USER MOD reduce.3.24.130724 H: found=0, std=0, add=603, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 603 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 LYS N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot -169:sc= 1.25 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.106) USER MOD Single : A 13 TYR OH : rot -160:sc= 0.0831 USER MOD Single : A 16 LYS NZ :NH3+ -146:sc= 0.326 (180deg=0.0459) USER MOD Single : A 21 ASN : amide:sc= 0.856 K(o=0.86,f=-0.012) USER MOD Single : A 22 GLN : amide:sc= 1.08 K(o=1.1,f=-2.3!) USER MOD Single : A 24 SER OG : rot 53:sc= 1.16 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN : amide:sc= 1.95 K(o=2,f=-5.5!) USER MOD Single : A 34 THR OG1 : rot 80:sc= 1.23 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 176:sc= 0.842 (180deg=0.824) USER MOD Single : A 43 MET CE :methyl 167:sc= 0 (180deg=-0.287) USER MOD Single : A 44 SER OG : rot 180:sc= 0.123 USER MOD Single : A 45 THR OG1 : rot 132:sc= 1.4 USER MOD Single : A 55 LYS NZ :NH3+ 163:sc= 1.15 (180deg=0.807) USER MOD Single : A 62 SER OG : rot -77:sc= 1.56 USER MOD Single : A 67 GLN : amide:sc= -0.156 X(o=-0.16,f=-0.44) USER MOD Single : A 71 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0514) USER MOD Single : A 72 LYS NZ :NH3+ 178:sc= 0.779 (180deg=0.775) USER MOD Single : A 74 SER OG : rot 67:sc= 1.01 USER MOD Single : A 75 GLN : amide:sc= -0.265 X(o=-0.27,f=-0.27) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 1.875 2.702 -1.027 1.00 0.00 N ATOM 2 CA LYS A 1 3.104 1.918 -1.250 1.00 0.00 C ATOM 3 C LYS A 1 2.853 0.811 -2.275 1.00 0.00 C ATOM 4 O LYS A 1 3.306 0.902 -3.416 1.00 0.00 O ATOM 5 CB LYS A 1 3.639 1.364 0.079 1.00 0.00 C ATOM 6 CG LYS A 1 4.962 0.601 -0.105 1.00 0.00 C ATOM 7 CD LYS A 1 5.475 0.010 1.215 1.00 0.00 C ATOM 8 CE LYS A 1 4.616 -1.167 1.698 1.00 0.00 C ATOM 9 NZ LYS A 1 5.214 -1.814 2.879 1.00 0.00 N ATOM 0 H1 LYS A 1 2.062 3.450 -0.329 1.00 0.00 H new ATOM 0 H2 LYS A 1 1.571 3.134 -1.923 1.00 0.00 H new ATOM 0 H3 LYS A 1 1.124 2.077 -0.672 1.00 0.00 H new ATOM 0 HA LYS A 1 3.873 2.573 -1.660 1.00 0.00 H new ATOM 0 HB2 LYS A 1 3.789 2.185 0.780 1.00 0.00 H new ATOM 0 HB3 LYS A 1 2.896 0.700 0.520 1.00 0.00 H new ATOM 0 HG2 LYS A 1 4.820 -0.201 -0.830 1.00 0.00 H new ATOM 0 HG3 LYS A 1 5.714 1.274 -0.517 1.00 0.00 H new ATOM 0 HD2 LYS A 1 6.505 -0.323 1.086 1.00 0.00 H new ATOM 0 HD3 LYS A 1 5.485 0.787 1.979 1.00 0.00 H new ATOM 0 HE2 LYS A 1 3.614 -0.813 1.942 1.00 0.00 H new ATOM 0 HE3 LYS A 1 4.510 -1.897 0.895 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 4.612 -2.606 3.183 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 6.160 -2.172 2.637 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 5.292 -1.122 3.651 1.00 0.00 H new ATOM 25 N SER A 2 2.126 -0.234 -1.869 1.00 0.00 N ATOM 26 CA SER A 2 1.964 -1.457 -2.633 1.00 0.00 C ATOM 27 C SER A 2 1.586 -1.209 -4.098 1.00 0.00 C ATOM 28 O SER A 2 2.262 -1.744 -4.970 1.00 0.00 O ATOM 29 CB SER A 2 1.013 -2.410 -1.904 1.00 0.00 C ATOM 30 OG SER A 2 1.133 -2.205 -0.505 1.00 0.00 O ATOM 0 H SER A 2 1.626 -0.245 -0.980 1.00 0.00 H new ATOM 0 HA SER A 2 2.935 -1.948 -2.694 1.00 0.00 H new ATOM 0 HB2 SER A 2 -0.014 -2.233 -2.223 1.00 0.00 H new ATOM 0 HB3 SER A 2 1.251 -3.444 -2.154 1.00 0.00 H new ATOM 0 HG SER A 2 0.663 -2.921 -0.028 1.00 0.00 H new ATOM 36 N PRO A 3 0.568 -0.387 -4.409 1.00 0.00 N ATOM 37 CA PRO A 3 0.237 -0.065 -5.789 1.00 0.00 C ATOM 38 C PRO A 3 1.467 0.352 -6.600 1.00 0.00 C ATOM 39 O PRO A 3 1.692 -0.157 -7.696 1.00 0.00 O ATOM 40 CB PRO A 3 -0.803 1.057 -5.708 1.00 0.00 C ATOM 41 CG PRO A 3 -1.488 0.790 -4.370 1.00 0.00 C ATOM 42 CD PRO A 3 -0.314 0.339 -3.504 1.00 0.00 C ATOM 0 HA PRO A 3 -0.155 -0.937 -6.314 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -0.337 2.042 -5.734 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -1.508 1.015 -6.538 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -1.971 1.683 -3.972 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -2.256 0.021 -4.450 1.00 0.00 H new ATOM 0 HD2 PRO A 3 0.196 1.192 -3.056 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -0.650 -0.298 -2.685 1.00 0.00 H new ATOM 50 N GLU A 4 2.280 1.257 -6.046 1.00 0.00 N ATOM 51 CA GLU A 4 3.464 1.767 -6.715 1.00 0.00 C ATOM 52 C GLU A 4 4.528 0.678 -6.813 1.00 0.00 C ATOM 53 O GLU A 4 5.150 0.520 -7.861 1.00 0.00 O ATOM 54 CB GLU A 4 3.972 3.014 -5.979 1.00 0.00 C ATOM 55 CG GLU A 4 5.099 3.714 -6.751 1.00 0.00 C ATOM 56 CD GLU A 4 5.555 4.975 -6.025 1.00 0.00 C ATOM 57 OE1 GLU A 4 6.376 4.826 -5.093 1.00 0.00 O ATOM 58 OE2 GLU A 4 5.062 6.059 -6.402 1.00 0.00 O ATOM 0 H GLU A 4 2.128 1.653 -5.118 1.00 0.00 H new ATOM 0 HA GLU A 4 3.216 2.061 -7.735 1.00 0.00 H new ATOM 0 HB2 GLU A 4 3.146 3.710 -5.831 1.00 0.00 H new ATOM 0 HB3 GLU A 4 4.331 2.731 -4.990 1.00 0.00 H new ATOM 0 HG2 GLU A 4 5.942 3.033 -6.869 1.00 0.00 H new ATOM 0 HG3 GLU A 4 4.754 3.971 -7.753 1.00 0.00 H new ATOM 65 N GLU A 5 4.736 -0.080 -5.732 1.00 0.00 N ATOM 66 CA GLU A 5 5.684 -1.186 -5.730 1.00 0.00 C ATOM 67 C GLU A 5 5.357 -2.151 -6.874 1.00 0.00 C ATOM 68 O GLU A 5 6.206 -2.451 -7.716 1.00 0.00 O ATOM 69 CB GLU A 5 5.657 -1.882 -4.359 1.00 0.00 C ATOM 70 CG GLU A 5 6.666 -3.035 -4.242 1.00 0.00 C ATOM 71 CD GLU A 5 8.106 -2.566 -4.421 1.00 0.00 C ATOM 72 OE1 GLU A 5 8.567 -1.812 -3.538 1.00 0.00 O ATOM 73 OE2 GLU A 5 8.712 -2.960 -5.440 1.00 0.00 O ATOM 0 H GLU A 5 4.254 0.058 -4.844 1.00 0.00 H new ATOM 0 HA GLU A 5 6.696 -0.815 -5.895 1.00 0.00 H new ATOM 0 HB2 GLU A 5 5.865 -1.146 -3.582 1.00 0.00 H new ATOM 0 HB3 GLU A 5 4.654 -2.266 -4.174 1.00 0.00 H new ATOM 0 HG2 GLU A 5 6.560 -3.510 -3.267 1.00 0.00 H new ATOM 0 HG3 GLU A 5 6.437 -3.792 -4.992 1.00 0.00 H new ATOM 80 N LEU A 6 4.108 -2.626 -6.916 1.00 0.00 N ATOM 81 CA LEU A 6 3.710 -3.581 -7.935 1.00 0.00 C ATOM 82 C LEU A 6 3.703 -2.926 -9.311 1.00 0.00 C ATOM 83 O LEU A 6 4.047 -3.598 -10.278 1.00 0.00 O ATOM 84 CB LEU A 6 2.381 -4.292 -7.637 1.00 0.00 C ATOM 85 CG LEU A 6 2.384 -5.310 -6.480 1.00 0.00 C ATOM 86 CD1 LEU A 6 3.673 -6.131 -6.380 1.00 0.00 C ATOM 87 CD2 LEU A 6 2.098 -4.684 -5.118 1.00 0.00 C ATOM 0 H LEU A 6 3.370 -2.365 -6.262 1.00 0.00 H new ATOM 0 HA LEU A 6 4.462 -4.370 -7.926 1.00 0.00 H new ATOM 0 HB2 LEU A 6 1.630 -3.532 -7.420 1.00 0.00 H new ATOM 0 HB3 LEU A 6 2.060 -4.807 -8.542 1.00 0.00 H new ATOM 0 HG LEU A 6 1.565 -5.981 -6.740 1.00 0.00 H new ATOM 0 HD11 LEU A 6 3.599 -6.824 -5.542 1.00 0.00 H new ATOM 0 HD12 LEU A 6 3.820 -6.692 -7.303 1.00 0.00 H new ATOM 0 HD13 LEU A 6 4.519 -5.462 -6.223 1.00 0.00 H new ATOM 0 HD21 LEU A 6 2.116 -5.458 -4.351 1.00 0.00 H new ATOM 0 HD22 LEU A 6 2.858 -3.935 -4.895 1.00 0.00 H new ATOM 0 HD23 LEU A 6 1.116 -4.211 -5.134 1.00 0.00 H new ATOM 99 N LYS A 7 3.350 -1.642 -9.431 1.00 0.00 N ATOM 100 CA LYS A 7 3.482 -0.939 -10.701 1.00 0.00 C ATOM 101 C LYS A 7 4.929 -0.977 -11.187 1.00 0.00 C ATOM 102 O LYS A 7 5.177 -1.322 -12.338 1.00 0.00 O ATOM 103 CB LYS A 7 2.982 0.505 -10.590 1.00 0.00 C ATOM 104 CG LYS A 7 2.861 1.144 -11.979 1.00 0.00 C ATOM 105 CD LYS A 7 2.304 2.565 -11.867 1.00 0.00 C ATOM 106 CE LYS A 7 2.159 3.176 -13.265 1.00 0.00 C ATOM 107 NZ LYS A 7 1.624 4.546 -13.201 1.00 0.00 N ATOM 0 H LYS A 7 2.975 -1.077 -8.669 1.00 0.00 H new ATOM 0 HA LYS A 7 2.859 -1.450 -11.435 1.00 0.00 H new ATOM 0 HB2 LYS A 7 2.013 0.523 -10.090 1.00 0.00 H new ATOM 0 HB3 LYS A 7 3.669 1.087 -9.975 1.00 0.00 H new ATOM 0 HG2 LYS A 7 3.838 1.167 -12.462 1.00 0.00 H new ATOM 0 HG3 LYS A 7 2.208 0.539 -12.609 1.00 0.00 H new ATOM 0 HD2 LYS A 7 1.337 2.548 -11.365 1.00 0.00 H new ATOM 0 HD3 LYS A 7 2.968 3.179 -11.259 1.00 0.00 H new ATOM 0 HE2 LYS A 7 3.129 3.186 -13.762 1.00 0.00 H new ATOM 0 HE3 LYS A 7 1.498 2.554 -13.869 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 1.538 4.930 -14.163 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 0.688 4.532 -12.749 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 2.268 5.145 -12.645 1.00 0.00 H new ATOM 121 N GLY A 8 5.879 -0.617 -10.321 1.00 0.00 N ATOM 122 CA GLY A 8 7.295 -0.597 -10.650 1.00 0.00 C ATOM 123 C GLY A 8 7.754 -1.972 -11.123 1.00 0.00 C ATOM 124 O GLY A 8 8.304 -2.108 -12.214 1.00 0.00 O ATOM 0 H GLY A 8 5.679 -0.329 -9.363 1.00 0.00 H new ATOM 0 HA2 GLY A 8 7.483 0.143 -11.428 1.00 0.00 H new ATOM 0 HA3 GLY A 8 7.873 -0.295 -9.777 1.00 0.00 H new ATOM 128 N ILE A 9 7.495 -2.999 -10.312 1.00 0.00 N ATOM 129 CA ILE A 9 7.755 -4.385 -10.686 1.00 0.00 C ATOM 130 C ILE A 9 7.158 -4.657 -12.070 1.00 0.00 C ATOM 131 O ILE A 9 7.878 -4.953 -13.025 1.00 0.00 O ATOM 132 CB ILE A 9 7.192 -5.297 -9.572 1.00 0.00 C ATOM 133 CG1 ILE A 9 8.182 -5.357 -8.400 1.00 0.00 C ATOM 134 CG2 ILE A 9 6.774 -6.704 -10.012 1.00 0.00 C ATOM 135 CD1 ILE A 9 7.575 -6.054 -7.180 1.00 0.00 C ATOM 0 H ILE A 9 7.099 -2.891 -9.378 1.00 0.00 H new ATOM 0 HA ILE A 9 8.822 -4.594 -10.770 1.00 0.00 H new ATOM 0 HB ILE A 9 6.257 -4.830 -9.262 1.00 0.00 H new ATOM 0 HG12 ILE A 9 9.082 -5.887 -8.711 1.00 0.00 H new ATOM 0 HG13 ILE A 9 8.485 -4.346 -8.128 1.00 0.00 H new ATOM 0 HG21 ILE A 9 6.394 -7.256 -9.152 1.00 0.00 H new ATOM 0 HG22 ILE A 9 5.994 -6.632 -10.770 1.00 0.00 H new ATOM 0 HG23 ILE A 9 7.636 -7.226 -10.427 1.00 0.00 H new ATOM 0 HD11 ILE A 9 8.307 -6.076 -6.372 1.00 0.00 H new ATOM 0 HD12 ILE A 9 6.690 -5.509 -6.853 1.00 0.00 H new ATOM 0 HD13 ILE A 9 7.296 -7.074 -7.445 1.00 0.00 H new ATOM 147 N PHE A 10 5.836 -4.527 -12.169 1.00 0.00 N ATOM 148 CA PHE A 10 5.061 -4.789 -13.368 1.00 0.00 C ATOM 149 C PHE A 10 5.715 -4.154 -14.599 1.00 0.00 C ATOM 150 O PHE A 10 6.029 -4.853 -15.564 1.00 0.00 O ATOM 151 CB PHE A 10 3.624 -4.297 -13.141 1.00 0.00 C ATOM 152 CG PHE A 10 2.767 -4.295 -14.381 1.00 0.00 C ATOM 153 CD1 PHE A 10 2.057 -5.448 -14.754 1.00 0.00 C ATOM 154 CD2 PHE A 10 2.811 -3.188 -15.246 1.00 0.00 C ATOM 155 CE1 PHE A 10 1.443 -5.516 -16.012 1.00 0.00 C ATOM 156 CE2 PHE A 10 2.263 -3.289 -16.529 1.00 0.00 C ATOM 157 CZ PHE A 10 1.582 -4.453 -16.913 1.00 0.00 C ATOM 0 H PHE A 10 5.259 -4.225 -11.384 1.00 0.00 H new ATOM 0 HA PHE A 10 5.032 -5.860 -13.567 1.00 0.00 H new ATOM 0 HB2 PHE A 10 3.151 -4.927 -12.388 1.00 0.00 H new ATOM 0 HB3 PHE A 10 3.658 -3.286 -12.735 1.00 0.00 H new ATOM 0 HD1 PHE A 10 1.984 -6.282 -14.072 1.00 0.00 H new ATOM 0 HD2 PHE A 10 3.266 -2.264 -14.922 1.00 0.00 H new ATOM 0 HE1 PHE A 10 0.864 -6.386 -16.286 1.00 0.00 H new ATOM 0 HE2 PHE A 10 2.365 -2.469 -17.225 1.00 0.00 H new ATOM 0 HZ PHE A 10 1.164 -4.530 -17.906 1.00 0.00 H new ATOM 167 N GLU A 11 5.933 -2.835 -14.574 1.00 0.00 N ATOM 168 CA GLU A 11 6.443 -2.127 -15.733 1.00 0.00 C ATOM 169 C GLU A 11 7.871 -2.561 -16.062 1.00 0.00 C ATOM 170 O GLU A 11 8.217 -2.651 -17.238 1.00 0.00 O ATOM 171 CB GLU A 11 6.284 -0.608 -15.582 1.00 0.00 C ATOM 172 CG GLU A 11 7.232 0.025 -14.557 1.00 0.00 C ATOM 173 CD GLU A 11 6.932 1.499 -14.297 1.00 0.00 C ATOM 174 OE1 GLU A 11 5.756 1.892 -14.463 1.00 0.00 O ATOM 175 OE2 GLU A 11 7.892 2.207 -13.924 1.00 0.00 O ATOM 0 H GLU A 11 5.762 -2.244 -13.760 1.00 0.00 H new ATOM 0 HA GLU A 11 5.837 -2.402 -16.596 1.00 0.00 H new ATOM 0 HB2 GLU A 11 6.450 -0.139 -16.552 1.00 0.00 H new ATOM 0 HB3 GLU A 11 5.256 -0.389 -15.293 1.00 0.00 H new ATOM 0 HG2 GLU A 11 7.163 -0.525 -13.618 1.00 0.00 H new ATOM 0 HG3 GLU A 11 8.258 -0.074 -14.910 1.00 0.00 H new ATOM 182 N LYS A 12 8.705 -2.845 -15.053 1.00 0.00 N ATOM 183 CA LYS A 12 10.052 -3.332 -15.322 1.00 0.00 C ATOM 184 C LYS A 12 9.987 -4.688 -16.032 1.00 0.00 C ATOM 185 O LYS A 12 10.632 -4.881 -17.059 1.00 0.00 O ATOM 186 CB LYS A 12 10.879 -3.393 -14.030 1.00 0.00 C ATOM 187 CG LYS A 12 11.175 -1.996 -13.460 1.00 0.00 C ATOM 188 CD LYS A 12 12.265 -1.251 -14.245 1.00 0.00 C ATOM 189 CE LYS A 12 12.579 0.108 -13.606 1.00 0.00 C ATOM 190 NZ LYS A 12 11.417 1.016 -13.637 1.00 0.00 N ATOM 0 H LYS A 12 8.472 -2.747 -14.065 1.00 0.00 H new ATOM 0 HA LYS A 12 10.558 -2.633 -15.988 1.00 0.00 H new ATOM 0 HB2 LYS A 12 10.342 -3.981 -13.285 1.00 0.00 H new ATOM 0 HB3 LYS A 12 11.819 -3.909 -14.227 1.00 0.00 H new ATOM 0 HG2 LYS A 12 10.260 -1.404 -13.468 1.00 0.00 H new ATOM 0 HG3 LYS A 12 11.484 -2.091 -12.419 1.00 0.00 H new ATOM 0 HD2 LYS A 12 13.170 -1.857 -14.280 1.00 0.00 H new ATOM 0 HD3 LYS A 12 11.939 -1.105 -15.275 1.00 0.00 H new ATOM 0 HE2 LYS A 12 12.895 -0.041 -12.573 1.00 0.00 H new ATOM 0 HE3 LYS A 12 13.415 0.571 -14.131 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 11.712 1.967 -13.337 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 11.036 1.060 -14.604 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 10.682 0.662 -12.992 1.00 0.00 H new ATOM 204 N TYR A 13 9.200 -5.630 -15.511 1.00 0.00 N ATOM 205 CA TYR A 13 9.026 -6.929 -16.147 1.00 0.00 C ATOM 206 C TYR A 13 8.498 -6.784 -17.574 1.00 0.00 C ATOM 207 O TYR A 13 9.088 -7.303 -18.518 1.00 0.00 O ATOM 208 CB TYR A 13 8.123 -7.798 -15.276 1.00 0.00 C ATOM 209 CG TYR A 13 8.895 -8.509 -14.190 1.00 0.00 C ATOM 210 CD1 TYR A 13 9.652 -9.647 -14.513 1.00 0.00 C ATOM 211 CD2 TYR A 13 8.837 -8.067 -12.861 1.00 0.00 C ATOM 212 CE1 TYR A 13 10.317 -10.355 -13.504 1.00 0.00 C ATOM 213 CE2 TYR A 13 9.553 -8.739 -11.858 1.00 0.00 C ATOM 214 CZ TYR A 13 10.279 -9.899 -12.176 1.00 0.00 C ATOM 215 OH TYR A 13 10.863 -10.629 -11.187 1.00 0.00 O ATOM 0 H TYR A 13 8.672 -5.513 -14.646 1.00 0.00 H new ATOM 0 HA TYR A 13 9.994 -7.423 -16.234 1.00 0.00 H new ATOM 0 HB2 TYR A 13 7.350 -7.177 -14.823 1.00 0.00 H new ATOM 0 HB3 TYR A 13 7.616 -8.533 -15.901 1.00 0.00 H new ATOM 0 HD1 TYR A 13 9.721 -9.976 -15.539 1.00 0.00 H new ATOM 0 HD2 TYR A 13 8.238 -7.205 -12.607 1.00 0.00 H new ATOM 0 HE1 TYR A 13 10.861 -11.255 -13.748 1.00 0.00 H new ATOM 0 HE2 TYR A 13 9.546 -8.365 -10.845 1.00 0.00 H new ATOM 0 HH TYR A 13 10.494 -10.360 -10.320 1.00 0.00 H new ATOM 225 N ALA A 14 7.401 -6.052 -17.741 1.00 0.00 N ATOM 226 CA ALA A 14 6.874 -5.701 -19.050 1.00 0.00 C ATOM 227 C ALA A 14 7.998 -5.220 -19.973 1.00 0.00 C ATOM 228 O ALA A 14 8.258 -5.820 -21.015 1.00 0.00 O ATOM 229 CB ALA A 14 5.792 -4.640 -18.871 1.00 0.00 C ATOM 0 H ALA A 14 6.851 -5.684 -16.965 1.00 0.00 H new ATOM 0 HA ALA A 14 6.432 -6.578 -19.524 1.00 0.00 H new ATOM 0 HB1 ALA A 14 5.386 -4.366 -19.845 1.00 0.00 H new ATOM 0 HB2 ALA A 14 4.993 -5.037 -18.244 1.00 0.00 H new ATOM 0 HB3 ALA A 14 6.222 -3.758 -18.396 1.00 0.00 H new ATOM 235 N ALA A 15 8.714 -4.175 -19.557 1.00 0.00 N ATOM 236 CA ALA A 15 9.852 -3.643 -20.294 1.00 0.00 C ATOM 237 C ALA A 15 10.920 -4.706 -20.578 1.00 0.00 C ATOM 238 O ALA A 15 11.550 -4.653 -21.633 1.00 0.00 O ATOM 239 CB ALA A 15 10.447 -2.447 -19.545 1.00 0.00 C ATOM 0 H ALA A 15 8.516 -3.673 -18.692 1.00 0.00 H new ATOM 0 HA ALA A 15 9.488 -3.310 -21.266 1.00 0.00 H new ATOM 0 HB1 ALA A 15 11.298 -2.055 -20.103 1.00 0.00 H new ATOM 0 HB2 ALA A 15 9.691 -1.669 -19.443 1.00 0.00 H new ATOM 0 HB3 ALA A 15 10.777 -2.765 -18.556 1.00 0.00 H new ATOM 245 N LYS A 16 11.138 -5.670 -19.675 1.00 0.00 N ATOM 246 CA LYS A 16 12.096 -6.746 -19.911 1.00 0.00 C ATOM 247 C LYS A 16 11.610 -7.644 -21.050 1.00 0.00 C ATOM 248 O LYS A 16 12.423 -8.115 -21.841 1.00 0.00 O ATOM 249 CB LYS A 16 12.369 -7.541 -18.625 1.00 0.00 C ATOM 250 CG LYS A 16 13.258 -6.748 -17.658 1.00 0.00 C ATOM 251 CD LYS A 16 13.176 -7.272 -16.217 1.00 0.00 C ATOM 252 CE LYS A 16 13.415 -8.784 -16.118 1.00 0.00 C ATOM 253 NZ LYS A 16 13.381 -9.238 -14.717 1.00 0.00 N ATOM 0 H LYS A 16 10.661 -5.723 -18.775 1.00 0.00 H new ATOM 0 HA LYS A 16 13.047 -6.307 -20.214 1.00 0.00 H new ATOM 0 HB2 LYS A 16 11.425 -7.784 -18.138 1.00 0.00 H new ATOM 0 HB3 LYS A 16 12.852 -8.486 -18.874 1.00 0.00 H new ATOM 0 HG2 LYS A 16 14.292 -6.795 -18.000 1.00 0.00 H new ATOM 0 HG3 LYS A 16 12.963 -5.699 -17.677 1.00 0.00 H new ATOM 0 HD2 LYS A 16 13.912 -6.752 -15.604 1.00 0.00 H new ATOM 0 HD3 LYS A 16 12.195 -7.036 -15.805 1.00 0.00 H new ATOM 0 HE2 LYS A 16 12.655 -9.313 -16.693 1.00 0.00 H new ATOM 0 HE3 LYS A 16 14.380 -9.032 -16.560 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 14.056 -10.019 -14.589 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 13.641 -8.450 -14.090 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 12.423 -9.566 -14.482 1.00 0.00 H new ATOM 267 N GLU A 17 10.295 -7.867 -21.159 1.00 0.00 N ATOM 268 CA GLU A 17 9.740 -8.516 -22.340 1.00 0.00 C ATOM 269 C GLU A 17 9.977 -7.623 -23.562 1.00 0.00 C ATOM 270 O GLU A 17 10.452 -8.085 -24.598 1.00 0.00 O ATOM 271 CB GLU A 17 8.243 -8.795 -22.156 1.00 0.00 C ATOM 272 CG GLU A 17 7.724 -9.743 -23.244 1.00 0.00 C ATOM 273 CD GLU A 17 6.209 -9.892 -23.185 1.00 0.00 C ATOM 274 OE1 GLU A 17 5.669 -9.807 -22.062 1.00 0.00 O ATOM 275 OE2 GLU A 17 5.612 -10.096 -24.263 1.00 0.00 O ATOM 0 H GLU A 17 9.608 -7.609 -20.451 1.00 0.00 H new ATOM 0 HA GLU A 17 10.238 -9.474 -22.490 1.00 0.00 H new ATOM 0 HB2 GLU A 17 8.069 -9.233 -21.173 1.00 0.00 H new ATOM 0 HB3 GLU A 17 7.688 -7.858 -22.190 1.00 0.00 H new ATOM 0 HG2 GLU A 17 8.015 -9.366 -24.224 1.00 0.00 H new ATOM 0 HG3 GLU A 17 8.191 -10.721 -23.128 1.00 0.00 H new ATOM 282 N GLY A 18 9.607 -6.346 -23.440 1.00 0.00 N ATOM 283 CA GLY A 18 9.776 -5.341 -24.477 1.00 0.00 C ATOM 284 C GLY A 18 8.668 -4.297 -24.388 1.00 0.00 C ATOM 285 O GLY A 18 8.932 -3.097 -24.413 1.00 0.00 O ATOM 0 H GLY A 18 9.171 -5.979 -22.594 1.00 0.00 H new ATOM 0 HA2 GLY A 18 10.748 -4.859 -24.371 1.00 0.00 H new ATOM 0 HA3 GLY A 18 9.760 -5.815 -25.458 1.00 0.00 H new ATOM 289 N ASP A 19 7.413 -4.751 -24.299 1.00 0.00 N ATOM 290 CA ASP A 19 6.267 -3.854 -24.206 1.00 0.00 C ATOM 291 C ASP A 19 6.405 -2.991 -22.945 1.00 0.00 C ATOM 292 O ASP A 19 6.624 -3.541 -21.872 1.00 0.00 O ATOM 293 CB ASP A 19 4.967 -4.668 -24.173 1.00 0.00 C ATOM 294 CG ASP A 19 3.740 -3.758 -24.200 1.00 0.00 C ATOM 295 OD1 ASP A 19 3.543 -3.033 -23.201 1.00 0.00 O ATOM 296 OD2 ASP A 19 3.031 -3.785 -25.228 1.00 0.00 O ATOM 0 H ASP A 19 7.169 -5.741 -24.290 1.00 0.00 H new ATOM 0 HA ASP A 19 6.235 -3.201 -25.078 1.00 0.00 H new ATOM 0 HB2 ASP A 19 4.938 -5.346 -25.026 1.00 0.00 H new ATOM 0 HB3 ASP A 19 4.945 -5.285 -23.275 1.00 0.00 H new ATOM 301 N PRO A 20 6.265 -1.659 -23.022 1.00 0.00 N ATOM 302 CA PRO A 20 6.528 -0.787 -21.887 1.00 0.00 C ATOM 303 C PRO A 20 5.539 -0.957 -20.726 1.00 0.00 C ATOM 304 O PRO A 20 5.791 -0.429 -19.641 1.00 0.00 O ATOM 305 CB PRO A 20 6.498 0.636 -22.456 1.00 0.00 C ATOM 306 CG PRO A 20 5.591 0.511 -23.680 1.00 0.00 C ATOM 307 CD PRO A 20 5.926 -0.884 -24.203 1.00 0.00 C ATOM 0 HA PRO A 20 7.490 -1.036 -21.438 1.00 0.00 H new ATOM 0 HB2 PRO A 20 6.101 1.349 -21.733 1.00 0.00 H new ATOM 0 HB3 PRO A 20 7.495 0.980 -22.729 1.00 0.00 H new ATOM 0 HG2 PRO A 20 4.538 0.602 -23.415 1.00 0.00 H new ATOM 0 HG3 PRO A 20 5.801 1.283 -24.421 1.00 0.00 H new ATOM 0 HD2 PRO A 20 5.079 -1.321 -24.732 1.00 0.00 H new ATOM 0 HD3 PRO A 20 6.758 -0.852 -24.906 1.00 0.00 H new ATOM 315 N ASN A 21 4.398 -1.635 -20.919 1.00 0.00 N ATOM 316 CA ASN A 21 3.412 -1.738 -19.848 1.00 0.00 C ATOM 317 C ASN A 21 2.434 -2.903 -20.026 1.00 0.00 C ATOM 318 O ASN A 21 1.253 -2.767 -19.704 1.00 0.00 O ATOM 319 CB ASN A 21 2.694 -0.381 -19.680 1.00 0.00 C ATOM 320 CG ASN A 21 2.694 0.065 -18.224 1.00 0.00 C ATOM 321 OD1 ASN A 21 1.656 0.135 -17.575 1.00 0.00 O ATOM 322 ND2 ASN A 21 3.880 0.364 -17.704 1.00 0.00 N ATOM 0 H ASN A 21 4.144 -2.108 -21.787 1.00 0.00 H new ATOM 0 HA ASN A 21 3.944 -1.972 -18.926 1.00 0.00 H new ATOM 0 HB2 ASN A 21 3.187 0.373 -20.294 1.00 0.00 H new ATOM 0 HB3 ASN A 21 1.668 -0.463 -20.038 1.00 0.00 H new ATOM 0 HD21 ASN A 21 3.949 0.664 -16.732 1.00 0.00 H new ATOM 0 HD22 ASN A 21 4.721 0.293 -18.277 1.00 0.00 H new ATOM 329 N GLN A 22 2.907 -4.060 -20.504 1.00 0.00 N ATOM 330 CA GLN A 22 2.065 -5.227 -20.704 1.00 0.00 C ATOM 331 C GLN A 22 2.878 -6.524 -20.580 1.00 0.00 C ATOM 332 O GLN A 22 3.988 -6.593 -21.101 1.00 0.00 O ATOM 333 CB GLN A 22 1.336 -5.069 -22.046 1.00 0.00 C ATOM 334 CG GLN A 22 -0.035 -5.738 -22.000 1.00 0.00 C ATOM 335 CD GLN A 22 -1.079 -5.022 -22.851 1.00 0.00 C ATOM 336 OE1 GLN A 22 -2.097 -4.572 -22.339 1.00 0.00 O ATOM 337 NE2 GLN A 22 -0.835 -4.877 -24.147 1.00 0.00 N ATOM 0 H GLN A 22 3.884 -4.205 -20.760 1.00 0.00 H new ATOM 0 HA GLN A 22 1.309 -5.300 -19.922 1.00 0.00 H new ATOM 0 HB2 GLN A 22 1.222 -4.011 -22.280 1.00 0.00 H new ATOM 0 HB3 GLN A 22 1.934 -5.509 -22.844 1.00 0.00 H new ATOM 0 HG2 GLN A 22 0.059 -6.769 -22.342 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -0.380 -5.775 -20.967 1.00 0.00 H new ATOM 0 HE21 GLN A 22 0.020 -5.260 -24.551 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -1.502 -4.382 -24.739 1.00 0.00 H new ATOM 346 N LEU A 23 2.348 -7.526 -19.861 1.00 0.00 N ATOM 347 CA LEU A 23 3.037 -8.778 -19.536 1.00 0.00 C ATOM 348 C LEU A 23 2.427 -9.945 -20.317 1.00 0.00 C ATOM 349 O LEU A 23 1.324 -10.380 -19.990 1.00 0.00 O ATOM 350 CB LEU A 23 2.870 -9.110 -18.042 1.00 0.00 C ATOM 351 CG LEU A 23 3.406 -8.085 -17.040 1.00 0.00 C ATOM 352 CD1 LEU A 23 2.947 -8.503 -15.645 1.00 0.00 C ATOM 353 CD2 LEU A 23 4.924 -8.028 -16.993 1.00 0.00 C ATOM 0 H LEU A 23 1.402 -7.483 -19.481 1.00 0.00 H new ATOM 0 HA LEU A 23 4.088 -8.645 -19.793 1.00 0.00 H new ATOM 0 HB2 LEU A 23 1.808 -9.255 -17.844 1.00 0.00 H new ATOM 0 HB3 LEU A 23 3.363 -10.063 -17.849 1.00 0.00 H new ATOM 0 HG LEU A 23 3.032 -7.110 -17.352 1.00 0.00 H new ATOM 0 HD11 LEU A 23 3.317 -7.787 -14.911 1.00 0.00 H new ATOM 0 HD12 LEU A 23 1.858 -8.527 -15.612 1.00 0.00 H new ATOM 0 HD13 LEU A 23 3.338 -9.494 -15.415 1.00 0.00 H new ATOM 0 HD21 LEU A 23 5.238 -7.282 -16.263 1.00 0.00 H new ATOM 0 HD22 LEU A 23 5.316 -9.004 -16.706 1.00 0.00 H new ATOM 0 HD23 LEU A 23 5.309 -7.758 -17.976 1.00 0.00 H new ATOM 365 N SER A 24 3.121 -10.503 -21.310 1.00 0.00 N ATOM 366 CA SER A 24 2.665 -11.753 -21.907 1.00 0.00 C ATOM 367 C SER A 24 2.856 -12.914 -20.938 1.00 0.00 C ATOM 368 O SER A 24 3.560 -12.778 -19.941 1.00 0.00 O ATOM 369 CB SER A 24 3.279 -12.009 -23.286 1.00 0.00 C ATOM 370 OG SER A 24 2.520 -13.008 -23.946 1.00 0.00 O ATOM 0 H SER A 24 3.978 -10.120 -21.708 1.00 0.00 H new ATOM 0 HA SER A 24 1.595 -11.661 -22.091 1.00 0.00 H new ATOM 0 HB2 SER A 24 3.285 -11.090 -23.873 1.00 0.00 H new ATOM 0 HB3 SER A 24 4.316 -12.329 -23.184 1.00 0.00 H new ATOM 0 HG SER A 24 1.573 -12.754 -23.944 1.00 0.00 H new ATOM 376 N LYS A 25 2.217 -14.046 -21.243 1.00 0.00 N ATOM 377 CA LYS A 25 2.187 -15.265 -20.437 1.00 0.00 C ATOM 378 C LYS A 25 3.521 -15.551 -19.772 1.00 0.00 C ATOM 379 O LYS A 25 3.570 -15.783 -18.571 1.00 0.00 O ATOM 380 CB LYS A 25 1.816 -16.472 -21.300 1.00 0.00 C ATOM 381 CG LYS A 25 0.399 -16.398 -21.878 1.00 0.00 C ATOM 382 CD LYS A 25 0.014 -17.674 -22.637 1.00 0.00 C ATOM 383 CE LYS A 25 0.875 -17.890 -23.888 1.00 0.00 C ATOM 384 NZ LYS A 25 0.381 -19.026 -24.687 1.00 0.00 N ATOM 0 H LYS A 25 1.679 -14.140 -22.104 1.00 0.00 H new ATOM 0 HA LYS A 25 1.437 -15.101 -19.663 1.00 0.00 H new ATOM 0 HB2 LYS A 25 2.530 -16.556 -22.119 1.00 0.00 H new ATOM 0 HB3 LYS A 25 1.909 -17.379 -20.702 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -0.313 -16.230 -21.070 1.00 0.00 H new ATOM 0 HG3 LYS A 25 0.327 -15.542 -22.549 1.00 0.00 H new ATOM 0 HD2 LYS A 25 0.118 -18.533 -21.975 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -1.036 -17.619 -22.926 1.00 0.00 H new ATOM 0 HE2 LYS A 25 0.871 -16.985 -24.496 1.00 0.00 H new ATOM 0 HE3 LYS A 25 1.909 -18.071 -23.594 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 0.983 -19.148 -25.526 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 0.409 -19.892 -24.113 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -0.597 -18.840 -24.987 1.00 0.00 H new ATOM 398 N GLU A 26 4.603 -15.548 -20.545 1.00 0.00 N ATOM 399 CA GLU A 26 5.918 -15.865 -20.025 1.00 0.00 C ATOM 400 C GLU A 26 6.368 -14.811 -19.015 1.00 0.00 C ATOM 401 O GLU A 26 6.952 -15.158 -17.989 1.00 0.00 O ATOM 402 CB GLU A 26 6.922 -16.026 -21.171 1.00 0.00 C ATOM 403 CG GLU A 26 6.587 -17.248 -22.043 1.00 0.00 C ATOM 404 CD GLU A 26 5.386 -17.064 -22.972 1.00 0.00 C ATOM 405 OE1 GLU A 26 5.044 -15.893 -23.252 1.00 0.00 O ATOM 406 OE2 GLU A 26 4.813 -18.101 -23.368 1.00 0.00 O ATOM 0 H GLU A 26 4.588 -15.327 -21.541 1.00 0.00 H new ATOM 0 HA GLU A 26 5.868 -16.817 -19.497 1.00 0.00 H new ATOM 0 HB2 GLU A 26 6.921 -15.127 -21.787 1.00 0.00 H new ATOM 0 HB3 GLU A 26 7.927 -16.132 -20.764 1.00 0.00 H new ATOM 0 HG2 GLU A 26 7.460 -17.496 -22.646 1.00 0.00 H new ATOM 0 HG3 GLU A 26 6.397 -18.101 -21.391 1.00 0.00 H new ATOM 413 N GLU A 27 6.082 -13.531 -19.280 1.00 0.00 N ATOM 414 CA GLU A 27 6.473 -12.482 -18.355 1.00 0.00 C ATOM 415 C GLU A 27 5.617 -12.609 -17.091 1.00 0.00 C ATOM 416 O GLU A 27 6.145 -12.524 -15.982 1.00 0.00 O ATOM 417 CB GLU A 27 6.393 -11.103 -19.037 1.00 0.00 C ATOM 418 CG GLU A 27 7.448 -10.122 -18.486 1.00 0.00 C ATOM 419 CD GLU A 27 8.889 -10.529 -18.814 1.00 0.00 C ATOM 420 OE1 GLU A 27 9.079 -11.210 -19.846 1.00 0.00 O ATOM 421 OE2 GLU A 27 9.777 -10.166 -18.014 1.00 0.00 O ATOM 0 H GLU A 27 5.590 -13.209 -20.113 1.00 0.00 H new ATOM 0 HA GLU A 27 7.515 -12.588 -18.054 1.00 0.00 H new ATOM 0 HB2 GLU A 27 6.535 -11.221 -20.111 1.00 0.00 H new ATOM 0 HB3 GLU A 27 5.397 -10.684 -18.891 1.00 0.00 H new ATOM 0 HG2 GLU A 27 7.257 -9.129 -18.893 1.00 0.00 H new ATOM 0 HG3 GLU A 27 7.336 -10.050 -17.404 1.00 0.00 H new ATOM 428 N LEU A 28 4.310 -12.873 -17.252 1.00 0.00 N ATOM 429 CA LEU A 28 3.430 -13.109 -16.120 1.00 0.00 C ATOM 430 C LEU A 28 3.929 -14.296 -15.288 1.00 0.00 C ATOM 431 O LEU A 28 4.043 -14.193 -14.069 1.00 0.00 O ATOM 432 CB LEU A 28 1.966 -13.284 -16.550 1.00 0.00 C ATOM 433 CG LEU A 28 1.050 -13.082 -15.326 1.00 0.00 C ATOM 434 CD1 LEU A 28 0.689 -11.607 -15.125 1.00 0.00 C ATOM 435 CD2 LEU A 28 -0.232 -13.910 -15.409 1.00 0.00 C ATOM 0 H LEU A 28 3.849 -12.926 -18.160 1.00 0.00 H new ATOM 0 HA LEU A 28 3.457 -12.221 -15.488 1.00 0.00 H new ATOM 0 HB2 LEU A 28 1.715 -12.565 -17.330 1.00 0.00 H new ATOM 0 HB3 LEU A 28 1.815 -14.277 -16.972 1.00 0.00 H new ATOM 0 HG LEU A 28 1.625 -13.429 -14.468 1.00 0.00 H new ATOM 0 HD11 LEU A 28 0.043 -11.506 -14.253 1.00 0.00 H new ATOM 0 HD12 LEU A 28 1.599 -11.027 -14.971 1.00 0.00 H new ATOM 0 HD13 LEU A 28 0.168 -11.236 -16.008 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -0.840 -13.730 -14.522 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -0.794 -13.623 -16.298 1.00 0.00 H new ATOM 0 HD23 LEU A 28 0.022 -14.969 -15.466 1.00 0.00 H new ATOM 447 N LYS A 29 4.247 -15.427 -15.921 1.00 0.00 N ATOM 448 CA LYS A 29 4.782 -16.560 -15.186 1.00 0.00 C ATOM 449 C LYS A 29 6.037 -16.132 -14.439 1.00 0.00 C ATOM 450 O LYS A 29 6.136 -16.361 -13.233 1.00 0.00 O ATOM 451 CB LYS A 29 5.071 -17.728 -16.140 1.00 0.00 C ATOM 452 CG LYS A 29 5.606 -18.957 -15.390 1.00 0.00 C ATOM 453 CD LYS A 29 5.829 -20.131 -16.350 1.00 0.00 C ATOM 454 CE LYS A 29 6.560 -21.272 -15.633 1.00 0.00 C ATOM 455 NZ LYS A 29 6.675 -22.459 -16.498 1.00 0.00 N ATOM 0 H LYS A 29 4.143 -15.576 -16.925 1.00 0.00 H new ATOM 0 HA LYS A 29 4.046 -16.903 -14.459 1.00 0.00 H new ATOM 0 HB2 LYS A 29 4.159 -17.996 -16.673 1.00 0.00 H new ATOM 0 HB3 LYS A 29 5.798 -17.414 -16.889 1.00 0.00 H new ATOM 0 HG2 LYS A 29 6.543 -18.705 -14.894 1.00 0.00 H new ATOM 0 HG3 LYS A 29 4.901 -19.248 -14.611 1.00 0.00 H new ATOM 0 HD2 LYS A 29 4.871 -20.486 -16.730 1.00 0.00 H new ATOM 0 HD3 LYS A 29 6.411 -19.801 -17.210 1.00 0.00 H new ATOM 0 HE2 LYS A 29 7.554 -20.939 -15.334 1.00 0.00 H new ATOM 0 HE3 LYS A 29 6.024 -21.534 -14.721 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 7.174 -23.215 -15.986 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 5.725 -22.789 -16.763 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 7.208 -22.213 -17.357 1.00 0.00 H new ATOM 469 N LEU A 30 6.988 -15.521 -15.151 1.00 0.00 N ATOM 470 CA LEU A 30 8.253 -15.112 -14.573 1.00 0.00 C ATOM 471 C LEU A 30 8.018 -14.294 -13.304 1.00 0.00 C ATOM 472 O LEU A 30 8.465 -14.698 -12.228 1.00 0.00 O ATOM 473 CB LEU A 30 9.090 -14.354 -15.614 1.00 0.00 C ATOM 474 CG LEU A 30 10.478 -13.942 -15.097 1.00 0.00 C ATOM 475 CD1 LEU A 30 11.369 -15.154 -14.802 1.00 0.00 C ATOM 476 CD2 LEU A 30 11.162 -13.055 -16.142 1.00 0.00 C ATOM 0 H LEU A 30 6.894 -15.300 -16.142 1.00 0.00 H new ATOM 0 HA LEU A 30 8.822 -15.995 -14.282 1.00 0.00 H new ATOM 0 HB2 LEU A 30 9.211 -14.980 -16.498 1.00 0.00 H new ATOM 0 HB3 LEU A 30 8.547 -13.462 -15.927 1.00 0.00 H new ATOM 0 HG LEU A 30 10.337 -13.399 -14.162 1.00 0.00 H new ATOM 0 HD11 LEU A 30 12.339 -14.813 -14.439 1.00 0.00 H new ATOM 0 HD12 LEU A 30 10.896 -15.777 -14.043 1.00 0.00 H new ATOM 0 HD13 LEU A 30 11.506 -15.735 -15.714 1.00 0.00 H new ATOM 0 HD21 LEU A 30 12.147 -12.760 -15.780 1.00 0.00 H new ATOM 0 HD22 LEU A 30 11.269 -13.608 -17.075 1.00 0.00 H new ATOM 0 HD23 LEU A 30 10.557 -12.165 -16.315 1.00 0.00 H new ATOM 488 N LEU A 31 7.322 -13.154 -13.397 1.00 0.00 N ATOM 489 CA LEU A 31 7.213 -12.292 -12.227 1.00 0.00 C ATOM 490 C LEU A 31 6.338 -12.900 -11.134 1.00 0.00 C ATOM 491 O LEU A 31 6.629 -12.694 -9.963 1.00 0.00 O ATOM 492 CB LEU A 31 6.912 -10.822 -12.558 1.00 0.00 C ATOM 493 CG LEU A 31 5.457 -10.348 -12.563 1.00 0.00 C ATOM 494 CD1 LEU A 31 5.407 -8.838 -12.799 1.00 0.00 C ATOM 495 CD2 LEU A 31 4.709 -11.003 -13.702 1.00 0.00 C ATOM 0 H LEU A 31 6.846 -12.822 -14.236 1.00 0.00 H new ATOM 0 HA LEU A 31 8.211 -12.244 -11.792 1.00 0.00 H new ATOM 0 HB2 LEU A 31 7.457 -10.205 -11.844 1.00 0.00 H new ATOM 0 HB3 LEU A 31 7.330 -10.614 -13.543 1.00 0.00 H new ATOM 0 HG LEU A 31 5.008 -10.607 -11.604 1.00 0.00 H new ATOM 0 HD11 LEU A 31 4.369 -8.504 -12.802 1.00 0.00 H new ATOM 0 HD12 LEU A 31 5.950 -8.327 -12.004 1.00 0.00 H new ATOM 0 HD13 LEU A 31 5.866 -8.605 -13.760 1.00 0.00 H new ATOM 0 HD21 LEU A 31 3.674 -10.662 -13.701 1.00 0.00 H new ATOM 0 HD22 LEU A 31 5.179 -10.734 -14.648 1.00 0.00 H new ATOM 0 HD23 LEU A 31 4.735 -12.086 -13.579 1.00 0.00 H new ATOM 507 N LEU A 32 5.303 -13.682 -11.464 1.00 0.00 N ATOM 508 CA LEU A 32 4.518 -14.319 -10.411 1.00 0.00 C ATOM 509 C LEU A 32 5.364 -15.336 -9.657 1.00 0.00 C ATOM 510 O LEU A 32 5.350 -15.345 -8.430 1.00 0.00 O ATOM 511 CB LEU A 32 3.226 -14.927 -10.969 1.00 0.00 C ATOM 512 CG LEU A 32 2.057 -13.933 -10.936 1.00 0.00 C ATOM 513 CD1 LEU A 32 2.437 -12.553 -11.467 1.00 0.00 C ATOM 514 CD2 LEU A 32 0.899 -14.500 -11.751 1.00 0.00 C ATOM 0 H LEU A 32 5.000 -13.882 -12.417 1.00 0.00 H new ATOM 0 HA LEU A 32 4.214 -13.556 -9.694 1.00 0.00 H new ATOM 0 HB2 LEU A 32 3.394 -15.254 -11.995 1.00 0.00 H new ATOM 0 HB3 LEU A 32 2.964 -15.813 -10.391 1.00 0.00 H new ATOM 0 HG LEU A 32 1.767 -13.800 -9.894 1.00 0.00 H new ATOM 0 HD11 LEU A 32 1.571 -11.893 -11.419 1.00 0.00 H new ATOM 0 HD12 LEU A 32 3.242 -12.139 -10.860 1.00 0.00 H new ATOM 0 HD13 LEU A 32 2.770 -12.640 -12.501 1.00 0.00 H new ATOM 0 HD21 LEU A 32 0.064 -13.800 -11.733 1.00 0.00 H new ATOM 0 HD22 LEU A 32 1.220 -14.655 -12.781 1.00 0.00 H new ATOM 0 HD23 LEU A 32 0.584 -15.451 -11.322 1.00 0.00 H new ATOM 526 N GLN A 33 6.126 -16.165 -10.368 1.00 0.00 N ATOM 527 CA GLN A 33 7.017 -17.112 -9.716 1.00 0.00 C ATOM 528 C GLN A 33 8.061 -16.370 -8.883 1.00 0.00 C ATOM 529 O GLN A 33 8.295 -16.725 -7.732 1.00 0.00 O ATOM 530 CB GLN A 33 7.689 -18.012 -10.762 1.00 0.00 C ATOM 531 CG GLN A 33 7.028 -19.392 -10.889 1.00 0.00 C ATOM 532 CD GLN A 33 5.510 -19.398 -11.079 1.00 0.00 C ATOM 533 OE1 GLN A 33 4.809 -20.203 -10.471 1.00 0.00 O ATOM 534 NE2 GLN A 33 4.974 -18.528 -11.927 1.00 0.00 N ATOM 0 H GLN A 33 6.142 -16.198 -11.387 1.00 0.00 H new ATOM 0 HA GLN A 33 6.434 -17.743 -9.046 1.00 0.00 H new ATOM 0 HB2 GLN A 33 7.663 -17.514 -11.731 1.00 0.00 H new ATOM 0 HB3 GLN A 33 8.739 -18.142 -10.499 1.00 0.00 H new ATOM 0 HG2 GLN A 33 7.481 -19.913 -11.733 1.00 0.00 H new ATOM 0 HG3 GLN A 33 7.264 -19.969 -9.995 1.00 0.00 H new ATOM 0 HE21 GLN A 33 5.570 -17.866 -12.424 1.00 0.00 H new ATOM 0 HE22 GLN A 33 3.966 -18.521 -12.082 1.00 0.00 H new ATOM 543 N THR A 34 8.706 -15.361 -9.471 1.00 0.00 N ATOM 544 CA THR A 34 9.790 -14.654 -8.795 1.00 0.00 C ATOM 545 C THR A 34 9.266 -13.914 -7.558 1.00 0.00 C ATOM 546 O THR A 34 9.809 -14.065 -6.466 1.00 0.00 O ATOM 547 CB THR A 34 10.523 -13.691 -9.745 1.00 0.00 C ATOM 548 OG1 THR A 34 10.863 -14.326 -10.961 1.00 0.00 O ATOM 549 CG2 THR A 34 11.833 -13.206 -9.116 1.00 0.00 C ATOM 0 H THR A 34 8.497 -15.018 -10.409 1.00 0.00 H new ATOM 0 HA THR A 34 10.515 -15.399 -8.468 1.00 0.00 H new ATOM 0 HB THR A 34 9.844 -12.859 -9.929 1.00 0.00 H new ATOM 0 HG1 THR A 34 10.077 -14.354 -11.546 1.00 0.00 H new ATOM 0 HG21 THR A 34 12.337 -12.526 -9.803 1.00 0.00 H new ATOM 0 HG22 THR A 34 11.618 -12.685 -8.183 1.00 0.00 H new ATOM 0 HG23 THR A 34 12.478 -14.061 -8.914 1.00 0.00 H new ATOM 557 N GLU A 35 8.235 -13.086 -7.740 1.00 0.00 N ATOM 558 CA GLU A 35 7.750 -12.181 -6.713 1.00 0.00 C ATOM 559 C GLU A 35 6.786 -12.885 -5.758 1.00 0.00 C ATOM 560 O GLU A 35 6.848 -12.632 -4.557 1.00 0.00 O ATOM 561 CB GLU A 35 7.101 -10.946 -7.357 1.00 0.00 C ATOM 562 CG GLU A 35 8.029 -10.229 -8.353 1.00 0.00 C ATOM 563 CD GLU A 35 9.352 -9.811 -7.718 1.00 0.00 C ATOM 564 OE1 GLU A 35 9.312 -8.884 -6.880 1.00 0.00 O ATOM 565 OE2 GLU A 35 10.375 -10.432 -8.073 1.00 0.00 O ATOM 0 H GLU A 35 7.713 -13.030 -8.615 1.00 0.00 H new ATOM 0 HA GLU A 35 8.602 -11.849 -6.119 1.00 0.00 H new ATOM 0 HB2 GLU A 35 6.189 -11.249 -7.872 1.00 0.00 H new ATOM 0 HB3 GLU A 35 6.808 -10.247 -6.574 1.00 0.00 H new ATOM 0 HG2 GLU A 35 8.227 -10.887 -9.199 1.00 0.00 H new ATOM 0 HG3 GLU A 35 7.523 -9.347 -8.746 1.00 0.00 H new ATOM 572 N PHE A 36 5.885 -13.735 -6.269 1.00 0.00 N ATOM 573 CA PHE A 36 4.840 -14.360 -5.459 1.00 0.00 C ATOM 574 C PHE A 36 4.924 -15.898 -5.497 1.00 0.00 C ATOM 575 O PHE A 36 3.936 -16.552 -5.839 1.00 0.00 O ATOM 576 CB PHE A 36 3.467 -13.880 -5.959 1.00 0.00 C ATOM 577 CG PHE A 36 3.331 -12.402 -6.294 1.00 0.00 C ATOM 578 CD1 PHE A 36 3.924 -11.411 -5.489 1.00 0.00 C ATOM 579 CD2 PHE A 36 2.648 -12.025 -7.465 1.00 0.00 C ATOM 580 CE1 PHE A 36 3.955 -10.076 -5.929 1.00 0.00 C ATOM 581 CE2 PHE A 36 2.660 -10.690 -7.896 1.00 0.00 C ATOM 582 CZ PHE A 36 3.341 -9.720 -7.143 1.00 0.00 C ATOM 0 H PHE A 36 5.863 -14.006 -7.252 1.00 0.00 H new ATOM 0 HA PHE A 36 4.982 -14.062 -4.420 1.00 0.00 H new ATOM 0 HB2 PHE A 36 3.211 -14.454 -6.850 1.00 0.00 H new ATOM 0 HB3 PHE A 36 2.725 -14.124 -5.199 1.00 0.00 H new ATOM 0 HD1 PHE A 36 4.355 -11.676 -4.535 1.00 0.00 H new ATOM 0 HD2 PHE A 36 2.111 -12.768 -8.036 1.00 0.00 H new ATOM 0 HE1 PHE A 36 4.451 -9.323 -5.334 1.00 0.00 H new ATOM 0 HE2 PHE A 36 2.147 -10.409 -8.804 1.00 0.00 H new ATOM 0 HZ PHE A 36 3.393 -8.701 -7.496 1.00 0.00 H new ATOM 592 N PRO A 37 6.058 -16.512 -5.127 1.00 0.00 N ATOM 593 CA PRO A 37 6.192 -17.957 -5.137 1.00 0.00 C ATOM 594 C PRO A 37 5.234 -18.579 -4.122 1.00 0.00 C ATOM 595 O PRO A 37 4.905 -17.979 -3.100 1.00 0.00 O ATOM 596 CB PRO A 37 7.651 -18.245 -4.769 1.00 0.00 C ATOM 597 CG PRO A 37 8.035 -17.035 -3.919 1.00 0.00 C ATOM 598 CD PRO A 37 7.254 -15.901 -4.580 1.00 0.00 C ATOM 0 HA PRO A 37 5.944 -18.384 -6.109 1.00 0.00 H new ATOM 0 HB2 PRO A 37 7.751 -19.177 -4.213 1.00 0.00 H new ATOM 0 HB3 PRO A 37 8.281 -18.333 -5.654 1.00 0.00 H new ATOM 0 HG2 PRO A 37 7.752 -17.167 -2.875 1.00 0.00 H new ATOM 0 HG3 PRO A 37 9.109 -16.852 -3.937 1.00 0.00 H new ATOM 0 HD2 PRO A 37 7.001 -15.126 -3.856 1.00 0.00 H new ATOM 0 HD3 PRO A 37 7.843 -15.425 -5.364 1.00 0.00 H new ATOM 606 N SER A 38 4.775 -19.797 -4.413 1.00 0.00 N ATOM 607 CA SER A 38 3.952 -20.627 -3.536 1.00 0.00 C ATOM 608 C SER A 38 2.499 -20.148 -3.467 1.00 0.00 C ATOM 609 O SER A 38 1.595 -20.980 -3.467 1.00 0.00 O ATOM 610 CB SER A 38 4.576 -20.770 -2.139 1.00 0.00 C ATOM 611 OG SER A 38 4.066 -21.921 -1.495 1.00 0.00 O ATOM 0 H SER A 38 4.976 -20.250 -5.304 1.00 0.00 H new ATOM 0 HA SER A 38 3.926 -21.621 -3.983 1.00 0.00 H new ATOM 0 HB2 SER A 38 5.661 -20.841 -2.222 1.00 0.00 H new ATOM 0 HB3 SER A 38 4.359 -19.884 -1.543 1.00 0.00 H new ATOM 0 HG SER A 38 4.470 -22.005 -0.606 1.00 0.00 H new ATOM 617 N LEU A 39 2.264 -18.831 -3.420 1.00 0.00 N ATOM 618 CA LEU A 39 0.928 -18.258 -3.561 1.00 0.00 C ATOM 619 C LEU A 39 0.258 -18.821 -4.819 1.00 0.00 C ATOM 620 O LEU A 39 -0.937 -19.105 -4.817 1.00 0.00 O ATOM 621 CB LEU A 39 1.022 -16.725 -3.601 1.00 0.00 C ATOM 622 CG LEU A 39 -0.342 -16.027 -3.770 1.00 0.00 C ATOM 623 CD1 LEU A 39 -1.260 -16.270 -2.565 1.00 0.00 C ATOM 624 CD2 LEU A 39 -0.135 -14.521 -3.950 1.00 0.00 C ATOM 0 H LEU A 39 2.998 -18.136 -3.283 1.00 0.00 H new ATOM 0 HA LEU A 39 0.312 -18.530 -2.704 1.00 0.00 H new ATOM 0 HB2 LEU A 39 1.489 -16.374 -2.681 1.00 0.00 H new ATOM 0 HB3 LEU A 39 1.675 -16.431 -4.422 1.00 0.00 H new ATOM 0 HG LEU A 39 -0.821 -16.450 -4.653 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -2.211 -15.761 -2.724 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -1.435 -17.340 -2.451 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -0.787 -15.882 -1.663 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -1.102 -14.032 -4.069 1.00 0.00 H new ATOM 0 HD22 LEU A 39 0.371 -14.116 -3.074 1.00 0.00 H new ATOM 0 HD23 LEU A 39 0.474 -14.341 -4.836 1.00 0.00 H new ATOM 636 N LEU A 40 1.045 -18.994 -5.886 1.00 0.00 N ATOM 637 CA LEU A 40 0.653 -19.726 -7.075 1.00 0.00 C ATOM 638 C LEU A 40 1.703 -20.790 -7.397 1.00 0.00 C ATOM 639 O LEU A 40 2.809 -20.788 -6.854 1.00 0.00 O ATOM 640 CB LEU A 40 0.335 -18.790 -8.259 1.00 0.00 C ATOM 641 CG LEU A 40 1.366 -17.711 -8.646 1.00 0.00 C ATOM 642 CD1 LEU A 40 1.204 -16.433 -7.816 1.00 0.00 C ATOM 643 CD2 LEU A 40 2.816 -18.203 -8.615 1.00 0.00 C ATOM 0 H LEU A 40 1.991 -18.617 -5.939 1.00 0.00 H new ATOM 0 HA LEU A 40 -0.285 -20.245 -6.877 1.00 0.00 H new ATOM 0 HB2 LEU A 40 0.163 -19.413 -9.137 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -0.605 -18.285 -8.038 1.00 0.00 H new ATOM 0 HG LEU A 40 1.145 -17.471 -9.686 1.00 0.00 H new ATOM 0 HD11 LEU A 40 1.952 -15.702 -8.124 1.00 0.00 H new ATOM 0 HD12 LEU A 40 0.207 -16.021 -7.973 1.00 0.00 H new ATOM 0 HD13 LEU A 40 1.338 -16.666 -6.760 1.00 0.00 H new ATOM 0 HD21 LEU A 40 3.483 -17.389 -8.899 1.00 0.00 H new ATOM 0 HD22 LEU A 40 3.064 -18.541 -7.609 1.00 0.00 H new ATOM 0 HD23 LEU A 40 2.935 -19.030 -9.315 1.00 0.00 H new ATOM 655 N LYS A 41 1.321 -21.704 -8.290 1.00 0.00 N ATOM 656 CA LYS A 41 2.157 -22.727 -8.893 1.00 0.00 C ATOM 657 C LYS A 41 1.879 -22.643 -10.392 1.00 0.00 C ATOM 658 O LYS A 41 1.108 -23.428 -10.949 1.00 0.00 O ATOM 659 CB LYS A 41 1.792 -24.092 -8.288 1.00 0.00 C ATOM 660 CG LYS A 41 2.452 -24.285 -6.917 1.00 0.00 C ATOM 661 CD LYS A 41 3.929 -24.695 -7.064 1.00 0.00 C ATOM 662 CE LYS A 41 4.813 -24.005 -6.022 1.00 0.00 C ATOM 663 NZ LYS A 41 5.010 -22.580 -6.343 1.00 0.00 N ATOM 0 H LYS A 41 0.360 -21.747 -8.628 1.00 0.00 H new ATOM 0 HA LYS A 41 3.222 -22.589 -8.708 1.00 0.00 H new ATOM 0 HB2 LYS A 41 0.709 -24.171 -8.188 1.00 0.00 H new ATOM 0 HB3 LYS A 41 2.108 -24.888 -8.962 1.00 0.00 H new ATOM 0 HG2 LYS A 41 2.384 -23.360 -6.344 1.00 0.00 H new ATOM 0 HG3 LYS A 41 1.914 -25.049 -6.355 1.00 0.00 H new ATOM 0 HD2 LYS A 41 4.019 -25.776 -6.959 1.00 0.00 H new ATOM 0 HD3 LYS A 41 4.280 -24.441 -8.064 1.00 0.00 H new ATOM 0 HE2 LYS A 41 4.357 -24.098 -5.037 1.00 0.00 H new ATOM 0 HE3 LYS A 41 5.780 -24.506 -5.974 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 5.556 -22.125 -5.584 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 5.528 -22.495 -7.241 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 4.085 -22.113 -6.431 1.00 0.00 H new ATOM 677 N GLY A 42 2.452 -21.623 -11.033 1.00 0.00 N ATOM 678 CA GLY A 42 2.139 -21.239 -12.398 1.00 0.00 C ATOM 679 C GLY A 42 2.790 -22.140 -13.445 1.00 0.00 C ATOM 680 O GLY A 42 3.487 -21.642 -14.325 1.00 0.00 O ATOM 0 H GLY A 42 3.162 -21.031 -10.602 1.00 0.00 H new ATOM 0 HA2 GLY A 42 1.058 -21.258 -12.534 1.00 0.00 H new ATOM 0 HA3 GLY A 42 2.463 -20.211 -12.562 1.00 0.00 H new ATOM 684 N MET A 43 2.552 -23.452 -13.364 1.00 0.00 N ATOM 685 CA MET A 43 2.903 -24.384 -14.427 1.00 0.00 C ATOM 686 C MET A 43 1.713 -24.417 -15.392 1.00 0.00 C ATOM 687 O MET A 43 1.283 -23.363 -15.855 1.00 0.00 O ATOM 688 CB MET A 43 3.274 -25.758 -13.846 1.00 0.00 C ATOM 689 CG MET A 43 4.500 -25.675 -12.921 1.00 0.00 C ATOM 690 SD MET A 43 4.197 -25.297 -11.173 1.00 0.00 S ATOM 691 CE MET A 43 3.374 -26.821 -10.650 1.00 0.00 C ATOM 0 H MET A 43 2.110 -23.893 -12.557 1.00 0.00 H new ATOM 0 HA MET A 43 3.791 -24.069 -14.974 1.00 0.00 H new ATOM 0 HB2 MET A 43 2.426 -26.159 -13.291 1.00 0.00 H new ATOM 0 HB3 MET A 43 3.479 -26.453 -14.660 1.00 0.00 H new ATOM 0 HG2 MET A 43 5.028 -26.627 -12.974 1.00 0.00 H new ATOM 0 HG3 MET A 43 5.172 -24.915 -13.319 1.00 0.00 H new ATOM 0 HE1 MET A 43 3.326 -26.854 -9.562 1.00 0.00 H new ATOM 0 HE2 MET A 43 2.364 -26.848 -11.059 1.00 0.00 H new ATOM 0 HE3 MET A 43 3.935 -27.681 -11.014 1.00 0.00 H new ATOM 701 N SER A 44 1.119 -25.586 -15.650 1.00 0.00 N ATOM 702 CA SER A 44 -0.096 -25.727 -16.441 1.00 0.00 C ATOM 703 C SER A 44 -1.167 -24.721 -16.000 1.00 0.00 C ATOM 704 O SER A 44 -1.818 -24.085 -16.827 1.00 0.00 O ATOM 705 CB SER A 44 -0.589 -27.170 -16.289 1.00 0.00 C ATOM 706 OG SER A 44 0.533 -28.037 -16.240 1.00 0.00 O ATOM 0 H SER A 44 1.481 -26.475 -15.306 1.00 0.00 H new ATOM 0 HA SER A 44 0.113 -25.514 -17.489 1.00 0.00 H new ATOM 0 HB2 SER A 44 -1.183 -27.271 -15.381 1.00 0.00 H new ATOM 0 HB3 SER A 44 -1.236 -27.437 -17.125 1.00 0.00 H new ATOM 0 HG SER A 44 0.227 -28.963 -16.141 1.00 0.00 H new ATOM 712 N THR A 45 -1.301 -24.553 -14.682 1.00 0.00 N ATOM 713 CA THR A 45 -2.169 -23.602 -14.008 1.00 0.00 C ATOM 714 C THR A 45 -2.130 -22.205 -14.634 1.00 0.00 C ATOM 715 O THR A 45 -3.142 -21.503 -14.638 1.00 0.00 O ATOM 716 CB THR A 45 -1.726 -23.521 -12.540 1.00 0.00 C ATOM 717 OG1 THR A 45 -0.996 -24.681 -12.178 1.00 0.00 O ATOM 718 CG2 THR A 45 -2.943 -23.351 -11.630 1.00 0.00 C ATOM 0 H THR A 45 -0.769 -25.118 -14.020 1.00 0.00 H new ATOM 0 HA THR A 45 -3.197 -23.952 -14.102 1.00 0.00 H new ATOM 0 HB THR A 45 -1.076 -22.654 -12.420 1.00 0.00 H new ATOM 0 HG1 THR A 45 -0.176 -24.419 -11.710 1.00 0.00 H new ATOM 0 HG21 THR A 45 -2.616 -23.295 -10.592 1.00 0.00 H new ATOM 0 HG22 THR A 45 -3.470 -22.434 -11.895 1.00 0.00 H new ATOM 0 HG23 THR A 45 -3.612 -24.203 -11.754 1.00 0.00 H new ATOM 726 N LEU A 46 -0.961 -21.801 -15.147 1.00 0.00 N ATOM 727 CA LEU A 46 -0.772 -20.513 -15.792 1.00 0.00 C ATOM 728 C LEU A 46 -1.844 -20.306 -16.851 1.00 0.00 C ATOM 729 O LEU A 46 -2.351 -19.202 -16.981 1.00 0.00 O ATOM 730 CB LEU A 46 0.617 -20.432 -16.436 1.00 0.00 C ATOM 731 CG LEU A 46 0.924 -19.035 -17.008 1.00 0.00 C ATOM 732 CD1 LEU A 46 1.337 -18.062 -15.897 1.00 0.00 C ATOM 733 CD2 LEU A 46 2.037 -19.163 -18.052 1.00 0.00 C ATOM 0 H LEU A 46 -0.116 -22.372 -15.121 1.00 0.00 H new ATOM 0 HA LEU A 46 -0.852 -19.730 -15.038 1.00 0.00 H new ATOM 0 HB2 LEU A 46 1.373 -20.691 -15.695 1.00 0.00 H new ATOM 0 HB3 LEU A 46 0.687 -21.171 -17.234 1.00 0.00 H new ATOM 0 HG LEU A 46 0.025 -18.633 -17.475 1.00 0.00 H new ATOM 0 HD11 LEU A 46 1.548 -17.084 -16.330 1.00 0.00 H new ATOM 0 HD12 LEU A 46 0.527 -17.972 -15.173 1.00 0.00 H new ATOM 0 HD13 LEU A 46 2.230 -18.438 -15.398 1.00 0.00 H new ATOM 0 HD21 LEU A 46 2.264 -18.180 -18.465 1.00 0.00 H new ATOM 0 HD22 LEU A 46 2.931 -19.574 -17.583 1.00 0.00 H new ATOM 0 HD23 LEU A 46 1.710 -19.826 -18.853 1.00 0.00 H new ATOM 745 N ASP A 47 -2.200 -21.349 -17.601 1.00 0.00 N ATOM 746 CA ASP A 47 -3.229 -21.237 -18.620 1.00 0.00 C ATOM 747 C ASP A 47 -4.521 -20.678 -18.020 1.00 0.00 C ATOM 748 O ASP A 47 -5.053 -19.676 -18.497 1.00 0.00 O ATOM 749 CB ASP A 47 -3.459 -22.610 -19.255 1.00 0.00 C ATOM 750 CG ASP A 47 -4.552 -22.543 -20.315 1.00 0.00 C ATOM 751 OD1 ASP A 47 -4.217 -22.137 -21.448 1.00 0.00 O ATOM 752 OD2 ASP A 47 -5.701 -22.892 -19.967 1.00 0.00 O ATOM 0 H ASP A 47 -1.788 -22.278 -17.518 1.00 0.00 H new ATOM 0 HA ASP A 47 -2.903 -20.542 -19.394 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -2.532 -22.967 -19.704 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -3.737 -23.329 -18.485 1.00 0.00 H new ATOM 757 N GLU A 48 -5.008 -21.312 -16.952 1.00 0.00 N ATOM 758 CA GLU A 48 -6.262 -20.930 -16.327 1.00 0.00 C ATOM 759 C GLU A 48 -6.120 -19.551 -15.688 1.00 0.00 C ATOM 760 O GLU A 48 -6.952 -18.672 -15.905 1.00 0.00 O ATOM 761 CB GLU A 48 -6.647 -21.995 -15.298 1.00 0.00 C ATOM 762 CG GLU A 48 -8.039 -21.749 -14.704 1.00 0.00 C ATOM 763 CD GLU A 48 -8.417 -22.851 -13.719 1.00 0.00 C ATOM 764 OE1 GLU A 48 -7.757 -22.908 -12.657 1.00 0.00 O ATOM 765 OE2 GLU A 48 -9.345 -23.620 -14.048 1.00 0.00 O ATOM 0 H GLU A 48 -4.542 -22.100 -16.502 1.00 0.00 H new ATOM 0 HA GLU A 48 -7.056 -20.867 -17.071 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -6.623 -22.978 -15.768 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -5.909 -22.007 -14.496 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -8.057 -20.783 -14.199 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -8.777 -21.704 -15.505 1.00 0.00 H new ATOM 772 N LEU A 49 -5.061 -19.361 -14.898 1.00 0.00 N ATOM 773 CA LEU A 49 -4.827 -18.098 -14.216 1.00 0.00 C ATOM 774 C LEU A 49 -4.797 -16.962 -15.237 1.00 0.00 C ATOM 775 O LEU A 49 -5.535 -15.988 -15.111 1.00 0.00 O ATOM 776 CB LEU A 49 -3.533 -18.183 -13.394 1.00 0.00 C ATOM 777 CG LEU A 49 -3.194 -16.884 -12.641 1.00 0.00 C ATOM 778 CD1 LEU A 49 -4.319 -16.444 -11.695 1.00 0.00 C ATOM 779 CD2 LEU A 49 -1.914 -17.103 -11.828 1.00 0.00 C ATOM 0 H LEU A 49 -4.353 -20.072 -14.718 1.00 0.00 H new ATOM 0 HA LEU A 49 -5.639 -17.889 -13.519 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -3.622 -18.997 -12.675 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -2.706 -18.434 -14.059 1.00 0.00 H new ATOM 0 HG LEU A 49 -3.061 -16.096 -13.382 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -4.029 -15.523 -11.189 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -5.230 -16.272 -12.268 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -4.498 -17.224 -10.955 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -1.664 -16.189 -11.290 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -2.070 -17.913 -11.115 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -1.096 -17.364 -12.500 1.00 0.00 H new ATOM 791 N PHE A 50 -3.971 -17.103 -16.274 1.00 0.00 N ATOM 792 CA PHE A 50 -3.856 -16.131 -17.345 1.00 0.00 C ATOM 793 C PHE A 50 -5.212 -15.913 -18.015 1.00 0.00 C ATOM 794 O PHE A 50 -5.595 -14.771 -18.246 1.00 0.00 O ATOM 795 CB PHE A 50 -2.795 -16.580 -18.355 1.00 0.00 C ATOM 796 CG PHE A 50 -2.255 -15.457 -19.213 1.00 0.00 C ATOM 797 CD1 PHE A 50 -1.144 -14.726 -18.757 1.00 0.00 C ATOM 798 CD2 PHE A 50 -2.796 -15.189 -20.483 1.00 0.00 C ATOM 799 CE1 PHE A 50 -0.609 -13.692 -19.539 1.00 0.00 C ATOM 800 CE2 PHE A 50 -2.180 -14.236 -21.314 1.00 0.00 C ATOM 801 CZ PHE A 50 -1.088 -13.487 -20.838 1.00 0.00 C ATOM 0 H PHE A 50 -3.357 -17.909 -16.389 1.00 0.00 H new ATOM 0 HA PHE A 50 -3.537 -15.176 -16.927 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -1.968 -17.044 -17.817 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -3.224 -17.345 -19.002 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -0.701 -14.962 -17.801 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -3.679 -15.712 -20.818 1.00 0.00 H new ATOM 0 HE1 PHE A 50 0.169 -13.057 -19.141 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -2.545 -14.079 -22.318 1.00 0.00 H new ATOM 0 HZ PHE A 50 -0.619 -12.753 -21.476 1.00 0.00 H new ATOM 811 N GLU A 51 -5.952 -16.990 -18.304 1.00 0.00 N ATOM 812 CA GLU A 51 -7.270 -16.873 -18.915 1.00 0.00 C ATOM 813 C GLU A 51 -8.217 -16.050 -18.034 1.00 0.00 C ATOM 814 O GLU A 51 -8.987 -15.234 -18.536 1.00 0.00 O ATOM 815 CB GLU A 51 -7.826 -18.272 -19.214 1.00 0.00 C ATOM 816 CG GLU A 51 -9.133 -18.223 -20.015 1.00 0.00 C ATOM 817 CD GLU A 51 -9.628 -19.628 -20.341 1.00 0.00 C ATOM 818 OE1 GLU A 51 -10.128 -20.285 -19.402 1.00 0.00 O ATOM 819 OE2 GLU A 51 -9.490 -20.023 -21.519 1.00 0.00 O ATOM 0 H GLU A 51 -5.656 -17.949 -18.123 1.00 0.00 H new ATOM 0 HA GLU A 51 -7.181 -16.336 -19.859 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -7.083 -18.844 -19.770 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -7.998 -18.800 -18.276 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -9.893 -17.689 -19.445 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -8.977 -17.665 -20.938 1.00 0.00 H new ATOM 826 N GLU A 52 -8.162 -16.269 -16.720 1.00 0.00 N ATOM 827 CA GLU A 52 -9.024 -15.583 -15.767 1.00 0.00 C ATOM 828 C GLU A 52 -8.631 -14.106 -15.703 1.00 0.00 C ATOM 829 O GLU A 52 -9.476 -13.213 -15.694 1.00 0.00 O ATOM 830 CB GLU A 52 -8.884 -16.261 -14.395 1.00 0.00 C ATOM 831 CG GLU A 52 -9.840 -15.675 -13.347 1.00 0.00 C ATOM 832 CD GLU A 52 -9.589 -16.291 -11.975 1.00 0.00 C ATOM 833 OE1 GLU A 52 -10.156 -17.376 -11.725 1.00 0.00 O ATOM 834 OE2 GLU A 52 -8.824 -15.670 -11.204 1.00 0.00 O ATOM 0 H GLU A 52 -7.515 -16.930 -16.289 1.00 0.00 H new ATOM 0 HA GLU A 52 -10.067 -15.642 -16.078 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -9.076 -17.329 -14.500 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -7.857 -16.155 -14.045 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -9.709 -14.594 -13.294 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -10.872 -15.857 -13.648 1.00 0.00 H new ATOM 841 N LEU A 53 -7.327 -13.868 -15.599 1.00 0.00 N ATOM 842 CA LEU A 53 -6.730 -12.575 -15.331 1.00 0.00 C ATOM 843 C LEU A 53 -6.832 -11.668 -16.559 1.00 0.00 C ATOM 844 O LEU A 53 -7.334 -10.547 -16.479 1.00 0.00 O ATOM 845 CB LEU A 53 -5.272 -12.853 -14.941 1.00 0.00 C ATOM 846 CG LEU A 53 -4.511 -11.741 -14.215 1.00 0.00 C ATOM 847 CD1 LEU A 53 -3.073 -12.251 -14.072 1.00 0.00 C ATOM 848 CD2 LEU A 53 -4.516 -10.393 -14.936 1.00 0.00 C ATOM 0 H LEU A 53 -6.632 -14.607 -15.705 1.00 0.00 H new ATOM 0 HA LEU A 53 -7.246 -12.049 -14.528 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -5.256 -13.740 -14.308 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -4.722 -13.100 -15.849 1.00 0.00 H new ATOM 0 HG LEU A 53 -5.001 -11.542 -13.262 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -2.470 -11.502 -13.559 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -3.071 -13.176 -13.495 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -2.654 -12.439 -15.060 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -3.954 -9.665 -14.351 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -4.054 -10.504 -15.917 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -5.543 -10.048 -15.055 1.00 0.00 H new ATOM 860 N ASP A 54 -6.334 -12.142 -17.702 1.00 0.00 N ATOM 861 CA ASP A 54 -6.117 -11.344 -18.902 1.00 0.00 C ATOM 862 C ASP A 54 -7.399 -11.134 -19.719 1.00 0.00 C ATOM 863 O ASP A 54 -7.411 -11.321 -20.935 1.00 0.00 O ATOM 864 CB ASP A 54 -5.025 -12.020 -19.743 1.00 0.00 C ATOM 865 CG ASP A 54 -4.383 -11.067 -20.743 1.00 0.00 C ATOM 866 OD1 ASP A 54 -4.691 -9.858 -20.678 1.00 0.00 O ATOM 867 OD2 ASP A 54 -3.577 -11.561 -21.558 1.00 0.00 O ATOM 0 H ASP A 54 -6.064 -13.119 -17.818 1.00 0.00 H new ATOM 0 HA ASP A 54 -5.797 -10.346 -18.601 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -4.256 -12.419 -19.081 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -5.455 -12.867 -20.278 1.00 0.00 H new ATOM 872 N LYS A 55 -8.475 -10.738 -19.038 1.00 0.00 N ATOM 873 CA LYS A 55 -9.835 -10.680 -19.564 1.00 0.00 C ATOM 874 C LYS A 55 -9.914 -9.975 -20.922 1.00 0.00 C ATOM 875 O LYS A 55 -10.558 -10.470 -21.843 1.00 0.00 O ATOM 876 CB LYS A 55 -10.747 -9.979 -18.547 1.00 0.00 C ATOM 877 CG LYS A 55 -10.858 -10.760 -17.229 1.00 0.00 C ATOM 878 CD LYS A 55 -11.737 -9.996 -16.232 1.00 0.00 C ATOM 879 CE LYS A 55 -11.921 -10.776 -14.923 1.00 0.00 C ATOM 880 NZ LYS A 55 -10.637 -11.055 -14.256 1.00 0.00 N ATOM 0 H LYS A 55 -8.418 -10.437 -18.065 1.00 0.00 H new ATOM 0 HA LYS A 55 -10.170 -11.705 -19.724 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -10.361 -8.980 -18.344 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -11.740 -9.855 -18.978 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -11.282 -11.746 -17.417 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -9.866 -10.915 -16.805 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -11.286 -9.027 -16.018 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -12.712 -9.802 -16.680 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -12.562 -10.207 -14.250 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -12.432 -11.716 -15.131 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -10.810 -11.316 -13.264 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -10.157 -11.839 -14.742 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -10.036 -10.207 -14.291 1.00 0.00 H new ATOM 894 N ALA A 56 -9.287 -8.801 -21.028 1.00 0.00 N ATOM 895 CA ALA A 56 -9.328 -7.967 -22.223 1.00 0.00 C ATOM 896 C ALA A 56 -8.100 -8.216 -23.098 1.00 0.00 C ATOM 897 O ALA A 56 -8.210 -8.331 -24.316 1.00 0.00 O ATOM 898 CB ALA A 56 -9.407 -6.495 -21.807 1.00 0.00 C ATOM 0 H ALA A 56 -8.730 -8.401 -20.273 1.00 0.00 H new ATOM 0 HA ALA A 56 -10.210 -8.223 -22.810 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -9.438 -5.867 -22.697 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -10.308 -6.332 -21.216 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -8.531 -6.238 -21.211 1.00 0.00 H new ATOM 904 N GLY A 57 -6.921 -8.260 -22.476 1.00 0.00 N ATOM 905 CA GLY A 57 -5.645 -8.289 -23.174 1.00 0.00 C ATOM 906 C GLY A 57 -5.269 -9.675 -23.702 1.00 0.00 C ATOM 907 O GLY A 57 -4.264 -9.776 -24.403 1.00 0.00 O ATOM 0 H GLY A 57 -6.830 -8.277 -21.460 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -5.680 -7.588 -24.008 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -4.863 -7.942 -22.499 1.00 0.00 H new ATOM 911 N ASP A 58 -6.052 -10.713 -23.350 1.00 0.00 N ATOM 912 CA ASP A 58 -5.971 -12.116 -23.766 1.00 0.00 C ATOM 913 C ASP A 58 -4.821 -12.421 -24.732 1.00 0.00 C ATOM 914 O ASP A 58 -5.025 -12.606 -25.930 1.00 0.00 O ATOM 915 CB ASP A 58 -7.328 -12.551 -24.337 1.00 0.00 C ATOM 916 CG ASP A 58 -7.355 -14.034 -24.702 1.00 0.00 C ATOM 917 OD1 ASP A 58 -6.670 -14.813 -24.003 1.00 0.00 O ATOM 918 OD2 ASP A 58 -8.075 -14.367 -25.669 1.00 0.00 O ATOM 0 H ASP A 58 -6.830 -10.571 -22.706 1.00 0.00 H new ATOM 0 HA ASP A 58 -5.738 -12.703 -22.878 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -8.110 -12.345 -23.606 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -7.554 -11.957 -25.222 1.00 0.00 H new ATOM 923 N GLY A 59 -3.607 -12.466 -24.187 1.00 0.00 N ATOM 924 CA GLY A 59 -2.372 -12.514 -24.947 1.00 0.00 C ATOM 925 C GLY A 59 -1.284 -11.809 -24.144 1.00 0.00 C ATOM 926 O GLY A 59 -0.185 -12.346 -23.981 1.00 0.00 O ATOM 0 H GLY A 59 -3.458 -12.470 -23.178 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -2.088 -13.548 -25.144 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -2.503 -12.030 -25.915 1.00 0.00 H new ATOM 930 N GLU A 60 -1.599 -10.628 -23.600 1.00 0.00 N ATOM 931 CA GLU A 60 -0.717 -9.926 -22.681 1.00 0.00 C ATOM 932 C GLU A 60 -1.494 -9.037 -21.700 1.00 0.00 C ATOM 933 O GLU A 60 -2.416 -8.326 -22.085 1.00 0.00 O ATOM 934 CB GLU A 60 0.420 -9.235 -23.449 1.00 0.00 C ATOM 935 CG GLU A 60 -0.067 -8.374 -24.621 1.00 0.00 C ATOM 936 CD GLU A 60 1.105 -7.679 -25.305 1.00 0.00 C ATOM 937 OE1 GLU A 60 1.910 -8.406 -25.928 1.00 0.00 O ATOM 938 OE2 GLU A 60 1.188 -6.438 -25.178 1.00 0.00 O ATOM 0 H GLU A 60 -2.474 -10.138 -23.789 1.00 0.00 H new ATOM 0 HA GLU A 60 -0.225 -10.648 -22.030 1.00 0.00 H new ATOM 0 HB2 GLU A 60 0.985 -8.609 -22.759 1.00 0.00 H new ATOM 0 HB3 GLU A 60 1.106 -9.993 -23.826 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -0.596 -8.998 -25.341 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -0.777 -7.630 -24.261 1.00 0.00 H new ATOM 945 N VAL A 61 -1.098 -9.097 -20.426 1.00 0.00 N ATOM 946 CA VAL A 61 -1.786 -8.557 -19.263 1.00 0.00 C ATOM 947 C VAL A 61 -1.371 -7.107 -19.027 1.00 0.00 C ATOM 948 O VAL A 61 -0.201 -6.839 -18.746 1.00 0.00 O ATOM 949 CB VAL A 61 -1.427 -9.445 -18.052 1.00 0.00 C ATOM 950 CG1 VAL A 61 -1.904 -8.849 -16.723 1.00 0.00 C ATOM 951 CG2 VAL A 61 -2.071 -10.825 -18.205 1.00 0.00 C ATOM 0 H VAL A 61 -0.226 -9.558 -20.168 1.00 0.00 H new ATOM 0 HA VAL A 61 -2.865 -8.561 -19.417 1.00 0.00 H new ATOM 0 HB VAL A 61 -0.339 -9.515 -18.033 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -1.625 -9.514 -15.905 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -1.439 -7.875 -16.573 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -2.988 -8.734 -16.744 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -1.812 -11.444 -17.346 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -3.154 -10.717 -18.261 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -1.706 -11.298 -19.117 1.00 0.00 H new ATOM 961 N SER A 62 -2.326 -6.178 -19.144 1.00 0.00 N ATOM 962 CA SER A 62 -2.127 -4.758 -18.866 1.00 0.00 C ATOM 963 C SER A 62 -1.879 -4.519 -17.377 1.00 0.00 C ATOM 964 O SER A 62 -2.201 -5.369 -16.549 1.00 0.00 O ATOM 965 CB SER A 62 -3.363 -3.977 -19.324 1.00 0.00 C ATOM 966 OG SER A 62 -4.494 -4.406 -18.587 1.00 0.00 O ATOM 0 H SER A 62 -3.276 -6.400 -19.441 1.00 0.00 H new ATOM 0 HA SER A 62 -1.249 -4.414 -19.412 1.00 0.00 H new ATOM 0 HB2 SER A 62 -3.205 -2.908 -19.179 1.00 0.00 H new ATOM 0 HB3 SER A 62 -3.530 -4.133 -20.390 1.00 0.00 H new ATOM 0 HG SER A 62 -4.801 -5.270 -18.932 1.00 0.00 H new ATOM 972 N PHE A 63 -1.375 -3.333 -17.016 1.00 0.00 N ATOM 973 CA PHE A 63 -1.288 -2.933 -15.618 1.00 0.00 C ATOM 974 C PHE A 63 -2.680 -2.934 -14.975 1.00 0.00 C ATOM 975 O PHE A 63 -2.846 -3.306 -13.813 1.00 0.00 O ATOM 976 CB PHE A 63 -0.624 -1.553 -15.493 1.00 0.00 C ATOM 977 CG PHE A 63 -0.446 -1.079 -14.062 1.00 0.00 C ATOM 978 CD1 PHE A 63 0.136 -1.930 -13.103 1.00 0.00 C ATOM 979 CD2 PHE A 63 -0.920 0.188 -13.672 1.00 0.00 C ATOM 980 CE1 PHE A 63 0.147 -1.561 -11.747 1.00 0.00 C ATOM 981 CE2 PHE A 63 -0.870 0.573 -12.322 1.00 0.00 C ATOM 982 CZ PHE A 63 -0.364 -0.313 -11.354 1.00 0.00 C ATOM 0 H PHE A 63 -1.023 -2.639 -17.676 1.00 0.00 H new ATOM 0 HA PHE A 63 -0.668 -3.655 -15.086 1.00 0.00 H new ATOM 0 HB2 PHE A 63 0.352 -1.586 -15.978 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -1.225 -0.822 -16.035 1.00 0.00 H new ATOM 0 HD1 PHE A 63 0.575 -2.868 -13.410 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -1.322 0.865 -14.411 1.00 0.00 H new ATOM 0 HE1 PHE A 63 0.549 -2.237 -11.007 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -1.221 1.551 -12.027 1.00 0.00 H new ATOM 0 HZ PHE A 63 -0.368 -0.034 -10.311 1.00 0.00 H new ATOM 992 N GLU A 64 -3.697 -2.515 -15.733 1.00 0.00 N ATOM 993 CA GLU A 64 -5.083 -2.540 -15.291 1.00 0.00 C ATOM 994 C GLU A 64 -5.482 -3.955 -14.883 1.00 0.00 C ATOM 995 O GLU A 64 -5.925 -4.179 -13.758 1.00 0.00 O ATOM 996 CB GLU A 64 -5.997 -1.990 -16.393 1.00 0.00 C ATOM 997 CG GLU A 64 -5.674 -0.526 -16.720 1.00 0.00 C ATOM 998 CD GLU A 64 -6.590 0.001 -17.819 1.00 0.00 C ATOM 999 OE1 GLU A 64 -6.256 -0.249 -18.998 1.00 0.00 O ATOM 1000 OE2 GLU A 64 -7.605 0.633 -17.461 1.00 0.00 O ATOM 0 H GLU A 64 -3.575 -2.147 -16.677 1.00 0.00 H new ATOM 0 HA GLU A 64 -5.193 -1.900 -14.415 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -5.888 -2.596 -17.292 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -7.037 -2.071 -16.077 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -5.786 0.084 -15.824 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -4.634 -0.441 -17.036 1.00 0.00 H new ATOM 1007 N GLU A 65 -5.298 -4.919 -15.785 1.00 0.00 N ATOM 1008 CA GLU A 65 -5.615 -6.307 -15.481 1.00 0.00 C ATOM 1009 C GLU A 65 -4.755 -6.797 -14.316 1.00 0.00 C ATOM 1010 O GLU A 65 -5.246 -7.445 -13.395 1.00 0.00 O ATOM 1011 CB GLU A 65 -5.412 -7.147 -16.740 1.00 0.00 C ATOM 1012 CG GLU A 65 -6.498 -6.798 -17.761 1.00 0.00 C ATOM 1013 CD GLU A 65 -6.146 -7.312 -19.147 1.00 0.00 C ATOM 1014 OE1 GLU A 65 -5.073 -6.893 -19.640 1.00 0.00 O ATOM 1015 OE2 GLU A 65 -6.964 -8.083 -19.692 1.00 0.00 O ATOM 0 H GLU A 65 -4.933 -4.762 -16.725 1.00 0.00 H new ATOM 0 HA GLU A 65 -6.656 -6.401 -15.172 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -4.425 -6.958 -17.162 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -5.455 -8.208 -16.494 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -7.448 -7.227 -17.443 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -6.632 -5.717 -17.796 1.00 0.00 H new ATOM 1022 N PHE A 66 -3.467 -6.462 -14.336 1.00 0.00 N ATOM 1023 CA PHE A 66 -2.543 -6.872 -13.291 1.00 0.00 C ATOM 1024 C PHE A 66 -3.028 -6.410 -11.920 1.00 0.00 C ATOM 1025 O PHE A 66 -2.971 -7.169 -10.962 1.00 0.00 O ATOM 1026 CB PHE A 66 -1.127 -6.369 -13.565 1.00 0.00 C ATOM 1027 CG PHE A 66 -0.092 -7.034 -12.678 1.00 0.00 C ATOM 1028 CD1 PHE A 66 0.458 -8.275 -13.051 1.00 0.00 C ATOM 1029 CD2 PHE A 66 0.312 -6.427 -11.475 1.00 0.00 C ATOM 1030 CE1 PHE A 66 1.484 -8.848 -12.281 1.00 0.00 C ATOM 1031 CE2 PHE A 66 1.329 -7.009 -10.703 1.00 0.00 C ATOM 1032 CZ PHE A 66 1.945 -8.195 -11.126 1.00 0.00 C ATOM 0 H PHE A 66 -3.040 -5.902 -15.074 1.00 0.00 H new ATOM 0 HA PHE A 66 -2.512 -7.962 -13.291 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -0.876 -6.551 -14.610 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -1.092 -5.290 -13.412 1.00 0.00 H new ATOM 0 HD1 PHE A 66 0.091 -8.786 -13.929 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -0.160 -5.513 -11.146 1.00 0.00 H new ATOM 0 HE1 PHE A 66 1.919 -9.791 -12.577 1.00 0.00 H new ATOM 0 HE2 PHE A 66 1.638 -6.542 -9.780 1.00 0.00 H new ATOM 0 HZ PHE A 66 2.772 -8.606 -10.565 1.00 0.00 H new ATOM 1042 N GLN A 67 -3.539 -5.186 -11.799 1.00 0.00 N ATOM 1043 CA GLN A 67 -4.082 -4.730 -10.526 1.00 0.00 C ATOM 1044 C GLN A 67 -5.219 -5.629 -10.021 1.00 0.00 C ATOM 1045 O GLN A 67 -5.390 -5.752 -8.810 1.00 0.00 O ATOM 1046 CB GLN A 67 -4.502 -3.262 -10.624 1.00 0.00 C ATOM 1047 CG GLN A 67 -3.262 -2.360 -10.619 1.00 0.00 C ATOM 1048 CD GLN A 67 -3.590 -0.982 -11.172 1.00 0.00 C ATOM 1049 OE1 GLN A 67 -3.719 -0.011 -10.434 1.00 0.00 O ATOM 1050 NE2 GLN A 67 -3.728 -0.901 -12.488 1.00 0.00 N ATOM 0 H GLN A 67 -3.587 -4.503 -12.555 1.00 0.00 H new ATOM 0 HA GLN A 67 -3.292 -4.805 -9.778 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -5.076 -3.100 -11.536 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -5.152 -3.005 -9.788 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -2.880 -2.267 -9.603 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -2.473 -2.817 -11.216 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -3.612 -1.734 -13.065 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -3.950 -0.006 -12.923 1.00 0.00 H new ATOM 1059 N VAL A 68 -5.966 -6.308 -10.900 1.00 0.00 N ATOM 1060 CA VAL A 68 -6.916 -7.324 -10.449 1.00 0.00 C ATOM 1061 C VAL A 68 -6.155 -8.472 -9.771 1.00 0.00 C ATOM 1062 O VAL A 68 -6.550 -8.944 -8.708 1.00 0.00 O ATOM 1063 CB VAL A 68 -7.810 -7.824 -11.600 1.00 0.00 C ATOM 1064 CG1 VAL A 68 -8.916 -8.744 -11.065 1.00 0.00 C ATOM 1065 CG2 VAL A 68 -8.468 -6.655 -12.347 1.00 0.00 C ATOM 0 H VAL A 68 -5.931 -6.174 -11.911 1.00 0.00 H new ATOM 0 HA VAL A 68 -7.589 -6.875 -9.718 1.00 0.00 H new ATOM 0 HB VAL A 68 -7.167 -8.373 -12.288 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -9.537 -9.087 -11.893 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -8.466 -9.604 -10.569 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -9.532 -8.196 -10.352 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -9.092 -7.043 -13.152 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -9.085 -6.082 -11.655 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -7.696 -6.009 -12.765 1.00 0.00 H new ATOM 1075 N LEU A 69 -5.034 -8.903 -10.357 1.00 0.00 N ATOM 1076 CA LEU A 69 -4.149 -9.872 -9.721 1.00 0.00 C ATOM 1077 C LEU A 69 -3.662 -9.310 -8.378 1.00 0.00 C ATOM 1078 O LEU A 69 -3.762 -9.990 -7.362 1.00 0.00 O ATOM 1079 CB LEU A 69 -3.048 -10.308 -10.711 1.00 0.00 C ATOM 1080 CG LEU A 69 -2.059 -11.403 -10.272 1.00 0.00 C ATOM 1081 CD1 LEU A 69 -0.834 -10.802 -9.574 1.00 0.00 C ATOM 1082 CD2 LEU A 69 -2.697 -12.520 -9.439 1.00 0.00 C ATOM 0 H LEU A 69 -4.720 -8.591 -11.276 1.00 0.00 H new ATOM 0 HA LEU A 69 -4.672 -10.795 -9.471 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -3.538 -10.650 -11.623 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -2.468 -9.423 -10.973 1.00 0.00 H new ATOM 0 HG LEU A 69 -1.725 -11.885 -11.191 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -0.156 -11.602 -9.277 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -0.321 -10.126 -10.258 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -1.153 -10.250 -8.690 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -1.936 -13.252 -9.169 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -3.131 -12.096 -8.533 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -3.479 -13.007 -10.022 1.00 0.00 H new ATOM 1094 N VAL A 70 -3.213 -8.051 -8.323 1.00 0.00 N ATOM 1095 CA VAL A 70 -2.827 -7.417 -7.061 1.00 0.00 C ATOM 1096 C VAL A 70 -3.968 -7.482 -6.036 1.00 0.00 C ATOM 1097 O VAL A 70 -3.734 -7.775 -4.865 1.00 0.00 O ATOM 1098 CB VAL A 70 -2.309 -5.980 -7.260 1.00 0.00 C ATOM 1099 CG1 VAL A 70 -1.846 -5.361 -5.933 1.00 0.00 C ATOM 1100 CG2 VAL A 70 -1.121 -5.961 -8.230 1.00 0.00 C ATOM 0 H VAL A 70 -3.108 -7.451 -9.141 1.00 0.00 H new ATOM 0 HA VAL A 70 -1.991 -7.988 -6.658 1.00 0.00 H new ATOM 0 HB VAL A 70 -3.138 -5.400 -7.665 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -1.487 -4.347 -6.110 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -2.681 -5.333 -5.234 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -1.041 -5.963 -5.512 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -0.771 -4.937 -8.356 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -0.314 -6.574 -7.829 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -1.433 -6.359 -9.195 1.00 0.00 H new ATOM 1110 N LYS A 71 -5.209 -7.242 -6.463 1.00 0.00 N ATOM 1111 CA LYS A 71 -6.365 -7.371 -5.585 1.00 0.00 C ATOM 1112 C LYS A 71 -6.445 -8.781 -4.984 1.00 0.00 C ATOM 1113 O LYS A 71 -6.883 -8.929 -3.847 1.00 0.00 O ATOM 1114 CB LYS A 71 -7.648 -6.975 -6.332 1.00 0.00 C ATOM 1115 CG LYS A 71 -8.805 -6.710 -5.360 1.00 0.00 C ATOM 1116 CD LYS A 71 -10.064 -6.307 -6.137 1.00 0.00 C ATOM 1117 CE LYS A 71 -11.211 -5.919 -5.195 1.00 0.00 C ATOM 1118 NZ LYS A 71 -11.623 -7.040 -4.331 1.00 0.00 N ATOM 0 H LYS A 71 -5.436 -6.956 -7.416 1.00 0.00 H new ATOM 0 HA LYS A 71 -6.252 -6.683 -4.747 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -7.462 -6.083 -6.930 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -7.927 -7.769 -7.024 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -9.004 -7.603 -4.767 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -8.530 -5.919 -4.662 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -9.833 -5.469 -6.794 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -10.379 -7.134 -6.773 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -10.901 -5.078 -4.574 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -12.065 -5.583 -5.783 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -12.464 -6.766 -3.784 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -11.847 -7.868 -4.919 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -10.849 -7.278 -3.679 1.00 0.00 H new ATOM 1132 N LYS A 72 -6.011 -9.813 -5.718 1.00 0.00 N ATOM 1133 CA LYS A 72 -5.893 -11.157 -5.170 1.00 0.00 C ATOM 1134 C LYS A 72 -4.696 -11.240 -4.213 1.00 0.00 C ATOM 1135 O LYS A 72 -4.862 -11.683 -3.077 1.00 0.00 O ATOM 1136 CB LYS A 72 -5.812 -12.218 -6.282 1.00 0.00 C ATOM 1137 CG LYS A 72 -7.039 -12.185 -7.205 1.00 0.00 C ATOM 1138 CD LYS A 72 -6.890 -13.119 -8.416 1.00 0.00 C ATOM 1139 CE LYS A 72 -6.798 -14.599 -8.019 1.00 0.00 C ATOM 1140 NZ LYS A 72 -6.736 -15.470 -9.206 1.00 0.00 N ATOM 0 H LYS A 72 -5.736 -9.735 -6.697 1.00 0.00 H new ATOM 0 HA LYS A 72 -6.796 -11.373 -4.599 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -4.911 -12.055 -6.873 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -5.724 -13.207 -5.833 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -7.925 -12.470 -6.637 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -7.199 -11.165 -7.554 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -7.740 -12.979 -9.084 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -5.996 -12.841 -8.975 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -5.913 -14.758 -7.402 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -7.662 -14.869 -7.412 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -6.640 -16.461 -8.905 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -7.607 -15.360 -9.763 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -5.917 -15.205 -9.789 1.00 0.00 H new ATOM 1154 N ILE A 73 -3.494 -10.828 -4.642 1.00 0.00 N ATOM 1155 CA ILE A 73 -2.293 -10.970 -3.806 1.00 0.00 C ATOM 1156 C ILE A 73 -2.456 -10.265 -2.455 1.00 0.00 C ATOM 1157 O ILE A 73 -1.937 -10.723 -1.440 1.00 0.00 O ATOM 1158 CB ILE A 73 -0.981 -10.561 -4.515 1.00 0.00 C ATOM 1159 CG1 ILE A 73 -0.621 -9.073 -4.356 1.00 0.00 C ATOM 1160 CG2 ILE A 73 -0.938 -11.015 -5.978 1.00 0.00 C ATOM 1161 CD1 ILE A 73 0.520 -8.598 -5.260 1.00 0.00 C ATOM 0 H ILE A 73 -3.328 -10.399 -5.552 1.00 0.00 H new ATOM 0 HA ILE A 73 -2.196 -12.039 -3.616 1.00 0.00 H new ATOM 0 HB ILE A 73 -0.196 -11.104 -3.989 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -1.507 -8.473 -4.564 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -0.347 -8.887 -3.318 1.00 0.00 H new ATOM 0 HG21 ILE A 73 0.004 -10.702 -6.428 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -1.020 -12.101 -6.025 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -1.768 -10.565 -6.523 1.00 0.00 H new ATOM 0 HD11 ILE A 73 0.708 -7.539 -5.083 1.00 0.00 H new ATOM 0 HD12 ILE A 73 1.422 -9.168 -5.038 1.00 0.00 H new ATOM 0 HD13 ILE A 73 0.244 -8.748 -6.304 1.00 0.00 H new ATOM 1173 N SER A 74 -3.182 -9.145 -2.456 1.00 0.00 N ATOM 1174 CA SER A 74 -3.595 -8.410 -1.268 1.00 0.00 C ATOM 1175 C SER A 74 -2.407 -7.775 -0.540 1.00 0.00 C ATOM 1176 O SER A 74 -2.403 -7.690 0.685 1.00 0.00 O ATOM 1177 CB SER A 74 -4.421 -9.305 -0.332 1.00 0.00 C ATOM 1178 OG SER A 74 -5.511 -9.887 -1.021 1.00 0.00 O ATOM 0 H SER A 74 -3.509 -8.712 -3.320 1.00 0.00 H new ATOM 0 HA SER A 74 -4.232 -7.589 -1.597 1.00 0.00 H new ATOM 0 HB2 SER A 74 -3.787 -10.089 0.081 1.00 0.00 H new ATOM 0 HB3 SER A 74 -4.789 -8.717 0.509 1.00 0.00 H new ATOM 0 HG SER A 74 -5.175 -10.516 -1.693 1.00 0.00 H new ATOM 1184 N GLN A 75 -1.413 -7.292 -1.292 1.00 0.00 N ATOM 1185 CA GLN A 75 -0.313 -6.508 -0.742 1.00 0.00 C ATOM 1186 C GLN A 75 -0.749 -5.042 -0.643 1.00 0.00 C ATOM 1187 O GLN A 75 -0.340 -4.378 0.335 1.00 0.00 O ATOM 1188 CB GLN A 75 0.925 -6.661 -1.636 1.00 0.00 C ATOM 1189 CG GLN A 75 2.190 -6.086 -0.979 1.00 0.00 C ATOM 1190 CD GLN A 75 3.332 -5.938 -1.980 1.00 0.00 C ATOM 1191 OE1 GLN A 75 3.765 -4.829 -2.270 1.00 0.00 O ATOM 1192 NE2 GLN A 75 3.818 -7.047 -2.528 1.00 0.00 N ATOM 1193 OXT GLN A 75 -1.435 -4.586 -1.585 1.00 0.00 O ATOM 0 H GLN A 75 -1.352 -7.436 -2.300 1.00 0.00 H new ATOM 0 HA GLN A 75 -0.054 -6.864 0.255 1.00 0.00 H new ATOM 0 HB2 GLN A 75 1.081 -7.716 -1.860 1.00 0.00 H new ATOM 0 HB3 GLN A 75 0.750 -6.156 -2.586 1.00 0.00 H new ATOM 0 HG2 GLN A 75 1.962 -5.114 -0.541 1.00 0.00 H new ATOM 0 HG3 GLN A 75 2.504 -6.737 -0.163 1.00 0.00 H new ATOM 0 HE21 GLN A 75 3.436 -7.955 -2.265 1.00 0.00 H new ATOM 0 HE22 GLN A 75 4.573 -6.990 -3.211 1.00 0.00 H new TER 1202 GLN A 75