 6.738 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -9.724 8.639 6.109 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -10.444 9.095 4.578 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -11.016 11.856 4.569 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -7.910 9.952 6.825 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -9.700 13.952 4.544 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -6.496 11.969 6.597 1.00 0.00 H new ATOM 0 HZ PHE A 91 -7.408 13.994 5.487 1.00 0.00 H new ATOM 1139 N GLY A 92 -14.043 8.901 5.815 1.00 0.00 N ATOM 1140 CA GLY A 92 -15.176 8.679 4.919 1.00 0.00 C ATOM 1141 C GLY A 92 -16.111 7.667 5.518 1.00 0.00 C ATOM 1142 O GLY A 92 -17.320 7.707 5.294 1.00 0.00 O ATOM 0 H GLY A 92 -14.219 8.682 6.795 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -15.704 9.617 4.746 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -14.821 8.330 3.949 1.00 0.00 H new TER 1146 GLY A 92