USER MOD reduce.3.24.130724 H: found=0, std=0, add=720, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 721 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 66 HIS : no HE2:sc= -2.07 K(o=-6.5,f=-7.3) USER MOD Set 1.2: A 133 HIS : no HE2:sc= -4.48! C(o=-6.5!,f=-7.3!) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 124:sc= -0.113 (180deg=-0.528) USER MOD Single : A 8 ASN : amide:sc= -1.58 X(o=-1.6,f=-1.7) USER MOD Single : A 9 SER OG : rot 170:sc= -0.421 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 GLN : amide:sc= -0.265 K(o=-0.27,f=-5.7!) USER MOD Single : A 15 THR OG1 : rot -80:sc= -0.0848 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 GLN : amide:sc= -1.49 K(o=-1.5,f=-6.3!) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 SER OG : rot -64:sc= 1.2 USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot 114:sc= 1.95 USER MOD Single : A 39 GLN : amide:sc= 0 K(o=0,f=-0.52) USER MOD Single : A 68 THR OG1 : rot 180:sc= -0.126 USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 ASN : amide:sc= -1.09 K(o=-1.1,f=-6.9!) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 94 LYS NZ :NH3+ 127:sc= 0.00911 (180deg=-0.561) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 GLN : amide:sc= -2.05 X(o=-2,f=-2.3) USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 LYS NZ :NH3+ 147:sc= 0.0196 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 29 N PHE A 3 2.873 -4.425 -1.572 1.00 0.00 N ATOM 30 CA PHE A 3 2.653 -5.741 -0.984 1.00 0.00 C ATOM 31 C PHE A 3 3.885 -6.625 -1.154 1.00 0.00 C ATOM 32 O PHE A 3 4.597 -6.533 -2.154 1.00 0.00 O ATOM 33 CB PHE A 3 1.437 -6.413 -1.625 1.00 0.00 C ATOM 34 CG PHE A 3 0.836 -7.498 -0.777 1.00 0.00 C ATOM 35 CD1 PHE A 3 1.399 -8.763 -0.747 1.00 0.00 C ATOM 36 CD2 PHE A 3 -0.293 -7.252 -0.012 1.00 0.00 C ATOM 37 CE1 PHE A 3 0.848 -9.764 0.032 1.00 0.00 C ATOM 38 CE2 PHE A 3 -0.847 -8.248 0.769 1.00 0.00 C ATOM 39 CZ PHE A 3 -0.277 -9.506 0.790 1.00 0.00 C ATOM 0 HA PHE A 3 2.466 -5.609 0.082 1.00 0.00 H new ATOM 0 HB2 PHE A 3 0.678 -5.657 -1.826 1.00 0.00 H new ATOM 0 HB3 PHE A 3 1.729 -6.834 -2.587 1.00 0.00 H new ATOM 0 HD1 PHE A 3 2.278 -8.970 -1.339 1.00 0.00 H new ATOM 0 HD2 PHE A 3 -0.745 -6.271 -0.026 1.00 0.00 H new ATOM 0 HE1 PHE A 3 1.297 -10.746 0.047 1.00 0.00 H new ATOM 0 HE2 PHE A 3 -1.725 -8.043 1.363 1.00 0.00 H new ATOM 0 HZ PHE A 3 -0.710 -10.286 1.398 1.00 0.00 H new ATOM 49 N LYS A 4 4.131 -7.482 -0.169 1.00 0.00 N ATOM 50 CA LYS A 4 5.276 -8.385 -0.207 1.00 0.00 C ATOM 51 C LYS A 4 4.874 -9.792 0.222 1.00 0.00 C ATOM 52 O LYS A 4 3.995 -9.967 1.067 1.00 0.00 O ATOM 53 CB LYS A 4 6.393 -7.863 0.700 1.00 0.00 C ATOM 54 CG LYS A 4 7.496 -8.877 0.950 1.00 0.00 C ATOM 55 CD LYS A 4 8.238 -9.222 -0.330 1.00 0.00 C ATOM 56 CE LYS A 4 8.781 -10.642 -0.295 1.00 0.00 C ATOM 57 NZ LYS A 4 10.095 -10.716 0.402 1.00 0.00 N ATOM 0 H LYS A 4 3.552 -7.570 0.666 1.00 0.00 H new ATOM 0 HA LYS A 4 5.640 -8.428 -1.234 1.00 0.00 H new ATOM 0 HB2 LYS A 4 6.827 -6.970 0.251 1.00 0.00 H new ATOM 0 HB3 LYS A 4 5.963 -7.563 1.656 1.00 0.00 H new ATOM 0 HG2 LYS A 4 8.198 -8.479 1.682 1.00 0.00 H new ATOM 0 HG3 LYS A 4 7.068 -9.783 1.379 1.00 0.00 H new ATOM 0 HD2 LYS A 4 7.568 -9.109 -1.182 1.00 0.00 H new ATOM 0 HD3 LYS A 4 9.060 -8.521 -0.476 1.00 0.00 H new ATOM 0 HE2 LYS A 4 8.066 -11.292 0.209 1.00 0.00 H new ATOM 0 HE3 LYS A 4 8.889 -11.015 -1.314 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 10.432 -11.700 0.405 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 10.785 -10.116 -0.093 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 9.987 -10.384 1.382 1.00 0.00 H new ATOM 71 N PHE A 5 5.522 -10.793 -0.365 1.00 0.00 N ATOM 72 CA PHE A 5 5.232 -12.185 -0.042 1.00 0.00 C ATOM 73 C PHE A 5 5.296 -12.419 1.464 1.00 0.00 C ATOM 74 O PHE A 5 6.353 -12.287 2.080 1.00 0.00 O ATOM 75 CB PHE A 5 6.219 -13.112 -0.756 1.00 0.00 C ATOM 76 CG PHE A 5 6.383 -12.801 -2.217 1.00 0.00 C ATOM 77 CD1 PHE A 5 5.315 -12.332 -2.963 1.00 0.00 C ATOM 78 CD2 PHE A 5 7.607 -12.978 -2.842 1.00 0.00 C ATOM 79 CE1 PHE A 5 5.464 -12.046 -4.307 1.00 0.00 C ATOM 80 CE2 PHE A 5 7.762 -12.694 -4.186 1.00 0.00 C ATOM 81 CZ PHE A 5 6.689 -12.226 -4.919 1.00 0.00 C ATOM 0 H PHE A 5 6.251 -10.666 -1.067 1.00 0.00 H new ATOM 0 HA PHE A 5 4.221 -12.408 -0.384 1.00 0.00 H new ATOM 0 HB2 PHE A 5 7.190 -13.042 -0.266 1.00 0.00 H new ATOM 0 HB3 PHE A 5 5.881 -14.143 -0.648 1.00 0.00 H new ATOM 0 HD1 PHE A 5 4.355 -12.188 -2.490 1.00 0.00 H new ATOM 0 HD2 PHE A 5 8.449 -13.342 -2.273 1.00 0.00 H new ATOM 0 HE1 PHE A 5 4.623 -11.682 -4.878 1.00 0.00 H new ATOM 0 HE2 PHE A 5 8.721 -12.838 -4.662 1.00 0.00 H new ATOM 0 HZ PHE A 5 6.808 -12.001 -5.969 1.00 0.00 H new ATOM 91 N GLY A 6 4.156 -12.768 2.052 1.00 0.00 N ATOM 92 CA GLY A 6 4.103 -13.015 3.481 1.00 0.00 C ATOM 93 C GLY A 6 4.966 -14.188 3.899 1.00 0.00 C ATOM 94 O GLY A 6 5.755 -14.703 3.107 1.00 0.00 O ATOM 0 H GLY A 6 3.268 -12.884 1.564 1.00 0.00 H new ATOM 0 HA2 GLY A 6 4.428 -12.121 4.013 1.00 0.00 H new ATOM 0 HA3 GLY A 6 3.071 -13.204 3.776 1.00 0.00 H new ATOM 98 N LYS A 7 4.818 -14.613 5.150 1.00 0.00 N ATOM 99 CA LYS A 7 5.590 -15.733 5.674 1.00 0.00 C ATOM 100 C LYS A 7 5.284 -17.013 4.903 1.00 0.00 C ATOM 101 O LYS A 7 6.170 -17.833 4.666 1.00 0.00 O ATOM 102 CB LYS A 7 5.289 -15.936 7.160 1.00 0.00 C ATOM 103 CG LYS A 7 3.814 -16.144 7.459 1.00 0.00 C ATOM 104 CD LYS A 7 3.480 -17.617 7.622 1.00 0.00 C ATOM 105 CE LYS A 7 3.811 -18.112 9.022 1.00 0.00 C ATOM 106 NZ LYS A 7 2.977 -17.442 10.058 1.00 0.00 N ATOM 0 H LYS A 7 4.170 -14.198 5.820 1.00 0.00 H new ATOM 0 HA LYS A 7 6.648 -15.501 5.552 1.00 0.00 H new ATOM 0 HB2 LYS A 7 5.849 -16.798 7.521 1.00 0.00 H new ATOM 0 HB3 LYS A 7 5.645 -15.069 7.716 1.00 0.00 H new ATOM 0 HG2 LYS A 7 3.547 -15.607 8.369 1.00 0.00 H new ATOM 0 HG3 LYS A 7 3.215 -15.721 6.652 1.00 0.00 H new ATOM 0 HD2 LYS A 7 2.421 -17.776 7.420 1.00 0.00 H new ATOM 0 HD3 LYS A 7 4.035 -18.201 6.888 1.00 0.00 H new ATOM 0 HE2 LYS A 7 3.656 -19.190 9.072 1.00 0.00 H new ATOM 0 HE3 LYS A 7 4.865 -17.931 9.231 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 2.473 -18.161 10.616 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 3.588 -16.881 10.686 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 2.287 -16.816 9.596 1.00 0.00 H new ATOM 120 N ASN A 8 4.024 -17.177 4.513 1.00 0.00 N ATOM 121 CA ASN A 8 3.602 -18.357 3.768 1.00 0.00 C ATOM 122 C ASN A 8 4.023 -18.257 2.305 1.00 0.00 C ATOM 123 O ASN A 8 4.538 -19.215 1.729 1.00 0.00 O ATOM 124 CB ASN A 8 2.084 -18.530 3.862 1.00 0.00 C ATOM 125 CG ASN A 8 1.631 -18.904 5.260 1.00 0.00 C ATOM 126 OD1 ASN A 8 0.732 -18.277 5.821 1.00 0.00 O ATOM 127 ND2 ASN A 8 2.254 -19.929 5.830 1.00 0.00 N ATOM 0 H ASN A 8 3.278 -16.508 4.701 1.00 0.00 H new ATOM 0 HA ASN A 8 4.089 -19.227 4.209 1.00 0.00 H new ATOM 0 HB2 ASN A 8 1.596 -17.603 3.561 1.00 0.00 H new ATOM 0 HB3 ASN A 8 1.765 -19.301 3.161 1.00 0.00 H new ATOM 0 HD21 ASN A 8 1.993 -20.226 6.770 1.00 0.00 H new ATOM 0 HD22 ASN A 8 2.994 -20.420 5.327 1.00 0.00 H new ATOM 134 N SER A 9 3.802 -17.089 1.710 1.00 0.00 N ATOM 135 CA SER A 9 4.156 -16.863 0.314 1.00 0.00 C ATOM 136 C SER A 9 5.658 -17.021 0.101 1.00 0.00 C ATOM 137 O SER A 9 6.097 -17.756 -0.783 1.00 0.00 O ATOM 138 CB SER A 9 3.710 -15.467 -0.128 1.00 0.00 C ATOM 139 OG SER A 9 2.300 -15.343 -0.081 1.00 0.00 O ATOM 0 H SER A 9 3.379 -16.285 2.173 1.00 0.00 H new ATOM 0 HA SER A 9 3.641 -17.610 -0.291 1.00 0.00 H new ATOM 0 HB2 SER A 9 4.166 -14.715 0.516 1.00 0.00 H new ATOM 0 HB3 SER A 9 4.062 -15.274 -1.141 1.00 0.00 H new ATOM 0 HG SER A 9 2.050 -14.404 -0.210 1.00 0.00 H new ATOM 145 N GLU A 10 6.441 -16.324 0.919 1.00 0.00 N ATOM 146 CA GLU A 10 7.895 -16.386 0.820 1.00 0.00 C ATOM 147 C GLU A 10 8.380 -17.833 0.827 1.00 0.00 C ATOM 148 O GLU A 10 9.285 -18.200 0.078 1.00 0.00 O ATOM 149 CB GLU A 10 8.540 -15.615 1.974 1.00 0.00 C ATOM 150 CG GLU A 10 10.041 -15.825 2.082 1.00 0.00 C ATOM 151 CD GLU A 10 10.717 -14.772 2.939 1.00 0.00 C ATOM 152 OE1 GLU A 10 10.891 -13.634 2.455 1.00 0.00 O ATOM 153 OE2 GLU A 10 11.071 -15.086 4.095 1.00 0.00 O ATOM 0 H GLU A 10 6.094 -15.711 1.656 1.00 0.00 H new ATOM 0 HA GLU A 10 8.189 -15.927 -0.124 1.00 0.00 H new ATOM 0 HB2 GLU A 10 8.339 -14.551 1.847 1.00 0.00 H new ATOM 0 HB3 GLU A 10 8.071 -15.919 2.910 1.00 0.00 H new ATOM 0 HG2 GLU A 10 10.237 -16.811 2.503 1.00 0.00 H new ATOM 0 HG3 GLU A 10 10.479 -15.812 1.084 1.00 0.00 H new ATOM 160 N LYS A 11 7.770 -18.651 1.679 1.00 0.00 N ATOM 161 CA LYS A 11 8.137 -20.058 1.784 1.00 0.00 C ATOM 162 C LYS A 11 7.575 -20.856 0.612 1.00 0.00 C ATOM 163 O LYS A 11 8.150 -21.865 0.205 1.00 0.00 O ATOM 164 CB LYS A 11 7.626 -20.642 3.104 1.00 0.00 C ATOM 165 CG LYS A 11 6.363 -21.471 2.953 1.00 0.00 C ATOM 166 CD LYS A 11 6.681 -22.916 2.608 1.00 0.00 C ATOM 167 CE LYS A 11 5.817 -23.419 1.462 1.00 0.00 C ATOM 168 NZ LYS A 11 5.271 -24.777 1.734 1.00 0.00 N ATOM 0 H LYS A 11 7.019 -18.363 2.307 1.00 0.00 H new ATOM 0 HA LYS A 11 9.225 -20.127 1.759 1.00 0.00 H new ATOM 0 HB2 LYS A 11 8.407 -21.262 3.544 1.00 0.00 H new ATOM 0 HB3 LYS A 11 7.435 -19.827 3.802 1.00 0.00 H new ATOM 0 HG2 LYS A 11 5.790 -21.435 3.880 1.00 0.00 H new ATOM 0 HG3 LYS A 11 5.735 -21.040 2.173 1.00 0.00 H new ATOM 0 HD2 LYS A 11 7.733 -23.003 2.337 1.00 0.00 H new ATOM 0 HD3 LYS A 11 6.525 -23.543 3.485 1.00 0.00 H new ATOM 0 HE2 LYS A 11 4.994 -22.724 1.295 1.00 0.00 H new ATOM 0 HE3 LYS A 11 6.407 -23.441 0.545 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 4.688 -25.084 0.930 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 6.056 -25.446 1.868 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 4.687 -24.751 2.594 1.00 0.00 H new ATOM 182 N GLN A 12 6.451 -20.396 0.074 1.00 0.00 N ATOM 183 CA GLN A 12 5.813 -21.068 -1.053 1.00 0.00 C ATOM 184 C GLN A 12 6.716 -21.046 -2.282 1.00 0.00 C ATOM 185 O GLN A 12 6.967 -22.082 -2.899 1.00 0.00 O ATOM 186 CB GLN A 12 4.474 -20.404 -1.377 1.00 0.00 C ATOM 187 CG GLN A 12 3.363 -20.769 -0.406 1.00 0.00 C ATOM 188 CD GLN A 12 2.490 -21.899 -0.915 1.00 0.00 C ATOM 189 OE1 GLN A 12 1.550 -21.677 -1.679 1.00 0.00 O ATOM 190 NE2 GLN A 12 2.797 -23.120 -0.494 1.00 0.00 N ATOM 0 H GLN A 12 5.963 -19.562 0.399 1.00 0.00 H new ATOM 0 HA GLN A 12 5.637 -22.107 -0.773 1.00 0.00 H new ATOM 0 HB2 GLN A 12 4.605 -19.322 -1.376 1.00 0.00 H new ATOM 0 HB3 GLN A 12 4.172 -20.688 -2.385 1.00 0.00 H new ATOM 0 HG2 GLN A 12 3.801 -21.056 0.550 1.00 0.00 H new ATOM 0 HG3 GLN A 12 2.744 -19.891 -0.222 1.00 0.00 H new ATOM 0 HE21 GLN A 12 3.585 -23.258 0.139 1.00 0.00 H new ATOM 0 HE22 GLN A 12 2.245 -23.920 -0.804 1.00 0.00 H new ATOM 199 N LEU A 13 7.202 -19.860 -2.631 1.00 0.00 N ATOM 200 CA LEU A 13 8.078 -19.703 -3.788 1.00 0.00 C ATOM 201 C LEU A 13 9.483 -20.209 -3.479 1.00 0.00 C ATOM 202 O LEU A 13 10.225 -20.598 -4.380 1.00 0.00 O ATOM 203 CB LEU A 13 8.134 -18.235 -4.214 1.00 0.00 C ATOM 204 CG LEU A 13 6.830 -17.641 -4.748 1.00 0.00 C ATOM 205 CD1 LEU A 13 6.163 -18.602 -5.719 1.00 0.00 C ATOM 206 CD2 LEU A 13 5.890 -17.301 -3.600 1.00 0.00 C ATOM 0 H LEU A 13 7.005 -18.993 -2.130 1.00 0.00 H new ATOM 0 HA LEU A 13 7.670 -20.297 -4.606 1.00 0.00 H new ATOM 0 HB2 LEU A 13 8.457 -17.641 -3.359 1.00 0.00 H new ATOM 0 HB3 LEU A 13 8.900 -18.129 -4.983 1.00 0.00 H new ATOM 0 HG LEU A 13 7.065 -16.721 -5.284 1.00 0.00 H new ATOM 0 HD11 LEU A 13 5.237 -18.162 -6.088 1.00 0.00 H new ATOM 0 HD12 LEU A 13 6.832 -18.795 -6.557 1.00 0.00 H new ATOM 0 HD13 LEU A 13 5.941 -19.539 -5.209 1.00 0.00 H new ATOM 0 HD21 LEU A 13 4.967 -16.879 -3.998 1.00 0.00 H new ATOM 0 HD22 LEU A 13 5.662 -18.206 -3.036 1.00 0.00 H new ATOM 0 HD23 LEU A 13 6.367 -16.574 -2.942 1.00 0.00 H new ATOM 218 N ALA A 14 9.841 -20.203 -2.199 1.00 0.00 N ATOM 219 CA ALA A 14 11.155 -20.665 -1.771 1.00 0.00 C ATOM 220 C ALA A 14 11.255 -22.185 -1.851 1.00 0.00 C ATOM 221 O ALA A 14 12.345 -22.752 -1.758 1.00 0.00 O ATOM 222 CB ALA A 14 11.448 -20.188 -0.356 1.00 0.00 C ATOM 0 H ALA A 14 9.239 -19.883 -1.440 1.00 0.00 H new ATOM 0 HA ALA A 14 11.899 -20.242 -2.446 1.00 0.00 H new ATOM 0 HB1 ALA A 14 12.433 -20.541 -0.050 1.00 0.00 H new ATOM 0 HB2 ALA A 14 11.428 -19.099 -0.328 1.00 0.00 H new ATOM 0 HB3 ALA A 14 10.694 -20.583 0.325 1.00 0.00 H new ATOM 228 N THR A 15 10.111 -22.840 -2.021 1.00 0.00 N ATOM 229 CA THR A 15 10.070 -24.294 -2.111 1.00 0.00 C ATOM 230 C THR A 15 9.967 -24.753 -3.561 1.00 0.00 C ATOM 231 O THR A 15 10.046 -25.947 -3.853 1.00 0.00 O ATOM 232 CB THR A 15 8.884 -24.873 -1.317 1.00 0.00 C ATOM 233 OG1 THR A 15 7.798 -23.940 -1.309 1.00 0.00 O ATOM 234 CG2 THR A 15 9.295 -25.192 0.113 1.00 0.00 C ATOM 0 H THR A 15 9.201 -22.387 -2.099 1.00 0.00 H new ATOM 0 HA THR A 15 11.001 -24.663 -1.681 1.00 0.00 H new ATOM 0 HB THR A 15 8.566 -25.796 -1.802 1.00 0.00 H new ATOM 0 HG1 THR A 15 7.963 -23.251 -0.632 1.00 0.00 H new ATOM 0 HG21 THR A 15 8.441 -25.600 0.655 1.00 0.00 H new ATOM 0 HG22 THR A 15 10.103 -25.924 0.105 1.00 0.00 H new ATOM 0 HG23 THR A 15 9.636 -24.281 0.605 1.00 0.00 H new ATOM 242 N VAL A 16 9.792 -23.797 -4.469 1.00 0.00 N ATOM 243 CA VAL A 16 9.681 -24.103 -5.890 1.00 0.00 C ATOM 244 C VAL A 16 10.964 -24.733 -6.419 1.00 0.00 C ATOM 245 O VAL A 16 12.065 -24.362 -6.011 1.00 0.00 O ATOM 246 CB VAL A 16 9.365 -22.840 -6.713 1.00 0.00 C ATOM 247 CG1 VAL A 16 10.634 -22.047 -6.982 1.00 0.00 C ATOM 248 CG2 VAL A 16 8.673 -23.213 -8.015 1.00 0.00 C ATOM 0 H VAL A 16 9.724 -22.804 -4.245 1.00 0.00 H new ATOM 0 HA VAL A 16 8.861 -24.813 -5.997 1.00 0.00 H new ATOM 0 HB VAL A 16 8.688 -22.211 -6.136 1.00 0.00 H new ATOM 0 HG11 VAL A 16 10.391 -21.158 -7.565 1.00 0.00 H new ATOM 0 HG12 VAL A 16 11.084 -21.748 -6.035 1.00 0.00 H new ATOM 0 HG13 VAL A 16 11.338 -22.665 -7.539 1.00 0.00 H new ATOM 0 HG21 VAL A 16 8.457 -22.309 -8.584 1.00 0.00 H new ATOM 0 HG22 VAL A 16 9.324 -23.863 -8.600 1.00 0.00 H new ATOM 0 HG23 VAL A 16 7.742 -23.735 -7.795 1.00 0.00 H new ATOM 258 N LYS A 17 10.816 -25.688 -7.330 1.00 0.00 N ATOM 259 CA LYS A 17 11.963 -26.370 -7.918 1.00 0.00 C ATOM 260 C LYS A 17 12.708 -25.451 -8.881 1.00 0.00 C ATOM 261 O LYS A 17 13.890 -25.155 -8.706 1.00 0.00 O ATOM 262 CB LYS A 17 11.510 -27.635 -8.651 1.00 0.00 C ATOM 263 CG LYS A 17 12.029 -28.919 -8.026 1.00 0.00 C ATOM 264 CD LYS A 17 11.259 -29.276 -6.766 1.00 0.00 C ATOM 265 CE LYS A 17 10.153 -30.280 -7.054 1.00 0.00 C ATOM 266 NZ LYS A 17 9.934 -31.207 -5.910 1.00 0.00 N ATOM 0 H LYS A 17 9.912 -26.008 -7.678 1.00 0.00 H new ATOM 0 HA LYS A 17 12.641 -26.648 -7.111 1.00 0.00 H new ATOM 0 HB2 LYS A 17 10.421 -27.664 -8.669 1.00 0.00 H new ATOM 0 HB3 LYS A 17 11.845 -27.584 -9.687 1.00 0.00 H new ATOM 0 HG2 LYS A 17 11.949 -29.734 -8.746 1.00 0.00 H new ATOM 0 HG3 LYS A 17 13.087 -28.807 -7.788 1.00 0.00 H new ATOM 0 HD2 LYS A 17 11.943 -29.689 -6.025 1.00 0.00 H new ATOM 0 HD3 LYS A 17 10.828 -28.373 -6.333 1.00 0.00 H new ATOM 0 HE2 LYS A 17 9.227 -29.748 -7.272 1.00 0.00 H new ATOM 0 HE3 LYS A 17 10.408 -30.855 -7.944 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 9.173 -31.875 -6.146 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 10.810 -31.734 -5.717 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 9.666 -30.660 -5.067 1.00 0.00 H new ATOM 280 N PRO A 18 12.001 -24.987 -9.923 1.00 0.00 N ATOM 281 CA PRO A 18 12.575 -24.093 -10.933 1.00 0.00 C ATOM 282 C PRO A 18 12.860 -22.700 -10.380 1.00 0.00 C ATOM 283 O PRO A 18 12.877 -22.497 -9.166 1.00 0.00 O ATOM 284 CB PRO A 18 11.488 -24.028 -12.008 1.00 0.00 C ATOM 285 CG PRO A 18 10.221 -24.331 -11.285 1.00 0.00 C ATOM 286 CD PRO A 18 10.588 -25.298 -10.194 1.00 0.00 C ATOM 0 HA PRO A 18 13.535 -24.456 -11.299 1.00 0.00 H new ATOM 0 HB2 PRO A 18 11.452 -23.044 -12.475 1.00 0.00 H new ATOM 0 HB3 PRO A 18 11.673 -24.751 -12.802 1.00 0.00 H new ATOM 0 HG2 PRO A 18 9.782 -23.424 -10.871 1.00 0.00 H new ATOM 0 HG3 PRO A 18 9.482 -24.765 -11.958 1.00 0.00 H new ATOM 0 HD2 PRO A 18 9.969 -25.158 -9.308 1.00 0.00 H new ATOM 0 HD3 PRO A 18 10.458 -26.332 -10.513 1.00 0.00 H new ATOM 294 N GLU A 19 13.084 -21.746 -11.278 1.00 0.00 N ATOM 295 CA GLU A 19 13.369 -20.373 -10.878 1.00 0.00 C ATOM 296 C GLU A 19 12.236 -19.439 -11.295 1.00 0.00 C ATOM 297 O GLU A 19 12.407 -18.220 -11.342 1.00 0.00 O ATOM 298 CB GLU A 19 14.687 -19.902 -11.495 1.00 0.00 C ATOM 299 CG GLU A 19 14.794 -20.176 -12.985 1.00 0.00 C ATOM 300 CD GLU A 19 15.670 -21.373 -13.297 1.00 0.00 C ATOM 301 OE1 GLU A 19 16.798 -21.437 -12.765 1.00 0.00 O ATOM 302 OE2 GLU A 19 15.229 -22.246 -14.073 1.00 0.00 O ATOM 0 H GLU A 19 13.074 -21.898 -12.286 1.00 0.00 H new ATOM 0 HA GLU A 19 13.456 -20.348 -9.792 1.00 0.00 H new ATOM 0 HB2 GLU A 19 14.797 -18.831 -11.322 1.00 0.00 H new ATOM 0 HB3 GLU A 19 15.514 -20.394 -10.983 1.00 0.00 H new ATOM 0 HG2 GLU A 19 13.797 -20.344 -13.392 1.00 0.00 H new ATOM 0 HG3 GLU A 19 15.198 -19.295 -13.484 1.00 0.00 H new ATOM 309 N LEU A 20 11.081 -20.019 -11.599 1.00 0.00 N ATOM 310 CA LEU A 20 9.919 -19.240 -12.013 1.00 0.00 C ATOM 311 C LEU A 20 9.628 -18.124 -11.015 1.00 0.00 C ATOM 312 O LEU A 20 9.209 -17.031 -11.397 1.00 0.00 O ATOM 313 CB LEU A 20 8.695 -20.147 -12.153 1.00 0.00 C ATOM 314 CG LEU A 20 8.135 -20.723 -10.852 1.00 0.00 C ATOM 315 CD1 LEU A 20 7.123 -19.768 -10.237 1.00 0.00 C ATOM 316 CD2 LEU A 20 7.504 -22.085 -11.100 1.00 0.00 C ATOM 0 H LEU A 20 10.924 -21.026 -11.567 1.00 0.00 H new ATOM 0 HA LEU A 20 10.141 -18.789 -12.980 1.00 0.00 H new ATOM 0 HB2 LEU A 20 7.904 -19.583 -12.647 1.00 0.00 H new ATOM 0 HB3 LEU A 20 8.955 -20.976 -12.812 1.00 0.00 H new ATOM 0 HG LEU A 20 8.958 -20.849 -10.149 1.00 0.00 H new ATOM 0 HD11 LEU A 20 6.735 -20.195 -9.312 1.00 0.00 H new ATOM 0 HD12 LEU A 20 7.606 -18.815 -10.022 1.00 0.00 H new ATOM 0 HD13 LEU A 20 6.301 -19.609 -10.936 1.00 0.00 H new ATOM 0 HD21 LEU A 20 7.111 -22.480 -10.163 1.00 0.00 H new ATOM 0 HD22 LEU A 20 6.692 -21.984 -11.820 1.00 0.00 H new ATOM 0 HD23 LEU A 20 8.256 -22.768 -11.494 1.00 0.00 H new ATOM 328 N GLN A 21 9.854 -18.406 -9.736 1.00 0.00 N ATOM 329 CA GLN A 21 9.617 -17.425 -8.684 1.00 0.00 C ATOM 330 C GLN A 21 10.407 -16.146 -8.945 1.00 0.00 C ATOM 331 O GLN A 21 9.965 -15.050 -8.600 1.00 0.00 O ATOM 332 CB GLN A 21 9.999 -18.005 -7.321 1.00 0.00 C ATOM 333 CG GLN A 21 11.461 -18.410 -7.220 1.00 0.00 C ATOM 334 CD GLN A 21 12.338 -17.297 -6.681 1.00 0.00 C ATOM 335 OE1 GLN A 21 11.851 -16.225 -6.321 1.00 0.00 O ATOM 336 NE2 GLN A 21 13.641 -17.547 -6.621 1.00 0.00 N ATOM 0 H GLN A 21 10.201 -19.306 -9.403 1.00 0.00 H new ATOM 0 HA GLN A 21 8.555 -17.181 -8.682 1.00 0.00 H new ATOM 0 HB2 GLN A 21 9.780 -17.268 -6.548 1.00 0.00 H new ATOM 0 HB3 GLN A 21 9.375 -18.875 -7.118 1.00 0.00 H new ATOM 0 HG2 GLN A 21 11.549 -19.283 -6.573 1.00 0.00 H new ATOM 0 HG3 GLN A 21 11.821 -18.707 -8.205 1.00 0.00 H new ATOM 0 HE21 GLN A 21 14.002 -18.450 -6.930 1.00 0.00 H new ATOM 0 HE22 GLN A 21 14.281 -16.836 -6.266 1.00 0.00 H new ATOM 345 N LYS A 22 11.578 -16.294 -9.555 1.00 0.00 N ATOM 346 CA LYS A 22 12.430 -15.151 -9.863 1.00 0.00 C ATOM 347 C LYS A 22 11.643 -14.066 -10.591 1.00 0.00 C ATOM 348 O LYS A 22 11.740 -12.885 -10.257 1.00 0.00 O ATOM 349 CB LYS A 22 13.620 -15.592 -10.717 1.00 0.00 C ATOM 350 CG LYS A 22 14.573 -16.529 -9.995 1.00 0.00 C ATOM 351 CD LYS A 22 15.928 -16.585 -10.682 1.00 0.00 C ATOM 352 CE LYS A 22 16.752 -15.341 -10.391 1.00 0.00 C ATOM 353 NZ LYS A 22 18.010 -15.310 -11.188 1.00 0.00 N ATOM 0 H LYS A 22 11.959 -17.194 -9.846 1.00 0.00 H new ATOM 0 HA LYS A 22 12.797 -14.740 -8.923 1.00 0.00 H new ATOM 0 HB2 LYS A 22 13.249 -16.086 -11.615 1.00 0.00 H new ATOM 0 HB3 LYS A 22 14.170 -14.709 -11.043 1.00 0.00 H new ATOM 0 HG2 LYS A 22 14.700 -16.197 -8.965 1.00 0.00 H new ATOM 0 HG3 LYS A 22 14.142 -17.529 -9.957 1.00 0.00 H new ATOM 0 HD2 LYS A 22 16.471 -17.469 -10.347 1.00 0.00 H new ATOM 0 HD3 LYS A 22 15.788 -16.686 -11.758 1.00 0.00 H new ATOM 0 HE2 LYS A 22 16.160 -14.453 -10.612 1.00 0.00 H new ATOM 0 HE3 LYS A 22 16.994 -15.306 -9.329 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 18.544 -14.447 -10.961 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 18.587 -16.144 -10.958 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 17.779 -15.318 -12.202 1.00 0.00 H new ATOM 367 N VAL A 23 10.862 -14.474 -11.586 1.00 0.00 N ATOM 368 CA VAL A 23 10.056 -13.537 -12.360 1.00 0.00 C ATOM 369 C VAL A 23 8.958 -12.919 -11.502 1.00 0.00 C ATOM 370 O VAL A 23 8.632 -11.741 -11.647 1.00 0.00 O ATOM 371 CB VAL A 23 9.414 -14.223 -13.580 1.00 0.00 C ATOM 372 CG1 VAL A 23 8.184 -13.456 -14.038 1.00 0.00 C ATOM 373 CG2 VAL A 23 10.424 -14.352 -14.711 1.00 0.00 C ATOM 0 H VAL A 23 10.770 -15.448 -11.875 1.00 0.00 H new ATOM 0 HA VAL A 23 10.728 -12.752 -12.707 1.00 0.00 H new ATOM 0 HB VAL A 23 9.100 -15.225 -13.288 1.00 0.00 H new ATOM 0 HG11 VAL A 23 7.744 -13.956 -14.901 1.00 0.00 H new ATOM 0 HG12 VAL A 23 7.455 -13.421 -13.228 1.00 0.00 H new ATOM 0 HG13 VAL A 23 8.470 -12.441 -14.313 1.00 0.00 H new ATOM 0 HG21 VAL A 23 9.954 -14.839 -15.565 1.00 0.00 H new ATOM 0 HG22 VAL A 23 10.771 -13.361 -15.004 1.00 0.00 H new ATOM 0 HG23 VAL A 23 11.272 -14.949 -14.375 1.00 0.00 H new ATOM 383 N ALA A 24 8.391 -13.722 -10.607 1.00 0.00 N ATOM 384 CA ALA A 24 7.331 -13.253 -9.724 1.00 0.00 C ATOM 385 C ALA A 24 7.816 -12.106 -8.844 1.00 0.00 C ATOM 386 O ALA A 24 7.201 -11.041 -8.801 1.00 0.00 O ATOM 387 CB ALA A 24 6.815 -14.398 -8.865 1.00 0.00 C ATOM 0 H ALA A 24 8.648 -14.700 -10.475 1.00 0.00 H new ATOM 0 HA ALA A 24 6.515 -12.881 -10.343 1.00 0.00 H new ATOM 0 HB1 ALA A 24 6.024 -14.034 -8.210 1.00 0.00 H new ATOM 0 HB2 ALA A 24 6.421 -15.186 -9.507 1.00 0.00 H new ATOM 0 HB3 ALA A 24 7.631 -14.796 -8.261 1.00 0.00 H new ATOM 393 N ARG A 25 8.923 -12.332 -8.143 1.00 0.00 N ATOM 394 CA ARG A 25 9.489 -11.318 -7.262 1.00 0.00 C ATOM 395 C ARG A 25 9.914 -10.085 -8.055 1.00 0.00 C ATOM 396 O ARG A 25 9.585 -8.956 -7.689 1.00 0.00 O ATOM 397 CB ARG A 25 10.688 -11.885 -6.500 1.00 0.00 C ATOM 398 CG ARG A 25 11.730 -12.532 -7.399 1.00 0.00 C ATOM 399 CD ARG A 25 12.778 -13.279 -6.589 1.00 0.00 C ATOM 400 NE ARG A 25 14.078 -12.613 -6.630 1.00 0.00 N ATOM 401 CZ ARG A 25 15.131 -13.013 -5.926 1.00 0.00 C ATOM 402 NH1 ARG A 25 15.038 -14.069 -5.130 1.00 0.00 N ATOM 403 NH2 ARG A 25 16.280 -12.356 -6.018 1.00 0.00 N ATOM 0 H ARG A 25 9.445 -13.208 -8.168 1.00 0.00 H new ATOM 0 HA ARG A 25 8.720 -11.023 -6.548 1.00 0.00 H new ATOM 0 HB2 ARG A 25 11.159 -11.083 -5.931 1.00 0.00 H new ATOM 0 HB3 ARG A 25 10.334 -12.622 -5.779 1.00 0.00 H new ATOM 0 HG2 ARG A 25 11.241 -13.221 -8.087 1.00 0.00 H new ATOM 0 HG3 ARG A 25 12.215 -11.767 -8.005 1.00 0.00 H new ATOM 0 HD2 ARG A 25 12.445 -13.362 -5.554 1.00 0.00 H new ATOM 0 HD3 ARG A 25 12.878 -14.294 -6.974 1.00 0.00 H new ATOM 0 HE ARG A 25 14.183 -11.796 -7.232 1.00 0.00 H new ATOM 0 HH11 ARG A 25 14.156 -14.577 -5.057 1.00 0.00 H new ATOM 0 HH12 ARG A 25 15.848 -14.374 -4.591 1.00 0.00 H new ATOM 0 HH21 ARG A 25 16.355 -11.543 -6.630 1.00 0.00 H new ATOM 0 HH22 ARG A 25 17.088 -12.664 -5.477 1.00 0.00 H new ATOM 417 N ARG A 26 10.646 -10.310 -9.141 1.00 0.00 N ATOM 418 CA ARG A 26 11.116 -9.217 -9.984 1.00 0.00 C ATOM 419 C ARG A 26 9.943 -8.455 -10.592 1.00 0.00 C ATOM 420 O ARG A 26 10.022 -7.247 -10.814 1.00 0.00 O ATOM 421 CB ARG A 26 12.019 -9.756 -11.096 1.00 0.00 C ATOM 422 CG ARG A 26 13.476 -9.893 -10.685 1.00 0.00 C ATOM 423 CD ARG A 26 14.398 -9.158 -11.646 1.00 0.00 C ATOM 424 NE ARG A 26 15.796 -9.535 -11.460 1.00 0.00 N ATOM 425 CZ ARG A 26 16.810 -8.916 -12.053 1.00 0.00 C ATOM 426 NH1 ARG A 26 16.582 -7.894 -12.866 1.00 0.00 N ATOM 427 NH2 ARG A 26 18.055 -9.318 -11.834 1.00 0.00 N ATOM 0 H ARG A 26 10.926 -11.238 -9.458 1.00 0.00 H new ATOM 0 HA ARG A 26 11.688 -8.530 -9.360 1.00 0.00 H new ATOM 0 HB2 ARG A 26 11.647 -10.730 -11.414 1.00 0.00 H new ATOM 0 HB3 ARG A 26 11.954 -9.093 -11.958 1.00 0.00 H new ATOM 0 HG2 ARG A 26 13.610 -9.499 -9.678 1.00 0.00 H new ATOM 0 HG3 ARG A 26 13.748 -10.948 -10.653 1.00 0.00 H new ATOM 0 HD2 ARG A 26 14.098 -9.373 -12.672 1.00 0.00 H new ATOM 0 HD3 ARG A 26 14.290 -8.083 -11.501 1.00 0.00 H new ATOM 0 HE ARG A 26 16.005 -10.317 -10.840 1.00 0.00 H new ATOM 0 HH11 ARG A 26 15.626 -7.582 -13.037 1.00 0.00 H new ATOM 0 HH12 ARG A 26 17.362 -7.420 -13.320 1.00 0.00 H new ATOM 0 HH21 ARG A 26 18.235 -10.104 -11.209 1.00 0.00 H new ATOM 0 HH22 ARG A 26 18.833 -8.841 -12.290 1.00 0.00 H new ATOM 441 N ALA A 27 8.854 -9.169 -10.860 1.00 0.00 N ATOM 442 CA ALA A 27 7.664 -8.560 -11.440 1.00 0.00 C ATOM 443 C ALA A 27 6.983 -7.628 -10.444 1.00 0.00 C ATOM 444 O ALA A 27 6.509 -6.552 -10.810 1.00 0.00 O ATOM 445 CB ALA A 27 6.695 -9.636 -11.907 1.00 0.00 C ATOM 0 H ALA A 27 8.772 -10.170 -10.684 1.00 0.00 H new ATOM 0 HA ALA A 27 7.973 -7.966 -12.300 1.00 0.00 H new ATOM 0 HB1 ALA A 27 5.811 -9.167 -12.338 1.00 0.00 H new ATOM 0 HB2 ALA A 27 7.178 -10.259 -12.659 1.00 0.00 H new ATOM 0 HB3 ALA A 27 6.401 -10.254 -11.059 1.00 0.00 H new ATOM 451 N LEU A 28 6.938 -8.047 -9.185 1.00 0.00 N ATOM 452 CA LEU A 28 6.313 -7.249 -8.135 1.00 0.00 C ATOM 453 C LEU A 28 6.819 -5.811 -8.171 1.00 0.00 C ATOM 454 O LEU A 28 6.081 -4.876 -7.861 1.00 0.00 O ATOM 455 CB LEU A 28 6.593 -7.866 -6.763 1.00 0.00 C ATOM 456 CG LEU A 28 5.528 -7.633 -5.692 1.00 0.00 C ATOM 457 CD1 LEU A 28 5.264 -8.912 -4.914 1.00 0.00 C ATOM 458 CD2 LEU A 28 5.952 -6.513 -4.753 1.00 0.00 C ATOM 0 H LEU A 28 7.326 -8.934 -8.866 1.00 0.00 H new ATOM 0 HA LEU A 28 5.237 -7.241 -8.310 1.00 0.00 H new ATOM 0 HB2 LEU A 28 6.723 -8.941 -6.890 1.00 0.00 H new ATOM 0 HB3 LEU A 28 7.541 -7.472 -6.396 1.00 0.00 H new ATOM 0 HG LEU A 28 4.603 -7.336 -6.186 1.00 0.00 H new ATOM 0 HD11 LEU A 28 4.503 -8.726 -4.156 1.00 0.00 H new ATOM 0 HD12 LEU A 28 4.915 -9.687 -5.596 1.00 0.00 H new ATOM 0 HD13 LEU A 28 6.184 -9.241 -4.431 1.00 0.00 H new ATOM 0 HD21 LEU A 28 5.182 -6.361 -3.997 1.00 0.00 H new ATOM 0 HD22 LEU A 28 6.890 -6.781 -4.267 1.00 0.00 H new ATOM 0 HD23 LEU A 28 6.089 -5.593 -5.322 1.00 0.00 H new ATOM 470 N GLU A 29 8.081 -5.642 -8.553 1.00 0.00 N ATOM 471 CA GLU A 29 8.684 -4.316 -8.631 1.00 0.00 C ATOM 472 C GLU A 29 8.500 -3.716 -10.022 1.00 0.00 C ATOM 473 O GLU A 29 8.009 -2.596 -10.167 1.00 0.00 O ATOM 474 CB GLU A 29 10.173 -4.388 -8.287 1.00 0.00 C ATOM 475 CG GLU A 29 10.479 -5.277 -7.093 1.00 0.00 C ATOM 476 CD GLU A 29 11.513 -4.670 -6.164 1.00 0.00 C ATOM 477 OE1 GLU A 29 11.163 -3.733 -5.417 1.00 0.00 O ATOM 478 OE2 GLU A 29 12.673 -5.133 -6.185 1.00 0.00 O ATOM 0 H GLU A 29 8.705 -6.406 -8.813 1.00 0.00 H new ATOM 0 HA GLU A 29 8.182 -3.673 -7.908 1.00 0.00 H new ATOM 0 HB2 GLU A 29 10.720 -4.757 -9.154 1.00 0.00 H new ATOM 0 HB3 GLU A 29 10.540 -3.382 -8.084 1.00 0.00 H new ATOM 0 HG2 GLU A 29 9.560 -5.461 -6.537 1.00 0.00 H new ATOM 0 HG3 GLU A 29 10.837 -6.244 -7.447 1.00 0.00 H new ATOM 485 N LEU A 30 8.898 -4.468 -11.042 1.00 0.00 N ATOM 486 CA LEU A 30 8.779 -4.012 -12.422 1.00 0.00 C ATOM 487 C LEU A 30 7.361 -3.532 -12.716 1.00 0.00 C ATOM 488 O LEU A 30 7.159 -2.413 -13.187 1.00 0.00 O ATOM 489 CB LEU A 30 9.159 -5.136 -13.387 1.00 0.00 C ATOM 490 CG LEU A 30 10.620 -5.586 -13.350 1.00 0.00 C ATOM 491 CD1 LEU A 30 10.800 -6.880 -14.129 1.00 0.00 C ATOM 492 CD2 LEU A 30 11.528 -4.498 -13.903 1.00 0.00 C ATOM 0 H LEU A 30 9.306 -5.397 -10.939 1.00 0.00 H new ATOM 0 HA LEU A 30 9.463 -3.175 -12.562 1.00 0.00 H new ATOM 0 HB2 LEU A 30 8.528 -5.999 -13.174 1.00 0.00 H new ATOM 0 HB3 LEU A 30 8.925 -4.812 -14.401 1.00 0.00 H new ATOM 0 HG LEU A 30 10.897 -5.769 -12.312 1.00 0.00 H new ATOM 0 HD11 LEU A 30 11.846 -7.185 -14.092 1.00 0.00 H new ATOM 0 HD12 LEU A 30 10.179 -7.660 -13.688 1.00 0.00 H new ATOM 0 HD13 LEU A 30 10.504 -6.724 -15.167 1.00 0.00 H new ATOM 0 HD21 LEU A 30 12.564 -4.836 -13.869 1.00 0.00 H new ATOM 0 HD22 LEU A 30 11.251 -4.282 -14.935 1.00 0.00 H new ATOM 0 HD23 LEU A 30 11.421 -3.595 -13.302 1.00 0.00 H new ATOM 504 N SER A 31 6.382 -4.386 -12.434 1.00 0.00 N ATOM 505 CA SER A 31 4.983 -4.050 -12.669 1.00 0.00 C ATOM 506 C SER A 31 4.614 -2.742 -11.975 1.00 0.00 C ATOM 507 O SER A 31 5.228 -2.339 -10.987 1.00 0.00 O ATOM 508 CB SER A 31 4.076 -5.177 -12.173 1.00 0.00 C ATOM 509 OG SER A 31 4.203 -5.356 -10.773 1.00 0.00 O ATOM 0 H SER A 31 6.532 -5.316 -12.042 1.00 0.00 H new ATOM 0 HA SER A 31 4.841 -3.924 -13.742 1.00 0.00 H new ATOM 0 HB2 SER A 31 3.039 -4.949 -12.421 1.00 0.00 H new ATOM 0 HB3 SER A 31 4.330 -6.105 -12.686 1.00 0.00 H new ATOM 0 HG SER A 31 5.114 -5.649 -10.562 1.00 0.00 H new ATOM 515 N PRO A 32 3.586 -2.062 -12.505 1.00 0.00 N ATOM 516 CA PRO A 32 3.111 -0.790 -11.953 1.00 0.00 C ATOM 517 C PRO A 32 2.427 -0.963 -10.602 1.00 0.00 C ATOM 518 O PRO A 32 2.542 -0.109 -9.723 1.00 0.00 O ATOM 519 CB PRO A 32 2.108 -0.301 -13.001 1.00 0.00 C ATOM 520 CG PRO A 32 1.637 -1.540 -13.681 1.00 0.00 C ATOM 521 CD PRO A 32 2.809 -2.483 -13.683 1.00 0.00 C ATOM 0 HA PRO A 32 3.930 -0.095 -11.769 1.00 0.00 H new ATOM 0 HB2 PRO A 32 1.280 0.235 -12.537 1.00 0.00 H new ATOM 0 HB3 PRO A 32 2.576 0.385 -13.707 1.00 0.00 H new ATOM 0 HG2 PRO A 32 0.787 -1.975 -13.155 1.00 0.00 H new ATOM 0 HG3 PRO A 32 1.307 -1.326 -14.697 1.00 0.00 H new ATOM 0 HD2 PRO A 32 2.489 -3.522 -13.603 1.00 0.00 H new ATOM 0 HD3 PRO A 32 3.392 -2.398 -14.600 1.00 0.00 H new ATOM 529 N TYR A 33 1.717 -2.074 -10.442 1.00 0.00 N ATOM 530 CA TYR A 33 1.012 -2.359 -9.197 1.00 0.00 C ATOM 531 C TYR A 33 1.567 -3.615 -8.533 1.00 0.00 C ATOM 532 O TYR A 33 2.139 -4.481 -9.195 1.00 0.00 O ATOM 533 CB TYR A 33 -0.485 -2.527 -9.461 1.00 0.00 C ATOM 534 CG TYR A 33 -0.953 -1.864 -10.737 1.00 0.00 C ATOM 535 CD1 TYR A 33 -0.836 -0.491 -10.912 1.00 0.00 C ATOM 536 CD2 TYR A 33 -1.513 -2.611 -11.766 1.00 0.00 C ATOM 537 CE1 TYR A 33 -1.263 0.120 -12.076 1.00 0.00 C ATOM 538 CE2 TYR A 33 -1.941 -2.009 -12.933 1.00 0.00 C ATOM 539 CZ TYR A 33 -1.815 -0.644 -13.084 1.00 0.00 C ATOM 540 OH TYR A 33 -2.241 -0.041 -14.245 1.00 0.00 O ATOM 0 H TYR A 33 1.614 -2.792 -11.159 1.00 0.00 H new ATOM 0 HA TYR A 33 1.162 -1.516 -8.522 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -0.720 -3.590 -9.507 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -1.042 -2.113 -8.621 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -0.404 0.109 -10.125 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -1.615 -3.680 -11.651 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -1.165 1.189 -12.196 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -2.372 -2.605 -13.724 1.00 0.00 H new ATOM 0 HH TYR A 33 -2.603 -0.720 -14.852 1.00 0.00 H new ATOM 550 N ASP A 34 1.393 -3.707 -7.219 1.00 0.00 N ATOM 551 CA ASP A 34 1.874 -4.858 -6.463 1.00 0.00 C ATOM 552 C ASP A 34 0.982 -6.073 -6.695 1.00 0.00 C ATOM 553 O ASP A 34 0.032 -6.017 -7.476 1.00 0.00 O ATOM 554 CB ASP A 34 1.928 -4.527 -4.970 1.00 0.00 C ATOM 555 CG ASP A 34 2.280 -3.076 -4.711 1.00 0.00 C ATOM 556 OD1 ASP A 34 3.370 -2.644 -5.139 1.00 0.00 O ATOM 557 OD2 ASP A 34 1.464 -2.371 -4.079 1.00 0.00 O ATOM 0 H ASP A 34 0.923 -2.999 -6.655 1.00 0.00 H new ATOM 0 HA ASP A 34 2.879 -5.096 -6.812 1.00 0.00 H new ATOM 0 HB2 ASP A 34 0.962 -4.750 -4.516 1.00 0.00 H new ATOM 0 HB3 ASP A 34 2.664 -5.168 -4.485 1.00 0.00 H new ATOM 562 N PHE A 35 1.294 -7.169 -6.013 1.00 0.00 N ATOM 563 CA PHE A 35 0.522 -8.399 -6.147 1.00 0.00 C ATOM 564 C PHE A 35 0.833 -9.364 -5.006 1.00 0.00 C ATOM 565 O PHE A 35 1.990 -9.539 -4.624 1.00 0.00 O ATOM 566 CB PHE A 35 0.818 -9.068 -7.491 1.00 0.00 C ATOM 567 CG PHE A 35 2.079 -9.883 -7.490 1.00 0.00 C ATOM 568 CD1 PHE A 35 2.075 -11.190 -7.030 1.00 0.00 C ATOM 569 CD2 PHE A 35 3.270 -9.342 -7.948 1.00 0.00 C ATOM 570 CE1 PHE A 35 3.235 -11.943 -7.028 1.00 0.00 C ATOM 571 CE2 PHE A 35 4.432 -10.090 -7.949 1.00 0.00 C ATOM 572 CZ PHE A 35 4.415 -11.391 -7.487 1.00 0.00 C ATOM 0 H PHE A 35 2.076 -7.231 -5.361 1.00 0.00 H new ATOM 0 HA PHE A 35 -0.536 -8.141 -6.103 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -0.020 -9.711 -7.760 1.00 0.00 H new ATOM 0 HB3 PHE A 35 0.892 -8.300 -8.261 1.00 0.00 H new ATOM 0 HD1 PHE A 35 1.155 -11.626 -6.669 1.00 0.00 H new ATOM 0 HD2 PHE A 35 3.290 -8.324 -8.308 1.00 0.00 H new ATOM 0 HE1 PHE A 35 3.218 -12.961 -6.668 1.00 0.00 H new ATOM 0 HE2 PHE A 35 5.353 -9.657 -8.311 1.00 0.00 H new ATOM 0 HZ PHE A 35 5.323 -11.976 -7.485 1.00 0.00 H new ATOM 582 N THR A 36 -0.210 -9.987 -4.466 1.00 0.00 N ATOM 583 CA THR A 36 -0.050 -10.932 -3.368 1.00 0.00 C ATOM 584 C THR A 36 -0.062 -12.370 -3.874 1.00 0.00 C ATOM 585 O THR A 36 -0.942 -12.760 -4.641 1.00 0.00 O ATOM 586 CB THR A 36 -1.160 -10.762 -2.314 1.00 0.00 C ATOM 587 OG1 THR A 36 -0.944 -11.665 -1.224 1.00 0.00 O ATOM 588 CG2 THR A 36 -2.530 -11.015 -2.925 1.00 0.00 C ATOM 0 H THR A 36 -1.174 -9.854 -4.771 1.00 0.00 H new ATOM 0 HA THR A 36 0.915 -10.720 -2.907 1.00 0.00 H new ATOM 0 HB THR A 36 -1.127 -9.736 -1.947 1.00 0.00 H new ATOM 0 HG1 THR A 36 -0.732 -11.155 -0.414 1.00 0.00 H new ATOM 0 HG21 THR A 36 -3.298 -10.889 -2.162 1.00 0.00 H new ATOM 0 HG22 THR A 36 -2.704 -10.306 -3.735 1.00 0.00 H new ATOM 0 HG23 THR A 36 -2.571 -12.031 -3.317 1.00 0.00 H new ATOM 596 N ILE A 37 0.920 -13.153 -3.439 1.00 0.00 N ATOM 597 CA ILE A 37 1.020 -14.549 -3.848 1.00 0.00 C ATOM 598 C ILE A 37 -0.131 -15.372 -3.280 1.00 0.00 C ATOM 599 O ILE A 37 -0.517 -15.204 -2.123 1.00 0.00 O ATOM 600 CB ILE A 37 2.354 -15.173 -3.397 1.00 0.00 C ATOM 601 CG1 ILE A 37 3.506 -14.640 -4.251 1.00 0.00 C ATOM 602 CG2 ILE A 37 2.284 -16.690 -3.479 1.00 0.00 C ATOM 603 CD1 ILE A 37 3.594 -15.285 -5.617 1.00 0.00 C ATOM 0 H ILE A 37 1.657 -12.845 -2.804 1.00 0.00 H new ATOM 0 HA ILE A 37 0.971 -14.563 -4.937 1.00 0.00 H new ATOM 0 HB ILE A 37 2.536 -14.893 -2.359 1.00 0.00 H new ATOM 0 HG12 ILE A 37 3.389 -13.563 -4.373 1.00 0.00 H new ATOM 0 HG13 ILE A 37 4.445 -14.800 -3.721 1.00 0.00 H new ATOM 0 HG21 ILE A 37 3.234 -17.116 -3.157 1.00 0.00 H new ATOM 0 HG22 ILE A 37 1.486 -17.053 -2.832 1.00 0.00 H new ATOM 0 HG23 ILE A 37 2.082 -16.990 -4.507 1.00 0.00 H new ATOM 0 HD11 ILE A 37 4.433 -14.859 -6.167 1.00 0.00 H new ATOM 0 HD12 ILE A 37 3.742 -16.359 -5.503 1.00 0.00 H new ATOM 0 HD13 ILE A 37 2.670 -15.102 -6.166 1.00 0.00 H new ATOM 615 N VAL A 38 -0.674 -16.265 -4.101 1.00 0.00 N ATOM 616 CA VAL A 38 -1.780 -17.117 -3.680 1.00 0.00 C ATOM 617 C VAL A 38 -1.308 -18.546 -3.432 1.00 0.00 C ATOM 618 O VAL A 38 -1.670 -19.164 -2.432 1.00 0.00 O ATOM 619 CB VAL A 38 -2.906 -17.135 -4.731 1.00 0.00 C ATOM 620 CG1 VAL A 38 -4.049 -18.029 -4.273 1.00 0.00 C ATOM 621 CG2 VAL A 38 -3.400 -15.723 -5.005 1.00 0.00 C ATOM 0 H VAL A 38 -0.366 -16.417 -5.061 1.00 0.00 H new ATOM 0 HA VAL A 38 -2.167 -16.698 -2.751 1.00 0.00 H new ATOM 0 HB VAL A 38 -2.507 -17.543 -5.660 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -4.835 -18.030 -5.028 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -3.682 -19.045 -4.131 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -4.450 -17.653 -3.332 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -4.195 -15.754 -5.750 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -3.783 -15.286 -4.083 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -2.576 -15.115 -5.379 1.00 0.00 H new ATOM 631 N GLN A 39 -0.499 -19.064 -4.350 1.00 0.00 N ATOM 632 CA GLN A 39 0.022 -20.420 -4.231 1.00 0.00 C ATOM 633 C GLN A 39 1.347 -20.562 -4.972 1.00 0.00 C ATOM 634 O GLN A 39 1.504 -20.061 -6.085 1.00 0.00 O ATOM 635 CB GLN A 39 -0.991 -21.428 -4.776 1.00 0.00 C ATOM 636 CG GLN A 39 -1.930 -21.981 -3.716 1.00 0.00 C ATOM 637 CD GLN A 39 -2.781 -23.125 -4.230 1.00 0.00 C ATOM 638 OE1 GLN A 39 -2.300 -23.994 -4.958 1.00 0.00 O ATOM 639 NE2 GLN A 39 -4.055 -23.132 -3.853 1.00 0.00 N ATOM 0 H GLN A 39 -0.190 -18.565 -5.184 1.00 0.00 H new ATOM 0 HA GLN A 39 0.194 -20.624 -3.174 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -1.581 -20.951 -5.559 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -0.454 -22.255 -5.241 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -1.346 -22.323 -2.862 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -2.580 -21.182 -3.359 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -4.412 -22.392 -3.249 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -4.676 -23.877 -4.168 1.00 0.00 H new ATOM 648 N GLY A 40 2.300 -21.248 -4.347 1.00 0.00 N ATOM 649 CA GLY A 40 3.599 -21.442 -4.963 1.00 0.00 C ATOM 650 C GLY A 40 3.964 -22.908 -5.096 1.00 0.00 C ATOM 651 O GLY A 40 4.205 -23.396 -6.201 1.00 0.00 O ATOM 0 H GLY A 40 2.195 -21.672 -3.425 1.00 0.00 H new ATOM 0 HA2 GLY A 40 3.603 -20.979 -5.950 1.00 0.00 H new ATOM 0 HA3 GLY A 40 4.359 -20.934 -4.369 1.00 0.00 H new ATOM 655 N ILE A 41 4.006 -23.610 -3.970 1.00 0.00 N ATOM 656 CA ILE A 41 4.344 -25.028 -3.966 1.00 0.00 C ATOM 657 C ILE A 41 3.354 -25.828 -3.127 1.00 0.00 C ATOM 658 O ILE A 41 2.886 -25.361 -2.088 1.00 0.00 O ATOM 659 CB ILE A 41 5.767 -25.266 -3.427 1.00 0.00 C ATOM 660 CG1 ILE A 41 6.708 -25.665 -4.566 1.00 0.00 C ATOM 661 CG2 ILE A 41 5.752 -26.336 -2.346 1.00 0.00 C ATOM 662 CD1 ILE A 41 6.348 -26.985 -5.212 1.00 0.00 C ATOM 0 H ILE A 41 3.810 -23.220 -3.048 1.00 0.00 H new ATOM 0 HA ILE A 41 4.295 -25.366 -5.001 1.00 0.00 H new ATOM 0 HB ILE A 41 6.133 -24.338 -2.987 1.00 0.00 H new ATOM 0 HG12 ILE A 41 6.698 -24.883 -5.326 1.00 0.00 H new ATOM 0 HG13 ILE A 41 7.726 -25.723 -4.182 1.00 0.00 H new ATOM 0 HG21 ILE A 41 6.765 -26.493 -1.975 1.00 0.00 H new ATOM 0 HG22 ILE A 41 5.111 -26.015 -1.525 1.00 0.00 H new ATOM 0 HG23 ILE A 41 5.370 -27.268 -2.762 1.00 0.00 H new ATOM 0 HD11 ILE A 41 7.057 -27.205 -6.010 1.00 0.00 H new ATOM 0 HD12 ILE A 41 6.386 -27.778 -4.465 1.00 0.00 H new ATOM 0 HD13 ILE A 41 5.342 -26.925 -5.627 1.00 0.00 H new ATOM 674 N ARG A 42 3.040 -27.036 -3.582 1.00 0.00 N ATOM 675 CA ARG A 42 2.106 -27.902 -2.873 1.00 0.00 C ATOM 676 C ARG A 42 2.849 -28.851 -1.937 1.00 0.00 C ATOM 677 O ARG A 42 3.650 -29.675 -2.378 1.00 0.00 O ATOM 678 CB ARG A 42 1.264 -28.703 -3.867 1.00 0.00 C ATOM 679 CG ARG A 42 0.255 -27.860 -4.630 1.00 0.00 C ATOM 680 CD ARG A 42 -1.158 -28.082 -4.114 1.00 0.00 C ATOM 681 NE ARG A 42 -2.157 -27.911 -5.166 1.00 0.00 N ATOM 682 CZ ARG A 42 -3.433 -27.629 -4.928 1.00 0.00 C ATOM 683 NH1 ARG A 42 -3.863 -27.487 -3.682 1.00 0.00 N ATOM 684 NH2 ARG A 42 -4.282 -27.488 -5.939 1.00 0.00 N ATOM 0 H ARG A 42 3.419 -27.438 -4.439 1.00 0.00 H new ATOM 0 HA ARG A 42 1.447 -27.272 -2.276 1.00 0.00 H new ATOM 0 HB2 ARG A 42 1.927 -29.193 -4.579 1.00 0.00 H new ATOM 0 HB3 ARG A 42 0.735 -29.490 -3.330 1.00 0.00 H new ATOM 0 HG2 ARG A 42 0.516 -26.806 -4.538 1.00 0.00 H new ATOM 0 HG3 ARG A 42 0.300 -28.108 -5.690 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -1.238 -29.086 -3.697 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -1.362 -27.383 -3.303 1.00 0.00 H new ATOM 0 HE ARG A 42 -1.859 -28.014 -6.136 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -3.213 -27.594 -2.903 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -4.843 -27.270 -3.502 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -3.954 -27.596 -6.899 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -5.262 -27.271 -5.756 1.00 0.00 H new ATOM 1035 N HIS A 66 1.415 -27.456 -10.067 1.00 0.00 N ATOM 1036 CA HIS A 66 1.874 -26.962 -8.774 1.00 0.00 C ATOM 1037 C HIS A 66 2.682 -28.029 -8.041 1.00 0.00 C ATOM 1038 O HIS A 66 3.636 -27.717 -7.327 1.00 0.00 O ATOM 1039 CB HIS A 66 0.684 -26.529 -7.918 1.00 0.00 C ATOM 1040 CG HIS A 66 0.292 -25.097 -8.117 1.00 0.00 C ATOM 1041 ND1 HIS A 66 0.573 -24.105 -7.202 1.00 0.00 N ATOM 1042 CD2 HIS A 66 -0.363 -24.492 -9.136 1.00 0.00 C ATOM 1043 CE1 HIS A 66 0.107 -22.952 -7.648 1.00 0.00 C ATOM 1044 NE2 HIS A 66 -0.465 -23.160 -8.820 1.00 0.00 N ATOM 0 HA HIS A 66 2.518 -26.100 -8.950 1.00 0.00 H new ATOM 0 HB2 HIS A 66 -0.170 -27.166 -8.149 1.00 0.00 H new ATOM 0 HB3 HIS A 66 0.926 -26.688 -6.867 1.00 0.00 H new ATOM 0 HD1 HIS A 66 1.064 -24.240 -6.318 1.00 0.00 H new ATOM 0 HD2 HIS A 66 -0.736 -24.969 -10.031 1.00 0.00 H new ATOM 0 HE1 HIS A 66 0.181 -22.001 -7.141 1.00 0.00 H new ATOM 1052 N ILE A 67 2.293 -29.286 -8.222 1.00 0.00 N ATOM 1053 CA ILE A 67 2.982 -30.398 -7.578 1.00 0.00 C ATOM 1054 C ILE A 67 4.451 -30.444 -7.984 1.00 0.00 C ATOM 1055 O ILE A 67 5.324 -30.740 -7.167 1.00 0.00 O ATOM 1056 CB ILE A 67 2.323 -31.746 -7.926 1.00 0.00 C ATOM 1057 CG1 ILE A 67 0.800 -31.633 -7.831 1.00 0.00 C ATOM 1058 CG2 ILE A 67 2.836 -32.840 -7.002 1.00 0.00 C ATOM 1059 CD1 ILE A 67 0.324 -30.898 -6.598 1.00 0.00 C ATOM 0 H ILE A 67 1.505 -29.560 -8.809 1.00 0.00 H new ATOM 0 HA ILE A 67 2.909 -30.234 -6.503 1.00 0.00 H new ATOM 0 HB ILE A 67 2.586 -32.009 -8.950 1.00 0.00 H new ATOM 0 HG12 ILE A 67 0.426 -31.120 -8.717 1.00 0.00 H new ATOM 0 HG13 ILE A 67 0.369 -32.634 -7.837 1.00 0.00 H new ATOM 0 HG21 ILE A 67 2.361 -33.787 -7.260 1.00 0.00 H new ATOM 0 HG22 ILE A 67 3.916 -32.934 -7.114 1.00 0.00 H new ATOM 0 HG23 ILE A 67 2.599 -32.585 -5.969 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -0.765 -30.856 -6.597 1.00 0.00 H new ATOM 0 HD12 ILE A 67 0.668 -31.422 -5.706 1.00 0.00 H new ATOM 0 HD13 ILE A 67 0.726 -29.885 -6.601 1.00 0.00 H new ATOM 1071 N THR A 68 4.719 -30.147 -9.252 1.00 0.00 N ATOM 1072 CA THR A 68 6.082 -30.153 -9.766 1.00 0.00 C ATOM 1073 C THR A 68 6.734 -28.783 -9.614 1.00 0.00 C ATOM 1074 O THR A 68 7.870 -28.575 -10.037 1.00 0.00 O ATOM 1075 CB THR A 68 6.121 -30.565 -11.250 1.00 0.00 C ATOM 1076 OG1 THR A 68 5.368 -29.634 -12.036 1.00 0.00 O ATOM 1077 CG2 THR A 68 5.559 -31.966 -11.438 1.00 0.00 C ATOM 0 H THR A 68 4.009 -29.899 -9.941 1.00 0.00 H new ATOM 0 HA THR A 68 6.638 -30.884 -9.178 1.00 0.00 H new ATOM 0 HB THR A 68 7.160 -30.561 -11.578 1.00 0.00 H new ATOM 0 HG1 THR A 68 5.399 -29.901 -12.978 1.00 0.00 H new ATOM 0 HG21 THR A 68 5.597 -32.235 -12.494 1.00 0.00 H new ATOM 0 HG22 THR A 68 6.152 -32.676 -10.861 1.00 0.00 H new ATOM 0 HG23 THR A 68 4.525 -31.992 -11.094 1.00 0.00 H new ATOM 1085 N GLY A 69 6.007 -27.851 -9.006 1.00 0.00 N ATOM 1086 CA GLY A 69 6.531 -26.513 -8.807 1.00 0.00 C ATOM 1087 C GLY A 69 6.836 -25.810 -10.116 1.00 0.00 C ATOM 1088 O GLY A 69 7.625 -24.866 -10.152 1.00 0.00 O ATOM 0 H GLY A 69 5.064 -27.999 -8.647 1.00 0.00 H new ATOM 0 HA2 GLY A 69 5.809 -25.924 -8.241 1.00 0.00 H new ATOM 0 HA3 GLY A 69 7.439 -26.567 -8.207 1.00 0.00 H new ATOM 1092 N ASP A 70 6.210 -26.271 -11.193 1.00 0.00 N ATOM 1093 CA ASP A 70 6.419 -25.681 -12.510 1.00 0.00 C ATOM 1094 C ASP A 70 5.350 -24.635 -12.812 1.00 0.00 C ATOM 1095 O ASP A 70 5.096 -24.310 -13.971 1.00 0.00 O ATOM 1096 CB ASP A 70 6.406 -26.767 -13.587 1.00 0.00 C ATOM 1097 CG ASP A 70 7.777 -27.370 -13.818 1.00 0.00 C ATOM 1098 OD1 ASP A 70 8.775 -26.625 -13.730 1.00 0.00 O ATOM 1099 OD2 ASP A 70 7.853 -28.588 -14.086 1.00 0.00 O ATOM 0 H ASP A 70 5.554 -27.052 -11.180 1.00 0.00 H new ATOM 0 HA ASP A 70 7.393 -25.191 -12.511 1.00 0.00 H new ATOM 0 HB2 ASP A 70 5.710 -27.554 -13.296 1.00 0.00 H new ATOM 0 HB3 ASP A 70 6.036 -26.344 -14.521 1.00 0.00 H new ATOM 1104 N ALA A 71 4.728 -24.111 -11.760 1.00 0.00 N ATOM 1105 CA ALA A 71 3.688 -23.101 -11.913 1.00 0.00 C ATOM 1106 C ALA A 71 3.265 -22.541 -10.560 1.00 0.00 C ATOM 1107 O ALA A 71 3.414 -23.200 -9.530 1.00 0.00 O ATOM 1108 CB ALA A 71 2.488 -23.685 -12.644 1.00 0.00 C ATOM 0 H ALA A 71 4.926 -24.369 -10.793 1.00 0.00 H new ATOM 0 HA ALA A 71 4.096 -22.281 -12.505 1.00 0.00 H new ATOM 0 HB1 ALA A 71 1.719 -22.920 -12.751 1.00 0.00 H new ATOM 0 HB2 ALA A 71 2.796 -24.031 -13.631 1.00 0.00 H new ATOM 0 HB3 ALA A 71 2.088 -24.524 -12.074 1.00 0.00 H new ATOM 1114 N ILE A 72 2.736 -21.322 -10.569 1.00 0.00 N ATOM 1115 CA ILE A 72 2.291 -20.674 -9.341 1.00 0.00 C ATOM 1116 C ILE A 72 1.140 -19.711 -9.614 1.00 0.00 C ATOM 1117 O ILE A 72 0.917 -19.302 -10.754 1.00 0.00 O ATOM 1118 CB ILE A 72 3.439 -19.905 -8.662 1.00 0.00 C ATOM 1119 CG1 ILE A 72 3.920 -18.764 -9.561 1.00 0.00 C ATOM 1120 CG2 ILE A 72 4.587 -20.848 -8.334 1.00 0.00 C ATOM 1121 CD1 ILE A 72 3.216 -17.450 -9.298 1.00 0.00 C ATOM 0 H ILE A 72 2.605 -20.763 -11.412 1.00 0.00 H new ATOM 0 HA ILE A 72 1.950 -21.465 -8.673 1.00 0.00 H new ATOM 0 HB ILE A 72 3.069 -19.477 -7.731 1.00 0.00 H new ATOM 0 HG12 ILE A 72 4.992 -18.627 -9.419 1.00 0.00 H new ATOM 0 HG13 ILE A 72 3.770 -19.045 -10.603 1.00 0.00 H new ATOM 0 HG21 ILE A 72 5.391 -20.290 -7.854 1.00 0.00 H new ATOM 0 HG22 ILE A 72 4.235 -21.629 -7.660 1.00 0.00 H new ATOM 0 HG23 ILE A 72 4.959 -21.302 -9.253 1.00 0.00 H new ATOM 0 HD11 ILE A 72 3.607 -16.687 -9.971 1.00 0.00 H new ATOM 0 HD12 ILE A 72 2.146 -17.570 -9.468 1.00 0.00 H new ATOM 0 HD13 ILE A 72 3.387 -17.146 -8.265 1.00 0.00 H new ATOM 1133 N ASP A 73 0.415 -19.351 -8.561 1.00 0.00 N ATOM 1134 CA ASP A 73 -0.711 -18.433 -8.686 1.00 0.00 C ATOM 1135 C ASP A 73 -0.503 -17.196 -7.818 1.00 0.00 C ATOM 1136 O ASP A 73 0.205 -17.243 -6.812 1.00 0.00 O ATOM 1137 CB ASP A 73 -2.013 -19.133 -8.295 1.00 0.00 C ATOM 1138 CG ASP A 73 -3.229 -18.500 -8.943 1.00 0.00 C ATOM 1139 OD1 ASP A 73 -3.705 -17.467 -8.428 1.00 0.00 O ATOM 1140 OD2 ASP A 73 -3.703 -19.037 -9.966 1.00 0.00 O ATOM 0 H ASP A 73 0.587 -19.681 -7.611 1.00 0.00 H new ATOM 0 HA ASP A 73 -0.776 -18.117 -9.727 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -1.958 -20.183 -8.582 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -2.126 -19.104 -7.211 1.00 0.00 H new ATOM 1145 N PHE A 74 -1.124 -16.090 -8.214 1.00 0.00 N ATOM 1146 CA PHE A 74 -1.005 -14.839 -7.473 1.00 0.00 C ATOM 1147 C PHE A 74 -2.223 -13.951 -7.707 1.00 0.00 C ATOM 1148 O PHE A 74 -3.105 -14.284 -8.497 1.00 0.00 O ATOM 1149 CB PHE A 74 0.269 -14.097 -7.884 1.00 0.00 C ATOM 1150 CG PHE A 74 0.134 -13.347 -9.179 1.00 0.00 C ATOM 1151 CD1 PHE A 74 -0.314 -12.036 -9.191 1.00 0.00 C ATOM 1152 CD2 PHE A 74 0.454 -13.953 -10.383 1.00 0.00 C ATOM 1153 CE1 PHE A 74 -0.439 -11.342 -10.380 1.00 0.00 C ATOM 1154 CE2 PHE A 74 0.331 -13.264 -11.575 1.00 0.00 C ATOM 1155 CZ PHE A 74 -0.117 -11.958 -11.574 1.00 0.00 C ATOM 0 H PHE A 74 -1.715 -16.034 -9.044 1.00 0.00 H new ATOM 0 HA PHE A 74 -0.951 -15.078 -6.411 1.00 0.00 H new ATOM 0 HB2 PHE A 74 0.543 -13.397 -7.095 1.00 0.00 H new ATOM 0 HB3 PHE A 74 1.085 -14.814 -7.972 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -0.569 -11.551 -8.260 1.00 0.00 H new ATOM 0 HD2 PHE A 74 0.803 -14.975 -10.390 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -0.788 -10.320 -10.376 1.00 0.00 H new ATOM 0 HE2 PHE A 74 0.585 -13.747 -12.507 1.00 0.00 H new ATOM 0 HZ PHE A 74 -0.216 -11.419 -12.505 1.00 0.00 H new ATOM 1165 N ALA A 75 -2.264 -12.818 -7.013 1.00 0.00 N ATOM 1166 CA ALA A 75 -3.372 -11.880 -7.145 1.00 0.00 C ATOM 1167 C ALA A 75 -2.865 -10.458 -7.358 1.00 0.00 C ATOM 1168 O ALA A 75 -1.982 -9.975 -6.650 1.00 0.00 O ATOM 1169 CB ALA A 75 -4.267 -11.945 -5.917 1.00 0.00 C ATOM 0 H ALA A 75 -1.542 -12.528 -6.353 1.00 0.00 H new ATOM 0 HA ALA A 75 -3.955 -12.165 -8.021 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -5.090 -11.239 -6.029 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -4.666 -12.954 -5.810 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -3.687 -11.688 -5.030 1.00 0.00 H new ATOM 1175 N PRO A 76 -3.435 -9.770 -8.358 1.00 0.00 N ATOM 1176 CA PRO A 76 -3.056 -8.393 -8.688 1.00 0.00 C ATOM 1177 C PRO A 76 -3.498 -7.398 -7.620 1.00 0.00 C ATOM 1178 O PRO A 76 -4.693 -7.206 -7.395 1.00 0.00 O ATOM 1179 CB PRO A 76 -3.792 -8.127 -10.004 1.00 0.00 C ATOM 1180 CG PRO A 76 -4.957 -9.056 -9.980 1.00 0.00 C ATOM 1181 CD PRO A 76 -4.494 -10.283 -9.244 1.00 0.00 C ATOM 0 HA PRO A 76 -1.975 -8.274 -8.757 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -4.115 -7.088 -10.074 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -3.149 -8.320 -10.863 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -5.810 -8.599 -9.479 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -5.278 -9.306 -10.991 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -5.305 -10.742 -8.678 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -4.113 -11.042 -9.928 1.00 0.00 H new ATOM 1189 N TYR A 77 -2.529 -6.768 -6.967 1.00 0.00 N ATOM 1190 CA TYR A 77 -2.819 -5.795 -5.921 1.00 0.00 C ATOM 1191 C TYR A 77 -2.897 -4.384 -6.497 1.00 0.00 C ATOM 1192 O TYR A 77 -2.008 -3.950 -7.229 1.00 0.00 O ATOM 1193 CB TYR A 77 -1.749 -5.853 -4.830 1.00 0.00 C ATOM 1194 CG TYR A 77 -2.315 -5.949 -3.431 1.00 0.00 C ATOM 1195 CD1 TYR A 77 -2.720 -7.170 -2.906 1.00 0.00 C ATOM 1196 CD2 TYR A 77 -2.444 -4.818 -2.634 1.00 0.00 C ATOM 1197 CE1 TYR A 77 -3.239 -7.262 -1.629 1.00 0.00 C ATOM 1198 CE2 TYR A 77 -2.960 -4.901 -1.355 1.00 0.00 C ATOM 1199 CZ TYR A 77 -3.357 -6.124 -0.857 1.00 0.00 C ATOM 1200 OH TYR A 77 -3.872 -6.212 0.416 1.00 0.00 O ATOM 0 H TYR A 77 -1.535 -6.914 -7.143 1.00 0.00 H new ATOM 0 HA TYR A 77 -3.786 -6.045 -5.485 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -1.103 -6.712 -5.011 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -1.123 -4.964 -4.899 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -2.627 -8.063 -3.507 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -2.136 -3.858 -3.021 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -3.551 -8.219 -1.237 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -3.052 -4.012 -0.748 1.00 0.00 H new ATOM 0 HH TYR A 77 -3.886 -5.322 0.825 1.00 0.00 H new ATOM 1210 N ILE A 78 -3.968 -3.673 -6.160 1.00 0.00 N ATOM 1211 CA ILE A 78 -4.163 -2.311 -6.641 1.00 0.00 C ATOM 1212 C ILE A 78 -4.891 -1.461 -5.605 1.00 0.00 C ATOM 1213 O ILE A 78 -5.799 -1.937 -4.924 1.00 0.00 O ATOM 1214 CB ILE A 78 -4.960 -2.289 -7.958 1.00 0.00 C ATOM 1215 CG1 ILE A 78 -4.143 -2.923 -9.085 1.00 0.00 C ATOM 1216 CG2 ILE A 78 -5.350 -0.862 -8.317 1.00 0.00 C ATOM 1217 CD1 ILE A 78 -4.387 -4.407 -9.248 1.00 0.00 C ATOM 0 H ILE A 78 -4.714 -4.018 -5.556 1.00 0.00 H new ATOM 0 HA ILE A 78 -3.172 -1.893 -6.818 1.00 0.00 H new ATOM 0 HB ILE A 78 -5.871 -2.872 -7.824 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -4.380 -2.419 -10.022 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -3.083 -2.756 -8.892 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -5.913 -0.863 -9.250 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -5.966 -0.442 -7.522 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -4.451 -0.258 -8.436 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -3.775 -4.789 -10.065 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -4.123 -4.923 -8.325 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -5.440 -4.580 -9.472 1.00 0.00 H new ATOM 1229 N ASN A 79 -4.487 -0.200 -5.493 1.00 0.00 N ATOM 1230 CA ASN A 79 -5.101 0.718 -4.540 1.00 0.00 C ATOM 1231 C ASN A 79 -4.965 0.193 -3.114 1.00 0.00 C ATOM 1232 O ASN A 79 -5.841 0.407 -2.277 1.00 0.00 O ATOM 1233 CB ASN A 79 -6.578 0.925 -4.881 1.00 0.00 C ATOM 1234 CG ASN A 79 -6.780 1.951 -5.980 1.00 0.00 C ATOM 1235 OD1 ASN A 79 -6.567 1.664 -7.158 1.00 0.00 O ATOM 1236 ND2 ASN A 79 -7.193 3.153 -5.598 1.00 0.00 N ATOM 0 H ASN A 79 -3.737 0.210 -6.050 1.00 0.00 H new ATOM 0 HA ASN A 79 -4.582 1.674 -4.607 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -7.013 -0.025 -5.191 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -7.113 1.244 -3.987 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -7.347 3.884 -6.293 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -7.357 3.346 -4.610 1.00 0.00 H new ATOM 1243 N GLY A 80 -3.859 -0.494 -2.845 1.00 0.00 N ATOM 1244 CA GLY A 80 -3.628 -1.038 -1.520 1.00 0.00 C ATOM 1245 C GLY A 80 -4.627 -2.118 -1.153 1.00 0.00 C ATOM 1246 O GLY A 80 -4.812 -2.431 0.023 1.00 0.00 O ATOM 0 H GLY A 80 -3.119 -0.683 -3.521 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -2.619 -1.448 -1.470 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -3.681 -0.234 -0.786 1.00 0.00 H new ATOM 1250 N LYS A 81 -5.276 -2.688 -2.163 1.00 0.00 N ATOM 1251 CA LYS A 81 -6.263 -3.739 -1.943 1.00 0.00 C ATOM 1252 C LYS A 81 -6.277 -4.725 -3.106 1.00 0.00 C ATOM 1253 O LYS A 81 -5.825 -4.407 -4.207 1.00 0.00 O ATOM 1254 CB LYS A 81 -7.655 -3.129 -1.760 1.00 0.00 C ATOM 1255 CG LYS A 81 -7.947 -2.697 -0.334 1.00 0.00 C ATOM 1256 CD LYS A 81 -8.308 -1.222 -0.261 1.00 0.00 C ATOM 1257 CE LYS A 81 -7.696 -0.559 0.964 1.00 0.00 C ATOM 1258 NZ LYS A 81 -8.191 0.833 1.146 1.00 0.00 N ATOM 0 H LYS A 81 -5.136 -2.440 -3.142 1.00 0.00 H new ATOM 0 HA LYS A 81 -5.987 -4.278 -1.037 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -7.754 -2.267 -2.419 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -8.405 -3.856 -2.071 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -8.766 -3.293 0.067 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -7.076 -2.891 0.292 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -7.960 -0.716 -1.162 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -9.392 -1.112 -0.232 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -7.931 -1.147 1.851 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -6.610 -0.549 0.867 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -7.751 1.250 1.991 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -7.944 1.401 0.311 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -9.224 0.821 1.264 1.00 0.00 H new ATOM 1272 N ILE A 82 -6.799 -5.921 -2.856 1.00 0.00 N ATOM 1273 CA ILE A 82 -6.873 -6.951 -3.884 1.00 0.00 C ATOM 1274 C ILE A 82 -7.857 -6.562 -4.982 1.00 0.00 C ATOM 1275 O ILE A 82 -8.990 -6.168 -4.704 1.00 0.00 O ATOM 1276 CB ILE A 82 -7.295 -8.309 -3.291 1.00 0.00 C ATOM 1277 CG1 ILE A 82 -6.503 -8.600 -2.014 1.00 0.00 C ATOM 1278 CG2 ILE A 82 -7.091 -9.419 -4.311 1.00 0.00 C ATOM 1279 CD1 ILE A 82 -7.342 -8.547 -0.757 1.00 0.00 C ATOM 0 H ILE A 82 -7.177 -6.200 -1.951 1.00 0.00 H new ATOM 0 HA ILE A 82 -5.874 -7.044 -4.310 1.00 0.00 H new ATOM 0 HB ILE A 82 -8.354 -8.265 -3.038 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -6.048 -9.587 -2.096 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -5.689 -7.880 -1.929 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -7.394 -10.372 -3.877 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -7.694 -9.215 -5.196 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -6.039 -9.466 -4.592 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -6.715 -8.763 0.108 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -7.776 -7.553 -0.651 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -8.140 -9.287 -0.821 1.00 0.00 H new ATOM 1291 N ASP A 83 -7.417 -6.677 -6.231 1.00 0.00 N ATOM 1292 CA ASP A 83 -8.260 -6.340 -7.372 1.00 0.00 C ATOM 1293 C ASP A 83 -8.676 -7.596 -8.130 1.00 0.00 C ATOM 1294 O ASP A 83 -7.962 -8.062 -9.018 1.00 0.00 O ATOM 1295 CB ASP A 83 -7.524 -5.382 -8.311 1.00 0.00 C ATOM 1296 CG ASP A 83 -8.050 -3.963 -8.219 1.00 0.00 C ATOM 1297 OD1 ASP A 83 -8.712 -3.640 -7.211 1.00 0.00 O ATOM 1298 OD2 ASP A 83 -7.798 -3.176 -9.155 1.00 0.00 O ATOM 0 H ASP A 83 -6.482 -7.001 -6.478 1.00 0.00 H new ATOM 0 HA ASP A 83 -9.159 -5.850 -6.997 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -6.461 -5.388 -8.071 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -7.622 -5.737 -9.337 1.00 0.00 H new ATOM 1303 N TRP A 84 -9.833 -8.140 -7.773 1.00 0.00 N ATOM 1304 CA TRP A 84 -10.344 -9.344 -8.420 1.00 0.00 C ATOM 1305 C TRP A 84 -11.417 -8.998 -9.446 1.00 0.00 C ATOM 1306 O TRP A 84 -11.768 -9.820 -10.291 1.00 0.00 O ATOM 1307 CB TRP A 84 -10.911 -10.307 -7.375 1.00 0.00 C ATOM 1308 CG TRP A 84 -9.878 -11.215 -6.781 1.00 0.00 C ATOM 1309 CD1 TRP A 84 -9.441 -11.224 -5.487 1.00 0.00 C ATOM 1310 CD2 TRP A 84 -9.151 -12.246 -7.459 1.00 0.00 C ATOM 1311 NE1 TRP A 84 -8.486 -12.198 -5.320 1.00 0.00 N ATOM 1312 CE2 TRP A 84 -8.291 -12.839 -6.515 1.00 0.00 C ATOM 1313 CE3 TRP A 84 -9.144 -12.726 -8.772 1.00 0.00 C ATOM 1314 CZ2 TRP A 84 -7.434 -13.887 -6.844 1.00 0.00 C ATOM 1315 CZ3 TRP A 84 -8.293 -13.765 -9.096 1.00 0.00 C ATOM 1316 CH2 TRP A 84 -7.448 -14.337 -8.136 1.00 0.00 C ATOM 0 H TRP A 84 -10.436 -7.767 -7.039 1.00 0.00 H new ATOM 0 HA TRP A 84 -9.516 -9.827 -8.938 1.00 0.00 H new ATOM 0 HB2 TRP A 84 -11.380 -9.731 -6.577 1.00 0.00 H new ATOM 0 HB3 TRP A 84 -11.694 -10.911 -7.835 1.00 0.00 H new ATOM 0 HD1 TRP A 84 -9.794 -10.563 -4.709 1.00 0.00 H new ATOM 0 HE1 TRP A 84 -8.001 -12.409 -4.448 1.00 0.00 H new ATOM 0 HE3 TRP A 84 -9.792 -12.293 -9.519 1.00 0.00 H new ATOM 0 HZ2 TRP A 84 -6.782 -14.329 -6.105 1.00 0.00 H new ATOM 0 HZ3 TRP A 84 -8.279 -14.143 -10.108 1.00 0.00 H new ATOM 0 HH2 TRP A 84 -6.795 -15.149 -8.421 1.00 0.00 H new ATOM 1327 N ASN A 85 -11.933 -7.776 -9.367 1.00 0.00 N ATOM 1328 CA ASN A 85 -12.967 -7.321 -10.290 1.00 0.00 C ATOM 1329 C ASN A 85 -12.441 -6.209 -11.191 1.00 0.00 C ATOM 1330 O ASN A 85 -13.212 -5.521 -11.860 1.00 0.00 O ATOM 1331 CB ASN A 85 -14.191 -6.830 -9.515 1.00 0.00 C ATOM 1332 CG ASN A 85 -15.485 -7.058 -10.272 1.00 0.00 C ATOM 1333 OD1 ASN A 85 -15.911 -8.197 -10.466 1.00 0.00 O ATOM 1334 ND2 ASN A 85 -16.116 -5.973 -10.705 1.00 0.00 N ATOM 0 H ASN A 85 -11.652 -7.083 -8.673 1.00 0.00 H new ATOM 0 HA ASN A 85 -13.257 -8.165 -10.917 1.00 0.00 H new ATOM 0 HB2 ASN A 85 -14.240 -7.344 -8.555 1.00 0.00 H new ATOM 0 HB3 ASN A 85 -14.080 -5.767 -9.302 1.00 0.00 H new ATOM 0 HD21 ASN A 85 -16.991 -6.064 -11.222 1.00 0.00 H new ATOM 0 HD22 ASN A 85 -15.726 -5.049 -10.521 1.00 0.00 H new ATOM 1341 N ASP A 86 -11.123 -6.038 -11.204 1.00 0.00 N ATOM 1342 CA ASP A 86 -10.493 -5.010 -12.024 1.00 0.00 C ATOM 1343 C ASP A 86 -9.583 -5.637 -13.076 1.00 0.00 C ATOM 1344 O ASP A 86 -8.364 -5.685 -12.908 1.00 0.00 O ATOM 1345 CB ASP A 86 -9.691 -4.048 -11.146 1.00 0.00 C ATOM 1346 CG ASP A 86 -10.510 -2.852 -10.701 1.00 0.00 C ATOM 1347 OD1 ASP A 86 -11.363 -2.390 -11.488 1.00 0.00 O ATOM 1348 OD2 ASP A 86 -10.299 -2.379 -9.565 1.00 0.00 O ATOM 0 H ASP A 86 -10.471 -6.598 -10.656 1.00 0.00 H new ATOM 0 HA ASP A 86 -11.279 -4.454 -12.534 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -9.325 -4.581 -10.268 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -8.816 -3.701 -11.696 1.00 0.00 H new ATOM 1353 N LEU A 87 -10.183 -6.116 -14.160 1.00 0.00 N ATOM 1354 CA LEU A 87 -9.427 -6.741 -15.240 1.00 0.00 C ATOM 1355 C LEU A 87 -8.538 -5.720 -15.943 1.00 0.00 C ATOM 1356 O LEU A 87 -7.554 -6.081 -16.588 1.00 0.00 O ATOM 1357 CB LEU A 87 -10.379 -7.385 -16.248 1.00 0.00 C ATOM 1358 CG LEU A 87 -11.220 -6.423 -17.088 1.00 0.00 C ATOM 1359 CD1 LEU A 87 -11.412 -6.969 -18.494 1.00 0.00 C ATOM 1360 CD2 LEU A 87 -12.566 -6.173 -16.423 1.00 0.00 C ATOM 0 H LEU A 87 -11.191 -6.084 -14.315 1.00 0.00 H new ATOM 0 HA LEU A 87 -8.790 -7.512 -14.807 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -9.793 -8.008 -16.924 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -11.054 -8.048 -15.707 1.00 0.00 H new ATOM 0 HG LEU A 87 -10.689 -5.474 -17.159 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -12.013 -6.271 -19.077 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -10.440 -7.097 -18.971 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -11.921 -7.932 -18.444 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -13.152 -5.486 -17.034 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -13.103 -7.116 -16.322 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -12.409 -5.737 -15.436 1.00 0.00 H new ATOM 1372 N GLU A 88 -8.891 -4.445 -15.812 1.00 0.00 N ATOM 1373 CA GLU A 88 -8.123 -3.373 -16.434 1.00 0.00 C ATOM 1374 C GLU A 88 -6.650 -3.463 -16.047 1.00 0.00 C ATOM 1375 O GLU A 88 -5.786 -3.683 -16.895 1.00 0.00 O ATOM 1376 CB GLU A 88 -8.687 -2.010 -16.027 1.00 0.00 C ATOM 1377 CG GLU A 88 -8.395 -0.906 -17.030 1.00 0.00 C ATOM 1378 CD GLU A 88 -8.474 0.477 -16.415 1.00 0.00 C ATOM 1379 OE1 GLU A 88 -9.598 0.924 -16.102 1.00 0.00 O ATOM 1380 OE2 GLU A 88 -7.413 1.113 -16.248 1.00 0.00 O ATOM 0 H GLU A 88 -9.703 -4.130 -15.281 1.00 0.00 H new ATOM 0 HA GLU A 88 -8.203 -3.483 -17.515 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -9.766 -2.096 -15.898 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -8.272 -1.729 -15.059 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -7.401 -1.056 -17.451 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -9.104 -0.973 -17.855 1.00 0.00 H new ATOM 1387 N ALA A 89 -6.371 -3.290 -14.759 1.00 0.00 N ATOM 1388 CA ALA A 89 -5.004 -3.353 -14.258 1.00 0.00 C ATOM 1389 C ALA A 89 -4.404 -4.738 -14.472 1.00 0.00 C ATOM 1390 O ALA A 89 -3.184 -4.900 -14.497 1.00 0.00 O ATOM 1391 CB ALA A 89 -4.965 -2.980 -12.783 1.00 0.00 C ATOM 0 H ALA A 89 -7.074 -3.105 -14.044 1.00 0.00 H new ATOM 0 HA ALA A 89 -4.404 -2.636 -14.819 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -3.938 -3.031 -12.422 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -5.345 -1.967 -12.654 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -5.584 -3.675 -12.216 1.00 0.00 H new ATOM 1397 N PHE A 90 -5.269 -5.735 -14.625 1.00 0.00 N ATOM 1398 CA PHE A 90 -4.825 -7.108 -14.835 1.00 0.00 C ATOM 1399 C PHE A 90 -3.855 -7.192 -16.010 1.00 0.00 C ATOM 1400 O PHE A 90 -2.756 -7.733 -15.884 1.00 0.00 O ATOM 1401 CB PHE A 90 -6.025 -8.023 -15.084 1.00 0.00 C ATOM 1402 CG PHE A 90 -5.752 -9.468 -14.775 1.00 0.00 C ATOM 1403 CD1 PHE A 90 -4.824 -10.184 -15.513 1.00 0.00 C ATOM 1404 CD2 PHE A 90 -6.424 -10.109 -13.748 1.00 0.00 C ATOM 1405 CE1 PHE A 90 -4.570 -11.513 -15.232 1.00 0.00 C ATOM 1406 CE2 PHE A 90 -6.174 -11.438 -13.461 1.00 0.00 C ATOM 1407 CZ PHE A 90 -5.247 -12.141 -14.205 1.00 0.00 C ATOM 0 H PHE A 90 -6.282 -5.618 -14.607 1.00 0.00 H new ATOM 0 HA PHE A 90 -4.307 -7.437 -13.934 1.00 0.00 H new ATOM 0 HB2 PHE A 90 -6.864 -7.682 -14.477 1.00 0.00 H new ATOM 0 HB3 PHE A 90 -6.329 -7.934 -16.127 1.00 0.00 H new ATOM 0 HD1 PHE A 90 -4.293 -9.698 -16.318 1.00 0.00 H new ATOM 0 HD2 PHE A 90 -7.152 -9.565 -13.165 1.00 0.00 H new ATOM 0 HE1 PHE A 90 -3.843 -12.060 -15.815 1.00 0.00 H new ATOM 0 HE2 PHE A 90 -6.703 -11.926 -12.656 1.00 0.00 H new ATOM 0 HZ PHE A 90 -5.052 -13.180 -13.984 1.00 0.00 H new ATOM 1417 N TRP A 91 -4.269 -6.653 -17.151 1.00 0.00 N ATOM 1418 CA TRP A 91 -3.438 -6.667 -18.349 1.00 0.00 C ATOM 1419 C TRP A 91 -2.133 -5.914 -18.115 1.00 0.00 C ATOM 1420 O TRP A 91 -1.106 -6.233 -18.713 1.00 0.00 O ATOM 1421 CB TRP A 91 -4.194 -6.049 -19.527 1.00 0.00 C ATOM 1422 CG TRP A 91 -3.512 -6.256 -20.845 1.00 0.00 C ATOM 1423 CD1 TRP A 91 -2.968 -7.418 -21.313 1.00 0.00 C ATOM 1424 CD2 TRP A 91 -3.299 -5.272 -21.863 1.00 0.00 C ATOM 1425 NE1 TRP A 91 -2.430 -7.216 -22.561 1.00 0.00 N ATOM 1426 CE2 TRP A 91 -2.621 -5.908 -22.921 1.00 0.00 C ATOM 1427 CE3 TRP A 91 -3.618 -3.917 -21.985 1.00 0.00 C ATOM 1428 CZ2 TRP A 91 -2.256 -5.233 -24.083 1.00 0.00 C ATOM 1429 CZ3 TRP A 91 -3.254 -3.249 -23.139 1.00 0.00 C ATOM 1430 CH2 TRP A 91 -2.580 -3.907 -24.176 1.00 0.00 C ATOM 0 H TRP A 91 -5.175 -6.201 -17.272 1.00 0.00 H new ATOM 0 HA TRP A 91 -3.200 -7.704 -18.584 1.00 0.00 H new ATOM 0 HB2 TRP A 91 -5.195 -6.478 -19.573 1.00 0.00 H new ATOM 0 HB3 TRP A 91 -4.314 -4.980 -19.352 1.00 0.00 H new ATOM 0 HD1 TRP A 91 -2.962 -8.358 -20.780 1.00 0.00 H new ATOM 0 HE1 TRP A 91 -1.964 -7.925 -23.127 1.00 0.00 H new ATOM 0 HE3 TRP A 91 -4.139 -3.401 -21.192 1.00 0.00 H new ATOM 0 HZ2 TRP A 91 -1.735 -5.739 -24.883 1.00 0.00 H new ATOM 0 HZ3 TRP A 91 -3.493 -2.201 -23.243 1.00 0.00 H new ATOM 0 HH2 TRP A 91 -2.311 -3.357 -25.066 1.00 0.00 H new ATOM 1441 N ALA A 92 -2.181 -4.913 -17.242 1.00 0.00 N ATOM 1442 CA ALA A 92 -1.002 -4.116 -16.928 1.00 0.00 C ATOM 1443 C ALA A 92 0.042 -4.947 -16.190 1.00 0.00 C ATOM 1444 O ALA A 92 1.224 -4.924 -16.532 1.00 0.00 O ATOM 1445 CB ALA A 92 -1.392 -2.899 -16.102 1.00 0.00 C ATOM 0 H ALA A 92 -3.024 -4.635 -16.740 1.00 0.00 H new ATOM 0 HA ALA A 92 -0.562 -3.778 -17.866 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -0.502 -2.313 -15.875 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -2.095 -2.287 -16.666 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -1.859 -3.225 -15.172 1.00 0.00 H new ATOM 1451 N VAL A 93 -0.403 -5.681 -15.174 1.00 0.00 N ATOM 1452 CA VAL A 93 0.493 -6.520 -14.387 1.00 0.00 C ATOM 1453 C VAL A 93 0.826 -7.812 -15.125 1.00 0.00 C ATOM 1454 O VAL A 93 1.889 -8.399 -14.924 1.00 0.00 O ATOM 1455 CB VAL A 93 -0.122 -6.867 -13.019 1.00 0.00 C ATOM 1456 CG1 VAL A 93 -1.505 -7.477 -13.193 1.00 0.00 C ATOM 1457 CG2 VAL A 93 0.791 -7.809 -12.248 1.00 0.00 C ATOM 0 H VAL A 93 -1.378 -5.711 -14.877 1.00 0.00 H new ATOM 0 HA VAL A 93 1.408 -5.948 -14.232 1.00 0.00 H new ATOM 0 HB VAL A 93 -0.227 -5.947 -12.444 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -1.923 -7.715 -12.215 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -2.155 -6.765 -13.702 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -1.429 -8.388 -13.787 1.00 0.00 H new ATOM 0 HG21 VAL A 93 0.341 -8.044 -11.284 1.00 0.00 H new ATOM 0 HG22 VAL A 93 0.930 -8.728 -12.817 1.00 0.00 H new ATOM 0 HG23 VAL A 93 1.758 -7.331 -12.090 1.00 0.00 H new ATOM 1467 N LYS A 94 -0.091 -8.250 -15.982 1.00 0.00 N ATOM 1468 CA LYS A 94 0.105 -9.472 -16.753 1.00 0.00 C ATOM 1469 C LYS A 94 1.257 -9.314 -17.741 1.00 0.00 C ATOM 1470 O LYS A 94 1.962 -10.276 -18.047 1.00 0.00 O ATOM 1471 CB LYS A 94 -1.178 -9.836 -17.504 1.00 0.00 C ATOM 1472 CG LYS A 94 -1.067 -11.118 -18.311 1.00 0.00 C ATOM 1473 CD LYS A 94 -1.466 -12.332 -17.488 1.00 0.00 C ATOM 1474 CE LYS A 94 -2.398 -13.250 -18.263 1.00 0.00 C ATOM 1475 NZ LYS A 94 -3.810 -12.777 -18.214 1.00 0.00 N ATOM 0 H LYS A 94 -0.977 -7.777 -16.160 1.00 0.00 H new ATOM 0 HA LYS A 94 0.353 -10.274 -16.058 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -1.993 -9.937 -16.787 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -1.442 -9.017 -18.173 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -1.704 -11.050 -19.193 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -0.043 -11.238 -18.666 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -0.573 -12.883 -17.194 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -1.955 -12.006 -16.570 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -2.070 -13.308 -19.301 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -2.338 -14.258 -17.853 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -4.185 -12.701 -19.181 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -4.384 -13.454 -17.672 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -3.848 -11.845 -17.754 1.00 0.00 H new ATOM 1489 N LYS A 95 1.443 -8.095 -18.235 1.00 0.00 N ATOM 1490 CA LYS A 95 2.512 -7.809 -19.185 1.00 0.00 C ATOM 1491 C LYS A 95 3.873 -7.841 -18.498 1.00 0.00 C ATOM 1492 O LYS A 95 4.891 -8.127 -19.129 1.00 0.00 O ATOM 1493 CB LYS A 95 2.289 -6.443 -19.838 1.00 0.00 C ATOM 1494 CG LYS A 95 3.363 -6.069 -20.846 1.00 0.00 C ATOM 1495 CD LYS A 95 2.822 -5.135 -21.915 1.00 0.00 C ATOM 1496 CE LYS A 95 1.968 -5.882 -22.928 1.00 0.00 C ATOM 1497 NZ LYS A 95 1.904 -5.169 -24.234 1.00 0.00 N ATOM 0 H LYS A 95 0.867 -7.289 -17.993 1.00 0.00 H new ATOM 0 HA LYS A 95 2.496 -8.580 -19.956 1.00 0.00 H new ATOM 0 HB2 LYS A 95 1.319 -6.441 -20.335 1.00 0.00 H new ATOM 0 HB3 LYS A 95 2.250 -5.680 -19.061 1.00 0.00 H new ATOM 0 HG2 LYS A 95 4.196 -5.591 -20.331 1.00 0.00 H new ATOM 0 HG3 LYS A 95 3.754 -6.972 -21.314 1.00 0.00 H new ATOM 0 HD2 LYS A 95 2.229 -4.349 -21.447 1.00 0.00 H new ATOM 0 HD3 LYS A 95 3.651 -4.647 -22.427 1.00 0.00 H new ATOM 0 HE2 LYS A 95 2.376 -6.881 -23.080 1.00 0.00 H new ATOM 0 HE3 LYS A 95 0.960 -6.006 -22.532 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 1.313 -5.710 -24.896 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 1.491 -4.225 -24.094 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 2.863 -5.073 -24.625 1.00 0.00 H new ATOM 1511 N ALA A 96 3.885 -7.546 -17.203 1.00 0.00 N ATOM 1512 CA ALA A 96 5.121 -7.545 -16.430 1.00 0.00 C ATOM 1513 C ALA A 96 5.649 -8.962 -16.237 1.00 0.00 C ATOM 1514 O ALA A 96 6.859 -9.192 -16.251 1.00 0.00 O ATOM 1515 CB ALA A 96 4.901 -6.873 -15.083 1.00 0.00 C ATOM 0 H ALA A 96 3.052 -7.304 -16.666 1.00 0.00 H new ATOM 0 HA ALA A 96 5.868 -6.980 -16.987 1.00 0.00 H new ATOM 0 HB1 ALA A 96 5.832 -6.880 -14.517 1.00 0.00 H new ATOM 0 HB2 ALA A 96 4.578 -5.844 -15.238 1.00 0.00 H new ATOM 0 HB3 ALA A 96 4.135 -7.414 -14.527 1.00 0.00 H new ATOM 1521 N PHE A 97 4.735 -9.909 -16.055 1.00 0.00 N ATOM 1522 CA PHE A 97 5.110 -11.305 -15.857 1.00 0.00 C ATOM 1523 C PHE A 97 5.755 -11.879 -17.115 1.00 0.00 C ATOM 1524 O PHE A 97 6.772 -12.568 -17.044 1.00 0.00 O ATOM 1525 CB PHE A 97 3.882 -12.135 -15.476 1.00 0.00 C ATOM 1526 CG PHE A 97 3.768 -12.392 -14.000 1.00 0.00 C ATOM 1527 CD1 PHE A 97 3.230 -11.434 -13.156 1.00 0.00 C ATOM 1528 CD2 PHE A 97 4.198 -13.593 -13.458 1.00 0.00 C ATOM 1529 CE1 PHE A 97 3.124 -11.668 -11.798 1.00 0.00 C ATOM 1530 CE2 PHE A 97 4.094 -13.832 -12.100 1.00 0.00 C ATOM 1531 CZ PHE A 97 3.556 -12.869 -11.270 1.00 0.00 C ATOM 0 H PHE A 97 3.730 -9.736 -16.040 1.00 0.00 H new ATOM 0 HA PHE A 97 5.836 -11.349 -15.046 1.00 0.00 H new ATOM 0 HB2 PHE A 97 2.984 -11.619 -15.818 1.00 0.00 H new ATOM 0 HB3 PHE A 97 3.921 -13.089 -16.001 1.00 0.00 H new ATOM 0 HD1 PHE A 97 2.890 -10.494 -13.564 1.00 0.00 H new ATOM 0 HD2 PHE A 97 4.619 -14.350 -14.103 1.00 0.00 H new ATOM 0 HE1 PHE A 97 2.704 -10.913 -11.150 1.00 0.00 H new ATOM 0 HE2 PHE A 97 4.433 -14.771 -11.689 1.00 0.00 H new ATOM 0 HZ PHE A 97 3.473 -13.054 -10.209 1.00 0.00 H new ATOM 1541 N GLU A 98 5.155 -11.589 -18.266 1.00 0.00 N ATOM 1542 CA GLU A 98 5.670 -12.078 -19.539 1.00 0.00 C ATOM 1543 C GLU A 98 6.917 -11.302 -19.955 1.00 0.00 C ATOM 1544 O GLU A 98 7.817 -11.850 -20.592 1.00 0.00 O ATOM 1545 CB GLU A 98 4.599 -11.963 -20.626 1.00 0.00 C ATOM 1546 CG GLU A 98 3.979 -10.579 -20.725 1.00 0.00 C ATOM 1547 CD GLU A 98 3.283 -10.346 -22.052 1.00 0.00 C ATOM 1548 OE1 GLU A 98 3.985 -10.254 -23.081 1.00 0.00 O ATOM 1549 OE2 GLU A 98 2.038 -10.254 -22.062 1.00 0.00 O ATOM 0 H GLU A 98 4.313 -11.019 -18.342 1.00 0.00 H new ATOM 0 HA GLU A 98 5.940 -13.127 -19.414 1.00 0.00 H new ATOM 0 HB2 GLU A 98 5.040 -12.224 -21.588 1.00 0.00 H new ATOM 0 HB3 GLU A 98 3.812 -12.691 -20.428 1.00 0.00 H new ATOM 0 HG2 GLU A 98 3.262 -10.447 -19.915 1.00 0.00 H new ATOM 0 HG3 GLU A 98 4.756 -9.826 -20.589 1.00 0.00 H new ATOM 1556 N GLN A 99 6.962 -10.025 -19.590 1.00 0.00 N ATOM 1557 CA GLN A 99 8.097 -9.174 -19.926 1.00 0.00 C ATOM 1558 C GLN A 99 9.291 -9.480 -19.028 1.00 0.00 C ATOM 1559 O GLN A 99 10.442 -9.341 -19.440 1.00 0.00 O ATOM 1560 CB GLN A 99 7.712 -7.699 -19.798 1.00 0.00 C ATOM 1561 CG GLN A 99 6.941 -7.166 -20.994 1.00 0.00 C ATOM 1562 CD GLN A 99 6.613 -5.691 -20.866 1.00 0.00 C ATOM 1563 OE1 GLN A 99 6.817 -5.087 -19.813 1.00 0.00 O ATOM 1564 NE2 GLN A 99 6.103 -5.102 -21.942 1.00 0.00 N ATOM 0 H GLN A 99 6.226 -9.557 -19.062 1.00 0.00 H new ATOM 0 HA GLN A 99 8.380 -9.380 -20.958 1.00 0.00 H new ATOM 0 HB2 GLN A 99 7.110 -7.566 -18.899 1.00 0.00 H new ATOM 0 HB3 GLN A 99 8.617 -7.106 -19.666 1.00 0.00 H new ATOM 0 HG2 GLN A 99 7.526 -7.327 -21.900 1.00 0.00 H new ATOM 0 HG3 GLN A 99 6.016 -7.732 -21.107 1.00 0.00 H new ATOM 0 HE21 GLN A 99 5.950 -5.641 -22.794 1.00 0.00 H new ATOM 0 HE22 GLN A 99 5.864 -4.111 -21.916 1.00 0.00 H new ATOM 1573 N ALA A 100 9.009 -9.897 -17.798 1.00 0.00 N ATOM 1574 CA ALA A 100 10.060 -10.225 -16.842 1.00 0.00 C ATOM 1575 C ALA A 100 10.817 -11.478 -17.267 1.00 0.00 C ATOM 1576 O ALA A 100 12.044 -11.470 -17.367 1.00 0.00 O ATOM 1577 CB ALA A 100 9.470 -10.408 -15.452 1.00 0.00 C ATOM 0 H ALA A 100 8.061 -10.016 -17.440 1.00 0.00 H new ATOM 0 HA ALA A 100 10.767 -9.396 -16.818 1.00 0.00 H new ATOM 0 HB1 ALA A 100 10.266 -10.653 -14.748 1.00 0.00 H new ATOM 0 HB2 ALA A 100 8.981 -9.485 -15.140 1.00 0.00 H new ATOM 0 HB3 ALA A 100 8.740 -11.218 -15.470 1.00 0.00 H new ATOM 1583 N GLY A 101 10.079 -12.555 -17.516 1.00 0.00 N ATOM 1584 CA GLY A 101 10.699 -13.801 -17.926 1.00 0.00 C ATOM 1585 C GLY A 101 11.459 -13.668 -19.231 1.00 0.00 C ATOM 1586 O GLY A 101 12.326 -14.486 -19.540 1.00 0.00 O ATOM 0 H GLY A 101 9.062 -12.587 -17.441 1.00 0.00 H new ATOM 0 HA2 GLY A 101 11.380 -14.139 -17.145 1.00 0.00 H new ATOM 0 HA3 GLY A 101 9.931 -14.568 -18.033 1.00 0.00 H new ATOM 1590 N LYS A 102 11.135 -12.635 -20.000 1.00 0.00 N ATOM 1591 CA LYS A 102 11.792 -12.396 -21.280 1.00 0.00 C ATOM 1592 C LYS A 102 13.266 -12.058 -21.079 1.00 0.00 C ATOM 1593 O LYS A 102 14.144 -12.717 -21.635 1.00 0.00 O ATOM 1594 CB LYS A 102 11.095 -11.260 -22.031 1.00 0.00 C ATOM 1595 CG LYS A 102 10.124 -11.741 -23.095 1.00 0.00 C ATOM 1596 CD LYS A 102 9.378 -10.581 -23.735 1.00 0.00 C ATOM 1597 CE LYS A 102 8.121 -11.053 -24.449 1.00 0.00 C ATOM 1598 NZ LYS A 102 7.552 -9.994 -25.328 1.00 0.00 N ATOM 0 H LYS A 102 10.420 -11.948 -19.759 1.00 0.00 H new ATOM 0 HA LYS A 102 11.723 -13.309 -21.871 1.00 0.00 H new ATOM 0 HB2 LYS A 102 10.558 -10.638 -21.315 1.00 0.00 H new ATOM 0 HB3 LYS A 102 11.850 -10.628 -22.499 1.00 0.00 H new ATOM 0 HG2 LYS A 102 10.667 -12.293 -23.862 1.00 0.00 H new ATOM 0 HG3 LYS A 102 9.409 -12.433 -22.650 1.00 0.00 H new ATOM 0 HD2 LYS A 102 9.111 -9.852 -22.970 1.00 0.00 H new ATOM 0 HD3 LYS A 102 10.032 -10.074 -24.444 1.00 0.00 H new ATOM 0 HE2 LYS A 102 8.352 -11.935 -25.046 1.00 0.00 H new ATOM 0 HE3 LYS A 102 7.376 -11.353 -23.712 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 6.697 -10.355 -25.797 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 7.308 -9.161 -24.755 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 8.254 -9.726 -26.047 1.00 0.00 H new ATOM 1612 N GLU A 103 13.529 -11.028 -20.281 1.00 0.00 N ATOM 1613 CA GLU A 103 14.897 -10.604 -20.008 1.00 0.00 C ATOM 1614 C GLU A 103 15.544 -11.499 -18.954 1.00 0.00 C ATOM 1615 O GLU A 103 16.726 -11.833 -19.048 1.00 0.00 O ATOM 1616 CB GLU A 103 14.919 -9.147 -19.539 1.00 0.00 C ATOM 1617 CG GLU A 103 14.051 -8.887 -18.319 1.00 0.00 C ATOM 1618 CD GLU A 103 14.104 -7.442 -17.863 1.00 0.00 C ATOM 1619 OE1 GLU A 103 14.043 -6.544 -18.728 1.00 0.00 O ATOM 1620 OE2 GLU A 103 14.206 -7.210 -16.640 1.00 0.00 O ATOM 0 H GLU A 103 12.813 -10.472 -19.813 1.00 0.00 H new ATOM 0 HA GLU A 103 15.468 -10.689 -20.932 1.00 0.00 H new ATOM 0 HB2 GLU A 103 15.946 -8.863 -19.311 1.00 0.00 H new ATOM 0 HB3 GLU A 103 14.585 -8.506 -20.355 1.00 0.00 H new ATOM 0 HG2 GLU A 103 13.019 -9.154 -18.548 1.00 0.00 H new ATOM 0 HG3 GLU A 103 14.374 -9.534 -17.503 1.00 0.00 H new ATOM 1627 N LEU A 104 14.761 -11.882 -17.952 1.00 0.00 N ATOM 1628 CA LEU A 104 15.256 -12.738 -16.879 1.00 0.00 C ATOM 1629 C LEU A 104 15.594 -14.130 -17.405 1.00 0.00 C ATOM 1630 O LEU A 104 16.310 -14.892 -16.757 1.00 0.00 O ATOM 1631 CB LEU A 104 14.217 -12.841 -15.761 1.00 0.00 C ATOM 1632 CG LEU A 104 14.029 -11.590 -14.903 1.00 0.00 C ATOM 1633 CD1 LEU A 104 12.613 -11.530 -14.351 1.00 0.00 C ATOM 1634 CD2 LEU A 104 15.046 -11.562 -13.771 1.00 0.00 C ATOM 0 H LEU A 104 13.781 -11.614 -17.860 1.00 0.00 H new ATOM 0 HA LEU A 104 16.166 -12.289 -16.480 1.00 0.00 H new ATOM 0 HB2 LEU A 104 13.257 -13.099 -16.207 1.00 0.00 H new ATOM 0 HB3 LEU A 104 14.497 -13.667 -15.107 1.00 0.00 H new ATOM 0 HG LEU A 104 14.190 -10.714 -15.531 1.00 0.00 H new ATOM 0 HD11 LEU A 104 12.497 -10.633 -13.743 1.00 0.00 H new ATOM 0 HD12 LEU A 104 11.902 -11.503 -15.176 1.00 0.00 H new ATOM 0 HD13 LEU A 104 12.424 -12.411 -13.738 1.00 0.00 H new ATOM 0 HD21 LEU A 104 14.897 -10.665 -13.170 1.00 0.00 H new ATOM 0 HD22 LEU A 104 14.917 -12.444 -13.144 1.00 0.00 H new ATOM 0 HD23 LEU A 104 16.053 -11.557 -14.187 1.00 0.00 H new ATOM 1646 N GLY A 105 15.075 -14.453 -18.585 1.00 0.00 N ATOM 1647 CA GLY A 105 15.335 -15.752 -19.179 1.00 0.00 C ATOM 1648 C GLY A 105 14.469 -16.845 -18.584 1.00 0.00 C ATOM 1649 O GLY A 105 14.547 -18.002 -18.998 1.00 0.00 O ATOM 0 H GLY A 105 14.479 -13.839 -19.141 1.00 0.00 H new ATOM 0 HA2 GLY A 105 15.160 -15.698 -20.254 1.00 0.00 H new ATOM 0 HA3 GLY A 105 16.385 -16.008 -19.040 1.00 0.00 H new ATOM 1653 N ILE A 106 13.643 -16.479 -17.610 1.00 0.00 N ATOM 1654 CA ILE A 106 12.760 -17.437 -16.957 1.00 0.00 C ATOM 1655 C ILE A 106 11.488 -17.655 -17.770 1.00 0.00 C ATOM 1656 O ILE A 106 10.784 -16.703 -18.108 1.00 0.00 O ATOM 1657 CB ILE A 106 12.378 -16.975 -15.539 1.00 0.00 C ATOM 1658 CG1 ILE A 106 13.459 -17.385 -14.537 1.00 0.00 C ATOM 1659 CG2 ILE A 106 11.029 -17.555 -15.139 1.00 0.00 C ATOM 1660 CD1 ILE A 106 14.564 -16.364 -14.389 1.00 0.00 C ATOM 0 H ILE A 106 13.567 -15.526 -17.256 1.00 0.00 H new ATOM 0 HA ILE A 106 13.309 -18.376 -16.888 1.00 0.00 H new ATOM 0 HB ILE A 106 12.300 -15.888 -15.535 1.00 0.00 H new ATOM 0 HG12 ILE A 106 12.997 -17.552 -13.564 1.00 0.00 H new ATOM 0 HG13 ILE A 106 13.892 -18.335 -14.851 1.00 0.00 H new ATOM 0 HG21 ILE A 106 10.772 -17.220 -14.134 1.00 0.00 H new ATOM 0 HG22 ILE A 106 10.266 -17.218 -15.840 1.00 0.00 H new ATOM 0 HG23 ILE A 106 11.082 -18.644 -15.156 1.00 0.00 H new ATOM 0 HD11 ILE A 106 15.295 -16.721 -13.663 1.00 0.00 H new ATOM 0 HD12 ILE A 106 15.052 -16.214 -15.352 1.00 0.00 H new ATOM 0 HD13 ILE A 106 14.143 -15.419 -14.045 1.00 0.00 H new ATOM 1672 N LYS A 107 11.198 -18.914 -18.078 1.00 0.00 N ATOM 1673 CA LYS A 107 10.008 -19.259 -18.848 1.00 0.00 C ATOM 1674 C LYS A 107 8.745 -18.778 -18.142 1.00 0.00 C ATOM 1675 O LYS A 107 8.598 -18.942 -16.930 1.00 0.00 O ATOM 1676 CB LYS A 107 9.939 -20.772 -19.068 1.00 0.00 C ATOM 1677 CG LYS A 107 10.551 -21.224 -20.382 1.00 0.00 C ATOM 1678 CD LYS A 107 12.039 -20.923 -20.437 1.00 0.00 C ATOM 1679 CE LYS A 107 12.309 -19.560 -21.056 1.00 0.00 C ATOM 1680 NZ LYS A 107 13.651 -19.498 -21.699 1.00 0.00 N ATOM 0 H LYS A 107 11.771 -19.713 -17.806 1.00 0.00 H new ATOM 0 HA LYS A 107 10.074 -18.761 -19.815 1.00 0.00 H new ATOM 0 HB2 LYS A 107 10.451 -21.274 -18.247 1.00 0.00 H new ATOM 0 HB3 LYS A 107 8.896 -21.088 -19.035 1.00 0.00 H new ATOM 0 HG2 LYS A 107 10.391 -22.295 -20.510 1.00 0.00 H new ATOM 0 HG3 LYS A 107 10.047 -20.725 -21.210 1.00 0.00 H new ATOM 0 HD2 LYS A 107 12.455 -20.956 -19.430 1.00 0.00 H new ATOM 0 HD3 LYS A 107 12.546 -21.694 -21.017 1.00 0.00 H new ATOM 0 HE2 LYS A 107 11.541 -19.339 -21.797 1.00 0.00 H new ATOM 0 HE3 LYS A 107 12.239 -18.791 -20.286 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 13.610 -18.870 -22.527 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 14.345 -19.129 -21.018 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 13.936 -20.452 -22.001 1.00 0.00 H new ATOM 1694 N LEU A 108 7.835 -18.185 -18.907 1.00 0.00 N ATOM 1695 CA LEU A 108 6.582 -17.681 -18.354 1.00 0.00 C ATOM 1696 C LEU A 108 5.521 -17.549 -19.442 1.00 0.00 C ATOM 1697 O LEU A 108 5.741 -16.895 -20.462 1.00 0.00 O ATOM 1698 CB LEU A 108 6.807 -16.328 -17.678 1.00 0.00 C ATOM 1699 CG LEU A 108 5.851 -15.980 -16.536 1.00 0.00 C ATOM 1700 CD1 LEU A 108 4.406 -16.131 -16.985 1.00 0.00 C ATOM 1701 CD2 LEU A 108 6.129 -16.856 -15.323 1.00 0.00 C ATOM 0 H LEU A 108 7.941 -18.041 -19.911 1.00 0.00 H new ATOM 0 HA LEU A 108 6.228 -18.396 -17.611 1.00 0.00 H new ATOM 0 HB2 LEU A 108 7.826 -16.302 -17.292 1.00 0.00 H new ATOM 0 HB3 LEU A 108 6.734 -15.549 -18.437 1.00 0.00 H new ATOM 0 HG LEU A 108 6.015 -14.940 -16.254 1.00 0.00 H new ATOM 0 HD11 LEU A 108 3.740 -15.879 -16.159 1.00 0.00 H new ATOM 0 HD12 LEU A 108 4.214 -15.462 -17.823 1.00 0.00 H new ATOM 0 HD13 LEU A 108 4.227 -17.161 -17.294 1.00 0.00 H new ATOM 0 HD21 LEU A 108 5.440 -16.595 -14.520 1.00 0.00 H new ATOM 0 HD22 LEU A 108 5.993 -17.904 -15.592 1.00 0.00 H new ATOM 0 HD23 LEU A 108 7.154 -16.698 -14.987 1.00 0.00 H new ATOM 2062 N HIS A 133 -3.202 -17.773 -13.813 1.00 0.00 N ATOM 2063 CA HIS A 133 -2.196 -18.706 -13.316 1.00 0.00 C ATOM 2064 C HIS A 133 -1.007 -18.779 -14.269 1.00 0.00 C ATOM 2065 O HIS A 133 -1.176 -18.924 -15.480 1.00 0.00 O ATOM 2066 CB HIS A 133 -2.805 -20.096 -13.134 1.00 0.00 C ATOM 2067 CG HIS A 133 -1.795 -21.157 -12.823 1.00 0.00 C ATOM 2068 ND1 HIS A 133 -0.951 -21.096 -11.734 1.00 0.00 N ATOM 2069 CD2 HIS A 133 -1.495 -22.310 -13.465 1.00 0.00 C ATOM 2070 CE1 HIS A 133 -0.176 -22.166 -11.721 1.00 0.00 C ATOM 2071 NE2 HIS A 133 -0.486 -22.919 -12.761 1.00 0.00 N ATOM 0 HA HIS A 133 -1.844 -18.343 -12.350 1.00 0.00 H new ATOM 0 HB2 HIS A 133 -3.540 -20.059 -12.330 1.00 0.00 H new ATOM 0 HB3 HIS A 133 -3.340 -20.371 -14.043 1.00 0.00 H new ATOM 0 HD1 HIS A 133 -0.929 -20.343 -11.046 1.00 0.00 H new ATOM 0 HD2 HIS A 133 -1.963 -22.682 -14.365 1.00 0.00 H new ATOM 0 HE1 HIS A 133 0.582 -22.387 -10.985 1.00 0.00 H new ATOM 2079 N VAL A 134 0.197 -18.678 -13.714 1.00 0.00 N ATOM 2080 CA VAL A 134 1.414 -18.733 -14.514 1.00 0.00 C ATOM 2081 C VAL A 134 2.115 -20.078 -14.356 1.00 0.00 C ATOM 2082 O VAL A 134 2.194 -20.621 -13.255 1.00 0.00 O ATOM 2083 CB VAL A 134 2.392 -17.608 -14.127 1.00 0.00 C ATOM 2084 CG1 VAL A 134 1.681 -16.264 -14.112 1.00 0.00 C ATOM 2085 CG2 VAL A 134 3.029 -17.898 -12.776 1.00 0.00 C ATOM 0 H VAL A 134 0.355 -18.558 -12.714 1.00 0.00 H new ATOM 0 HA VAL A 134 1.115 -18.602 -15.554 1.00 0.00 H new ATOM 0 HB VAL A 134 3.184 -17.565 -14.875 1.00 0.00 H new ATOM 0 HG11 VAL A 134 2.388 -15.481 -13.836 1.00 0.00 H new ATOM 0 HG12 VAL A 134 1.277 -16.055 -15.102 1.00 0.00 H new ATOM 0 HG13 VAL A 134 0.868 -16.290 -13.386 1.00 0.00 H new ATOM 0 HG21 VAL A 134 3.717 -17.093 -12.518 1.00 0.00 H new ATOM 0 HG22 VAL A 134 2.252 -17.969 -12.015 1.00 0.00 H new ATOM 0 HG23 VAL A 134 3.575 -18.840 -12.826 1.00 0.00 H new ATOM 2095 N GLU A 135 2.623 -20.609 -15.464 1.00 0.00 N ATOM 2096 CA GLU A 135 3.317 -21.891 -15.447 1.00 0.00 C ATOM 2097 C GLU A 135 4.458 -21.905 -16.460 1.00 0.00 C ATOM 2098 O GLU A 135 4.451 -21.146 -17.431 1.00 0.00 O ATOM 2099 CB GLU A 135 2.340 -23.029 -15.747 1.00 0.00 C ATOM 2100 CG GLU A 135 1.909 -23.093 -17.203 1.00 0.00 C ATOM 2101 CD GLU A 135 0.539 -23.718 -17.378 1.00 0.00 C ATOM 2102 OE1 GLU A 135 -0.361 -23.415 -16.567 1.00 0.00 O ATOM 2103 OE2 GLU A 135 0.366 -24.511 -18.328 1.00 0.00 O ATOM 0 H GLU A 135 2.567 -20.171 -16.384 1.00 0.00 H new ATOM 0 HA GLU A 135 3.736 -22.035 -14.451 1.00 0.00 H new ATOM 0 HB2 GLU A 135 2.803 -23.976 -15.472 1.00 0.00 H new ATOM 0 HB3 GLU A 135 1.456 -22.913 -15.120 1.00 0.00 H new ATOM 0 HG2 GLU A 135 1.901 -22.086 -17.620 1.00 0.00 H new ATOM 0 HG3 GLU A 135 2.642 -23.667 -17.770 1.00 0.00 H new ATOM 2110 N LEU A 136 5.438 -22.772 -16.228 1.00 0.00 N ATOM 2111 CA LEU A 136 6.587 -22.885 -17.119 1.00 0.00 C ATOM 2112 C LEU A 136 6.204 -23.595 -18.414 1.00 0.00 C ATOM 2113 O LEU A 136 5.564 -24.647 -18.392 1.00 0.00 O ATOM 2114 CB LEU A 136 7.722 -23.641 -16.426 1.00 0.00 C ATOM 2115 CG LEU A 136 8.985 -22.832 -16.131 1.00 0.00 C ATOM 2116 CD1 LEU A 136 8.652 -21.608 -15.293 1.00 0.00 C ATOM 2117 CD2 LEU A 136 10.020 -23.698 -15.427 1.00 0.00 C ATOM 0 H LEU A 136 5.460 -23.407 -15.430 1.00 0.00 H new ATOM 0 HA LEU A 136 6.926 -21.879 -17.365 1.00 0.00 H new ATOM 0 HB2 LEU A 136 7.344 -24.042 -15.486 1.00 0.00 H new ATOM 0 HB3 LEU A 136 7.997 -24.493 -17.048 1.00 0.00 H new ATOM 0 HG LEU A 136 9.406 -22.494 -17.078 1.00 0.00 H new ATOM 0 HD11 LEU A 136 9.564 -21.045 -15.093 1.00 0.00 H new ATOM 0 HD12 LEU A 136 7.947 -20.977 -15.834 1.00 0.00 H new ATOM 0 HD13 LEU A 136 8.206 -21.923 -14.350 1.00 0.00 H new ATOM 0 HD21 LEU A 136 10.913 -23.106 -15.225 1.00 0.00 H new ATOM 0 HD22 LEU A 136 9.608 -24.066 -14.487 1.00 0.00 H new ATOM 0 HD23 LEU A 136 10.282 -24.543 -16.064 1.00 0.00 H new ATOM 2129 N VAL A 137 6.601 -23.014 -19.541 1.00 0.00 N ATOM 2130 CA VAL A 137 6.303 -23.592 -20.846 1.00 0.00 C ATOM 2131 C VAL A 137 7.577 -24.040 -21.553 1.00 0.00 C ATOM 2132 O VAL A 137 8.664 -23.621 -21.158 1.00 0.00 O ATOM 2133 CB VAL A 137 5.554 -22.590 -21.746 1.00 0.00 C ATOM 2134 CG1 VAL A 137 4.109 -22.443 -21.294 1.00 0.00 C ATOM 2135 CG2 VAL A 137 6.261 -21.243 -21.746 1.00 0.00 C ATOM 0 H VAL A 137 7.130 -22.143 -19.577 1.00 0.00 H new ATOM 0 HA VAL A 137 5.665 -24.458 -20.670 1.00 0.00 H new ATOM 0 HB VAL A 137 5.553 -22.974 -22.766 1.00 0.00 H new ATOM 0 HG11 VAL A 137 3.596 -21.732 -21.941 1.00 0.00 H new ATOM 0 HG12 VAL A 137 3.610 -23.410 -21.351 1.00 0.00 H new ATOM 0 HG13 VAL A 137 4.084 -22.082 -20.266 1.00 0.00 H new ATOM 0 HG21 VAL A 137 5.719 -20.547 -22.387 1.00 0.00 H new ATOM 0 HG22 VAL A 137 6.295 -20.850 -20.730 1.00 0.00 H new ATOM 0 HG23 VAL A 137 7.277 -21.365 -22.122 1.00 0.00 H new