USER MOD reduce.3.24.130724 H: found=0, std=0, add=470, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 468 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: B 14 ASN : amide:sc= -15.5! C(o=-19!,f=-31!) USER MOD Set 1.2: B 17 THR OG1 : rot 166:sc= -3.36! USER MOD Set 2.1: A 14 ASN : amide:sc= -16.2! C(o=-20!,f=-31!) USER MOD Set 2.2: A 17 THR OG1 : rot 162:sc= -3.32! USER MOD Set 3.1: A 10 CYS SG : rot -104:sc= -10.3! USER MOD Set 3.2: B 10 CYS SG : rot -109:sc= -9.48! 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 8 LYS NZ :NH3+ -156:sc= 0 (180deg=-0.00195) USER MOD Single : A 12 TYR OH : rot -162:sc= -0.638 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 GLN : amide:sc= -6.59! C(o=-6.6!,f=-3.9!) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : B 1 LYS N :NH3+ -125:sc= 0.0767 (180deg=0) USER MOD Single : B 1 LYS NZ :NH3+ -136:sc= -0.0541 (180deg=-0.337) USER MOD Single : B 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 12 TYR OH : rot 180:sc= -0.682 USER MOD Single : B 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 21 GLN : amide:sc= -6.4! C(o=-6.4!,f=-3.9!) USER MOD Single : B 26 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 5.573 3.317 -16.431 1.00 0.00 N ATOM 2 CA LYS A 1 5.975 4.607 -15.803 1.00 0.00 C ATOM 3 C LYS A 1 7.057 4.404 -14.754 1.00 0.00 C ATOM 4 O LYS A 1 8.144 4.979 -14.838 1.00 0.00 O ATOM 5 CB LYS A 1 4.735 5.260 -15.180 1.00 0.00 C ATOM 6 CG LYS A 1 4.991 6.648 -14.608 1.00 0.00 C ATOM 7 CD LYS A 1 4.894 7.724 -15.679 1.00 0.00 C ATOM 8 CE LYS A 1 6.262 8.209 -16.114 1.00 0.00 C ATOM 9 NZ LYS A 1 6.611 9.523 -15.507 1.00 0.00 N ATOM 0 H1 LYS A 1 4.834 3.492 -17.141 1.00 0.00 H new ATOM 0 H2 LYS A 1 6.399 2.882 -16.890 1.00 0.00 H new ATOM 0 H3 LYS A 1 5.206 2.675 -15.700 1.00 0.00 H new ATOM 0 HA LYS A 1 6.392 5.259 -16.570 1.00 0.00 H new ATOM 0 HB2 LYS A 1 3.953 5.328 -15.937 1.00 0.00 H new ATOM 0 HB3 LYS A 1 4.356 4.615 -14.387 1.00 0.00 H new ATOM 0 HG2 LYS A 1 4.269 6.855 -13.818 1.00 0.00 H new ATOM 0 HG3 LYS A 1 5.980 6.677 -14.152 1.00 0.00 H new ATOM 0 HD2 LYS A 1 4.356 7.331 -16.542 1.00 0.00 H new ATOM 0 HD3 LYS A 1 4.314 8.565 -15.298 1.00 0.00 H new ATOM 0 HE2 LYS A 1 7.013 7.470 -15.835 1.00 0.00 H new ATOM 0 HE3 LYS A 1 6.287 8.294 -17.200 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 7.554 9.816 -15.832 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 5.909 10.235 -15.794 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 6.613 9.437 -14.471 1.00 0.00 H new ATOM 25 N LEU A 2 6.734 3.587 -13.772 1.00 0.00 N ATOM 26 CA LEU A 2 7.631 3.271 -12.675 1.00 0.00 C ATOM 27 C LEU A 2 8.995 2.760 -13.110 1.00 0.00 C ATOM 28 O LEU A 2 9.141 2.081 -14.129 1.00 0.00 O ATOM 29 CB LEU A 2 7.029 2.177 -11.843 1.00 0.00 C ATOM 30 CG LEU A 2 5.961 2.582 -10.854 1.00 0.00 C ATOM 31 CD1 LEU A 2 5.472 1.336 -10.176 1.00 0.00 C ATOM 32 CD2 LEU A 2 6.498 3.554 -9.828 1.00 0.00 C ATOM 0 H LEU A 2 5.831 3.117 -13.711 1.00 0.00 H new ATOM 0 HA LEU A 2 7.766 4.209 -12.136 1.00 0.00 H new ATOM 0 HB2 LEU A 2 6.604 1.433 -12.517 1.00 0.00 H new ATOM 0 HB3 LEU A 2 7.833 1.687 -11.293 1.00 0.00 H new ATOM 0 HG LEU A 2 5.149 3.085 -11.379 1.00 0.00 H new ATOM 0 HD11 LEU A 2 4.698 1.595 -9.454 1.00 0.00 H new ATOM 0 HD12 LEU A 2 5.060 0.654 -10.920 1.00 0.00 H new ATOM 0 HD13 LEU A 2 6.302 0.852 -9.661 1.00 0.00 H new ATOM 0 HD21 LEU A 2 5.704 3.824 -9.132 1.00 0.00 H new ATOM 0 HD22 LEU A 2 7.317 3.089 -9.280 1.00 0.00 H new ATOM 0 HD23 LEU A 2 6.861 4.450 -10.331 1.00 0.00 H new ATOM 44 N PRO A 3 9.990 3.022 -12.257 1.00 0.00 N ATOM 45 CA PRO A 3 11.362 2.546 -12.417 1.00 0.00 C ATOM 46 C PRO A 3 11.419 1.058 -12.190 1.00 0.00 C ATOM 47 O PRO A 3 10.517 0.476 -11.586 1.00 0.00 O ATOM 48 CB PRO A 3 12.145 3.256 -11.328 1.00 0.00 C ATOM 49 CG PRO A 3 11.208 4.289 -10.819 1.00 0.00 C ATOM 50 CD PRO A 3 9.837 3.748 -11.010 1.00 0.00 C ATOM 0 HA PRO A 3 11.755 2.744 -13.414 1.00 0.00 H new ATOM 0 HB2 PRO A 3 12.444 2.566 -10.539 1.00 0.00 H new ATOM 0 HB3 PRO A 3 13.057 3.705 -11.722 1.00 0.00 H new ATOM 0 HG2 PRO A 3 11.398 4.500 -9.767 1.00 0.00 H new ATOM 0 HG3 PRO A 3 11.334 5.227 -11.360 1.00 0.00 H new ATOM 0 HD2 PRO A 3 9.534 3.097 -10.190 1.00 0.00 H new ATOM 0 HD3 PRO A 3 9.090 4.538 -11.083 1.00 0.00 H new ATOM 58 N PRO A 4 12.464 0.421 -12.678 1.00 0.00 N ATOM 59 CA PRO A 4 12.655 -1.006 -12.549 1.00 0.00 C ATOM 60 C PRO A 4 12.449 -1.541 -11.165 1.00 0.00 C ATOM 61 O PRO A 4 12.798 -0.918 -10.159 1.00 0.00 O ATOM 62 CB PRO A 4 14.049 -1.166 -13.020 1.00 0.00 C ATOM 63 CG PRO A 4 14.126 -0.161 -14.068 1.00 0.00 C ATOM 64 CD PRO A 4 13.568 1.014 -13.426 1.00 0.00 C ATOM 0 HA PRO A 4 11.919 -1.578 -13.114 1.00 0.00 H new ATOM 0 HB2 PRO A 4 14.773 -0.984 -12.225 1.00 0.00 H new ATOM 0 HB3 PRO A 4 14.239 -2.169 -13.401 1.00 0.00 H new ATOM 0 HG2 PRO A 4 15.153 0.005 -14.395 1.00 0.00 H new ATOM 0 HG3 PRO A 4 13.554 -0.451 -14.949 1.00 0.00 H new ATOM 0 HD2 PRO A 4 14.288 1.510 -12.775 1.00 0.00 H new ATOM 0 HD3 PRO A 4 13.226 1.756 -14.148 1.00 0.00 H new ATOM 72 N GLY A 5 11.862 -2.718 -11.151 1.00 0.00 N ATOM 73 CA GLY A 5 11.567 -3.398 -9.925 1.00 0.00 C ATOM 74 C GLY A 5 10.427 -2.777 -9.113 1.00 0.00 C ATOM 75 O GLY A 5 9.890 -3.435 -8.225 1.00 0.00 O ATOM 0 H GLY A 5 11.579 -3.223 -11.991 1.00 0.00 H new ATOM 0 HA2 GLY A 5 11.313 -4.434 -10.151 1.00 0.00 H new ATOM 0 HA3 GLY A 5 12.466 -3.417 -9.309 1.00 0.00 H new ATOM 79 N TRP A 6 10.055 -1.515 -9.397 1.00 0.00 N ATOM 80 CA TRP A 6 8.992 -0.847 -8.652 1.00 0.00 C ATOM 81 C TRP A 6 7.612 -1.297 -9.092 1.00 0.00 C ATOM 82 O TRP A 6 7.368 -1.546 -10.273 1.00 0.00 O ATOM 83 CB TRP A 6 9.058 0.664 -8.852 1.00 0.00 C ATOM 84 CG TRP A 6 9.974 1.408 -7.963 1.00 0.00 C ATOM 85 CD1 TRP A 6 10.967 2.189 -8.377 1.00 0.00 C ATOM 86 CD2 TRP A 6 9.956 1.508 -6.560 1.00 0.00 C ATOM 87 NE1 TRP A 6 11.646 2.720 -7.329 1.00 0.00 N ATOM 88 CE2 TRP A 6 11.029 2.327 -6.184 1.00 0.00 C ATOM 89 CE3 TRP A 6 9.163 0.982 -5.589 1.00 0.00 C ATOM 90 CZ2 TRP A 6 11.293 2.618 -4.859 1.00 0.00 C ATOM 91 CZ3 TRP A 6 9.424 1.272 -4.292 1.00 0.00 C ATOM 92 CH2 TRP A 6 10.463 2.069 -3.933 1.00 0.00 C ATOM 0 H TRP A 6 10.476 -0.948 -10.133 1.00 0.00 H new ATOM 0 HA TRP A 6 9.147 -1.112 -7.606 1.00 0.00 H new ATOM 0 HB2 TRP A 6 9.351 0.859 -9.884 1.00 0.00 H new ATOM 0 HB3 TRP A 6 8.054 1.069 -8.724 1.00 0.00 H new ATOM 0 HD1 TRP A 6 11.203 2.377 -9.414 1.00 0.00 H new ATOM 0 HE1 TRP A 6 12.475 3.311 -7.390 1.00 0.00 H new ATOM 0 HE3 TRP A 6 8.334 0.340 -5.849 1.00 0.00 H new ATOM 0 HZ2 TRP A 6 12.120 3.252 -4.573 1.00 0.00 H new ATOM 0 HZ3 TRP A 6 8.789 0.858 -3.523 1.00 0.00 H new ATOM 0 HH2 TRP A 6 10.634 2.272 -2.886 1.00 0.00 H new ATOM 103 N GLU A 7 6.706 -1.333 -8.129 1.00 0.00 N ATOM 104 CA GLU A 7 5.317 -1.680 -8.373 1.00 0.00 C ATOM 105 C GLU A 7 4.454 -1.032 -7.303 1.00 0.00 C ATOM 106 O GLU A 7 4.683 -1.226 -6.106 1.00 0.00 O ATOM 107 CB GLU A 7 5.103 -3.202 -8.383 1.00 0.00 C ATOM 108 CG GLU A 7 5.656 -3.907 -9.615 1.00 0.00 C ATOM 109 CD GLU A 7 4.831 -3.646 -10.862 1.00 0.00 C ATOM 110 OE1 GLU A 7 5.004 -2.573 -11.478 1.00 0.00 O ATOM 111 OE2 GLU A 7 4.011 -4.517 -11.224 1.00 0.00 O ATOM 0 H GLU A 7 6.914 -1.122 -7.153 1.00 0.00 H new ATOM 0 HA GLU A 7 5.033 -1.310 -9.358 1.00 0.00 H new ATOM 0 HB2 GLU A 7 5.570 -3.628 -7.495 1.00 0.00 H new ATOM 0 HB3 GLU A 7 4.035 -3.407 -8.311 1.00 0.00 H new ATOM 0 HG2 GLU A 7 6.681 -3.577 -9.787 1.00 0.00 H new ATOM 0 HG3 GLU A 7 5.693 -4.980 -9.428 1.00 0.00 H new ATOM 118 N LYS A 8 3.476 -0.246 -7.736 1.00 0.00 N ATOM 119 CA LYS A 8 2.600 0.448 -6.808 1.00 0.00 C ATOM 120 C LYS A 8 1.616 -0.541 -6.171 1.00 0.00 C ATOM 121 O LYS A 8 0.921 -1.274 -6.878 1.00 0.00 O ATOM 122 CB LYS A 8 1.813 1.570 -7.539 1.00 0.00 C ATOM 123 CG LYS A 8 1.150 2.563 -6.589 1.00 0.00 C ATOM 124 CD LYS A 8 -0.365 2.537 -6.722 1.00 0.00 C ATOM 125 CE LYS A 8 -0.833 3.305 -7.950 1.00 0.00 C ATOM 126 NZ LYS A 8 -1.419 2.405 -8.983 1.00 0.00 N ATOM 0 H LYS A 8 3.272 -0.075 -8.721 1.00 0.00 H new ATOM 0 HA LYS A 8 3.213 0.898 -6.027 1.00 0.00 H new ATOM 0 HB2 LYS A 8 2.492 2.109 -8.200 1.00 0.00 H new ATOM 0 HB3 LYS A 8 1.049 1.116 -8.169 1.00 0.00 H new ATOM 0 HG2 LYS A 8 1.430 2.328 -5.562 1.00 0.00 H new ATOM 0 HG3 LYS A 8 1.517 3.568 -6.797 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -0.708 1.504 -6.786 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -0.817 2.968 -5.829 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -1.575 4.046 -7.653 1.00 0.00 H new ATOM 0 HE3 LYS A 8 0.008 3.850 -8.379 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -1.350 2.857 -9.917 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -0.898 1.505 -8.995 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -2.418 2.224 -8.759 1.00 0.00 H new ATOM 140 N ARG A 9 1.564 -0.556 -4.839 1.00 0.00 N ATOM 141 CA ARG A 9 0.664 -1.457 -4.112 1.00 0.00 C ATOM 142 C ARG A 9 -0.143 -0.696 -3.063 1.00 0.00 C ATOM 143 O ARG A 9 0.355 0.261 -2.471 1.00 0.00 O ATOM 144 CB ARG A 9 1.465 -2.577 -3.440 1.00 0.00 C ATOM 145 CG ARG A 9 1.086 -3.971 -3.919 1.00 0.00 C ATOM 146 CD ARG A 9 1.732 -4.301 -5.256 1.00 0.00 C ATOM 147 NE ARG A 9 3.151 -4.161 -5.233 1.00 0.00 N ATOM 148 CZ ARG A 9 3.977 -5.119 -4.871 1.00 0.00 C ATOM 149 NH1 ARG A 9 3.554 -6.230 -4.272 1.00 0.00 N ATOM 150 NH2 ARG A 9 5.232 -4.932 -5.118 1.00 0.00 N ATOM 0 H ARG A 9 2.132 0.043 -4.241 1.00 0.00 H new ATOM 0 HA ARG A 9 -0.030 -1.893 -4.831 1.00 0.00 H new ATOM 0 HB2 ARG A 9 2.527 -2.415 -3.626 1.00 0.00 H new ATOM 0 HB3 ARG A 9 1.318 -2.520 -2.361 1.00 0.00 H new ATOM 0 HG2 ARG A 9 1.392 -4.707 -3.175 1.00 0.00 H new ATOM 0 HG3 ARG A 9 0.002 -4.042 -4.011 1.00 0.00 H new ATOM 0 HD2 ARG A 9 1.477 -5.323 -5.535 1.00 0.00 H new ATOM 0 HD3 ARG A 9 1.319 -3.648 -6.025 1.00 0.00 H new ATOM 0 HE ARG A 9 3.549 -3.265 -5.514 1.00 0.00 H new ATOM 0 HH11 ARG A 9 2.561 -6.359 -4.080 1.00 0.00 H new ATOM 0 HH12 ARG A 9 4.223 -6.952 -4.005 1.00 0.00 H new ATOM 0 HH21 ARG A 9 5.540 -4.073 -5.573 1.00 0.00 H new ATOM 0 HH22 ARG A 9 5.915 -5.644 -4.858 1.00 0.00 H new ATOM 164 N CYS A 10 -1.390 -1.123 -2.834 1.00 0.00 N ATOM 165 CA CYS A 10 -2.252 -0.464 -1.848 1.00 0.00 C ATOM 166 C CYS A 10 -2.979 -1.468 -0.959 1.00 0.00 C ATOM 167 O CYS A 10 -3.887 -2.169 -1.411 1.00 0.00 O ATOM 168 CB CYS A 10 -3.285 0.439 -2.534 1.00 0.00 C ATOM 169 SG CYS A 10 -2.600 1.528 -3.824 1.00 0.00 S ATOM 0 H CYS A 10 -1.821 -1.914 -3.313 1.00 0.00 H new ATOM 0 HA CYS A 10 -1.597 0.141 -1.222 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -4.058 -0.188 -2.979 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -3.770 1.055 -1.777 1.00 0.00 H new ATOM 0 HG CYS A 10 -2.518 2.743 -3.368 1.00 0.00 H new ATOM 174 N PHE A 11 -2.596 -1.505 0.319 1.00 0.00 N ATOM 175 CA PHE A 11 -3.237 -2.392 1.284 1.00 0.00 C ATOM 176 C PHE A 11 -3.998 -1.568 2.326 1.00 0.00 C ATOM 177 O PHE A 11 -3.477 -0.577 2.847 1.00 0.00 O ATOM 178 CB PHE A 11 -2.210 -3.303 1.992 1.00 0.00 C ATOM 179 CG PHE A 11 -1.336 -2.588 2.983 1.00 0.00 C ATOM 180 CD1 PHE A 11 -1.792 -2.354 4.269 1.00 0.00 C ATOM 181 CD2 PHE A 11 -0.066 -2.162 2.636 1.00 0.00 C ATOM 182 CE1 PHE A 11 -0.997 -1.704 5.193 1.00 0.00 C ATOM 183 CE2 PHE A 11 0.735 -1.510 3.556 1.00 0.00 C ATOM 184 CZ PHE A 11 0.268 -1.282 4.836 1.00 0.00 C ATOM 0 H PHE A 11 -1.847 -0.931 0.706 1.00 0.00 H new ATOM 0 HA PHE A 11 -3.932 -3.029 0.737 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -2.743 -4.103 2.505 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -1.578 -3.773 1.239 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -2.781 -2.683 4.553 1.00 0.00 H new ATOM 0 HD2 PHE A 11 0.303 -2.340 1.637 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -1.364 -1.526 6.193 1.00 0.00 H new ATOM 0 HE2 PHE A 11 1.724 -1.180 3.274 1.00 0.00 H new ATOM 0 HZ PHE A 11 0.892 -0.774 5.557 1.00 0.00 H new ATOM 194 N TYR A 12 -5.209 -2.000 2.654 1.00 0.00 N ATOM 195 CA TYR A 12 -6.009 -1.332 3.667 1.00 0.00 C ATOM 196 C TYR A 12 -5.532 -1.812 5.026 1.00 0.00 C ATOM 197 O TYR A 12 -5.187 -2.985 5.171 1.00 0.00 O ATOM 198 CB TYR A 12 -7.503 -1.653 3.501 1.00 0.00 C ATOM 199 CG TYR A 12 -8.200 -0.660 2.597 1.00 0.00 C ATOM 200 CD1 TYR A 12 -8.256 -0.857 1.221 1.00 0.00 C ATOM 201 CD2 TYR A 12 -8.788 0.486 3.104 1.00 0.00 C ATOM 202 CE1 TYR A 12 -8.871 0.032 0.394 1.00 0.00 C ATOM 203 CE2 TYR A 12 -9.397 1.379 2.287 1.00 0.00 C ATOM 204 CZ TYR A 12 -9.448 1.163 0.926 1.00 0.00 C ATOM 205 OH TYR A 12 -10.069 2.080 0.107 1.00 0.00 O ATOM 0 H TYR A 12 -5.658 -2.812 2.231 1.00 0.00 H new ATOM 0 HA TYR A 12 -5.891 -0.253 3.568 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -7.615 -2.657 3.091 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -7.985 -1.653 4.479 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -7.799 -1.739 0.798 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -8.761 0.671 4.168 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -8.906 -0.148 -0.670 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -9.846 2.268 2.705 1.00 0.00 H new ATOM 0 HH TYR A 12 -10.161 2.933 0.581 1.00 0.00 H new ATOM 215 N PHE A 13 -5.513 -0.934 6.017 1.00 0.00 N ATOM 216 CA PHE A 13 -5.092 -1.337 7.359 1.00 0.00 C ATOM 217 C PHE A 13 -6.125 -0.917 8.373 1.00 0.00 C ATOM 218 O PHE A 13 -6.348 0.275 8.590 1.00 0.00 O ATOM 219 CB PHE A 13 -3.754 -0.731 7.745 1.00 0.00 C ATOM 220 CG PHE A 13 -3.096 -1.481 8.867 1.00 0.00 C ATOM 221 CD1 PHE A 13 -2.278 -2.553 8.590 1.00 0.00 C ATOM 222 CD2 PHE A 13 -3.291 -1.115 10.195 1.00 0.00 C ATOM 223 CE1 PHE A 13 -1.652 -3.243 9.600 1.00 0.00 C ATOM 224 CE2 PHE A 13 -2.671 -1.798 11.212 1.00 0.00 C ATOM 225 CZ PHE A 13 -1.841 -2.864 10.918 1.00 0.00 C ATOM 0 H PHE A 13 -5.778 0.047 5.926 1.00 0.00 H new ATOM 0 HA PHE A 13 -4.987 -2.422 7.348 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -3.095 -0.727 6.877 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -3.899 0.308 8.040 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -2.126 -2.856 7.565 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -3.938 -0.283 10.429 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -1.012 -4.081 9.366 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -2.831 -1.503 12.239 1.00 0.00 H new ATOM 0 HZ PHE A 13 -1.342 -3.399 11.713 1.00 0.00 H new ATOM 235 N ASN A 14 -6.739 -1.898 9.010 1.00 0.00 N ATOM 236 CA ASN A 14 -7.726 -1.618 10.014 1.00 0.00 C ATOM 237 C ASN A 14 -7.065 -1.683 11.364 1.00 0.00 C ATOM 238 O ASN A 14 -7.138 -2.703 12.029 1.00 0.00 O ATOM 239 CB ASN A 14 -8.916 -2.585 9.989 1.00 0.00 C ATOM 240 CG ASN A 14 -8.570 -4.007 9.639 1.00 0.00 C ATOM 241 OD1 ASN A 14 -7.455 -4.301 9.258 1.00 0.00 O ATOM 242 ND2 ASN A 14 -9.553 -4.896 9.748 1.00 0.00 N ATOM 0 H ASN A 14 -6.566 -2.890 8.844 1.00 0.00 H new ATOM 0 HA ASN A 14 -8.127 -0.626 9.807 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -9.395 -2.574 10.968 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -9.649 -2.218 9.271 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -9.386 -5.873 9.507 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -10.474 -4.601 10.073 1.00 0.00 H new ATOM 249 N ARG A 15 -6.389 -0.608 11.742 1.00 0.00 N ATOM 250 CA ARG A 15 -5.663 -0.550 13.003 1.00 0.00 C ATOM 251 C ARG A 15 -6.465 -1.100 14.198 1.00 0.00 C ATOM 252 O ARG A 15 -5.860 -1.464 15.209 1.00 0.00 O ATOM 253 CB ARG A 15 -5.129 0.867 13.240 1.00 0.00 C ATOM 254 CG ARG A 15 -4.935 1.246 14.696 1.00 0.00 C ATOM 255 CD ARG A 15 -3.467 1.175 15.097 1.00 0.00 C ATOM 256 NE ARG A 15 -2.676 2.237 14.473 1.00 0.00 N ATOM 257 CZ ARG A 15 -2.637 3.500 14.906 1.00 0.00 C ATOM 258 NH1 ARG A 15 -3.346 3.875 15.969 1.00 0.00 N ATOM 259 NH2 ARG A 15 -1.887 4.395 14.271 1.00 0.00 N ATOM 0 H ARG A 15 -6.328 0.245 11.186 1.00 0.00 H new ATOM 0 HA ARG A 15 -4.809 -1.222 12.921 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -4.175 0.970 12.724 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -5.817 1.579 12.784 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -5.312 2.255 14.864 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -5.519 0.578 15.329 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -3.383 1.250 16.181 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -3.060 0.205 14.812 1.00 0.00 H new ATOM 0 HE ARG A 15 -2.118 1.997 13.654 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -3.926 3.195 16.461 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -3.309 4.842 16.291 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -1.343 4.117 13.455 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -1.856 5.360 14.600 1.00 0.00 H new ATOM 273 N ILE A 16 -7.802 -1.251 14.083 1.00 0.00 N ATOM 274 CA ILE A 16 -8.563 -1.830 15.130 1.00 0.00 C ATOM 275 C ILE A 16 -8.155 -3.269 15.281 1.00 0.00 C ATOM 276 O ILE A 16 -7.755 -3.734 16.349 1.00 0.00 O ATOM 277 CB ILE A 16 -10.019 -1.784 14.792 1.00 0.00 C ATOM 278 CG1 ILE A 16 -10.557 -0.367 14.931 1.00 0.00 C ATOM 279 CG2 ILE A 16 -10.700 -2.744 15.706 1.00 0.00 C ATOM 280 CD1 ILE A 16 -9.574 0.695 15.394 1.00 0.00 C ATOM 0 H ILE A 16 -8.344 -0.971 13.266 1.00 0.00 H new ATOM 0 HA ILE A 16 -8.386 -1.277 16.052 1.00 0.00 H new ATOM 0 HB ILE A 16 -10.201 -2.069 13.756 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -10.960 -0.060 13.966 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -11.391 -0.387 15.632 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -11.770 -2.747 15.498 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -10.297 -3.744 15.549 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -10.532 -2.443 16.740 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -10.080 1.659 15.452 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -9.187 0.428 16.377 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -8.749 0.761 14.685 1.00 0.00 H new ATOM 292 N THR A 17 -8.229 -3.939 14.150 1.00 0.00 N ATOM 293 CA THR A 17 -7.847 -5.310 14.032 1.00 0.00 C ATOM 294 C THR A 17 -6.478 -5.374 13.408 1.00 0.00 C ATOM 295 O THR A 17 -6.050 -6.420 12.918 1.00 0.00 O ATOM 296 CB THR A 17 -8.906 -6.044 13.233 1.00 0.00 C ATOM 297 OG1 THR A 17 -8.639 -5.997 11.848 1.00 0.00 O ATOM 298 CG2 THR A 17 -10.266 -5.454 13.518 1.00 0.00 C ATOM 0 H THR A 17 -8.564 -3.529 13.278 1.00 0.00 H new ATOM 0 HA THR A 17 -7.783 -5.800 15.003 1.00 0.00 H new ATOM 0 HB THR A 17 -8.891 -7.090 13.539 1.00 0.00 H new ATOM 0 HG1 THR A 17 -9.151 -6.697 11.392 1.00 0.00 H new ATOM 0 HG21 THR A 17 -11.022 -5.986 12.940 1.00 0.00 H new ATOM 0 HG22 THR A 17 -10.488 -5.549 14.581 1.00 0.00 H new ATOM 0 HG23 THR A 17 -10.271 -4.400 13.239 1.00 0.00 H new ATOM 306 N GLY A 18 -5.836 -4.188 13.404 1.00 0.00 N ATOM 307 CA GLY A 18 -4.546 -3.978 12.780 1.00 0.00 C ATOM 308 C GLY A 18 -4.340 -4.893 11.603 1.00 0.00 C ATOM 309 O GLY A 18 -3.222 -5.333 11.328 1.00 0.00 O ATOM 0 H GLY A 18 -6.216 -3.350 13.843 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -4.465 -2.941 12.453 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -3.756 -4.144 13.513 1.00 0.00 H new ATOM 313 N LYS A 19 -5.447 -5.213 10.928 1.00 0.00 N ATOM 314 CA LYS A 19 -5.410 -6.109 9.806 1.00 0.00 C ATOM 315 C LYS A 19 -5.037 -5.417 8.522 1.00 0.00 C ATOM 316 O LYS A 19 -5.154 -4.201 8.386 1.00 0.00 O ATOM 317 CB LYS A 19 -6.751 -6.766 9.643 1.00 0.00 C ATOM 318 CG LYS A 19 -6.838 -8.066 10.358 1.00 0.00 C ATOM 319 CD LYS A 19 -8.027 -8.893 9.895 1.00 0.00 C ATOM 320 CE LYS A 19 -7.804 -10.376 10.147 1.00 0.00 C ATOM 321 NZ LYS A 19 -8.283 -10.793 11.495 1.00 0.00 N ATOM 0 H LYS A 19 -6.375 -4.855 11.152 1.00 0.00 H new ATOM 0 HA LYS A 19 -4.639 -6.851 10.013 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -7.527 -6.097 10.015 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -6.948 -6.924 8.583 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -5.919 -8.630 10.197 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -6.918 -7.885 11.430 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -8.926 -8.565 10.417 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -8.197 -8.725 8.832 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -8.323 -10.955 9.383 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -6.742 -10.604 10.053 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -8.112 -11.811 11.625 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -7.770 -10.260 12.226 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -9.302 -10.600 11.576 1.00 0.00 H new ATOM 335 N ARG A 20 -4.599 -6.216 7.576 1.00 0.00 N ATOM 336 CA ARG A 20 -4.232 -5.705 6.282 1.00 0.00 C ATOM 337 C ARG A 20 -4.803 -6.534 5.165 1.00 0.00 C ATOM 338 O ARG A 20 -4.838 -7.765 5.222 1.00 0.00 O ATOM 339 CB ARG A 20 -2.732 -5.620 6.125 1.00 0.00 C ATOM 340 CG ARG A 20 -2.031 -6.970 6.026 1.00 0.00 C ATOM 341 CD ARG A 20 -1.677 -7.515 7.402 1.00 0.00 C ATOM 342 NE ARG A 20 -1.149 -8.877 7.334 1.00 0.00 N ATOM 343 CZ ARG A 20 0.146 -9.175 7.188 1.00 0.00 C ATOM 344 NH1 ARG A 20 1.057 -8.210 7.082 1.00 0.00 N ATOM 345 NH2 ARG A 20 0.531 -10.446 7.145 1.00 0.00 N ATOM 0 H ARG A 20 -4.489 -7.225 7.682 1.00 0.00 H new ATOM 0 HA ARG A 20 -4.654 -4.702 6.220 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -2.505 -5.040 5.230 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -2.321 -5.072 6.973 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -2.676 -7.679 5.507 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -1.125 -6.868 5.429 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -0.940 -6.864 7.871 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -2.563 -7.501 8.036 1.00 0.00 H new ATOM 0 HE ARG A 20 -1.812 -9.649 7.402 1.00 0.00 H new ATOM 0 HH11 ARG A 20 0.770 -7.232 7.112 1.00 0.00 H new ATOM 0 HH12 ARG A 20 2.042 -8.449 6.971 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -0.161 -11.191 7.223 1.00 0.00 H new ATOM 0 HH22 ARG A 20 1.518 -10.676 7.034 1.00 0.00 H new ATOM 359 N GLN A 21 -5.241 -5.833 4.146 1.00 0.00 N ATOM 360 CA GLN A 21 -5.808 -6.457 2.983 1.00 0.00 C ATOM 361 C GLN A 21 -5.609 -5.554 1.787 1.00 0.00 C ATOM 362 O GLN A 21 -5.682 -4.338 1.920 1.00 0.00 O ATOM 363 CB GLN A 21 -7.287 -6.702 3.178 1.00 0.00 C ATOM 364 CG GLN A 21 -7.832 -6.114 4.447 1.00 0.00 C ATOM 365 CD GLN A 21 -9.254 -6.524 4.730 1.00 0.00 C ATOM 366 OE1 GLN A 21 -9.510 -7.351 5.605 1.00 0.00 O ATOM 367 NE2 GLN A 21 -10.189 -5.956 3.998 1.00 0.00 N ATOM 0 H GLN A 21 -5.213 -4.814 4.104 1.00 0.00 H new ATOM 0 HA GLN A 21 -5.311 -7.413 2.821 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -7.831 -6.284 2.331 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -7.472 -7.776 3.176 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -7.200 -6.419 5.281 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -7.779 -5.027 4.388 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -9.933 -5.275 3.283 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -11.169 -6.197 4.146 1.00 0.00 H new ATOM 376 N PHE A 22 -5.417 -6.124 0.612 1.00 0.00 N ATOM 377 CA PHE A 22 -5.278 -5.304 -0.592 1.00 0.00 C ATOM 378 C PHE A 22 -6.679 -4.948 -1.104 1.00 0.00 C ATOM 379 O PHE A 22 -6.957 -4.992 -2.305 1.00 0.00 O ATOM 380 CB PHE A 22 -4.511 -6.064 -1.667 1.00 0.00 C ATOM 381 CG PHE A 22 -3.027 -6.109 -1.434 1.00 0.00 C ATOM 382 CD1 PHE A 22 -2.258 -4.962 -1.539 1.00 0.00 C ATOM 383 CD2 PHE A 22 -2.398 -7.298 -1.105 1.00 0.00 C ATOM 384 CE1 PHE A 22 -0.903 -5.001 -1.324 1.00 0.00 C ATOM 385 CE2 PHE A 22 -1.042 -7.340 -0.889 1.00 0.00 C ATOM 386 CZ PHE A 22 -0.298 -6.190 -0.999 1.00 0.00 C ATOM 0 H PHE A 22 -5.354 -7.130 0.459 1.00 0.00 H new ATOM 0 HA PHE A 22 -4.723 -4.396 -0.354 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -4.892 -7.084 -1.720 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -4.704 -5.601 -2.635 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -2.731 -4.025 -1.793 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -2.981 -8.203 -1.017 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -0.315 -4.099 -1.410 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -0.562 -8.273 -0.634 1.00 0.00 H new ATOM 0 HZ PHE A 22 0.768 -6.221 -0.829 1.00 0.00 H new ATOM 396 N GLU A 23 -7.567 -4.661 -0.155 1.00 0.00 N ATOM 397 CA GLU A 23 -8.957 -4.369 -0.422 1.00 0.00 C ATOM 398 C GLU A 23 -9.511 -3.293 0.437 1.00 0.00 C ATOM 399 O GLU A 23 -9.168 -3.184 1.609 1.00 0.00 O ATOM 400 CB GLU A 23 -9.784 -5.604 -0.100 1.00 0.00 C ATOM 401 CG GLU A 23 -10.972 -5.313 0.819 1.00 0.00 C ATOM 402 CD GLU A 23 -11.770 -6.552 1.180 1.00 0.00 C ATOM 403 OE1 GLU A 23 -11.160 -7.546 1.630 1.00 0.00 O ATOM 404 OE2 GLU A 23 -13.008 -6.526 1.016 1.00 0.00 O ATOM 0 H GLU A 23 -7.328 -4.626 0.836 1.00 0.00 H new ATOM 0 HA GLU A 23 -9.005 -4.060 -1.466 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -10.151 -6.040 -1.029 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -9.143 -6.349 0.371 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -10.609 -4.844 1.734 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -11.631 -4.594 0.332 1.00 0.00 H new ATOM 411 N ARG A 24 -10.499 -2.632 -0.135 1.00 0.00 N ATOM 412 CA ARG A 24 -11.277 -1.665 0.568 1.00 0.00 C ATOM 413 C ARG A 24 -12.358 -2.457 1.277 1.00 0.00 C ATOM 414 O ARG A 24 -13.287 -2.985 0.662 1.00 0.00 O ATOM 415 CB ARG A 24 -11.823 -0.637 -0.387 1.00 0.00 C ATOM 416 CG ARG A 24 -12.738 0.335 0.280 1.00 0.00 C ATOM 417 CD ARG A 24 -12.937 1.565 -0.580 1.00 0.00 C ATOM 418 NE ARG A 24 -12.886 2.799 0.194 1.00 0.00 N ATOM 419 CZ ARG A 24 -13.857 3.223 1.007 1.00 0.00 C ATOM 420 NH1 ARG A 24 -14.969 2.508 1.168 1.00 0.00 N ATOM 421 NH2 ARG A 24 -13.715 4.370 1.662 1.00 0.00 N ATOM 0 H ARG A 24 -10.776 -2.761 -1.108 1.00 0.00 H new ATOM 0 HA ARG A 24 -10.694 -1.096 1.293 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -10.995 -0.096 -0.845 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -12.358 -1.141 -1.191 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -13.701 -0.139 0.473 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -12.326 0.625 1.247 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -12.169 1.592 -1.353 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -13.899 1.498 -1.088 1.00 0.00 H new ATOM 0 HE ARG A 24 -12.051 3.379 0.109 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -15.086 1.627 0.668 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -15.704 2.842 1.792 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -12.867 4.924 1.543 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -14.454 4.697 2.284 1.00 0.00 H new ATOM 435 N PRO A 25 -12.182 -2.600 2.585 1.00 0.00 N ATOM 436 CA PRO A 25 -13.059 -3.391 3.454 1.00 0.00 C ATOM 437 C PRO A 25 -14.427 -2.817 3.635 1.00 0.00 C ATOM 438 O PRO A 25 -14.636 -1.603 3.571 1.00 0.00 O ATOM 439 CB PRO A 25 -12.338 -3.423 4.769 1.00 0.00 C ATOM 440 CG PRO A 25 -10.964 -2.951 4.482 1.00 0.00 C ATOM 441 CD PRO A 25 -11.073 -2.014 3.331 1.00 0.00 C ATOM 0 HA PRO A 25 -13.237 -4.372 3.013 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -12.828 -2.781 5.500 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -12.327 -4.430 5.186 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -10.536 -2.451 5.351 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -10.308 -3.788 4.241 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -11.287 -0.994 3.651 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -10.156 -1.978 2.743 1.00 0.00 H new ATOM 449 N SER A 26 -15.358 -3.720 3.861 1.00 0.00 N ATOM 450 CA SER A 26 -16.715 -3.352 4.053 1.00 0.00 C ATOM 451 C SER A 26 -16.944 -2.698 5.369 1.00 0.00 C ATOM 452 O SER A 26 -16.357 -3.020 6.403 1.00 0.00 O ATOM 453 CB SER A 26 -17.667 -4.498 3.889 1.00 0.00 C ATOM 454 OG SER A 26 -17.672 -5.349 5.024 1.00 0.00 O ATOM 0 H SER A 26 -15.180 -4.723 3.914 1.00 0.00 H new ATOM 0 HA SER A 26 -16.921 -2.631 3.262 1.00 0.00 H new ATOM 0 HB2 SER A 26 -18.673 -4.113 3.720 1.00 0.00 H new ATOM 0 HB3 SER A 26 -17.393 -5.074 3.005 1.00 0.00 H new ATOM 0 HG SER A 26 -18.306 -6.083 4.880 1.00 0.00 H new ATOM 460 N ASP A 27 -17.820 -1.765 5.249 1.00 0.00 N ATOM 461 CA ASP A 27 -18.264 -0.915 6.310 1.00 0.00 C ATOM 462 C ASP A 27 -18.786 -1.697 7.521 1.00 0.00 C ATOM 463 O ASP A 27 -18.526 -1.257 8.660 1.00 0.00 O ATOM 464 CB ASP A 27 -19.302 0.019 5.732 1.00 0.00 C ATOM 465 CG ASP A 27 -20.690 -0.143 6.329 1.00 0.00 C ATOM 466 OD1 ASP A 27 -20.983 0.525 7.343 1.00 0.00 O ATOM 467 OD2 ASP A 27 -21.483 -0.939 5.782 1.00 0.00 O ATOM 468 OXT ASP A 27 -19.447 -2.740 7.320 1.00 0.00 O ATOM 0 H ASP A 27 -18.275 -1.558 4.360 1.00 0.00 H new ATOM 0 HA ASP A 27 -17.423 -0.344 6.703 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -18.972 1.047 5.882 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -19.361 -0.143 4.656 1.00 0.00 H new TER 473 ASP A 27 ATOM 474 N LYS B 1 -17.843 5.732 3.857 1.00 0.00 N ATOM 475 CA LYS B 1 -16.365 5.682 4.040 1.00 0.00 C ATOM 476 C LYS B 1 -15.929 4.386 4.727 1.00 0.00 C ATOM 477 O LYS B 1 -16.766 3.603 5.184 1.00 0.00 O ATOM 478 CB LYS B 1 -15.927 6.900 4.865 1.00 0.00 C ATOM 479 CG LYS B 1 -16.360 6.851 6.324 1.00 0.00 C ATOM 480 CD LYS B 1 -15.182 7.068 7.263 1.00 0.00 C ATOM 481 CE LYS B 1 -15.620 7.111 8.715 1.00 0.00 C ATOM 482 NZ LYS B 1 -16.615 8.192 8.974 1.00 0.00 N ATOM 0 H1 LYS B 1 -18.063 5.894 2.854 1.00 0.00 H new ATOM 0 H2 LYS B 1 -18.261 4.830 4.162 1.00 0.00 H new ATOM 0 H3 LYS B 1 -18.237 6.507 4.427 1.00 0.00 H new ATOM 0 HA LYS B 1 -15.887 5.704 3.061 1.00 0.00 H new ATOM 0 HB2 LYS B 1 -14.841 6.983 4.822 1.00 0.00 H new ATOM 0 HB3 LYS B 1 -16.334 7.801 4.406 1.00 0.00 H new ATOM 0 HG2 LYS B 1 -17.117 7.614 6.506 1.00 0.00 H new ATOM 0 HG3 LYS B 1 -16.822 5.887 6.535 1.00 0.00 H new ATOM 0 HD2 LYS B 1 -14.456 6.267 7.126 1.00 0.00 H new ATOM 0 HD3 LYS B 1 -14.680 8.001 7.007 1.00 0.00 H new ATOM 0 HE2 LYS B 1 -16.052 6.149 8.991 1.00 0.00 H new ATOM 0 HE3 LYS B 1 -14.748 7.263 9.351 1.00 0.00 H new ATOM 0 HZ1 LYS B 1 -16.367 8.689 9.853 1.00 0.00 H new ATOM 0 HZ2 LYS B 1 -16.609 8.866 8.182 1.00 0.00 H new ATOM 0 HZ3 LYS B 1 -17.563 7.776 9.067 1.00 0.00 H new ATOM 498 N LEU B 2 -14.614 4.167 4.792 1.00 0.00 N ATOM 499 CA LEU B 2 -14.049 2.981 5.412 1.00 0.00 C ATOM 500 C LEU B 2 -14.584 2.695 6.806 1.00 0.00 C ATOM 501 O LEU B 2 -14.910 3.601 7.577 1.00 0.00 O ATOM 502 CB LEU B 2 -12.566 3.154 5.566 1.00 0.00 C ATOM 503 CG LEU B 2 -11.716 2.916 4.338 1.00 0.00 C ATOM 504 CD1 LEU B 2 -10.296 3.236 4.697 1.00 0.00 C ATOM 505 CD2 LEU B 2 -11.818 1.485 3.864 1.00 0.00 C ATOM 0 H LEU B 2 -13.917 4.810 4.415 1.00 0.00 H new ATOM 0 HA LEU B 2 -14.323 2.156 4.754 1.00 0.00 H new ATOM 0 HB2 LEU B 2 -12.378 4.169 5.917 1.00 0.00 H new ATOM 0 HB3 LEU B 2 -12.226 2.478 6.350 1.00 0.00 H new ATOM 0 HG LEU B 2 -12.066 3.551 3.525 1.00 0.00 H new ATOM 0 HD11 LEU B 2 -9.656 3.074 3.830 1.00 0.00 H new ATOM 0 HD12 LEU B 2 -10.226 4.278 5.010 1.00 0.00 H new ATOM 0 HD13 LEU B 2 -9.972 2.589 5.513 1.00 0.00 H new ATOM 0 HD21 LEU B 2 -11.195 1.349 2.980 1.00 0.00 H new ATOM 0 HD22 LEU B 2 -11.478 0.815 4.654 1.00 0.00 H new ATOM 0 HD23 LEU B 2 -12.855 1.257 3.616 1.00 0.00 H new ATOM 517 N PRO B 3 -14.580 1.405 7.156 1.00 0.00 N ATOM 518 CA PRO B 3 -14.958 0.909 8.476 1.00 0.00 C ATOM 519 C PRO B 3 -13.932 1.326 9.497 1.00 0.00 C ATOM 520 O PRO B 3 -12.798 1.662 9.153 1.00 0.00 O ATOM 521 CB PRO B 3 -14.954 -0.602 8.336 1.00 0.00 C ATOM 522 CG PRO B 3 -14.868 -0.833 6.872 1.00 0.00 C ATOM 523 CD PRO B 3 -14.126 0.323 6.301 1.00 0.00 C ATOM 0 HA PRO B 3 -15.923 1.297 8.802 1.00 0.00 H new ATOM 0 HB2 PRO B 3 -14.108 -1.048 8.860 1.00 0.00 H new ATOM 0 HB3 PRO B 3 -15.858 -1.043 8.756 1.00 0.00 H new ATOM 0 HG2 PRO B 3 -14.352 -1.769 6.657 1.00 0.00 H new ATOM 0 HG3 PRO B 3 -15.863 -0.910 6.433 1.00 0.00 H new ATOM 0 HD2 PRO B 3 -13.046 0.184 6.353 1.00 0.00 H new ATOM 0 HD3 PRO B 3 -14.375 0.495 5.254 1.00 0.00 H new ATOM 531 N PRO B 4 -14.313 1.328 10.759 1.00 0.00 N ATOM 532 CA PRO B 4 -13.447 1.714 11.849 1.00 0.00 C ATOM 533 C PRO B 4 -12.091 1.079 11.826 1.00 0.00 C ATOM 534 O PRO B 4 -11.917 -0.089 11.471 1.00 0.00 O ATOM 535 CB PRO B 4 -14.247 1.308 13.027 1.00 0.00 C ATOM 536 CG PRO B 4 -15.601 1.589 12.577 1.00 0.00 C ATOM 537 CD PRO B 4 -15.636 0.973 11.264 1.00 0.00 C ATOM 0 HA PRO B 4 -13.190 2.773 11.821 1.00 0.00 H new ATOM 0 HB2 PRO B 4 -14.108 0.255 13.273 1.00 0.00 H new ATOM 0 HB3 PRO B 4 -13.985 1.880 13.917 1.00 0.00 H new ATOM 0 HG2 PRO B 4 -16.347 1.159 13.246 1.00 0.00 H new ATOM 0 HG3 PRO B 4 -15.797 2.660 12.527 1.00 0.00 H new ATOM 0 HD2 PRO B 4 -15.782 -0.106 11.318 1.00 0.00 H new ATOM 0 HD3 PRO B 4 -16.437 1.372 10.641 1.00 0.00 H new ATOM 545 N GLY B 5 -11.135 1.896 12.210 1.00 0.00 N ATOM 546 CA GLY B 5 -9.764 1.485 12.249 1.00 0.00 C ATOM 547 C GLY B 5 -9.111 1.332 10.874 1.00 0.00 C ATOM 548 O GLY B 5 -7.884 1.320 10.784 1.00 0.00 O ATOM 0 H GLY B 5 -11.294 2.860 12.502 1.00 0.00 H new ATOM 0 HA2 GLY B 5 -9.196 2.212 12.829 1.00 0.00 H new ATOM 0 HA3 GLY B 5 -9.697 0.534 12.777 1.00 0.00 H new ATOM 552 N TRP B 6 -9.910 1.208 9.800 1.00 0.00 N ATOM 553 CA TRP B 6 -9.365 1.037 8.456 1.00 0.00 C ATOM 554 C TRP B 6 -8.821 2.336 7.890 1.00 0.00 C ATOM 555 O TRP B 6 -9.298 3.428 8.205 1.00 0.00 O ATOM 556 CB TRP B 6 -10.439 0.528 7.497 1.00 0.00 C ATOM 557 CG TRP B 6 -10.645 -0.935 7.451 1.00 0.00 C ATOM 558 CD1 TRP B 6 -11.811 -1.539 7.662 1.00 0.00 C ATOM 559 CD2 TRP B 6 -9.730 -1.953 7.119 1.00 0.00 C ATOM 560 NE1 TRP B 6 -11.692 -2.889 7.575 1.00 0.00 N ATOM 561 CE2 TRP B 6 -10.414 -3.179 7.220 1.00 0.00 C ATOM 562 CE3 TRP B 6 -8.405 -1.965 6.765 1.00 0.00 C ATOM 563 CZ2 TRP B 6 -9.786 -4.392 6.964 1.00 0.00 C ATOM 564 CZ3 TRP B 6 -7.792 -3.157 6.512 1.00 0.00 C ATOM 565 CH2 TRP B 6 -8.464 -4.344 6.609 1.00 0.00 C ATOM 0 H TRP B 6 -10.929 1.224 9.843 1.00 0.00 H new ATOM 0 HA TRP B 6 -8.554 0.314 8.547 1.00 0.00 H new ATOM 0 HB2 TRP B 6 -11.386 0.997 7.765 1.00 0.00 H new ATOM 0 HB3 TRP B 6 -10.188 0.869 6.492 1.00 0.00 H new ATOM 0 HD1 TRP B 6 -12.735 -1.022 7.875 1.00 0.00 H new ATOM 0 HE1 TRP B 6 -12.434 -3.567 7.747 1.00 0.00 H new ATOM 0 HE3 TRP B 6 -7.853 -1.040 6.687 1.00 0.00 H new ATOM 0 HZ2 TRP B 6 -10.316 -5.330 7.041 1.00 0.00 H new ATOM 0 HZ3 TRP B 6 -6.750 -3.163 6.228 1.00 0.00 H new ATOM 0 HH2 TRP B 6 -7.940 -5.265 6.401 1.00 0.00 H new ATOM 576 N GLU B 7 -7.849 2.186 7.009 1.00 0.00 N ATOM 577 CA GLU B 7 -7.237 3.306 6.316 1.00 0.00 C ATOM 578 C GLU B 7 -6.531 2.792 5.070 1.00 0.00 C ATOM 579 O GLU B 7 -5.679 1.904 5.150 1.00 0.00 O ATOM 580 CB GLU B 7 -6.265 4.074 7.224 1.00 0.00 C ATOM 581 CG GLU B 7 -5.197 3.207 7.883 1.00 0.00 C ATOM 582 CD GLU B 7 -3.993 4.009 8.340 1.00 0.00 C ATOM 583 OE1 GLU B 7 -4.161 4.894 9.205 1.00 0.00 O ATOM 584 OE2 GLU B 7 -2.881 3.749 7.835 1.00 0.00 O ATOM 0 H GLU B 7 -7.459 1.279 6.752 1.00 0.00 H new ATOM 0 HA GLU B 7 -8.018 4.010 6.028 1.00 0.00 H new ATOM 0 HB2 GLU B 7 -5.774 4.849 6.636 1.00 0.00 H new ATOM 0 HB3 GLU B 7 -6.837 4.579 8.003 1.00 0.00 H new ATOM 0 HG2 GLU B 7 -5.631 2.691 8.739 1.00 0.00 H new ATOM 0 HG3 GLU B 7 -4.872 2.440 7.180 1.00 0.00 H new ATOM 591 N LYS B 8 -6.905 3.334 3.917 1.00 0.00 N ATOM 592 CA LYS B 8 -6.318 2.903 2.661 1.00 0.00 C ATOM 593 C LYS B 8 -4.906 3.477 2.521 1.00 0.00 C ATOM 594 O LYS B 8 -4.719 4.695 2.557 1.00 0.00 O ATOM 595 CB LYS B 8 -7.187 3.359 1.460 1.00 0.00 C ATOM 596 CG LYS B 8 -6.837 2.638 0.162 1.00 0.00 C ATOM 597 CD LYS B 8 -7.506 3.288 -1.038 1.00 0.00 C ATOM 598 CE LYS B 8 -7.551 2.342 -2.228 1.00 0.00 C ATOM 599 NZ LYS B 8 -8.119 2.995 -3.441 1.00 0.00 N ATOM 0 H LYS B 8 -7.608 4.068 3.829 1.00 0.00 H new ATOM 0 HA LYS B 8 -6.271 1.814 2.662 1.00 0.00 H new ATOM 0 HB2 LYS B 8 -8.238 3.186 1.693 1.00 0.00 H new ATOM 0 HB3 LYS B 8 -7.064 4.433 1.317 1.00 0.00 H new ATOM 0 HG2 LYS B 8 -5.756 2.642 0.023 1.00 0.00 H new ATOM 0 HG3 LYS B 8 -7.145 1.595 0.230 1.00 0.00 H new ATOM 0 HD2 LYS B 8 -8.519 3.590 -0.773 1.00 0.00 H new ATOM 0 HD3 LYS B 8 -6.965 4.194 -1.312 1.00 0.00 H new ATOM 0 HE2 LYS B 8 -6.544 1.986 -2.446 1.00 0.00 H new ATOM 0 HE3 LYS B 8 -8.150 1.468 -1.973 1.00 0.00 H new ATOM 0 HZ1 LYS B 8 -8.131 2.315 -4.228 1.00 0.00 H new ATOM 0 HZ2 LYS B 8 -9.089 3.312 -3.242 1.00 0.00 H new ATOM 0 HZ3 LYS B 8 -7.533 3.814 -3.701 1.00 0.00 H new ATOM 613 N ARG B 9 -3.920 2.597 2.364 1.00 0.00 N ATOM 614 CA ARG B 9 -2.523 3.019 2.222 1.00 0.00 C ATOM 615 C ARG B 9 -1.890 2.405 0.977 1.00 0.00 C ATOM 616 O ARG B 9 -2.238 1.291 0.586 1.00 0.00 O ATOM 617 CB ARG B 9 -1.716 2.622 3.463 1.00 0.00 C ATOM 618 CG ARG B 9 -2.240 3.223 4.760 1.00 0.00 C ATOM 619 CD ARG B 9 -2.215 4.746 4.734 1.00 0.00 C ATOM 620 NE ARG B 9 -1.014 5.275 4.177 1.00 0.00 N ATOM 621 CZ ARG B 9 0.066 5.538 4.879 1.00 0.00 C ATOM 622 NH1 ARG B 9 0.223 5.100 6.126 1.00 0.00 N ATOM 623 NH2 ARG B 9 0.983 6.242 4.299 1.00 0.00 N ATOM 0 H ARG B 9 -4.059 1.587 2.332 1.00 0.00 H new ATOM 0 HA ARG B 9 -2.510 4.104 2.119 1.00 0.00 H new ATOM 0 HB2 ARG B 9 -1.716 1.536 3.552 1.00 0.00 H new ATOM 0 HB3 ARG B 9 -0.680 2.930 3.324 1.00 0.00 H new ATOM 0 HG2 ARG B 9 -3.260 2.880 4.932 1.00 0.00 H new ATOM 0 HG3 ARG B 9 -1.638 2.865 5.595 1.00 0.00 H new ATOM 0 HD2 ARG B 9 -3.066 5.108 4.157 1.00 0.00 H new ATOM 0 HD3 ARG B 9 -2.335 5.123 5.750 1.00 0.00 H new ATOM 0 HE ARG B 9 -0.991 5.460 3.174 1.00 0.00 H new ATOM 0 HH11 ARG B 9 -0.508 4.541 6.566 1.00 0.00 H new ATOM 0 HH12 ARG B 9 1.074 5.323 6.641 1.00 0.00 H new ATOM 0 HH21 ARG B 9 0.848 6.565 3.341 1.00 0.00 H new ATOM 0 HH22 ARG B 9 1.841 6.474 4.800 1.00 0.00 H new ATOM 637 N CYS B 10 -0.956 3.134 0.355 1.00 0.00 N ATOM 638 CA CYS B 10 -0.284 2.640 -0.850 1.00 0.00 C ATOM 639 C CYS B 10 1.221 2.877 -0.808 1.00 0.00 C ATOM 640 O CYS B 10 1.682 4.019 -0.859 1.00 0.00 O ATOM 641 CB CYS B 10 -0.861 3.296 -2.111 1.00 0.00 C ATOM 642 SG CYS B 10 -2.681 3.379 -2.158 1.00 0.00 S ATOM 0 H CYS B 10 -0.652 4.058 0.663 1.00 0.00 H new ATOM 0 HA CYS B 10 -0.462 1.565 -0.882 1.00 0.00 H new ATOM 0 HB2 CYS B 10 -0.462 4.307 -2.194 1.00 0.00 H new ATOM 0 HB3 CYS B 10 -0.513 2.744 -2.984 1.00 0.00 H new ATOM 0 HG CYS B 10 -3.130 2.550 -3.053 1.00 0.00 H new ATOM 647 N PHE B 11 1.985 1.783 -0.753 1.00 0.00 N ATOM 648 CA PHE B 11 3.440 1.867 -0.749 1.00 0.00 C ATOM 649 C PHE B 11 4.005 1.247 -2.028 1.00 0.00 C ATOM 650 O PHE B 11 3.582 0.164 -2.444 1.00 0.00 O ATOM 651 CB PHE B 11 4.052 1.161 0.481 1.00 0.00 C ATOM 652 CG PHE B 11 3.984 -0.338 0.423 1.00 0.00 C ATOM 653 CD1 PHE B 11 4.953 -1.055 -0.276 1.00 0.00 C ATOM 654 CD2 PHE B 11 2.966 -1.035 1.067 1.00 0.00 C ATOM 655 CE1 PHE B 11 4.907 -2.442 -0.331 1.00 0.00 C ATOM 656 CE2 PHE B 11 2.914 -2.423 1.014 1.00 0.00 C ATOM 657 CZ PHE B 11 3.886 -3.127 0.314 1.00 0.00 C ATOM 0 H PHE B 11 1.617 0.833 -0.711 1.00 0.00 H new ATOM 0 HA PHE B 11 3.707 2.923 -0.700 1.00 0.00 H new ATOM 0 HB2 PHE B 11 5.095 1.463 0.579 1.00 0.00 H new ATOM 0 HB3 PHE B 11 3.535 1.503 1.378 1.00 0.00 H new ATOM 0 HD1 PHE B 11 5.748 -0.526 -0.780 1.00 0.00 H new ATOM 0 HD2 PHE B 11 2.209 -0.492 1.613 1.00 0.00 H new ATOM 0 HE1 PHE B 11 5.664 -2.987 -0.875 1.00 0.00 H new ATOM 0 HE2 PHE B 11 2.119 -2.954 1.516 1.00 0.00 H new ATOM 0 HZ PHE B 11 3.847 -4.205 0.272 1.00 0.00 H new ATOM 667 N TYR B 12 4.983 1.915 -2.626 1.00 0.00 N ATOM 668 CA TYR B 12 5.638 1.407 -3.819 1.00 0.00 C ATOM 669 C TYR B 12 6.685 0.397 -3.385 1.00 0.00 C ATOM 670 O TYR B 12 7.324 0.588 -2.350 1.00 0.00 O ATOM 671 CB TYR B 12 6.309 2.542 -4.611 1.00 0.00 C ATOM 672 CG TYR B 12 5.372 3.139 -5.637 1.00 0.00 C ATOM 673 CD1 TYR B 12 5.286 2.616 -6.925 1.00 0.00 C ATOM 674 CD2 TYR B 12 4.540 4.218 -5.317 1.00 0.00 C ATOM 675 CE1 TYR B 12 4.423 3.139 -7.840 1.00 0.00 C ATOM 676 CE2 TYR B 12 3.675 4.757 -6.233 1.00 0.00 C ATOM 677 CZ TYR B 12 3.611 4.216 -7.507 1.00 0.00 C ATOM 678 OH TYR B 12 2.736 4.739 -8.435 1.00 0.00 O ATOM 0 H TYR B 12 5.340 2.814 -2.301 1.00 0.00 H new ATOM 0 HA TYR B 12 4.897 0.943 -4.469 1.00 0.00 H new ATOM 0 HB2 TYR B 12 6.638 3.320 -3.923 1.00 0.00 H new ATOM 0 HB3 TYR B 12 7.200 2.160 -5.110 1.00 0.00 H new ATOM 0 HD1 TYR B 12 5.914 1.782 -7.203 1.00 0.00 H new ATOM 0 HD2 TYR B 12 4.581 4.637 -4.322 1.00 0.00 H new ATOM 0 HE1 TYR B 12 4.370 2.713 -8.831 1.00 0.00 H new ATOM 0 HE2 TYR B 12 3.049 5.595 -5.965 1.00 0.00 H new ATOM 0 HH TYR B 12 2.244 5.487 -8.036 1.00 0.00 H new ATOM 688 N PHE B 13 6.873 -0.663 -4.156 1.00 0.00 N ATOM 689 CA PHE B 13 7.885 -1.663 -3.814 1.00 0.00 C ATOM 690 C PHE B 13 8.770 -1.932 -5.004 1.00 0.00 C ATOM 691 O PHE B 13 8.316 -2.460 -6.021 1.00 0.00 O ATOM 692 CB PHE B 13 7.266 -2.974 -3.363 1.00 0.00 C ATOM 693 CG PHE B 13 8.229 -3.813 -2.573 1.00 0.00 C ATOM 694 CD1 PHE B 13 8.325 -3.646 -1.202 1.00 0.00 C ATOM 695 CD2 PHE B 13 9.037 -4.774 -3.191 1.00 0.00 C ATOM 696 CE1 PHE B 13 9.190 -4.418 -0.452 1.00 0.00 C ATOM 697 CE2 PHE B 13 9.906 -5.551 -2.451 1.00 0.00 C ATOM 698 CZ PHE B 13 9.981 -5.381 -1.073 1.00 0.00 C ATOM 0 H PHE B 13 6.350 -0.856 -5.010 1.00 0.00 H new ATOM 0 HA PHE B 13 8.468 -1.255 -2.988 1.00 0.00 H new ATOM 0 HB2 PHE B 13 6.384 -2.768 -2.757 1.00 0.00 H new ATOM 0 HB3 PHE B 13 6.929 -3.534 -4.235 1.00 0.00 H new ATOM 0 HD1 PHE B 13 7.715 -2.902 -0.712 1.00 0.00 H new ATOM 0 HD2 PHE B 13 8.980 -4.910 -4.261 1.00 0.00 H new ATOM 0 HE1 PHE B 13 9.253 -4.275 0.617 1.00 0.00 H new ATOM 0 HE2 PHE B 13 10.525 -6.288 -2.941 1.00 0.00 H new ATOM 0 HZ PHE B 13 10.650 -5.993 -0.487 1.00 0.00 H new ATOM 708 N ASN B 14 10.038 -1.594 -4.866 1.00 0.00 N ATOM 709 CA ASN B 14 10.981 -1.828 -5.921 1.00 0.00 C ATOM 710 C ASN B 14 11.702 -3.115 -5.634 1.00 0.00 C ATOM 711 O ASN B 14 12.777 -3.092 -5.058 1.00 0.00 O ATOM 712 CB ASN B 14 12.008 -0.704 -6.084 1.00 0.00 C ATOM 713 CG ASN B 14 12.475 -0.081 -4.797 1.00 0.00 C ATOM 714 OD1 ASN B 14 11.945 -0.361 -3.741 1.00 0.00 O ATOM 715 ND2 ASN B 14 13.470 0.796 -4.894 1.00 0.00 N ATOM 0 H ASN B 14 10.430 -1.158 -4.031 1.00 0.00 H new ATOM 0 HA ASN B 14 10.420 -1.874 -6.854 1.00 0.00 H new ATOM 0 HB2 ASN B 14 12.874 -1.098 -6.615 1.00 0.00 H new ATOM 0 HB3 ASN B 14 11.576 0.075 -6.712 1.00 0.00 H new ATOM 0 HD21 ASN B 14 13.819 1.266 -4.059 1.00 0.00 H new ATOM 0 HD22 ASN B 14 13.884 0.999 -5.804 1.00 0.00 H new ATOM 722 N ARG B 15 11.093 -4.234 -5.997 1.00 0.00 N ATOM 723 CA ARG B 15 11.670 -5.541 -5.731 1.00 0.00 C ATOM 724 C ARG B 15 13.156 -5.641 -6.127 1.00 0.00 C ATOM 725 O ARG B 15 13.842 -6.553 -5.659 1.00 0.00 O ATOM 726 CB ARG B 15 10.817 -6.646 -6.358 1.00 0.00 C ATOM 727 CG ARG B 15 11.583 -7.911 -6.692 1.00 0.00 C ATOM 728 CD ARG B 15 10.659 -9.117 -6.799 1.00 0.00 C ATOM 729 NE ARG B 15 10.297 -9.649 -5.484 1.00 0.00 N ATOM 730 CZ ARG B 15 11.048 -10.509 -4.788 1.00 0.00 C ATOM 731 NH1 ARG B 15 12.211 -10.940 -5.272 1.00 0.00 N ATOM 732 NH2 ARG B 15 10.634 -10.937 -3.600 1.00 0.00 N ATOM 0 H ARG B 15 10.195 -4.261 -6.479 1.00 0.00 H new ATOM 0 HA ARG B 15 11.658 -5.684 -4.650 1.00 0.00 H new ATOM 0 HB2 ARG B 15 10.006 -6.896 -5.673 1.00 0.00 H new ATOM 0 HB3 ARG B 15 10.358 -6.262 -7.269 1.00 0.00 H new ATOM 0 HG2 ARG B 15 12.116 -7.776 -7.633 1.00 0.00 H new ATOM 0 HG3 ARG B 15 12.334 -8.095 -5.924 1.00 0.00 H new ATOM 0 HD2 ARG B 15 9.754 -8.834 -7.337 1.00 0.00 H new ATOM 0 HD3 ARG B 15 11.147 -9.897 -7.384 1.00 0.00 H new ATOM 0 HE ARG B 15 9.415 -9.344 -5.072 1.00 0.00 H new ATOM 0 HH11 ARG B 15 12.537 -10.614 -6.182 1.00 0.00 H new ATOM 0 HH12 ARG B 15 12.776 -11.596 -4.733 1.00 0.00 H new ATOM 0 HH21 ARG B 15 9.745 -10.610 -3.221 1.00 0.00 H new ATOM 0 HH22 ARG B 15 11.205 -11.593 -3.067 1.00 0.00 H new ATOM 746 N ILE B 16 13.695 -4.682 -6.910 1.00 0.00 N ATOM 747 CA ILE B 16 15.076 -4.692 -7.227 1.00 0.00 C ATOM 748 C ILE B 16 15.855 -4.440 -5.966 1.00 0.00 C ATOM 749 O ILE B 16 16.721 -5.216 -5.559 1.00 0.00 O ATOM 750 CB ILE B 16 15.386 -3.601 -8.201 1.00 0.00 C ATOM 751 CG1 ILE B 16 14.876 -3.957 -9.589 1.00 0.00 C ATOM 752 CG2 ILE B 16 16.865 -3.411 -8.169 1.00 0.00 C ATOM 753 CD1 ILE B 16 14.189 -5.303 -9.742 1.00 0.00 C ATOM 0 H ILE B 16 13.169 -3.908 -7.316 1.00 0.00 H new ATOM 0 HA ILE B 16 15.341 -5.655 -7.664 1.00 0.00 H new ATOM 0 HB ILE B 16 14.886 -2.670 -7.934 1.00 0.00 H new ATOM 0 HG12 ILE B 16 14.178 -3.181 -9.903 1.00 0.00 H new ATOM 0 HG13 ILE B 16 15.719 -3.926 -10.279 1.00 0.00 H new ATOM 0 HG21 ILE B 16 17.146 -2.621 -8.866 1.00 0.00 H new ATOM 0 HG22 ILE B 16 17.174 -3.133 -7.162 1.00 0.00 H new ATOM 0 HG23 ILE B 16 17.357 -4.340 -8.456 1.00 0.00 H new ATOM 0 HD11 ILE B 16 13.873 -5.435 -10.777 1.00 0.00 H new ATOM 0 HD12 ILE B 16 14.883 -6.099 -9.470 1.00 0.00 H new ATOM 0 HD13 ILE B 16 13.317 -5.343 -9.089 1.00 0.00 H new ATOM 765 N THR B 17 15.472 -3.345 -5.342 1.00 0.00 N ATOM 766 CA THR B 17 16.031 -2.923 -4.097 1.00 0.00 C ATOM 767 C THR B 17 15.069 -3.281 -2.996 1.00 0.00 C ATOM 768 O THR B 17 15.151 -2.758 -1.883 1.00 0.00 O ATOM 769 CB THR B 17 16.331 -1.439 -4.175 1.00 0.00 C ATOM 770 OG1 THR B 17 15.219 -0.661 -3.781 1.00 0.00 O ATOM 771 CG2 THR B 17 16.746 -1.071 -5.578 1.00 0.00 C ATOM 0 H THR B 17 14.750 -2.720 -5.701 1.00 0.00 H new ATOM 0 HA THR B 17 16.973 -3.427 -3.880 1.00 0.00 H new ATOM 0 HB THR B 17 17.148 -1.227 -3.485 1.00 0.00 H new ATOM 0 HG1 THR B 17 15.505 0.264 -3.626 1.00 0.00 H new ATOM 0 HG21 THR B 17 16.960 -0.003 -5.626 1.00 0.00 H new ATOM 0 HG22 THR B 17 17.639 -1.633 -5.852 1.00 0.00 H new ATOM 0 HG23 THR B 17 15.939 -1.311 -6.271 1.00 0.00 H new ATOM 779 N GLY B 18 14.120 -4.159 -3.379 1.00 0.00 N ATOM 780 CA GLY B 18 13.033 -4.585 -2.523 1.00 0.00 C ATOM 781 C GLY B 18 12.643 -3.512 -1.542 1.00 0.00 C ATOM 782 O GLY B 18 12.253 -3.799 -0.410 1.00 0.00 O ATOM 0 H GLY B 18 14.101 -4.587 -4.304 1.00 0.00 H new ATOM 0 HA2 GLY B 18 12.170 -4.850 -3.135 1.00 0.00 H new ATOM 0 HA3 GLY B 18 13.327 -5.484 -1.981 1.00 0.00 H new ATOM 786 N LYS B 19 12.794 -2.257 -1.974 1.00 0.00 N ATOM 787 CA LYS B 19 12.501 -1.131 -1.131 1.00 0.00 C ATOM 788 C LYS B 19 11.043 -0.754 -1.142 1.00 0.00 C ATOM 789 O LYS B 19 10.299 -1.085 -2.062 1.00 0.00 O ATOM 790 CB LYS B 19 13.319 0.051 -1.566 1.00 0.00 C ATOM 791 CG LYS B 19 14.609 0.145 -0.834 1.00 0.00 C ATOM 792 CD LYS B 19 15.256 1.511 -0.991 1.00 0.00 C ATOM 793 CE LYS B 19 16.311 1.752 0.078 1.00 0.00 C ATOM 794 NZ LYS B 19 17.639 2.081 -0.513 1.00 0.00 N ATOM 0 H LYS B 19 13.120 -2.011 -2.909 1.00 0.00 H new ATOM 0 HA LYS B 19 12.754 -1.424 -0.112 1.00 0.00 H new ATOM 0 HB2 LYS B 19 13.515 -0.020 -2.636 1.00 0.00 H new ATOM 0 HB3 LYS B 19 12.746 0.965 -1.407 1.00 0.00 H new ATOM 0 HG2 LYS B 19 14.441 -0.057 0.224 1.00 0.00 H new ATOM 0 HG3 LYS B 19 15.290 -0.623 -1.201 1.00 0.00 H new ATOM 0 HD2 LYS B 19 15.712 1.588 -1.978 1.00 0.00 H new ATOM 0 HD3 LYS B 19 14.492 2.286 -0.931 1.00 0.00 H new ATOM 0 HE2 LYS B 19 15.991 2.568 0.726 1.00 0.00 H new ATOM 0 HE3 LYS B 19 16.402 0.864 0.704 1.00 0.00 H new ATOM 0 HZ1 LYS B 19 18.329 2.238 0.249 1.00 0.00 H new ATOM 0 HZ2 LYS B 19 17.958 1.292 -1.112 1.00 0.00 H new ATOM 0 HZ3 LYS B 19 17.558 2.943 -1.090 1.00 0.00 H new ATOM 808 N ARG B 20 10.652 -0.039 -0.111 1.00 0.00 N ATOM 809 CA ARG B 20 9.292 0.423 0.000 1.00 0.00 C ATOM 810 C ARG B 20 9.216 1.878 0.370 1.00 0.00 C ATOM 811 O ARG B 20 9.985 2.380 1.193 1.00 0.00 O ATOM 812 CB ARG B 20 8.511 -0.390 1.006 1.00 0.00 C ATOM 813 CG ARG B 20 8.900 -0.136 2.457 1.00 0.00 C ATOM 814 CD ARG B 20 7.828 -0.628 3.419 1.00 0.00 C ATOM 815 NE ARG B 20 7.548 -2.056 3.256 1.00 0.00 N ATOM 816 CZ ARG B 20 6.990 -2.822 4.197 1.00 0.00 C ATOM 817 NH1 ARG B 20 6.655 -2.308 5.378 1.00 0.00 N ATOM 818 NH2 ARG B 20 6.768 -4.110 3.955 1.00 0.00 N ATOM 0 H ARG B 20 11.259 0.234 0.662 1.00 0.00 H new ATOM 0 HA ARG B 20 8.847 0.294 -0.987 1.00 0.00 H new ATOM 0 HB2 ARG B 20 7.450 -0.174 0.884 1.00 0.00 H new ATOM 0 HB3 ARG B 20 8.649 -1.449 0.785 1.00 0.00 H new ATOM 0 HG2 ARG B 20 9.843 -0.638 2.675 1.00 0.00 H new ATOM 0 HG3 ARG B 20 9.064 0.931 2.609 1.00 0.00 H new ATOM 0 HD2 ARG B 20 8.147 -0.437 4.444 1.00 0.00 H new ATOM 0 HD3 ARG B 20 6.912 -0.060 3.260 1.00 0.00 H new ATOM 0 HE ARG B 20 7.795 -2.493 2.368 1.00 0.00 H new ATOM 0 HH11 ARG B 20 6.824 -1.321 5.571 1.00 0.00 H new ATOM 0 HH12 ARG B 20 6.229 -2.901 6.090 1.00 0.00 H new ATOM 0 HH21 ARG B 20 7.024 -4.511 3.053 1.00 0.00 H new ATOM 0 HH22 ARG B 20 6.342 -4.698 4.672 1.00 0.00 H new ATOM 832 N GLN B 21 8.269 2.542 -0.252 1.00 0.00 N ATOM 833 CA GLN B 21 8.042 3.942 -0.020 1.00 0.00 C ATOM 834 C GLN B 21 6.590 4.266 -0.296 1.00 0.00 C ATOM 835 O GLN B 21 6.002 3.704 -1.213 1.00 0.00 O ATOM 836 CB GLN B 21 8.922 4.774 -0.925 1.00 0.00 C ATOM 837 CG GLN B 21 9.716 3.961 -1.907 1.00 0.00 C ATOM 838 CD GLN B 21 10.765 4.761 -2.630 1.00 0.00 C ATOM 839 OE1 GLN B 21 11.963 4.574 -2.415 1.00 0.00 O ATOM 840 NE2 GLN B 21 10.329 5.657 -3.488 1.00 0.00 N ATOM 0 H GLN B 21 7.636 2.122 -0.933 1.00 0.00 H new ATOM 0 HA GLN B 21 8.284 4.173 1.017 1.00 0.00 H new ATOM 0 HB2 GLN B 21 8.299 5.482 -1.472 1.00 0.00 H new ATOM 0 HB3 GLN B 21 9.608 5.359 -0.313 1.00 0.00 H new ATOM 0 HG2 GLN B 21 10.196 3.136 -1.381 1.00 0.00 H new ATOM 0 HG3 GLN B 21 9.037 3.521 -2.637 1.00 0.00 H new ATOM 0 HE21 GLN B 21 9.327 5.778 -3.634 1.00 0.00 H new ATOM 0 HE22 GLN B 21 10.993 6.231 -4.007 1.00 0.00 H new ATOM 849 N PHE B 22 6.016 5.200 0.442 1.00 0.00 N ATOM 850 CA PHE B 22 4.630 5.599 0.188 1.00 0.00 C ATOM 851 C PHE B 22 4.613 6.627 -0.953 1.00 0.00 C ATOM 852 O PHE B 22 3.895 7.629 -0.908 1.00 0.00 O ATOM 853 CB PHE B 22 4.015 6.210 1.441 1.00 0.00 C ATOM 854 CG PHE B 22 3.635 5.197 2.487 1.00 0.00 C ATOM 855 CD1 PHE B 22 2.593 4.300 2.264 1.00 0.00 C ATOM 856 CD2 PHE B 22 4.318 5.135 3.699 1.00 0.00 C ATOM 857 CE1 PHE B 22 2.243 3.369 3.222 1.00 0.00 C ATOM 858 CE2 PHE B 22 3.971 4.205 4.659 1.00 0.00 C ATOM 859 CZ PHE B 22 2.934 3.324 4.418 1.00 0.00 C ATOM 0 H PHE B 22 6.472 5.693 1.210 1.00 0.00 H new ATOM 0 HA PHE B 22 4.046 4.722 -0.090 1.00 0.00 H new ATOM 0 HB2 PHE B 22 4.722 6.917 1.874 1.00 0.00 H new ATOM 0 HB3 PHE B 22 3.128 6.778 1.159 1.00 0.00 H new ATOM 0 HD1 PHE B 22 2.052 4.333 1.330 1.00 0.00 H new ATOM 0 HD2 PHE B 22 5.129 5.822 3.890 1.00 0.00 H new ATOM 0 HE1 PHE B 22 1.433 2.679 3.037 1.00 0.00 H new ATOM 0 HE2 PHE B 22 4.508 4.166 5.595 1.00 0.00 H new ATOM 0 HZ PHE B 22 2.662 2.596 5.168 1.00 0.00 H new ATOM 869 N GLU B 23 5.471 6.382 -1.939 1.00 0.00 N ATOM 870 CA GLU B 23 5.664 7.261 -3.072 1.00 0.00 C ATOM 871 C GLU B 23 5.904 6.533 -4.342 1.00 0.00 C ATOM 872 O GLU B 23 6.531 5.481 -4.350 1.00 0.00 O ATOM 873 CB GLU B 23 6.925 8.079 -2.839 1.00 0.00 C ATOM 874 CG GLU B 23 7.913 8.012 -4.007 1.00 0.00 C ATOM 875 CD GLU B 23 9.198 8.779 -3.752 1.00 0.00 C ATOM 876 OE1 GLU B 23 9.836 8.543 -2.704 1.00 0.00 O ATOM 877 OE2 GLU B 23 9.568 9.614 -4.604 1.00 0.00 O ATOM 0 H GLU B 23 6.059 5.549 -1.967 1.00 0.00 H new ATOM 0 HA GLU B 23 4.754 7.856 -3.157 1.00 0.00 H new ATOM 0 HB2 GLU B 23 6.649 9.119 -2.665 1.00 0.00 H new ATOM 0 HB3 GLU B 23 7.418 7.724 -1.934 1.00 0.00 H new ATOM 0 HG2 GLU B 23 8.155 6.969 -4.210 1.00 0.00 H new ATOM 0 HG3 GLU B 23 7.434 8.408 -4.902 1.00 0.00 H new ATOM 884 N ARG B 24 5.543 7.217 -5.415 1.00 0.00 N ATOM 885 CA ARG B 24 5.835 6.766 -6.734 1.00 0.00 C ATOM 886 C ARG B 24 7.240 7.250 -7.030 1.00 0.00 C ATOM 887 O ARG B 24 7.490 8.440 -7.231 1.00 0.00 O ATOM 888 CB ARG B 24 4.820 7.285 -7.713 1.00 0.00 C ATOM 889 CG ARG B 24 5.103 6.801 -9.096 1.00 0.00 C ATOM 890 CD ARG B 24 4.860 7.870 -10.138 1.00 0.00 C ATOM 891 NE ARG B 24 5.811 7.776 -11.238 1.00 0.00 N ATOM 892 CZ ARG B 24 7.020 8.349 -11.245 1.00 0.00 C ATOM 893 NH1 ARG B 24 7.434 9.070 -10.205 1.00 0.00 N ATOM 894 NH2 ARG B 24 7.818 8.196 -12.296 1.00 0.00 N ATOM 0 H ARG B 24 5.038 8.102 -5.378 1.00 0.00 H new ATOM 0 HA ARG B 24 5.783 5.681 -6.822 1.00 0.00 H new ATOM 0 HB2 ARG B 24 3.823 6.965 -7.410 1.00 0.00 H new ATOM 0 HB3 ARG B 24 4.823 8.375 -7.699 1.00 0.00 H new ATOM 0 HG2 ARG B 24 6.138 6.466 -9.157 1.00 0.00 H new ATOM 0 HG3 ARG B 24 4.475 5.937 -9.312 1.00 0.00 H new ATOM 0 HD2 ARG B 24 3.845 7.777 -10.525 1.00 0.00 H new ATOM 0 HD3 ARG B 24 4.935 8.854 -9.675 1.00 0.00 H new ATOM 0 HE ARG B 24 5.536 7.236 -12.059 1.00 0.00 H new ATOM 0 HH11 ARG B 24 6.828 9.189 -9.393 1.00 0.00 H new ATOM 0 HH12 ARG B 24 8.357 9.503 -10.220 1.00 0.00 H new ATOM 0 HH21 ARG B 24 7.509 7.643 -13.095 1.00 0.00 H new ATOM 0 HH22 ARG B 24 8.740 8.632 -12.304 1.00 0.00 H new ATOM 908 N PRO B 25 8.177 6.311 -6.985 1.00 0.00 N ATOM 909 CA PRO B 25 9.610 6.568 -7.167 1.00 0.00 C ATOM 910 C PRO B 25 9.981 7.015 -8.544 1.00 0.00 C ATOM 911 O PRO B 25 9.331 6.678 -9.536 1.00 0.00 O ATOM 912 CB PRO B 25 10.256 5.250 -6.856 1.00 0.00 C ATOM 913 CG PRO B 25 9.216 4.464 -6.147 1.00 0.00 C ATOM 914 CD PRO B 25 7.913 4.899 -6.716 1.00 0.00 C ATOM 0 HA PRO B 25 9.934 7.388 -6.526 1.00 0.00 H new ATOM 0 HB2 PRO B 25 10.579 4.745 -7.767 1.00 0.00 H new ATOM 0 HB3 PRO B 25 11.141 5.383 -6.234 1.00 0.00 H new ATOM 0 HG2 PRO B 25 9.368 3.395 -6.293 1.00 0.00 H new ATOM 0 HG3 PRO B 25 9.253 4.647 -5.073 1.00 0.00 H new ATOM 0 HD2 PRO B 25 7.655 4.349 -7.621 1.00 0.00 H new ATOM 0 HD3 PRO B 25 7.091 4.761 -6.014 1.00 0.00 H new ATOM 922 N SER B 26 11.041 7.796 -8.581 1.00 0.00 N ATOM 923 CA SER B 26 11.532 8.324 -9.803 1.00 0.00 C ATOM 924 C SER B 26 12.147 7.283 -10.667 1.00 0.00 C ATOM 925 O SER B 26 12.817 6.344 -10.234 1.00 0.00 O ATOM 926 CB SER B 26 12.496 9.456 -9.616 1.00 0.00 C ATOM 927 OG SER B 26 13.779 8.997 -9.217 1.00 0.00 O ATOM 0 H SER B 26 11.574 8.073 -7.757 1.00 0.00 H new ATOM 0 HA SER B 26 10.649 8.718 -10.306 1.00 0.00 H new ATOM 0 HB2 SER B 26 12.584 10.016 -10.547 1.00 0.00 H new ATOM 0 HB3 SER B 26 12.107 10.144 -8.866 1.00 0.00 H new ATOM 0 HG SER B 26 14.381 9.763 -9.107 1.00 0.00 H new ATOM 933 N ASP B 27 11.867 7.517 -11.899 1.00 0.00 N ATOM 934 CA ASP B 27 12.277 6.707 -13.004 1.00 0.00 C ATOM 935 C ASP B 27 13.785 6.428 -13.013 1.00 0.00 C ATOM 936 O ASP B 27 14.565 7.342 -12.664 1.00 0.00 O ATOM 937 CB ASP B 27 11.808 7.397 -14.264 1.00 0.00 C ATOM 938 CG ASP B 27 12.931 7.864 -15.175 1.00 0.00 C ATOM 939 OD1 ASP B 27 13.356 7.076 -16.046 1.00 0.00 O ATOM 940 OD2 ASP B 27 13.384 9.017 -15.016 1.00 0.00 O ATOM 941 OXT ASP B 27 14.170 5.295 -13.371 1.00 0.00 O ATOM 0 H ASP B 27 11.314 8.324 -12.186 1.00 0.00 H new ATOM 0 HA ASP B 27 11.823 5.719 -12.925 1.00 0.00 H new ATOM 0 HB2 ASP B 27 11.164 6.715 -14.820 1.00 0.00 H new ATOM 0 HB3 ASP B 27 11.198 8.257 -13.988 1.00 0.00 H new TER 946 ASP B 27