USER MOD reduce.3.24.130724 H: found=0, std=0, add=470, rem=0, adj=15 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= -1.3 K(o=-2.6,f=-3.6) USER MOD Set 1.2: B 17 THR OG1 : rot -103:sc= -1.31 USER MOD Set 2.1: A 19 LYS NZ :NH3+ -156:sc= 0.0236 (180deg=0) USER MOD Set 2.2: A 21 GLN : amide:sc= -0.998 X(o=-0.97,f=-0.68) USER MOD Set 3.1: A 14 ASN : amide:sc= -3.55! K(o=-8.5!,f=-9.6) USER MOD Set 3.2: A 17 THR OG1 : rot -151:sc= -4.93! USER MOD Set 4.1: A 10 CYS SG : rot 162:sc= -12! USER MOD Set 4.2: B 8 LYS NZ :NH3+ 146:sc= 0.0598 (180deg=0) USER MOD Set 4.3: B 10 CYS SG : rot -12:sc= -9.64! USER MOD Single : A 1 LYS N :NH3+ -128:sc= -0.0253 (180deg=-0.955) USER MOD Single : A 1 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0502) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 TYR OH : rot -15:sc= -0.832 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : B 1 LYS N :NH3+ -114:sc= 0.0882 (180deg=0) USER MOD Single : B 1 LYS NZ :NH3+ 155:sc= 0.763 (180deg=0.35) USER MOD Single : B 12 TYR OH : rot 180:sc= -0.0153 USER MOD Single : B 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 21 GLN :FLIP amide:sc= -3.27 F(o=-5.5!,f=-3.3) USER MOD Single : B 26 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 5.355 4.251 -16.333 1.00 0.00 N ATOM 2 CA LYS A 1 5.314 4.274 -14.839 1.00 0.00 C ATOM 3 C LYS A 1 6.719 4.122 -14.247 1.00 0.00 C ATOM 4 O LYS A 1 7.682 3.874 -14.975 1.00 0.00 O ATOM 5 CB LYS A 1 4.414 3.116 -14.340 1.00 0.00 C ATOM 6 CG LYS A 1 2.930 3.447 -14.110 1.00 0.00 C ATOM 7 CD LYS A 1 2.224 3.918 -15.379 1.00 0.00 C ATOM 8 CE LYS A 1 0.818 3.357 -15.474 1.00 0.00 C ATOM 9 NZ LYS A 1 -0.022 3.740 -14.303 1.00 0.00 N ATOM 0 H1 LYS A 1 4.852 5.081 -16.707 1.00 0.00 H new ATOM 0 H2 LYS A 1 6.344 4.272 -16.654 1.00 0.00 H new ATOM 0 H3 LYS A 1 4.897 3.384 -16.680 1.00 0.00 H new ATOM 0 HA LYS A 1 4.910 5.233 -14.515 1.00 0.00 H new ATOM 0 HB2 LYS A 1 4.473 2.303 -15.063 1.00 0.00 H new ATOM 0 HB3 LYS A 1 4.828 2.741 -13.404 1.00 0.00 H new ATOM 0 HG2 LYS A 1 2.421 2.564 -13.724 1.00 0.00 H new ATOM 0 HG3 LYS A 1 2.849 4.221 -13.347 1.00 0.00 H new ATOM 0 HD2 LYS A 1 2.184 5.007 -15.391 1.00 0.00 H new ATOM 0 HD3 LYS A 1 2.799 3.610 -16.252 1.00 0.00 H new ATOM 0 HE2 LYS A 1 0.347 3.715 -16.389 1.00 0.00 H new ATOM 0 HE3 LYS A 1 0.866 2.270 -15.544 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 -0.996 3.407 -14.451 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 0.365 3.306 -13.441 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 -0.022 4.775 -14.199 1.00 0.00 H new ATOM 25 N LEU A 2 6.819 4.292 -12.922 1.00 0.00 N ATOM 26 CA LEU A 2 8.076 4.192 -12.199 1.00 0.00 C ATOM 27 C LEU A 2 8.994 3.034 -12.671 1.00 0.00 C ATOM 28 O LEU A 2 8.596 2.111 -13.384 1.00 0.00 O ATOM 29 CB LEU A 2 7.805 4.128 -10.690 1.00 0.00 C ATOM 30 CG LEU A 2 7.373 2.787 -10.193 1.00 0.00 C ATOM 31 CD1 LEU A 2 6.833 2.863 -8.818 1.00 0.00 C ATOM 32 CD2 LEU A 2 6.319 2.269 -11.064 1.00 0.00 C ATOM 0 H LEU A 2 6.019 4.504 -12.325 1.00 0.00 H new ATOM 0 HA LEU A 2 8.641 5.096 -12.427 1.00 0.00 H new ATOM 0 HB2 LEU A 2 8.710 4.424 -10.159 1.00 0.00 H new ATOM 0 HB3 LEU A 2 7.035 4.859 -10.441 1.00 0.00 H new ATOM 0 HG LEU A 2 8.246 2.135 -10.194 1.00 0.00 H new ATOM 0 HD11 LEU A 2 6.529 1.869 -8.491 1.00 0.00 H new ATOM 0 HD12 LEU A 2 7.601 3.247 -8.146 1.00 0.00 H new ATOM 0 HD13 LEU A 2 5.971 3.529 -8.802 1.00 0.00 H new ATOM 0 HD21 LEU A 2 6.000 1.290 -10.706 1.00 0.00 H new ATOM 0 HD22 LEU A 2 5.471 2.953 -11.055 1.00 0.00 H new ATOM 0 HD23 LEU A 2 6.700 2.177 -12.081 1.00 0.00 H new ATOM 44 N PRO A 3 10.251 3.147 -12.240 1.00 0.00 N ATOM 45 CA PRO A 3 11.381 2.240 -12.519 1.00 0.00 C ATOM 46 C PRO A 3 11.111 0.769 -12.327 1.00 0.00 C ATOM 47 O PRO A 3 10.161 0.362 -11.663 1.00 0.00 O ATOM 48 CB PRO A 3 12.433 2.666 -11.516 1.00 0.00 C ATOM 49 CG PRO A 3 12.111 4.080 -11.211 1.00 0.00 C ATOM 50 CD PRO A 3 10.640 4.246 -11.401 1.00 0.00 C ATOM 0 HA PRO A 3 11.650 2.326 -13.572 1.00 0.00 H new ATOM 0 HB2 PRO A 3 12.397 2.049 -10.618 1.00 0.00 H new ATOM 0 HB3 PRO A 3 13.437 2.569 -11.929 1.00 0.00 H new ATOM 0 HG2 PRO A 3 12.398 4.329 -10.189 1.00 0.00 H new ATOM 0 HG3 PRO A 3 12.663 4.751 -11.869 1.00 0.00 H new ATOM 0 HD2 PRO A 3 10.113 4.221 -10.447 1.00 0.00 H new ATOM 0 HD3 PRO A 3 10.407 5.202 -11.869 1.00 0.00 H new ATOM 58 N PRO A 4 11.999 -0.044 -12.904 1.00 0.00 N ATOM 59 CA PRO A 4 11.965 -1.492 -12.824 1.00 0.00 C ATOM 60 C PRO A 4 11.915 -1.999 -11.426 1.00 0.00 C ATOM 61 O PRO A 4 12.388 -1.357 -10.489 1.00 0.00 O ATOM 62 CB PRO A 4 13.242 -1.871 -13.489 1.00 0.00 C ATOM 63 CG PRO A 4 13.397 -0.819 -14.471 1.00 0.00 C ATOM 64 CD PRO A 4 13.155 0.376 -13.693 1.00 0.00 C ATOM 0 HA PRO A 4 11.073 -1.916 -13.285 1.00 0.00 H new ATOM 0 HB2 PRO A 4 14.075 -1.898 -12.786 1.00 0.00 H new ATOM 0 HB3 PRO A 4 13.183 -2.856 -13.953 1.00 0.00 H new ATOM 0 HG2 PRO A 4 14.393 -0.820 -14.913 1.00 0.00 H new ATOM 0 HG3 PRO A 4 12.685 -0.921 -15.290 1.00 0.00 H new ATOM 0 HD2 PRO A 4 14.007 0.643 -13.068 1.00 0.00 H new ATOM 0 HD3 PRO A 4 12.936 1.241 -14.320 1.00 0.00 H new ATOM 72 N GLY A 5 11.318 -3.155 -11.301 1.00 0.00 N ATOM 73 CA GLY A 5 11.169 -3.761 -10.017 1.00 0.00 C ATOM 74 C GLY A 5 10.075 -3.115 -9.175 1.00 0.00 C ATOM 75 O GLY A 5 9.536 -3.756 -8.273 1.00 0.00 O ATOM 0 H GLY A 5 10.929 -3.691 -12.077 1.00 0.00 H new ATOM 0 HA2 GLY A 5 10.943 -4.820 -10.145 1.00 0.00 H new ATOM 0 HA3 GLY A 5 12.116 -3.700 -9.481 1.00 0.00 H new ATOM 79 N TRP A 6 9.737 -1.846 -9.464 1.00 0.00 N ATOM 80 CA TRP A 6 8.713 -1.144 -8.723 1.00 0.00 C ATOM 81 C TRP A 6 7.342 -1.640 -9.106 1.00 0.00 C ATOM 82 O TRP A 6 7.095 -2.012 -10.256 1.00 0.00 O ATOM 83 CB TRP A 6 8.731 0.351 -9.023 1.00 0.00 C ATOM 84 CG TRP A 6 9.640 1.180 -8.207 1.00 0.00 C ATOM 85 CD1 TRP A 6 10.596 1.959 -8.701 1.00 0.00 C ATOM 86 CD2 TRP A 6 9.644 1.380 -6.811 1.00 0.00 C ATOM 87 NE1 TRP A 6 11.307 2.545 -7.697 1.00 0.00 N ATOM 88 CE2 TRP A 6 10.720 2.214 -6.510 1.00 0.00 C ATOM 89 CE3 TRP A 6 8.872 0.914 -5.793 1.00 0.00 C ATOM 90 CZ2 TRP A 6 11.023 2.578 -5.206 1.00 0.00 C ATOM 91 CZ3 TRP A 6 9.158 1.278 -4.520 1.00 0.00 C ATOM 92 CH2 TRP A 6 10.212 2.085 -4.229 1.00 0.00 C ATOM 0 H TRP A 6 10.167 -1.298 -10.209 1.00 0.00 H new ATOM 0 HA TRP A 6 8.920 -1.326 -7.668 1.00 0.00 H new ATOM 0 HB2 TRP A 6 8.998 0.484 -10.071 1.00 0.00 H new ATOM 0 HB3 TRP A 6 7.718 0.735 -8.900 1.00 0.00 H new ATOM 0 HD1 TRP A 6 10.784 2.108 -9.754 1.00 0.00 H new ATOM 0 HE1 TRP A 6 12.135 3.130 -7.813 1.00 0.00 H new ATOM 0 HE3 TRP A 6 8.038 0.259 -5.998 1.00 0.00 H new ATOM 0 HZ2 TRP A 6 11.860 3.220 -4.977 1.00 0.00 H new ATOM 0 HZ3 TRP A 6 8.533 0.918 -3.716 1.00 0.00 H new ATOM 0 HH2 TRP A 6 10.411 2.341 -3.199 1.00 0.00 H new ATOM 103 N GLU A 7 6.443 -1.578 -8.155 1.00 0.00 N ATOM 104 CA GLU A 7 5.069 -1.951 -8.396 1.00 0.00 C ATOM 105 C GLU A 7 4.179 -1.365 -7.333 1.00 0.00 C ATOM 106 O GLU A 7 4.147 -1.832 -6.192 1.00 0.00 O ATOM 107 CB GLU A 7 4.872 -3.459 -8.481 1.00 0.00 C ATOM 108 CG GLU A 7 5.517 -4.250 -7.348 1.00 0.00 C ATOM 109 CD GLU A 7 4.985 -5.667 -7.249 1.00 0.00 C ATOM 110 OE1 GLU A 7 3.842 -5.841 -6.776 1.00 0.00 O ATOM 111 OE2 GLU A 7 5.712 -6.602 -7.643 1.00 0.00 O ATOM 0 H GLU A 7 6.638 -1.271 -7.202 1.00 0.00 H new ATOM 0 HA GLU A 7 4.794 -1.543 -9.369 1.00 0.00 H new ATOM 0 HB2 GLU A 7 3.803 -3.672 -8.492 1.00 0.00 H new ATOM 0 HB3 GLU A 7 5.277 -3.812 -9.429 1.00 0.00 H new ATOM 0 HG2 GLU A 7 6.596 -4.281 -7.500 1.00 0.00 H new ATOM 0 HG3 GLU A 7 5.342 -3.734 -6.404 1.00 0.00 H new ATOM 118 N LYS A 8 3.466 -0.326 -7.727 1.00 0.00 N ATOM 119 CA LYS A 8 2.559 0.362 -6.821 1.00 0.00 C ATOM 120 C LYS A 8 1.696 -0.676 -6.084 1.00 0.00 C ATOM 121 O LYS A 8 1.083 -1.537 -6.719 1.00 0.00 O ATOM 122 CB LYS A 8 1.625 1.328 -7.600 1.00 0.00 C ATOM 123 CG LYS A 8 0.924 2.346 -6.703 1.00 0.00 C ATOM 124 CD LYS A 8 -0.292 2.949 -7.389 1.00 0.00 C ATOM 125 CE LYS A 8 -1.525 2.074 -7.215 1.00 0.00 C ATOM 126 NZ LYS A 8 -2.263 1.889 -8.495 1.00 0.00 N ATOM 0 H LYS A 8 3.496 0.062 -8.670 1.00 0.00 H new ATOM 0 HA LYS A 8 3.152 0.940 -6.112 1.00 0.00 H new ATOM 0 HB2 LYS A 8 2.209 1.858 -8.352 1.00 0.00 H new ATOM 0 HB3 LYS A 8 0.873 0.745 -8.132 1.00 0.00 H new ATOM 0 HG2 LYS A 8 0.618 1.864 -5.774 1.00 0.00 H new ATOM 0 HG3 LYS A 8 1.623 3.139 -6.435 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -0.488 3.940 -6.979 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -0.084 3.079 -8.451 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -1.227 1.101 -6.825 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -2.188 2.524 -6.476 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -3.095 1.287 -8.332 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -2.570 2.815 -8.855 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -1.639 1.436 -9.193 1.00 0.00 H new ATOM 140 N ARG A 9 1.656 -0.600 -4.757 1.00 0.00 N ATOM 141 CA ARG A 9 0.873 -1.545 -3.957 1.00 0.00 C ATOM 142 C ARG A 9 0.049 -0.807 -2.909 1.00 0.00 C ATOM 143 O ARG A 9 0.349 0.339 -2.583 1.00 0.00 O ATOM 144 CB ARG A 9 1.805 -2.552 -3.276 1.00 0.00 C ATOM 145 CG ARG A 9 1.194 -3.935 -3.102 1.00 0.00 C ATOM 146 CD ARG A 9 1.839 -4.957 -4.028 1.00 0.00 C ATOM 147 NE ARG A 9 3.263 -4.963 -3.948 1.00 0.00 N ATOM 148 CZ ARG A 9 3.945 -5.650 -3.057 1.00 0.00 C ATOM 149 NH1 ARG A 9 3.366 -6.196 -1.990 1.00 0.00 N ATOM 150 NH2 ARG A 9 5.217 -5.770 -3.260 1.00 0.00 N ATOM 0 H ARG A 9 2.154 0.103 -4.211 1.00 0.00 H new ATOM 0 HA ARG A 9 0.192 -2.079 -4.620 1.00 0.00 H new ATOM 0 HB2 ARG A 9 2.720 -2.640 -3.862 1.00 0.00 H new ATOM 0 HB3 ARG A 9 2.090 -2.165 -2.298 1.00 0.00 H new ATOM 0 HG2 ARG A 9 1.311 -4.257 -2.067 1.00 0.00 H new ATOM 0 HG3 ARG A 9 0.124 -3.888 -3.302 1.00 0.00 H new ATOM 0 HD2 ARG A 9 1.463 -5.950 -3.782 1.00 0.00 H new ATOM 0 HD3 ARG A 9 1.539 -4.748 -5.055 1.00 0.00 H new ATOM 0 HE ARG A 9 3.784 -4.401 -4.622 1.00 0.00 H new ATOM 0 HH11 ARG A 9 2.362 -6.088 -1.843 1.00 0.00 H new ATOM 0 HH12 ARG A 9 3.926 -6.722 -1.319 1.00 0.00 H new ATOM 0 HH21 ARG A 9 5.645 -5.342 -4.081 1.00 0.00 H new ATOM 0 HH22 ARG A 9 5.792 -6.293 -2.599 1.00 0.00 H new ATOM 164 N CYS A 10 -0.992 -1.459 -2.382 1.00 0.00 N ATOM 165 CA CYS A 10 -1.837 -0.823 -1.369 1.00 0.00 C ATOM 166 C CYS A 10 -2.616 -1.827 -0.533 1.00 0.00 C ATOM 167 O CYS A 10 -3.475 -2.551 -1.041 1.00 0.00 O ATOM 168 CB CYS A 10 -2.815 0.163 -2.025 1.00 0.00 C ATOM 169 SG CYS A 10 -3.843 1.096 -0.847 1.00 0.00 S ATOM 0 H CYS A 10 -1.266 -2.409 -2.634 1.00 0.00 H new ATOM 0 HA CYS A 10 -1.163 -0.290 -0.698 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -2.248 0.869 -2.632 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -3.468 -0.388 -2.702 1.00 0.00 H new ATOM 0 HG CYS A 10 -4.340 2.142 -1.438 1.00 0.00 H new ATOM 174 N PHE A 11 -2.332 -1.823 0.770 1.00 0.00 N ATOM 175 CA PHE A 11 -3.025 -2.688 1.712 1.00 0.00 C ATOM 176 C PHE A 11 -3.809 -1.834 2.702 1.00 0.00 C ATOM 177 O PHE A 11 -3.313 -0.806 3.172 1.00 0.00 O ATOM 178 CB PHE A 11 -2.049 -3.593 2.489 1.00 0.00 C ATOM 179 CG PHE A 11 -1.166 -2.852 3.458 1.00 0.00 C ATOM 180 CD1 PHE A 11 -1.645 -2.481 4.709 1.00 0.00 C ATOM 181 CD2 PHE A 11 0.137 -2.529 3.123 1.00 0.00 C ATOM 182 CE1 PHE A 11 -0.838 -1.803 5.601 1.00 0.00 C ATOM 183 CE2 PHE A 11 0.949 -1.852 4.013 1.00 0.00 C ATOM 184 CZ PHE A 11 0.461 -1.489 5.253 1.00 0.00 C ATOM 0 H PHE A 11 -1.622 -1.225 1.194 1.00 0.00 H new ATOM 0 HA PHE A 11 -3.697 -3.329 1.141 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -2.621 -4.343 3.035 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -1.421 -4.128 1.777 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -2.660 -2.726 4.986 1.00 0.00 H new ATOM 0 HD2 PHE A 11 0.524 -2.809 2.154 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -1.222 -1.519 6.569 1.00 0.00 H new ATOM 0 HE2 PHE A 11 1.965 -1.607 3.739 1.00 0.00 H new ATOM 0 HZ PHE A 11 1.095 -0.960 5.950 1.00 0.00 H new ATOM 194 N TYR A 12 -5.008 -2.273 3.047 1.00 0.00 N ATOM 195 CA TYR A 12 -5.813 -1.561 4.019 1.00 0.00 C ATOM 196 C TYR A 12 -5.422 -2.048 5.400 1.00 0.00 C ATOM 197 O TYR A 12 -5.259 -3.253 5.597 1.00 0.00 O ATOM 198 CB TYR A 12 -7.308 -1.798 3.782 1.00 0.00 C ATOM 199 CG TYR A 12 -7.874 -0.794 2.807 1.00 0.00 C ATOM 200 CD1 TYR A 12 -7.830 -1.026 1.438 1.00 0.00 C ATOM 201 CD2 TYR A 12 -8.430 0.397 3.240 1.00 0.00 C ATOM 202 CE1 TYR A 12 -8.317 -0.128 0.542 1.00 0.00 C ATOM 203 CE2 TYR A 12 -8.923 1.298 2.356 1.00 0.00 C ATOM 204 CZ TYR A 12 -8.874 1.048 0.999 1.00 0.00 C ATOM 205 OH TYR A 12 -9.377 1.972 0.109 1.00 0.00 O ATOM 0 H TYR A 12 -5.442 -3.115 2.669 1.00 0.00 H new ATOM 0 HA TYR A 12 -5.633 -0.490 3.924 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -7.462 -2.807 3.399 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -7.844 -1.731 4.729 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -7.396 -1.946 1.076 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -8.472 0.611 4.298 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -8.268 -0.333 -0.517 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -9.358 2.219 2.716 1.00 0.00 H new ATOM 0 HH TYR A 12 -9.055 1.766 -0.793 1.00 0.00 H new ATOM 215 N PHE A 13 -5.278 -1.141 6.357 1.00 0.00 N ATOM 216 CA PHE A 13 -4.934 -1.556 7.713 1.00 0.00 C ATOM 217 C PHE A 13 -6.083 -1.251 8.620 1.00 0.00 C ATOM 218 O PHE A 13 -6.504 -0.102 8.748 1.00 0.00 O ATOM 219 CB PHE A 13 -3.674 -0.889 8.242 1.00 0.00 C ATOM 220 CG PHE A 13 -3.089 -1.641 9.406 1.00 0.00 C ATOM 221 CD1 PHE A 13 -2.352 -2.782 9.180 1.00 0.00 C ATOM 222 CD2 PHE A 13 -3.261 -1.208 10.718 1.00 0.00 C ATOM 223 CE1 PHE A 13 -1.796 -3.484 10.221 1.00 0.00 C ATOM 224 CE2 PHE A 13 -2.703 -1.897 11.769 1.00 0.00 C ATOM 225 CZ PHE A 13 -1.967 -3.042 11.523 1.00 0.00 C ATOM 0 H PHE A 13 -5.391 -0.136 6.227 1.00 0.00 H new ATOM 0 HA PHE A 13 -4.731 -2.627 7.684 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -2.935 -0.824 7.443 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -3.904 0.132 8.548 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -2.209 -3.130 8.168 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -3.841 -0.318 10.913 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -1.226 -4.380 10.025 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -2.839 -1.546 12.781 1.00 0.00 H new ATOM 0 HZ PHE A 13 -1.527 -3.590 12.343 1.00 0.00 H new ATOM 235 N ASN A 14 -6.592 -2.291 9.244 1.00 0.00 N ATOM 236 CA ASN A 14 -7.705 -2.139 10.129 1.00 0.00 C ATOM 237 C ASN A 14 -7.174 -2.051 11.536 1.00 0.00 C ATOM 238 O ASN A 14 -7.269 -3.011 12.277 1.00 0.00 O ATOM 239 CB ASN A 14 -8.677 -3.321 9.997 1.00 0.00 C ATOM 240 CG ASN A 14 -10.074 -3.037 10.524 1.00 0.00 C ATOM 241 OD1 ASN A 14 -10.741 -3.926 11.049 1.00 0.00 O ATOM 242 ND2 ASN A 14 -10.527 -1.806 10.379 1.00 0.00 N ATOM 0 H ASN A 14 -6.247 -3.246 9.149 1.00 0.00 H new ATOM 0 HA ASN A 14 -8.256 -1.234 9.875 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -8.747 -3.604 8.947 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -8.266 -4.177 10.532 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -11.462 -1.564 10.708 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -9.942 -1.096 9.938 1.00 0.00 H new ATOM 249 N ARG A 15 -6.563 -0.919 11.874 1.00 0.00 N ATOM 250 CA ARG A 15 -5.952 -0.731 13.191 1.00 0.00 C ATOM 251 C ARG A 15 -6.818 -1.265 14.343 1.00 0.00 C ATOM 252 O ARG A 15 -6.276 -1.579 15.406 1.00 0.00 O ATOM 253 CB ARG A 15 -5.513 0.725 13.407 1.00 0.00 C ATOM 254 CG ARG A 15 -5.786 1.272 14.800 1.00 0.00 C ATOM 255 CD ARG A 15 -4.904 2.478 15.114 1.00 0.00 C ATOM 256 NE ARG A 15 -5.034 3.541 14.116 1.00 0.00 N ATOM 257 CZ ARG A 15 -4.212 3.703 13.072 1.00 0.00 C ATOM 258 NH1 ARG A 15 -3.189 2.873 12.874 1.00 0.00 N ATOM 259 NH2 ARG A 15 -4.415 4.705 12.222 1.00 0.00 N ATOM 0 H ARG A 15 -6.477 -0.114 11.253 1.00 0.00 H new ATOM 0 HA ARG A 15 -5.050 -1.343 13.203 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -4.445 0.802 13.204 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -6.022 1.355 12.678 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -6.835 1.557 14.880 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -5.611 0.490 15.539 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -5.168 2.871 16.096 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -3.863 2.159 15.167 1.00 0.00 H new ATOM 0 HE ARG A 15 -5.803 4.203 14.223 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -3.024 2.103 13.522 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -2.570 3.008 12.074 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -5.195 5.347 12.367 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -3.791 4.832 11.425 1.00 0.00 H new ATOM 273 N ILE A 16 -8.135 -1.464 14.136 1.00 0.00 N ATOM 274 CA ILE A 16 -8.952 -2.043 15.139 1.00 0.00 C ATOM 275 C ILE A 16 -8.498 -3.464 15.350 1.00 0.00 C ATOM 276 O ILE A 16 -8.185 -3.905 16.457 1.00 0.00 O ATOM 277 CB ILE A 16 -10.375 -2.060 14.685 1.00 0.00 C ATOM 278 CG1 ILE A 16 -10.977 -0.664 14.769 1.00 0.00 C ATOM 279 CG2 ILE A 16 -11.088 -3.047 15.547 1.00 0.00 C ATOM 280 CD1 ILE A 16 -10.094 0.424 15.358 1.00 0.00 C ATOM 0 H ILE A 16 -8.624 -1.222 13.274 1.00 0.00 H new ATOM 0 HA ILE A 16 -8.873 -1.466 16.060 1.00 0.00 H new ATOM 0 HB ILE A 16 -10.463 -2.357 13.640 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -11.270 -0.358 13.765 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -11.889 -0.722 15.363 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -12.137 -3.096 15.253 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -10.632 -4.030 15.429 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -11.017 -2.737 16.590 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -10.636 1.370 15.363 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -9.820 0.157 16.379 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -9.192 0.526 14.755 1.00 0.00 H new ATOM 292 N THR A 17 -8.431 -4.139 14.221 1.00 0.00 N ATOM 293 CA THR A 17 -7.983 -5.492 14.128 1.00 0.00 C ATOM 294 C THR A 17 -6.511 -5.514 13.807 1.00 0.00 C ATOM 295 O THR A 17 -5.945 -6.569 13.515 1.00 0.00 O ATOM 296 CB THR A 17 -8.814 -6.182 13.071 1.00 0.00 C ATOM 297 OG1 THR A 17 -8.422 -5.793 11.765 1.00 0.00 O ATOM 298 CG2 THR A 17 -10.260 -5.837 13.282 1.00 0.00 C ATOM 0 H THR A 17 -8.698 -3.739 13.321 1.00 0.00 H new ATOM 0 HA THR A 17 -8.109 -6.022 15.072 1.00 0.00 H new ATOM 0 HB THR A 17 -8.661 -7.257 13.162 1.00 0.00 H new ATOM 0 HG1 THR A 17 -9.192 -5.852 11.161 1.00 0.00 H new ATOM 0 HG21 THR A 17 -10.866 -6.331 12.523 1.00 0.00 H new ATOM 0 HG22 THR A 17 -10.573 -6.171 14.271 1.00 0.00 H new ATOM 0 HG23 THR A 17 -10.391 -4.758 13.205 1.00 0.00 H new ATOM 306 N GLY A 18 -5.933 -4.296 13.814 1.00 0.00 N ATOM 307 CA GLY A 18 -4.553 -4.070 13.438 1.00 0.00 C ATOM 308 C GLY A 18 -4.109 -5.071 12.404 1.00 0.00 C ATOM 309 O GLY A 18 -2.955 -5.504 12.383 1.00 0.00 O ATOM 0 H GLY A 18 -6.428 -3.446 14.085 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -4.439 -3.060 13.045 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -3.915 -4.143 14.319 1.00 0.00 H new ATOM 313 N LYS A 19 -5.067 -5.460 11.559 1.00 0.00 N ATOM 314 CA LYS A 19 -4.828 -6.429 10.527 1.00 0.00 C ATOM 315 C LYS A 19 -4.797 -5.760 9.168 1.00 0.00 C ATOM 316 O LYS A 19 -5.243 -4.623 9.011 1.00 0.00 O ATOM 317 CB LYS A 19 -5.866 -7.541 10.604 1.00 0.00 C ATOM 318 CG LYS A 19 -7.011 -7.352 9.652 1.00 0.00 C ATOM 319 CD LYS A 19 -7.553 -8.678 9.141 1.00 0.00 C ATOM 320 CE LYS A 19 -6.862 -9.106 7.856 1.00 0.00 C ATOM 321 NZ LYS A 19 -7.680 -10.078 7.078 1.00 0.00 N ATOM 0 H LYS A 19 -6.022 -5.104 11.584 1.00 0.00 H new ATOM 0 HA LYS A 19 -3.850 -6.886 10.678 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -5.382 -8.495 10.395 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -6.254 -7.597 11.621 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -7.809 -6.802 10.150 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -6.684 -6.745 8.808 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -7.415 -9.446 9.902 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -8.625 -8.591 8.967 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -6.662 -8.228 7.242 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -5.897 -9.554 8.095 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -7.058 -10.642 6.464 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -8.185 -10.709 7.733 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -8.369 -9.563 6.494 1.00 0.00 H new ATOM 335 N ARG A 20 -4.227 -6.454 8.202 1.00 0.00 N ATOM 336 CA ARG A 20 -4.090 -5.898 6.867 1.00 0.00 C ATOM 337 C ARG A 20 -4.761 -6.707 5.778 1.00 0.00 C ATOM 338 O ARG A 20 -4.816 -7.938 5.815 1.00 0.00 O ATOM 339 CB ARG A 20 -2.612 -5.723 6.527 1.00 0.00 C ATOM 340 CG ARG A 20 -1.910 -7.017 6.140 1.00 0.00 C ATOM 341 CD ARG A 20 -0.420 -6.950 6.439 1.00 0.00 C ATOM 342 NE ARG A 20 -0.106 -7.449 7.779 1.00 0.00 N ATOM 343 CZ ARG A 20 0.788 -6.892 8.603 1.00 0.00 C ATOM 344 NH1 ARG A 20 1.475 -5.812 8.235 1.00 0.00 N ATOM 345 NH2 ARG A 20 0.997 -7.421 9.804 1.00 0.00 N ATOM 0 H ARG A 20 -3.853 -7.397 8.313 1.00 0.00 H new ATOM 0 HA ARG A 20 -4.605 -4.938 6.895 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -2.520 -5.012 5.706 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -2.101 -5.287 7.385 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -2.355 -7.851 6.683 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -2.061 -7.212 5.078 1.00 0.00 H new ATOM 0 HD2 ARG A 20 0.125 -7.534 5.698 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -0.078 -5.919 6.347 1.00 0.00 H new ATOM 0 HE ARG A 20 -0.603 -8.278 8.106 1.00 0.00 H new ATOM 0 HH11 ARG A 20 1.322 -5.400 7.315 1.00 0.00 H new ATOM 0 HH12 ARG A 20 2.154 -5.397 8.873 1.00 0.00 H new ATOM 0 HH21 ARG A 20 0.476 -8.249 10.094 1.00 0.00 H new ATOM 0 HH22 ARG A 20 1.678 -6.999 10.436 1.00 0.00 H new ATOM 359 N GLN A 21 -5.242 -5.966 4.790 1.00 0.00 N ATOM 360 CA GLN A 21 -5.894 -6.517 3.629 1.00 0.00 C ATOM 361 C GLN A 21 -5.289 -5.901 2.376 1.00 0.00 C ATOM 362 O GLN A 21 -4.731 -4.811 2.432 1.00 0.00 O ATOM 363 CB GLN A 21 -7.350 -6.124 3.624 1.00 0.00 C ATOM 364 CG GLN A 21 -8.024 -6.100 4.956 1.00 0.00 C ATOM 365 CD GLN A 21 -9.376 -6.759 4.957 1.00 0.00 C ATOM 366 OE1 GLN A 21 -9.572 -7.803 5.579 1.00 0.00 O ATOM 367 NE2 GLN A 21 -10.321 -6.154 4.262 1.00 0.00 N ATOM 0 H GLN A 21 -5.185 -4.948 4.780 1.00 0.00 H new ATOM 0 HA GLN A 21 -5.775 -7.600 3.651 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -7.438 -5.134 3.176 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -7.891 -6.815 2.977 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -7.386 -6.598 5.686 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -8.133 -5.065 5.281 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -10.112 -5.290 3.762 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -11.260 -6.551 4.225 1.00 0.00 H new ATOM 376 N PHE A 22 -5.491 -6.538 1.239 1.00 0.00 N ATOM 377 CA PHE A 22 -5.055 -5.969 -0.034 1.00 0.00 C ATOM 378 C PHE A 22 -6.315 -5.466 -0.747 1.00 0.00 C ATOM 379 O PHE A 22 -6.453 -5.540 -1.969 1.00 0.00 O ATOM 380 CB PHE A 22 -4.347 -7.024 -0.867 1.00 0.00 C ATOM 381 CG PHE A 22 -2.947 -7.291 -0.403 1.00 0.00 C ATOM 382 CD1 PHE A 22 -1.949 -6.355 -0.605 1.00 0.00 C ATOM 383 CD2 PHE A 22 -2.630 -8.472 0.239 1.00 0.00 C ATOM 384 CE1 PHE A 22 -0.666 -6.593 -0.177 1.00 0.00 C ATOM 385 CE2 PHE A 22 -1.348 -8.715 0.669 1.00 0.00 C ATOM 386 CZ PHE A 22 -0.368 -7.774 0.459 1.00 0.00 C ATOM 0 H PHE A 22 -5.951 -7.445 1.164 1.00 0.00 H new ATOM 0 HA PHE A 22 -4.348 -5.153 0.119 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -4.919 -7.951 -0.832 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -4.324 -6.702 -1.908 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -2.181 -5.426 -1.105 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -3.398 -9.213 0.405 1.00 0.00 H new ATOM 0 HE1 PHE A 22 0.106 -5.855 -0.340 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -1.111 -9.642 1.170 1.00 0.00 H new ATOM 0 HZ PHE A 22 0.641 -7.964 0.795 1.00 0.00 H new ATOM 396 N GLU A 23 -7.257 -5.032 0.091 1.00 0.00 N ATOM 397 CA GLU A 23 -8.575 -4.586 -0.304 1.00 0.00 C ATOM 398 C GLU A 23 -9.092 -3.463 0.525 1.00 0.00 C ATOM 399 O GLU A 23 -8.792 -3.365 1.708 1.00 0.00 O ATOM 400 CB GLU A 23 -9.548 -5.734 -0.060 1.00 0.00 C ATOM 401 CG GLU A 23 -10.745 -5.351 0.822 1.00 0.00 C ATOM 402 CD GLU A 23 -11.648 -6.526 1.150 1.00 0.00 C ATOM 403 OE1 GLU A 23 -11.142 -7.538 1.680 1.00 0.00 O ATOM 404 OE2 GLU A 23 -12.864 -6.431 0.881 1.00 0.00 O ATOM 0 H GLU A 23 -7.108 -4.983 1.099 1.00 0.00 H new ATOM 0 HA GLU A 23 -8.497 -4.264 -1.342 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -9.916 -6.097 -1.020 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -9.012 -6.560 0.408 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -10.378 -4.913 1.750 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -11.329 -4.582 0.316 1.00 0.00 H new ATOM 411 N ARG A 24 -10.017 -2.749 -0.095 1.00 0.00 N ATOM 412 CA ARG A 24 -10.777 -1.731 0.562 1.00 0.00 C ATOM 413 C ARG A 24 -11.952 -2.471 1.172 1.00 0.00 C ATOM 414 O ARG A 24 -12.859 -2.933 0.477 1.00 0.00 O ATOM 415 CB ARG A 24 -11.190 -0.669 -0.430 1.00 0.00 C ATOM 416 CG ARG A 24 -12.124 0.347 0.142 1.00 0.00 C ATOM 417 CD ARG A 24 -12.232 1.551 -0.770 1.00 0.00 C ATOM 418 NE ARG A 24 -12.285 2.807 -0.033 1.00 0.00 N ATOM 419 CZ ARG A 24 -13.348 3.236 0.655 1.00 0.00 C ATOM 420 NH1 ARG A 24 -14.461 2.507 0.710 1.00 0.00 N ATOM 421 NH2 ARG A 24 -13.297 4.400 1.291 1.00 0.00 N ATOM 0 H ARG A 24 -10.254 -2.871 -1.079 1.00 0.00 H new ATOM 0 HA ARG A 24 -10.220 -1.196 1.331 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -10.299 -0.164 -0.802 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -11.666 -1.147 -1.286 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -13.109 -0.097 0.284 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -11.771 0.660 1.125 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -11.378 1.567 -1.448 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -13.126 1.457 -1.386 1.00 0.00 H new ATOM 0 HE ARG A 24 -11.455 3.399 -0.043 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -14.509 1.611 0.224 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -15.266 2.844 1.238 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -12.448 4.965 1.254 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -14.106 4.730 1.817 1.00 0.00 H new ATOM 435 N PRO A 25 -11.886 -2.641 2.489 1.00 0.00 N ATOM 436 CA PRO A 25 -12.875 -3.390 3.265 1.00 0.00 C ATOM 437 C PRO A 25 -14.293 -2.926 3.052 1.00 0.00 C ATOM 438 O PRO A 25 -14.534 -1.833 2.536 1.00 0.00 O ATOM 439 CB PRO A 25 -12.424 -3.220 4.692 1.00 0.00 C ATOM 440 CG PRO A 25 -11.001 -2.813 4.621 1.00 0.00 C ATOM 441 CD PRO A 25 -10.802 -2.116 3.319 1.00 0.00 C ATOM 0 HA PRO A 25 -12.914 -4.435 2.956 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -13.021 -2.465 5.203 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -12.537 -4.149 5.251 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -10.748 -2.154 5.452 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -10.349 -3.683 4.694 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -10.867 -1.033 3.428 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -9.824 -2.335 2.890 1.00 0.00 H new ATOM 449 N SER A 26 -15.210 -3.812 3.435 1.00 0.00 N ATOM 450 CA SER A 26 -16.657 -3.615 3.315 1.00 0.00 C ATOM 451 C SER A 26 -17.051 -2.178 3.241 1.00 0.00 C ATOM 452 O SER A 26 -17.859 -1.772 2.403 1.00 0.00 O ATOM 453 CB SER A 26 -17.346 -4.254 4.489 1.00 0.00 C ATOM 454 OG SER A 26 -18.746 -4.026 4.466 1.00 0.00 O ATOM 0 H SER A 26 -14.963 -4.711 3.849 1.00 0.00 H new ATOM 0 HA SER A 26 -16.963 -4.080 2.378 1.00 0.00 H new ATOM 0 HB2 SER A 26 -17.152 -5.327 4.484 1.00 0.00 H new ATOM 0 HB3 SER A 26 -16.928 -3.859 5.415 1.00 0.00 H new ATOM 0 HG SER A 26 -19.160 -4.457 5.243 1.00 0.00 H new ATOM 460 N ASP A 27 -16.424 -1.425 4.097 1.00 0.00 N ATOM 461 CA ASP A 27 -16.612 0.001 4.155 1.00 0.00 C ATOM 462 C ASP A 27 -17.994 0.412 4.684 1.00 0.00 C ATOM 463 O ASP A 27 -18.984 -0.300 4.410 1.00 0.00 O ATOM 464 CB ASP A 27 -16.344 0.508 2.767 1.00 0.00 C ATOM 465 CG ASP A 27 -17.393 1.468 2.229 1.00 0.00 C ATOM 466 OD1 ASP A 27 -17.248 2.689 2.449 1.00 0.00 O ATOM 467 OD2 ASP A 27 -18.355 0.998 1.587 1.00 0.00 O ATOM 468 OXT ASP A 27 -18.069 1.450 5.374 1.00 0.00 O ATOM 0 H ASP A 27 -15.760 -1.784 4.783 1.00 0.00 H new ATOM 0 HA ASP A 27 -15.926 0.448 4.875 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -15.375 1.007 2.758 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -16.270 -0.344 2.091 1.00 0.00 H new TER 473 ASP A 27 ATOM 474 N LYS B 1 -17.194 6.212 3.367 1.00 0.00 N ATOM 475 CA LYS B 1 -15.727 6.058 3.581 1.00 0.00 C ATOM 476 C LYS B 1 -15.403 4.769 4.338 1.00 0.00 C ATOM 477 O LYS B 1 -16.305 4.073 4.812 1.00 0.00 O ATOM 478 CB LYS B 1 -15.212 7.280 4.354 1.00 0.00 C ATOM 479 CG LYS B 1 -15.631 7.313 5.818 1.00 0.00 C ATOM 480 CD LYS B 1 -14.425 7.283 6.744 1.00 0.00 C ATOM 481 CE LYS B 1 -14.828 7.438 8.198 1.00 0.00 C ATOM 482 NZ LYS B 1 -15.693 6.317 8.669 1.00 0.00 N ATOM 0 H1 LYS B 1 -17.405 6.153 2.350 1.00 0.00 H new ATOM 0 H2 LYS B 1 -17.700 5.455 3.870 1.00 0.00 H new ATOM 0 H3 LYS B 1 -17.503 7.136 3.732 1.00 0.00 H new ATOM 0 HA LYS B 1 -15.232 5.994 2.612 1.00 0.00 H new ATOM 0 HB2 LYS B 1 -14.124 7.299 4.298 1.00 0.00 H new ATOM 0 HB3 LYS B 1 -15.572 8.185 3.864 1.00 0.00 H new ATOM 0 HG2 LYS B 1 -16.216 8.212 6.010 1.00 0.00 H new ATOM 0 HG3 LYS B 1 -16.277 6.461 6.032 1.00 0.00 H new ATOM 0 HD2 LYS B 1 -13.890 6.343 6.613 1.00 0.00 H new ATOM 0 HD3 LYS B 1 -13.736 8.082 6.470 1.00 0.00 H new ATOM 0 HE2 LYS B 1 -13.933 7.488 8.817 1.00 0.00 H new ATOM 0 HE3 LYS B 1 -15.358 8.382 8.327 1.00 0.00 H new ATOM 0 HZ1 LYS B 1 -15.601 6.217 9.700 1.00 0.00 H new ATOM 0 HZ2 LYS B 1 -16.684 6.519 8.428 1.00 0.00 H new ATOM 0 HZ3 LYS B 1 -15.397 5.433 8.208 1.00 0.00 H new ATOM 498 N LEU B 2 -14.109 4.458 4.444 1.00 0.00 N ATOM 499 CA LEU B 2 -13.644 3.264 5.133 1.00 0.00 C ATOM 500 C LEU B 2 -14.278 3.049 6.499 1.00 0.00 C ATOM 501 O LEU B 2 -14.604 3.993 7.220 1.00 0.00 O ATOM 502 CB LEU B 2 -12.166 3.368 5.374 1.00 0.00 C ATOM 503 CG LEU B 2 -11.257 3.051 4.207 1.00 0.00 C ATOM 504 CD1 LEU B 2 -9.846 3.312 4.640 1.00 0.00 C ATOM 505 CD2 LEU B 2 -11.398 1.611 3.773 1.00 0.00 C ATOM 0 H LEU B 2 -13.360 5.029 4.054 1.00 0.00 H new ATOM 0 HA LEU B 2 -13.920 2.433 4.484 1.00 0.00 H new ATOM 0 HB2 LEU B 2 -11.948 4.382 5.708 1.00 0.00 H new ATOM 0 HB3 LEU B 2 -11.909 2.699 6.196 1.00 0.00 H new ATOM 0 HG LEU B 2 -11.529 3.677 3.357 1.00 0.00 H new ATOM 0 HD11 LEU B 2 -9.166 3.092 3.817 1.00 0.00 H new ATOM 0 HD12 LEU B 2 -9.741 4.358 4.927 1.00 0.00 H new ATOM 0 HD13 LEU B 2 -9.603 2.676 5.491 1.00 0.00 H new ATOM 0 HD21 LEU B 2 -10.731 1.417 2.933 1.00 0.00 H new ATOM 0 HD22 LEU B 2 -11.137 0.954 4.602 1.00 0.00 H new ATOM 0 HD23 LEU B 2 -12.428 1.421 3.470 1.00 0.00 H new ATOM 517 N PRO B 3 -14.367 1.772 6.883 1.00 0.00 N ATOM 518 CA PRO B 3 -14.859 1.338 8.189 1.00 0.00 C ATOM 519 C PRO B 3 -13.880 1.716 9.269 1.00 0.00 C ATOM 520 O PRO B 3 -12.704 1.962 9.000 1.00 0.00 O ATOM 521 CB PRO B 3 -14.939 -0.173 8.090 1.00 0.00 C ATOM 522 CG PRO B 3 -14.766 -0.460 6.649 1.00 0.00 C ATOM 523 CD PRO B 3 -13.923 0.640 6.089 1.00 0.00 C ATOM 0 HA PRO B 3 -15.816 1.798 8.437 1.00 0.00 H new ATOM 0 HB2 PRO B 3 -14.162 -0.651 8.686 1.00 0.00 H new ATOM 0 HB3 PRO B 3 -15.896 -0.545 8.457 1.00 0.00 H new ATOM 0 HG2 PRO B 3 -14.286 -1.428 6.502 1.00 0.00 H new ATOM 0 HG3 PRO B 3 -15.731 -0.503 6.144 1.00 0.00 H new ATOM 0 HD2 PRO B 3 -12.858 0.445 6.212 1.00 0.00 H new ATOM 0 HD3 PRO B 3 -14.099 0.791 5.024 1.00 0.00 H new ATOM 531 N PRO B 4 -14.347 1.772 10.502 1.00 0.00 N ATOM 532 CA PRO B 4 -13.533 2.118 11.645 1.00 0.00 C ATOM 533 C PRO B 4 -12.231 1.383 11.714 1.00 0.00 C ATOM 534 O PRO B 4 -12.122 0.210 11.351 1.00 0.00 O ATOM 535 CB PRO B 4 -14.436 1.781 12.769 1.00 0.00 C ATOM 536 CG PRO B 4 -15.734 2.148 12.224 1.00 0.00 C ATOM 537 CD PRO B 4 -15.722 1.512 10.921 1.00 0.00 C ATOM 0 HA PRO B 4 -13.204 3.157 11.629 1.00 0.00 H new ATOM 0 HB2 PRO B 4 -14.386 0.724 13.032 1.00 0.00 H new ATOM 0 HB3 PRO B 4 -14.196 2.345 13.670 1.00 0.00 H new ATOM 0 HG2 PRO B 4 -16.552 1.784 12.845 1.00 0.00 H new ATOM 0 HG3 PRO B 4 -15.850 3.229 12.146 1.00 0.00 H new ATOM 0 HD2 PRO B 4 -15.942 0.446 10.979 1.00 0.00 H new ATOM 0 HD3 PRO B 4 -16.451 1.951 10.240 1.00 0.00 H new ATOM 545 N GLY B 5 -11.247 2.112 12.188 1.00 0.00 N ATOM 546 CA GLY B 5 -9.922 1.585 12.322 1.00 0.00 C ATOM 547 C GLY B 5 -9.199 1.325 10.997 1.00 0.00 C ATOM 548 O GLY B 5 -8.005 1.038 11.009 1.00 0.00 O ATOM 0 H GLY B 5 -11.348 3.081 12.488 1.00 0.00 H new ATOM 0 HA2 GLY B 5 -9.327 2.281 12.914 1.00 0.00 H new ATOM 0 HA3 GLY B 5 -9.972 0.651 12.882 1.00 0.00 H new ATOM 552 N TRP B 6 -9.899 1.408 9.852 1.00 0.00 N ATOM 553 CA TRP B 6 -9.269 1.148 8.562 1.00 0.00 C ATOM 554 C TRP B 6 -8.588 2.374 7.996 1.00 0.00 C ATOM 555 O TRP B 6 -9.036 3.505 8.191 1.00 0.00 O ATOM 556 CB TRP B 6 -10.299 0.704 7.532 1.00 0.00 C ATOM 557 CG TRP B 6 -10.606 -0.734 7.497 1.00 0.00 C ATOM 558 CD1 TRP B 6 -11.827 -1.246 7.615 1.00 0.00 C ATOM 559 CD2 TRP B 6 -9.738 -1.823 7.288 1.00 0.00 C ATOM 560 NE1 TRP B 6 -11.797 -2.597 7.576 1.00 0.00 N ATOM 561 CE2 TRP B 6 -10.518 -2.988 7.360 1.00 0.00 C ATOM 562 CE3 TRP B 6 -8.386 -1.944 7.065 1.00 0.00 C ATOM 563 CZ2 TRP B 6 -9.969 -4.247 7.210 1.00 0.00 C ATOM 564 CZ3 TRP B 6 -7.846 -3.189 6.915 1.00 0.00 C ATOM 565 CH2 TRP B 6 -8.620 -4.316 6.988 1.00 0.00 C ATOM 0 H TRP B 6 -10.888 1.650 9.801 1.00 0.00 H new ATOM 0 HA TRP B 6 -8.532 0.367 8.748 1.00 0.00 H new ATOM 0 HB2 TRP B 6 -11.225 1.247 7.718 1.00 0.00 H new ATOM 0 HB3 TRP B 6 -9.947 1.003 6.545 1.00 0.00 H new ATOM 0 HD1 TRP B 6 -12.726 -0.659 7.727 1.00 0.00 H new ATOM 0 HE1 TRP B 6 -12.600 -3.216 7.690 1.00 0.00 H new ATOM 0 HE3 TRP B 6 -7.760 -1.066 7.009 1.00 0.00 H new ATOM 0 HZ2 TRP B 6 -10.577 -5.138 7.265 1.00 0.00 H new ATOM 0 HZ3 TRP B 6 -6.786 -3.287 6.735 1.00 0.00 H new ATOM 0 HH2 TRP B 6 -8.155 -5.283 6.867 1.00 0.00 H new ATOM 576 N GLU B 7 -7.540 2.118 7.236 1.00 0.00 N ATOM 577 CA GLU B 7 -6.806 3.169 6.552 1.00 0.00 C ATOM 578 C GLU B 7 -6.122 2.597 5.319 1.00 0.00 C ATOM 579 O GLU B 7 -5.370 1.625 5.408 1.00 0.00 O ATOM 580 CB GLU B 7 -5.776 3.841 7.473 1.00 0.00 C ATOM 581 CG GLU B 7 -6.361 4.912 8.384 1.00 0.00 C ATOM 582 CD GLU B 7 -7.030 6.039 7.616 1.00 0.00 C ATOM 583 OE1 GLU B 7 -6.336 6.718 6.830 1.00 0.00 O ATOM 584 OE2 GLU B 7 -8.248 6.244 7.803 1.00 0.00 O ATOM 0 H GLU B 7 -7.174 1.180 7.075 1.00 0.00 H new ATOM 0 HA GLU B 7 -7.519 3.937 6.251 1.00 0.00 H new ATOM 0 HB2 GLU B 7 -5.301 3.076 8.088 1.00 0.00 H new ATOM 0 HB3 GLU B 7 -4.994 4.289 6.860 1.00 0.00 H new ATOM 0 HG2 GLU B 7 -7.088 4.454 9.055 1.00 0.00 H new ATOM 0 HG3 GLU B 7 -5.568 5.325 9.008 1.00 0.00 H new ATOM 591 N LYS B 8 -6.396 3.204 4.168 1.00 0.00 N ATOM 592 CA LYS B 8 -5.817 2.752 2.914 1.00 0.00 C ATOM 593 C LYS B 8 -4.370 3.238 2.813 1.00 0.00 C ATOM 594 O LYS B 8 -4.110 4.443 2.849 1.00 0.00 O ATOM 595 CB LYS B 8 -6.631 3.295 1.709 1.00 0.00 C ATOM 596 CG LYS B 8 -6.242 2.661 0.375 1.00 0.00 C ATOM 597 CD LYS B 8 -6.891 3.385 -0.796 1.00 0.00 C ATOM 598 CE LYS B 8 -6.146 4.665 -1.147 1.00 0.00 C ATOM 599 NZ LYS B 8 -6.091 4.893 -2.618 1.00 0.00 N ATOM 0 H LYS B 8 -7.016 4.010 4.081 1.00 0.00 H new ATOM 0 HA LYS B 8 -5.843 1.663 2.891 1.00 0.00 H new ATOM 0 HB2 LYS B 8 -7.692 3.121 1.889 1.00 0.00 H new ATOM 0 HB3 LYS B 8 -6.492 4.374 1.644 1.00 0.00 H new ATOM 0 HG2 LYS B 8 -5.158 2.683 0.263 1.00 0.00 H new ATOM 0 HG3 LYS B 8 -6.542 1.613 0.368 1.00 0.00 H new ATOM 0 HD2 LYS B 8 -6.913 2.727 -1.664 1.00 0.00 H new ATOM 0 HD3 LYS B 8 -7.926 3.622 -0.549 1.00 0.00 H new ATOM 0 HE2 LYS B 8 -6.635 5.512 -0.667 1.00 0.00 H new ATOM 0 HE3 LYS B 8 -5.132 4.615 -0.750 1.00 0.00 H new ATOM 0 HZ1 LYS B 8 -6.131 5.914 -2.813 1.00 0.00 H new ATOM 0 HZ2 LYS B 8 -5.204 4.503 -2.997 1.00 0.00 H new ATOM 0 HZ3 LYS B 8 -6.899 4.422 -3.073 1.00 0.00 H new ATOM 613 N ARG B 9 -3.439 2.299 2.692 1.00 0.00 N ATOM 614 CA ARG B 9 -2.017 2.632 2.591 1.00 0.00 C ATOM 615 C ARG B 9 -1.421 2.062 1.307 1.00 0.00 C ATOM 616 O ARG B 9 -1.238 0.849 1.189 1.00 0.00 O ATOM 617 CB ARG B 9 -1.255 2.095 3.809 1.00 0.00 C ATOM 618 CG ARG B 9 -1.869 2.499 5.145 1.00 0.00 C ATOM 619 CD ARG B 9 -1.050 3.577 5.844 1.00 0.00 C ATOM 620 NE ARG B 9 -0.517 4.543 4.942 1.00 0.00 N ATOM 621 CZ ARG B 9 -1.155 5.629 4.564 1.00 0.00 C ATOM 622 NH1 ARG B 9 -2.445 5.820 4.826 1.00 0.00 N ATOM 623 NH2 ARG B 9 -0.467 6.512 3.917 1.00 0.00 N ATOM 0 H ARG B 9 -3.640 1.299 2.661 1.00 0.00 H new ATOM 0 HA ARG B 9 -1.921 3.717 2.566 1.00 0.00 H new ATOM 0 HB2 ARG B 9 -1.216 1.007 3.751 1.00 0.00 H new ATOM 0 HB3 ARG B 9 -0.226 2.453 3.769 1.00 0.00 H new ATOM 0 HG2 ARG B 9 -2.884 2.862 4.983 1.00 0.00 H new ATOM 0 HG3 ARG B 9 -1.943 1.624 5.790 1.00 0.00 H new ATOM 0 HD2 ARG B 9 -1.676 4.082 6.580 1.00 0.00 H new ATOM 0 HD3 ARG B 9 -0.232 3.107 6.390 1.00 0.00 H new ATOM 0 HE ARG B 9 0.417 4.382 4.566 1.00 0.00 H new ATOM 0 HH11 ARG B 9 -2.972 5.111 5.336 1.00 0.00 H new ATOM 0 HH12 ARG B 9 -2.907 6.675 4.517 1.00 0.00 H new ATOM 0 HH21 ARG B 9 0.521 6.347 3.724 1.00 0.00 H new ATOM 0 HH22 ARG B 9 -0.912 7.373 3.600 1.00 0.00 H new ATOM 637 N CYS B 10 -1.131 2.939 0.342 1.00 0.00 N ATOM 638 CA CYS B 10 -0.570 2.504 -0.939 1.00 0.00 C ATOM 639 C CYS B 10 0.920 2.808 -1.046 1.00 0.00 C ATOM 640 O CYS B 10 1.317 3.928 -1.377 1.00 0.00 O ATOM 641 CB CYS B 10 -1.328 3.137 -2.111 1.00 0.00 C ATOM 642 SG CYS B 10 -3.126 3.274 -1.841 1.00 0.00 S ATOM 0 H CYS B 10 -1.274 3.946 0.422 1.00 0.00 H new ATOM 0 HA CYS B 10 -0.689 1.422 -0.986 1.00 0.00 H new ATOM 0 HB2 CYS B 10 -0.922 4.131 -2.299 1.00 0.00 H new ATOM 0 HB3 CYS B 10 -1.149 2.545 -3.009 1.00 0.00 H new ATOM 0 HG CYS B 10 -3.462 2.577 -0.796 1.00 0.00 H new ATOM 647 N PHE B 11 1.742 1.787 -0.784 1.00 0.00 N ATOM 648 CA PHE B 11 3.190 1.929 -0.872 1.00 0.00 C ATOM 649 C PHE B 11 3.726 1.237 -2.127 1.00 0.00 C ATOM 650 O PHE B 11 3.368 0.094 -2.421 1.00 0.00 O ATOM 651 CB PHE B 11 3.892 1.346 0.375 1.00 0.00 C ATOM 652 CG PHE B 11 3.891 -0.158 0.440 1.00 0.00 C ATOM 653 CD1 PHE B 11 4.807 -0.897 -0.310 1.00 0.00 C ATOM 654 CD2 PHE B 11 2.989 -0.839 1.255 1.00 0.00 C ATOM 655 CE1 PHE B 11 4.820 -2.284 -0.249 1.00 0.00 C ATOM 656 CE2 PHE B 11 2.998 -2.228 1.317 1.00 0.00 C ATOM 657 CZ PHE B 11 3.914 -2.950 0.565 1.00 0.00 C ATOM 0 H PHE B 11 1.426 0.857 -0.510 1.00 0.00 H new ATOM 0 HA PHE B 11 3.407 2.996 -0.926 1.00 0.00 H new ATOM 0 HB2 PHE B 11 4.923 1.698 0.395 1.00 0.00 H new ATOM 0 HB3 PHE B 11 3.404 1.737 1.268 1.00 0.00 H new ATOM 0 HD1 PHE B 11 5.514 -0.384 -0.945 1.00 0.00 H new ATOM 0 HD2 PHE B 11 2.276 -0.282 1.845 1.00 0.00 H new ATOM 0 HE1 PHE B 11 5.534 -2.844 -0.834 1.00 0.00 H new ATOM 0 HE2 PHE B 11 2.292 -2.745 1.950 1.00 0.00 H new ATOM 0 HZ PHE B 11 3.922 -4.029 0.613 1.00 0.00 H new ATOM 667 N TYR B 12 4.621 1.916 -2.832 1.00 0.00 N ATOM 668 CA TYR B 12 5.263 1.355 -4.010 1.00 0.00 C ATOM 669 C TYR B 12 6.331 0.392 -3.536 1.00 0.00 C ATOM 670 O TYR B 12 7.000 0.669 -2.541 1.00 0.00 O ATOM 671 CB TYR B 12 5.913 2.450 -4.859 1.00 0.00 C ATOM 672 CG TYR B 12 5.005 2.926 -5.968 1.00 0.00 C ATOM 673 CD1 TYR B 12 4.977 2.274 -7.187 1.00 0.00 C ATOM 674 CD2 TYR B 12 4.190 4.049 -5.816 1.00 0.00 C ATOM 675 CE1 TYR B 12 4.193 2.707 -8.219 1.00 0.00 C ATOM 676 CE2 TYR B 12 3.386 4.498 -6.838 1.00 0.00 C ATOM 677 CZ TYR B 12 3.387 3.825 -8.054 1.00 0.00 C ATOM 678 OH TYR B 12 2.597 4.268 -9.091 1.00 0.00 O ATOM 0 H TYR B 12 4.920 2.864 -2.605 1.00 0.00 H new ATOM 0 HA TYR B 12 4.518 0.851 -4.625 1.00 0.00 H new ATOM 0 HB2 TYR B 12 6.177 3.293 -4.221 1.00 0.00 H new ATOM 0 HB3 TYR B 12 6.841 2.072 -5.288 1.00 0.00 H new ATOM 0 HD1 TYR B 12 5.592 1.398 -7.327 1.00 0.00 H new ATOM 0 HD2 TYR B 12 4.191 4.578 -4.874 1.00 0.00 H new ATOM 0 HE1 TYR B 12 4.200 2.180 -9.162 1.00 0.00 H new ATOM 0 HE2 TYR B 12 2.759 5.366 -6.697 1.00 0.00 H new ATOM 0 HH TYR B 12 2.096 5.061 -8.805 1.00 0.00 H new ATOM 688 N PHE B 13 6.517 -0.718 -4.230 1.00 0.00 N ATOM 689 CA PHE B 13 7.556 -1.662 -3.831 1.00 0.00 C ATOM 690 C PHE B 13 8.515 -1.868 -4.967 1.00 0.00 C ATOM 691 O PHE B 13 8.137 -2.342 -6.039 1.00 0.00 O ATOM 692 CB PHE B 13 6.990 -2.999 -3.385 1.00 0.00 C ATOM 693 CG PHE B 13 7.986 -3.798 -2.593 1.00 0.00 C ATOM 694 CD1 PHE B 13 8.203 -3.500 -1.259 1.00 0.00 C ATOM 695 CD2 PHE B 13 8.704 -4.847 -3.170 1.00 0.00 C ATOM 696 CE1 PHE B 13 9.100 -4.228 -0.504 1.00 0.00 C ATOM 697 CE2 PHE B 13 9.609 -5.583 -2.427 1.00 0.00 C ATOM 698 CZ PHE B 13 9.806 -5.279 -1.085 1.00 0.00 C ATOM 0 H PHE B 13 5.979 -0.987 -5.053 1.00 0.00 H new ATOM 0 HA PHE B 13 8.074 -1.231 -2.974 1.00 0.00 H new ATOM 0 HB2 PHE B 13 6.098 -2.831 -2.781 1.00 0.00 H new ATOM 0 HB3 PHE B 13 6.680 -3.571 -4.260 1.00 0.00 H new ATOM 0 HD1 PHE B 13 7.662 -2.685 -0.802 1.00 0.00 H new ATOM 0 HD2 PHE B 13 8.551 -5.087 -4.212 1.00 0.00 H new ATOM 0 HE1 PHE B 13 9.254 -3.983 0.536 1.00 0.00 H new ATOM 0 HE2 PHE B 13 10.160 -6.390 -2.887 1.00 0.00 H new ATOM 0 HZ PHE B 13 10.504 -5.855 -0.495 1.00 0.00 H new ATOM 708 N ASN B 14 9.760 -1.510 -4.721 1.00 0.00 N ATOM 709 CA ASN B 14 10.782 -1.647 -5.723 1.00 0.00 C ATOM 710 C ASN B 14 11.446 -2.992 -5.540 1.00 0.00 C ATOM 711 O ASN B 14 12.567 -3.062 -5.065 1.00 0.00 O ATOM 712 CB ASN B 14 11.814 -0.511 -5.627 1.00 0.00 C ATOM 713 CG ASN B 14 12.736 -0.420 -6.827 1.00 0.00 C ATOM 714 OD1 ASN B 14 13.936 -0.193 -6.689 1.00 0.00 O ATOM 715 ND2 ASN B 14 12.179 -0.590 -8.006 1.00 0.00 N ATOM 0 H ASN B 14 10.082 -1.123 -3.834 1.00 0.00 H new ATOM 0 HA ASN B 14 10.332 -1.584 -6.714 1.00 0.00 H new ATOM 0 HB2 ASN B 14 11.288 0.437 -5.512 1.00 0.00 H new ATOM 0 HB3 ASN B 14 12.415 -0.653 -4.729 1.00 0.00 H new ATOM 0 HD21 ASN B 14 12.747 -0.535 -8.851 1.00 0.00 H new ATOM 0 HD22 ASN B 14 11.179 -0.777 -8.075 1.00 0.00 H new ATOM 722 N ARG B 15 10.713 -4.057 -5.866 1.00 0.00 N ATOM 723 CA ARG B 15 11.195 -5.431 -5.685 1.00 0.00 C ATOM 724 C ARG B 15 12.674 -5.618 -6.052 1.00 0.00 C ATOM 725 O ARG B 15 13.313 -6.525 -5.512 1.00 0.00 O ATOM 726 CB ARG B 15 10.287 -6.447 -6.402 1.00 0.00 C ATOM 727 CG ARG B 15 11.024 -7.523 -7.189 1.00 0.00 C ATOM 728 CD ARG B 15 10.362 -8.886 -7.028 1.00 0.00 C ATOM 729 NE ARG B 15 10.460 -9.384 -5.655 1.00 0.00 N ATOM 730 CZ ARG B 15 11.577 -9.878 -5.112 1.00 0.00 C ATOM 731 NH1 ARG B 15 12.700 -9.953 -5.823 1.00 0.00 N ATOM 732 NH2 ARG B 15 11.570 -10.300 -3.852 1.00 0.00 N ATOM 0 H ARG B 15 9.774 -3.995 -6.261 1.00 0.00 H new ATOM 0 HA ARG B 15 11.137 -5.631 -4.615 1.00 0.00 H new ATOM 0 HB2 ARG B 15 9.652 -6.931 -5.660 1.00 0.00 H new ATOM 0 HB3 ARG B 15 9.628 -5.907 -7.082 1.00 0.00 H new ATOM 0 HG2 ARG B 15 11.047 -7.251 -8.244 1.00 0.00 H new ATOM 0 HG3 ARG B 15 12.059 -7.578 -6.851 1.00 0.00 H new ATOM 0 HD2 ARG B 15 9.313 -8.815 -7.314 1.00 0.00 H new ATOM 0 HD3 ARG B 15 10.830 -9.599 -7.707 1.00 0.00 H new ATOM 0 HE ARG B 15 9.622 -9.352 -5.075 1.00 0.00 H new ATOM 0 HH11 ARG B 15 12.713 -9.632 -6.791 1.00 0.00 H new ATOM 0 HH12 ARG B 15 13.547 -10.332 -5.400 1.00 0.00 H new ATOM 0 HH21 ARG B 15 10.713 -10.247 -3.301 1.00 0.00 H new ATOM 0 HH22 ARG B 15 12.421 -10.677 -3.436 1.00 0.00 H new ATOM 746 N ILE B 16 13.258 -4.752 -6.898 1.00 0.00 N ATOM 747 CA ILE B 16 14.636 -4.856 -7.203 1.00 0.00 C ATOM 748 C ILE B 16 15.429 -4.605 -5.952 1.00 0.00 C ATOM 749 O ILE B 16 16.304 -5.376 -5.555 1.00 0.00 O ATOM 750 CB ILE B 16 15.014 -3.818 -8.212 1.00 0.00 C ATOM 751 CG1 ILE B 16 14.498 -4.197 -9.594 1.00 0.00 C ATOM 752 CG2 ILE B 16 16.501 -3.705 -8.173 1.00 0.00 C ATOM 753 CD1 ILE B 16 13.758 -5.520 -9.709 1.00 0.00 C ATOM 0 H ILE B 16 12.772 -3.986 -7.365 1.00 0.00 H new ATOM 0 HA ILE B 16 14.842 -5.850 -7.601 1.00 0.00 H new ATOM 0 HB ILE B 16 14.563 -2.853 -7.982 1.00 0.00 H new ATOM 0 HG12 ILE B 16 13.833 -3.405 -9.938 1.00 0.00 H new ATOM 0 HG13 ILE B 16 15.346 -4.221 -10.279 1.00 0.00 H new ATOM 0 HG21 ILE B 16 16.828 -2.957 -8.895 1.00 0.00 H new ATOM 0 HG22 ILE B 16 16.817 -3.407 -7.173 1.00 0.00 H new ATOM 0 HG23 ILE B 16 16.946 -4.668 -8.422 1.00 0.00 H new ATOM 0 HD11 ILE B 16 13.443 -5.672 -10.741 1.00 0.00 H new ATOM 0 HD12 ILE B 16 14.418 -6.333 -9.407 1.00 0.00 H new ATOM 0 HD13 ILE B 16 12.882 -5.504 -9.061 1.00 0.00 H new ATOM 765 N THR B 17 15.068 -3.498 -5.343 1.00 0.00 N ATOM 766 CA THR B 17 15.658 -3.044 -4.127 1.00 0.00 C ATOM 767 C THR B 17 14.734 -3.339 -2.971 1.00 0.00 C ATOM 768 O THR B 17 14.853 -2.748 -1.895 1.00 0.00 O ATOM 769 CB THR B 17 15.954 -1.572 -4.294 1.00 0.00 C ATOM 770 OG1 THR B 17 14.783 -0.792 -4.155 1.00 0.00 O ATOM 771 CG2 THR B 17 16.552 -1.343 -5.655 1.00 0.00 C ATOM 0 H THR B 17 14.337 -2.881 -5.697 1.00 0.00 H new ATOM 0 HA THR B 17 16.591 -3.562 -3.905 1.00 0.00 H new ATOM 0 HB THR B 17 16.655 -1.270 -3.516 1.00 0.00 H new ATOM 0 HG1 THR B 17 14.470 -0.511 -5.040 1.00 0.00 H new ATOM 0 HG21 THR B 17 16.769 -0.282 -5.783 1.00 0.00 H new ATOM 0 HG22 THR B 17 17.475 -1.916 -5.748 1.00 0.00 H new ATOM 0 HG23 THR B 17 15.847 -1.665 -6.421 1.00 0.00 H new ATOM 779 N GLY B 18 13.762 -4.223 -3.267 1.00 0.00 N ATOM 780 CA GLY B 18 12.696 -4.574 -2.337 1.00 0.00 C ATOM 781 C GLY B 18 12.286 -3.384 -1.493 1.00 0.00 C ATOM 782 O GLY B 18 11.835 -3.521 -0.356 1.00 0.00 O ATOM 0 H GLY B 18 13.703 -4.709 -4.162 1.00 0.00 H new ATOM 0 HA2 GLY B 18 11.834 -4.943 -2.892 1.00 0.00 H new ATOM 0 HA3 GLY B 18 13.029 -5.385 -1.689 1.00 0.00 H new ATOM 786 N LYS B 19 12.490 -2.206 -2.076 1.00 0.00 N ATOM 787 CA LYS B 19 12.197 -0.940 -1.446 1.00 0.00 C ATOM 788 C LYS B 19 10.722 -0.663 -1.342 1.00 0.00 C ATOM 789 O LYS B 19 9.916 -1.210 -2.087 1.00 0.00 O ATOM 790 CB LYS B 19 12.803 0.176 -2.251 1.00 0.00 C ATOM 791 CG LYS B 19 14.137 0.618 -1.740 1.00 0.00 C ATOM 792 CD LYS B 19 14.614 1.887 -2.432 1.00 0.00 C ATOM 793 CE LYS B 19 14.894 2.998 -1.431 1.00 0.00 C ATOM 794 NZ LYS B 19 16.344 3.104 -1.106 1.00 0.00 N ATOM 0 H LYS B 19 12.871 -2.112 -3.017 1.00 0.00 H new ATOM 0 HA LYS B 19 12.614 -0.995 -0.441 1.00 0.00 H new ATOM 0 HB2 LYS B 19 12.908 -0.148 -3.287 1.00 0.00 H new ATOM 0 HB3 LYS B 19 12.121 1.027 -2.250 1.00 0.00 H new ATOM 0 HG2 LYS B 19 14.076 0.791 -0.666 1.00 0.00 H new ATOM 0 HG3 LYS B 19 14.867 -0.177 -1.894 1.00 0.00 H new ATOM 0 HD2 LYS B 19 15.518 1.674 -3.002 1.00 0.00 H new ATOM 0 HD3 LYS B 19 13.859 2.220 -3.144 1.00 0.00 H new ATOM 0 HE2 LYS B 19 14.543 3.947 -1.835 1.00 0.00 H new ATOM 0 HE3 LYS B 19 14.330 2.813 -0.517 1.00 0.00 H new ATOM 0 HZ1 LYS B 19 16.491 3.873 -0.421 1.00 0.00 H new ATOM 0 HZ2 LYS B 19 16.674 2.207 -0.696 1.00 0.00 H new ATOM 0 HZ3 LYS B 19 16.880 3.306 -1.974 1.00 0.00 H new ATOM 808 N ARG B 20 10.394 0.235 -0.436 1.00 0.00 N ATOM 809 CA ARG B 20 9.030 0.654 -0.252 1.00 0.00 C ATOM 810 C ARG B 20 8.920 2.131 0.016 1.00 0.00 C ATOM 811 O ARG B 20 9.673 2.707 0.806 1.00 0.00 O ATOM 812 CB ARG B 20 8.357 -0.106 0.860 1.00 0.00 C ATOM 813 CG ARG B 20 8.865 0.232 2.258 1.00 0.00 C ATOM 814 CD ARG B 20 9.826 -0.828 2.774 1.00 0.00 C ATOM 815 NE ARG B 20 9.125 -2.024 3.248 1.00 0.00 N ATOM 816 CZ ARG B 20 9.337 -2.607 4.434 1.00 0.00 C ATOM 817 NH1 ARG B 20 10.233 -2.116 5.288 1.00 0.00 N ATOM 818 NH2 ARG B 20 8.647 -3.692 4.766 1.00 0.00 N ATOM 0 H ARG B 20 11.063 0.689 0.186 1.00 0.00 H new ATOM 0 HA ARG B 20 8.521 0.434 -1.190 1.00 0.00 H new ATOM 0 HB2 ARG B 20 7.286 0.090 0.820 1.00 0.00 H new ATOM 0 HB3 ARG B 20 8.492 -1.174 0.687 1.00 0.00 H new ATOM 0 HG2 ARG B 20 9.365 1.200 2.240 1.00 0.00 H new ATOM 0 HG3 ARG B 20 8.020 0.322 2.941 1.00 0.00 H new ATOM 0 HD2 ARG B 20 10.519 -1.106 1.980 1.00 0.00 H new ATOM 0 HD3 ARG B 20 10.422 -0.412 3.586 1.00 0.00 H new ATOM 0 HE ARG B 20 8.427 -2.441 2.632 1.00 0.00 H new ATOM 0 HH11 ARG B 20 10.769 -1.284 5.042 1.00 0.00 H new ATOM 0 HH12 ARG B 20 10.383 -2.572 6.188 1.00 0.00 H new ATOM 0 HH21 ARG B 20 7.959 -4.077 4.118 1.00 0.00 H new ATOM 0 HH22 ARG B 20 8.805 -4.140 5.669 1.00 0.00 H new ATOM 832 N GLN B 21 7.964 2.730 -0.654 1.00 0.00 N ATOM 833 CA GLN B 21 7.703 4.138 -0.518 1.00 0.00 C ATOM 834 C GLN B 21 6.264 4.409 -0.877 1.00 0.00 C ATOM 835 O GLN B 21 5.750 3.812 -1.812 1.00 0.00 O ATOM 836 CB GLN B 21 8.593 4.935 -1.439 1.00 0.00 C ATOM 837 CG GLN B 21 9.460 4.086 -2.325 1.00 0.00 C ATOM 838 CD GLN B 21 10.534 4.866 -3.031 1.00 0.00 C ATOM 839 OE1 GLN B 21 10.133 5.704 -3.961 1.00 0.00 O flip ATOM 840 NE2 GLN B 21 11.720 4.714 -2.740 1.00 0.00 N flip ATOM 0 H GLN B 21 7.346 2.251 -1.309 1.00 0.00 H new ATOM 0 HA GLN B 21 7.903 4.434 0.512 1.00 0.00 H new ATOM 0 HB2 GLN B 21 7.972 5.579 -2.062 1.00 0.00 H new ATOM 0 HB3 GLN B 21 9.229 5.587 -0.841 1.00 0.00 H new ATOM 0 HG2 GLN B 21 9.924 3.303 -1.725 1.00 0.00 H new ATOM 0 HG3 GLN B 21 8.834 3.590 -3.067 1.00 0.00 H new ATOM 0 HE21 GLN B 21 11.985 4.052 -2.011 1.00 0.00 H new ATOM 0 HE22 GLN B 21 12.438 5.250 -3.228 1.00 0.00 H new ATOM 849 N PHE B 22 5.617 5.335 -0.197 1.00 0.00 N ATOM 850 CA PHE B 22 4.235 5.674 -0.541 1.00 0.00 C ATOM 851 C PHE B 22 4.238 6.621 -1.753 1.00 0.00 C ATOM 852 O PHE B 22 3.516 7.620 -1.789 1.00 0.00 O ATOM 853 CB PHE B 22 3.555 6.348 0.643 1.00 0.00 C ATOM 854 CG PHE B 22 3.286 5.418 1.794 1.00 0.00 C ATOM 855 CD1 PHE B 22 2.338 4.403 1.682 1.00 0.00 C ATOM 856 CD2 PHE B 22 3.983 5.547 2.993 1.00 0.00 C ATOM 857 CE1 PHE B 22 2.093 3.545 2.736 1.00 0.00 C ATOM 858 CE2 PHE B 22 3.741 4.689 4.048 1.00 0.00 C ATOM 859 CZ PHE B 22 2.796 3.690 3.916 1.00 0.00 C ATOM 0 H PHE B 22 6.009 5.862 0.583 1.00 0.00 H new ATOM 0 HA PHE B 22 3.686 4.765 -0.788 1.00 0.00 H new ATOM 0 HB2 PHE B 22 4.180 7.170 0.990 1.00 0.00 H new ATOM 0 HB3 PHE B 22 2.612 6.783 0.310 1.00 0.00 H new ATOM 0 HD1 PHE B 22 1.788 4.286 0.760 1.00 0.00 H new ATOM 0 HD2 PHE B 22 4.722 6.328 3.099 1.00 0.00 H new ATOM 0 HE1 PHE B 22 1.354 2.763 2.638 1.00 0.00 H new ATOM 0 HE2 PHE B 22 4.288 4.799 4.973 1.00 0.00 H new ATOM 0 HZ PHE B 22 2.606 3.019 4.740 1.00 0.00 H new ATOM 869 N GLU B 23 5.123 6.320 -2.703 1.00 0.00 N ATOM 870 CA GLU B 23 5.340 7.128 -3.886 1.00 0.00 C ATOM 871 C GLU B 23 5.690 6.331 -5.097 1.00 0.00 C ATOM 872 O GLU B 23 6.313 5.283 -5.000 1.00 0.00 O ATOM 873 CB GLU B 23 6.557 8.010 -3.629 1.00 0.00 C ATOM 874 CG GLU B 23 7.623 7.924 -4.726 1.00 0.00 C ATOM 875 CD GLU B 23 8.876 8.719 -4.409 1.00 0.00 C ATOM 876 OE1 GLU B 23 9.448 8.522 -3.315 1.00 0.00 O ATOM 877 OE2 GLU B 23 9.290 9.536 -5.259 1.00 0.00 O ATOM 0 H GLU B 23 5.716 5.491 -2.664 1.00 0.00 H new ATOM 0 HA GLU B 23 4.411 7.668 -4.068 1.00 0.00 H new ATOM 0 HB2 GLU B 23 6.230 9.045 -3.533 1.00 0.00 H new ATOM 0 HB3 GLU B 23 7.005 7.727 -2.676 1.00 0.00 H new ATOM 0 HG2 GLU B 23 7.893 6.879 -4.879 1.00 0.00 H new ATOM 0 HG3 GLU B 23 7.200 8.285 -5.663 1.00 0.00 H new ATOM 884 N ARG B 24 5.430 6.963 -6.231 1.00 0.00 N ATOM 885 CA ARG B 24 5.853 6.466 -7.498 1.00 0.00 C ATOM 886 C ARG B 24 7.164 7.209 -7.754 1.00 0.00 C ATOM 887 O ARG B 24 7.192 8.411 -8.029 1.00 0.00 O ATOM 888 CB ARG B 24 4.797 6.699 -8.544 1.00 0.00 C ATOM 889 CG ARG B 24 5.194 6.158 -9.877 1.00 0.00 C ATOM 890 CD ARG B 24 4.282 6.677 -10.962 1.00 0.00 C ATOM 891 NE ARG B 24 4.920 6.660 -12.268 1.00 0.00 N ATOM 892 CZ ARG B 24 5.754 7.609 -12.710 1.00 0.00 C ATOM 893 NH1 ARG B 24 6.062 8.651 -11.940 1.00 0.00 N ATOM 894 NH2 ARG B 24 6.287 7.515 -13.924 1.00 0.00 N ATOM 0 H ARG B 24 4.914 7.841 -6.281 1.00 0.00 H new ATOM 0 HA ARG B 24 6.007 5.387 -7.527 1.00 0.00 H new ATOM 0 HB2 ARG B 24 3.865 6.231 -8.227 1.00 0.00 H new ATOM 0 HB3 ARG B 24 4.604 7.768 -8.631 1.00 0.00 H new ATOM 0 HG2 ARG B 24 6.224 6.440 -10.096 1.00 0.00 H new ATOM 0 HG3 ARG B 24 5.159 5.069 -9.857 1.00 0.00 H new ATOM 0 HD2 ARG B 24 3.376 6.072 -10.994 1.00 0.00 H new ATOM 0 HD3 ARG B 24 3.976 7.695 -10.722 1.00 0.00 H new ATOM 0 HE ARG B 24 4.719 5.875 -12.887 1.00 0.00 H new ATOM 0 HH11 ARG B 24 5.661 8.730 -11.005 1.00 0.00 H new ATOM 0 HH12 ARG B 24 6.698 9.370 -12.285 1.00 0.00 H new ATOM 0 HH21 ARG B 24 6.061 6.719 -14.520 1.00 0.00 H new ATOM 0 HH22 ARG B 24 6.922 8.239 -14.259 1.00 0.00 H new ATOM 908 N PRO B 25 8.258 6.479 -7.544 1.00 0.00 N ATOM 909 CA PRO B 25 9.634 6.979 -7.608 1.00 0.00 C ATOM 910 C PRO B 25 9.976 7.776 -8.844 1.00 0.00 C ATOM 911 O PRO B 25 9.513 7.511 -9.955 1.00 0.00 O ATOM 912 CB PRO B 25 10.493 5.757 -7.452 1.00 0.00 C ATOM 913 CG PRO B 25 9.599 4.715 -6.880 1.00 0.00 C ATOM 914 CD PRO B 25 8.193 5.085 -7.167 1.00 0.00 C ATOM 0 HA PRO B 25 9.799 7.715 -6.821 1.00 0.00 H new ATOM 0 HB2 PRO B 25 10.902 5.440 -8.411 1.00 0.00 H new ATOM 0 HB3 PRO B 25 11.339 5.953 -6.793 1.00 0.00 H new ATOM 0 HG2 PRO B 25 9.829 3.741 -7.312 1.00 0.00 H new ATOM 0 HG3 PRO B 25 9.756 4.632 -5.805 1.00 0.00 H new ATOM 0 HD2 PRO B 25 7.778 4.475 -7.969 1.00 0.00 H new ATOM 0 HD3 PRO B 25 7.557 4.939 -6.294 1.00 0.00 H new ATOM 922 N SER B 26 10.799 8.775 -8.582 1.00 0.00 N ATOM 923 CA SER B 26 11.292 9.721 -9.567 1.00 0.00 C ATOM 924 C SER B 26 11.846 9.047 -10.763 1.00 0.00 C ATOM 925 O SER B 26 11.692 9.511 -11.895 1.00 0.00 O ATOM 926 CB SER B 26 12.372 10.555 -8.948 1.00 0.00 C ATOM 927 OG SER B 26 12.947 11.454 -9.881 1.00 0.00 O ATOM 0 H SER B 26 11.155 8.957 -7.644 1.00 0.00 H new ATOM 0 HA SER B 26 10.449 10.335 -9.884 1.00 0.00 H new ATOM 0 HB2 SER B 26 11.961 11.116 -8.109 1.00 0.00 H new ATOM 0 HB3 SER B 26 13.148 9.904 -8.546 1.00 0.00 H new ATOM 0 HG SER B 26 13.646 11.981 -9.440 1.00 0.00 H new ATOM 933 N ASP B 27 12.477 7.946 -10.479 1.00 0.00 N ATOM 934 CA ASP B 27 13.075 7.118 -11.493 1.00 0.00 C ATOM 935 C ASP B 27 14.398 7.691 -12.017 1.00 0.00 C ATOM 936 O ASP B 27 15.326 6.893 -12.263 1.00 0.00 O ATOM 937 CB ASP B 27 12.045 6.957 -12.581 1.00 0.00 C ATOM 938 CG ASP B 27 12.535 7.313 -13.976 1.00 0.00 C ATOM 939 OD1 ASP B 27 13.169 6.450 -14.619 1.00 0.00 O ATOM 940 OD2 ASP B 27 12.284 8.451 -14.424 1.00 0.00 O ATOM 941 OXT ASP B 27 14.494 8.928 -12.179 1.00 0.00 O ATOM 0 H ASP B 27 12.594 7.591 -9.530 1.00 0.00 H new ATOM 0 HA ASP B 27 13.348 6.147 -11.079 1.00 0.00 H new ATOM 0 HB2 ASP B 27 11.699 5.924 -12.585 1.00 0.00 H new ATOM 0 HB3 ASP B 27 11.184 7.581 -12.343 1.00 0.00 H new TER 946 ASP B 27