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 19 LYS NZ :NH3+ 140:sc= 0.791 (180deg=-0.26) USER MOD Set 1.2: B 21 GLN : amide:sc= -5.68! C(o=-4.9!,f=-9.1!) USER MOD Set 2.1: B 14 ASN : amide:sc= -11.4! C(o=-17!,f=-32!) USER MOD Set 2.2: B 17 THR OG1 : rot 164:sc= -5.3! USER MOD Set 3.1: A 19 LYS NZ :NH3+ 163:sc= -0.144 (180deg=0) USER MOD Set 3.2: A 21 GLN :FLIP amide:sc= -3.74! C(o=-4.8!,f=-3.9!) USER MOD Set 4.1: A 14 ASN : amide:sc= -0.801 K(o=-2,f=-2.8) USER MOD Set 4.2: A 17 THR OG1 : rot -107:sc= -1.16 USER MOD Set 5.1: A 12 TYR OH : rot -15:sc= -0.206 USER MOD Set 5.2: B 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 6.1: A 10 CYS SG : rot -116:sc= -9.49! USER MOD Set 6.2: B 10 CYS SG : rot -102:sc= -9.18! USER MOD Single : A 1 LYS N :NH3+ -119:sc= 0.0752 (180deg=0) USER MOD Single : A 1 LYS NZ :NH3+ -174:sc= -0.0308 (180deg=-0.103) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : B 1 LYS N :NH3+ 148:sc= 0.0218 (180deg=-0.629) USER MOD Single : B 1 LYS NZ :NH3+ 152:sc= -0.253 (180deg=-1.23!) USER MOD Single : B 12 TYR OH : rot 180:sc= -1.04 USER MOD Single : B 26 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 6.402 5.881 -16.830 1.00 0.00 N ATOM 2 CA LYS A 1 5.926 4.883 -15.831 1.00 0.00 C ATOM 3 C LYS A 1 7.012 4.552 -14.806 1.00 0.00 C ATOM 4 O LYS A 1 8.159 4.983 -14.942 1.00 0.00 O ATOM 5 CB LYS A 1 5.484 3.615 -16.574 1.00 0.00 C ATOM 6 CG LYS A 1 6.633 2.802 -17.155 1.00 0.00 C ATOM 7 CD LYS A 1 6.715 1.419 -16.525 1.00 0.00 C ATOM 8 CE LYS A 1 5.933 0.390 -17.320 1.00 0.00 C ATOM 9 NZ LYS A 1 4.470 0.678 -17.333 1.00 0.00 N ATOM 0 H1 LYS A 1 5.810 6.735 -16.777 1.00 0.00 H new ATOM 0 H2 LYS A 1 7.390 6.132 -16.626 1.00 0.00 H new ATOM 0 H3 LYS A 1 6.338 5.474 -17.785 1.00 0.00 H new ATOM 0 HA LYS A 1 5.085 5.306 -15.282 1.00 0.00 H new ATOM 0 HB2 LYS A 1 4.917 2.985 -15.889 1.00 0.00 H new ATOM 0 HB3 LYS A 1 4.808 3.897 -17.381 1.00 0.00 H new ATOM 0 HG2 LYS A 1 6.502 2.704 -18.233 1.00 0.00 H new ATOM 0 HG3 LYS A 1 7.572 3.332 -16.995 1.00 0.00 H new ATOM 0 HD2 LYS A 1 7.758 1.111 -16.459 1.00 0.00 H new ATOM 0 HD3 LYS A 1 6.330 1.460 -15.506 1.00 0.00 H new ATOM 0 HE2 LYS A 1 6.305 0.366 -18.344 1.00 0.00 H new ATOM 0 HE3 LYS A 1 6.103 -0.600 -16.895 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 3.967 -0.103 -17.800 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 4.127 0.776 -16.356 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 4.295 1.562 -17.852 1.00 0.00 H new ATOM 25 N LEU A 2 6.636 3.788 -13.779 1.00 0.00 N ATOM 26 CA LEU A 2 7.550 3.392 -12.720 1.00 0.00 C ATOM 27 C LEU A 2 8.895 2.876 -13.213 1.00 0.00 C ATOM 28 O LEU A 2 9.006 2.252 -14.271 1.00 0.00 O ATOM 29 CB LEU A 2 6.934 2.277 -11.922 1.00 0.00 C ATOM 30 CG LEU A 2 5.899 2.671 -10.888 1.00 0.00 C ATOM 31 CD1 LEU A 2 5.375 1.415 -10.257 1.00 0.00 C ATOM 32 CD2 LEU A 2 6.487 3.570 -9.822 1.00 0.00 C ATOM 0 H LEU A 2 5.688 3.429 -13.663 1.00 0.00 H new ATOM 0 HA LEU A 2 7.724 4.296 -12.137 1.00 0.00 H new ATOM 0 HB2 LEU A 2 6.471 1.577 -12.617 1.00 0.00 H new ATOM 0 HB3 LEU A 2 7.735 1.739 -11.414 1.00 0.00 H new ATOM 0 HG LEU A 2 5.100 3.228 -11.378 1.00 0.00 H new ATOM 0 HD11 LEU A 2 4.626 1.670 -9.507 1.00 0.00 H new ATOM 0 HD12 LEU A 2 4.922 0.785 -11.022 1.00 0.00 H new ATOM 0 HD13 LEU A 2 6.195 0.877 -9.783 1.00 0.00 H new ATOM 0 HD21 LEU A 2 5.714 3.831 -9.099 1.00 0.00 H new ATOM 0 HD22 LEU A 2 7.298 3.049 -9.314 1.00 0.00 H new ATOM 0 HD23 LEU A 2 6.873 4.479 -10.284 1.00 0.00 H new ATOM 44 N PRO A 3 9.913 3.072 -12.369 1.00 0.00 N ATOM 45 CA PRO A 3 11.274 2.585 -12.580 1.00 0.00 C ATOM 46 C PRO A 3 11.324 1.090 -12.395 1.00 0.00 C ATOM 47 O PRO A 3 10.429 0.496 -11.795 1.00 0.00 O ATOM 48 CB PRO A 3 12.097 3.258 -11.495 1.00 0.00 C ATOM 49 CG PRO A 3 11.180 4.257 -10.901 1.00 0.00 C ATOM 50 CD PRO A 3 9.798 3.727 -11.083 1.00 0.00 C ATOM 0 HA PRO A 3 11.639 2.805 -13.583 1.00 0.00 H new ATOM 0 HB2 PRO A 3 12.436 2.538 -10.750 1.00 0.00 H new ATOM 0 HB3 PRO A 3 12.987 3.732 -11.908 1.00 0.00 H new ATOM 0 HG2 PRO A 3 11.402 4.407 -9.844 1.00 0.00 H new ATOM 0 HG3 PRO A 3 11.292 5.225 -11.390 1.00 0.00 H new ATOM 0 HD2 PRO A 3 9.516 3.032 -10.292 1.00 0.00 H new ATOM 0 HD3 PRO A 3 9.051 4.521 -11.091 1.00 0.00 H new ATOM 58 N PRO A 4 12.362 0.461 -12.911 1.00 0.00 N ATOM 59 CA PRO A 4 12.551 -0.969 -12.820 1.00 0.00 C ATOM 60 C PRO A 4 12.350 -1.536 -11.447 1.00 0.00 C ATOM 61 O PRO A 4 12.685 -0.925 -10.428 1.00 0.00 O ATOM 62 CB PRO A 4 13.946 -1.116 -13.297 1.00 0.00 C ATOM 63 CG PRO A 4 14.017 -0.088 -14.324 1.00 0.00 C ATOM 64 CD PRO A 4 13.461 1.071 -13.654 1.00 0.00 C ATOM 0 HA PRO A 4 11.814 -1.526 -13.398 1.00 0.00 H new ATOM 0 HB2 PRO A 4 14.671 -0.949 -12.500 1.00 0.00 H new ATOM 0 HB3 PRO A 4 14.138 -2.111 -13.699 1.00 0.00 H new ATOM 0 HG2 PRO A 4 15.042 0.087 -14.652 1.00 0.00 H new ATOM 0 HG3 PRO A 4 13.441 -0.359 -15.209 1.00 0.00 H new ATOM 0 HD2 PRO A 4 14.184 1.555 -12.998 1.00 0.00 H new ATOM 0 HD3 PRO A 4 13.114 1.827 -14.358 1.00 0.00 H new ATOM 72 N GLY A 5 11.786 -2.724 -11.455 1.00 0.00 N ATOM 73 CA GLY A 5 11.501 -3.430 -10.240 1.00 0.00 C ATOM 74 C GLY A 5 10.396 -2.808 -9.382 1.00 0.00 C ATOM 75 O GLY A 5 9.949 -3.436 -8.425 1.00 0.00 O ATOM 0 H GLY A 5 11.516 -3.220 -12.304 1.00 0.00 H new ATOM 0 HA2 GLY A 5 11.217 -4.453 -10.488 1.00 0.00 H new ATOM 0 HA3 GLY A 5 12.414 -3.488 -9.647 1.00 0.00 H new ATOM 79 N TRP A 6 9.955 -1.580 -9.696 1.00 0.00 N ATOM 80 CA TRP A 6 8.923 -0.920 -8.906 1.00 0.00 C ATOM 81 C TRP A 6 7.525 -1.341 -9.311 1.00 0.00 C ATOM 82 O TRP A 6 7.220 -1.484 -10.497 1.00 0.00 O ATOM 83 CB TRP A 6 8.989 0.589 -9.086 1.00 0.00 C ATOM 84 CG TRP A 6 9.892 1.324 -8.185 1.00 0.00 C ATOM 85 CD1 TRP A 6 10.897 2.102 -8.581 1.00 0.00 C ATOM 86 CD2 TRP A 6 9.854 1.398 -6.780 1.00 0.00 C ATOM 87 NE1 TRP A 6 11.532 2.652 -7.509 1.00 0.00 N ATOM 88 CE2 TRP A 6 10.901 2.232 -6.375 1.00 0.00 C ATOM 89 CE3 TRP A 6 9.050 0.839 -5.828 1.00 0.00 C ATOM 90 CZ2 TRP A 6 11.136 2.506 -5.037 1.00 0.00 C ATOM 91 CZ3 TRP A 6 9.287 1.108 -4.521 1.00 0.00 C ATOM 92 CH2 TRP A 6 10.304 1.919 -4.134 1.00 0.00 C ATOM 0 H TRP A 6 10.298 -1.034 -10.486 1.00 0.00 H new ATOM 0 HA TRP A 6 9.114 -1.211 -7.873 1.00 0.00 H new ATOM 0 HB2 TRP A 6 9.290 0.796 -10.113 1.00 0.00 H new ATOM 0 HB3 TRP A 6 7.983 0.991 -8.962 1.00 0.00 H new ATOM 0 HD1 TRP A 6 11.171 2.274 -9.611 1.00 0.00 H new ATOM 0 HE1 TRP A 6 12.341 3.272 -7.548 1.00 0.00 H new ATOM 0 HE3 TRP A 6 8.235 0.190 -6.113 1.00 0.00 H new ATOM 0 HZ2 TRP A 6 11.941 3.155 -4.726 1.00 0.00 H new ATOM 0 HZ3 TRP A 6 8.651 0.666 -3.769 1.00 0.00 H new ATOM 0 HH2 TRP A 6 10.457 2.104 -3.081 1.00 0.00 H new ATOM 103 N GLU A 7 6.665 -1.470 -8.314 1.00 0.00 N ATOM 104 CA GLU A 7 5.271 -1.797 -8.538 1.00 0.00 C ATOM 105 C GLU A 7 4.433 -1.163 -7.439 1.00 0.00 C ATOM 106 O GLU A 7 4.665 -1.402 -6.252 1.00 0.00 O ATOM 107 CB GLU A 7 5.029 -3.315 -8.583 1.00 0.00 C ATOM 108 CG GLU A 7 6.185 -4.132 -9.151 1.00 0.00 C ATOM 109 CD GLU A 7 6.509 -5.350 -8.306 1.00 0.00 C ATOM 110 OE1 GLU A 7 5.892 -6.412 -8.534 1.00 0.00 O ATOM 111 OE2 GLU A 7 7.381 -5.241 -7.417 1.00 0.00 O ATOM 0 H GLU A 7 6.914 -1.351 -7.332 1.00 0.00 H new ATOM 0 HA GLU A 7 4.980 -1.402 -9.511 1.00 0.00 H new ATOM 0 HB2 GLU A 7 4.818 -3.665 -7.573 1.00 0.00 H new ATOM 0 HB3 GLU A 7 4.138 -3.509 -9.180 1.00 0.00 H new ATOM 0 HG2 GLU A 7 5.936 -4.452 -10.163 1.00 0.00 H new ATOM 0 HG3 GLU A 7 7.070 -3.500 -9.225 1.00 0.00 H new ATOM 118 N LYS A 8 3.471 -0.340 -7.841 1.00 0.00 N ATOM 119 CA LYS A 8 2.614 0.343 -6.887 1.00 0.00 C ATOM 120 C LYS A 8 1.640 -0.652 -6.246 1.00 0.00 C ATOM 121 O LYS A 8 0.932 -1.377 -6.948 1.00 0.00 O ATOM 122 CB LYS A 8 1.813 1.476 -7.586 1.00 0.00 C ATOM 123 CG LYS A 8 1.120 2.420 -6.607 1.00 0.00 C ATOM 124 CD LYS A 8 -0.391 2.391 -6.778 1.00 0.00 C ATOM 125 CE LYS A 8 -1.023 3.716 -6.379 1.00 0.00 C ATOM 126 NZ LYS A 8 -2.405 3.861 -6.918 1.00 0.00 N ATOM 0 H LYS A 8 3.268 -0.132 -8.819 1.00 0.00 H new ATOM 0 HA LYS A 8 3.245 0.781 -6.113 1.00 0.00 H new ATOM 0 HB2 LYS A 8 2.489 2.052 -8.218 1.00 0.00 H new ATOM 0 HB3 LYS A 8 1.065 1.031 -8.242 1.00 0.00 H new ATOM 0 HG2 LYS A 8 1.377 2.139 -5.586 1.00 0.00 H new ATOM 0 HG3 LYS A 8 1.485 3.436 -6.760 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -0.636 2.168 -7.816 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -0.811 1.589 -6.171 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -1.048 3.793 -5.292 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -0.404 4.537 -6.742 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -2.798 4.777 -6.623 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -2.379 3.814 -7.957 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -3.003 3.093 -6.551 1.00 0.00 H new ATOM 140 N ARG A 9 1.611 -0.678 -4.915 1.00 0.00 N ATOM 141 CA ARG A 9 0.724 -1.580 -4.177 1.00 0.00 C ATOM 142 C ARG A 9 -0.044 -0.818 -3.099 1.00 0.00 C ATOM 143 O ARG A 9 0.464 0.156 -2.545 1.00 0.00 O ATOM 144 CB ARG A 9 1.531 -2.716 -3.541 1.00 0.00 C ATOM 145 CG ARG A 9 0.804 -4.051 -3.533 1.00 0.00 C ATOM 146 CD ARG A 9 0.778 -4.685 -4.916 1.00 0.00 C ATOM 147 NE ARG A 9 2.079 -4.835 -5.479 1.00 0.00 N ATOM 148 CZ ARG A 9 2.829 -5.904 -5.318 1.00 0.00 C ATOM 149 NH1 ARG A 9 2.534 -6.847 -4.426 1.00 0.00 N ATOM 150 NH2 ARG A 9 3.877 -6.000 -6.068 1.00 0.00 N ATOM 0 H ARG A 9 2.192 -0.084 -4.323 1.00 0.00 H new ATOM 0 HA ARG A 9 0.007 -2.005 -4.880 1.00 0.00 H new ATOM 0 HB2 ARG A 9 2.472 -2.828 -4.080 1.00 0.00 H new ATOM 0 HB3 ARG A 9 1.782 -2.442 -2.516 1.00 0.00 H new ATOM 0 HG2 ARG A 9 1.292 -4.727 -2.832 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -0.217 -3.908 -3.179 1.00 0.00 H new ATOM 0 HD2 ARG A 9 0.299 -5.662 -4.854 1.00 0.00 H new ATOM 0 HD3 ARG A 9 0.168 -4.073 -5.580 1.00 0.00 H new ATOM 0 HE ARG A 9 2.450 -4.068 -6.040 1.00 0.00 H new ATOM 0 HH11 ARG A 9 1.704 -6.754 -3.841 1.00 0.00 H new ATOM 0 HH12 ARG A 9 3.138 -7.663 -4.328 1.00 0.00 H new ATOM 0 HH21 ARG A 9 4.089 -5.267 -6.745 1.00 0.00 H new ATOM 0 HH22 ARG A 9 4.492 -6.809 -5.983 1.00 0.00 H new ATOM 164 N CYS A 10 -1.273 -1.258 -2.805 1.00 0.00 N ATOM 165 CA CYS A 10 -2.092 -0.589 -1.790 1.00 0.00 C ATOM 166 C CYS A 10 -2.779 -1.574 -0.853 1.00 0.00 C ATOM 167 O CYS A 10 -3.625 -2.366 -1.276 1.00 0.00 O ATOM 168 CB CYS A 10 -3.150 0.309 -2.445 1.00 0.00 C ATOM 169 SG CYS A 10 -2.528 1.331 -3.820 1.00 0.00 S ATOM 0 H CYS A 10 -1.717 -2.062 -3.248 1.00 0.00 H new ATOM 0 HA CYS A 10 -1.409 0.019 -1.198 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -3.962 -0.318 -2.813 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -3.573 0.965 -1.684 1.00 0.00 H new ATOM 0 HG CYS A 10 -2.628 2.588 -3.506 1.00 0.00 H new ATOM 174 N PHE A 11 -2.432 -1.489 0.433 1.00 0.00 N ATOM 175 CA PHE A 11 -3.036 -2.340 1.450 1.00 0.00 C ATOM 176 C PHE A 11 -3.840 -1.486 2.433 1.00 0.00 C ATOM 177 O PHE A 11 -3.366 -0.445 2.897 1.00 0.00 O ATOM 178 CB PHE A 11 -1.970 -3.145 2.226 1.00 0.00 C ATOM 179 CG PHE A 11 -1.141 -2.314 3.164 1.00 0.00 C ATOM 180 CD1 PHE A 11 -1.613 -2.007 4.431 1.00 0.00 C ATOM 181 CD2 PHE A 11 0.105 -1.851 2.787 1.00 0.00 C ATOM 182 CE1 PHE A 11 -0.854 -1.251 5.303 1.00 0.00 C ATOM 183 CE2 PHE A 11 0.869 -1.092 3.653 1.00 0.00 C ATOM 184 CZ PHE A 11 0.389 -0.792 4.913 1.00 0.00 C ATOM 0 H PHE A 11 -1.734 -0.837 0.791 1.00 0.00 H new ATOM 0 HA PHE A 11 -3.694 -3.045 0.943 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -2.466 -3.931 2.795 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -1.309 -3.637 1.512 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -2.585 -2.363 4.740 1.00 0.00 H new ATOM 0 HD2 PHE A 11 0.486 -2.085 1.804 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -1.232 -1.019 6.288 1.00 0.00 H new ATOM 0 HE2 PHE A 11 1.840 -0.734 3.345 1.00 0.00 H new ATOM 0 HZ PHE A 11 0.984 -0.200 5.592 1.00 0.00 H new ATOM 194 N TYR A 12 -5.030 -1.951 2.782 1.00 0.00 N ATOM 195 CA TYR A 12 -5.860 -1.265 3.752 1.00 0.00 C ATOM 196 C TYR A 12 -5.376 -1.676 5.128 1.00 0.00 C ATOM 197 O TYR A 12 -5.026 -2.841 5.322 1.00 0.00 O ATOM 198 CB TYR A 12 -7.340 -1.647 3.594 1.00 0.00 C ATOM 199 CG TYR A 12 -8.062 -0.724 2.640 1.00 0.00 C ATOM 200 CD1 TYR A 12 -8.080 -0.979 1.274 1.00 0.00 C ATOM 201 CD2 TYR A 12 -8.711 0.412 3.089 1.00 0.00 C ATOM 202 CE1 TYR A 12 -8.715 -0.154 0.399 1.00 0.00 C ATOM 203 CE2 TYR A 12 -9.342 1.244 2.224 1.00 0.00 C ATOM 204 CZ TYR A 12 -9.353 0.971 0.873 1.00 0.00 C ATOM 205 OH TYR A 12 -9.996 1.824 0.004 1.00 0.00 O ATOM 0 H TYR A 12 -5.441 -2.805 2.404 1.00 0.00 H new ATOM 0 HA TYR A 12 -5.783 -0.188 3.605 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -7.413 -2.673 3.232 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -7.829 -1.617 4.568 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -7.576 -1.857 0.897 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -8.715 0.640 4.145 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -8.719 -0.379 -0.657 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -9.840 2.127 2.596 1.00 0.00 H new ATOM 0 HH TYR A 12 -9.711 1.632 -0.914 1.00 0.00 H new ATOM 215 N PHE A 13 -5.359 -0.761 6.083 1.00 0.00 N ATOM 216 CA PHE A 13 -4.935 -1.123 7.432 1.00 0.00 C ATOM 217 C PHE A 13 -6.056 -0.848 8.392 1.00 0.00 C ATOM 218 O PHE A 13 -6.485 0.295 8.556 1.00 0.00 O ATOM 219 CB PHE A 13 -3.682 -0.390 7.881 1.00 0.00 C ATOM 220 CG PHE A 13 -3.027 -1.062 9.057 1.00 0.00 C ATOM 221 CD1 PHE A 13 -2.227 -2.165 8.858 1.00 0.00 C ATOM 222 CD2 PHE A 13 -3.196 -0.588 10.351 1.00 0.00 C ATOM 223 CE1 PHE A 13 -1.607 -2.788 9.914 1.00 0.00 C ATOM 224 CE2 PHE A 13 -2.574 -1.197 11.415 1.00 0.00 C ATOM 225 CZ PHE A 13 -1.774 -2.303 11.200 1.00 0.00 C ATOM 0 H PHE A 13 -5.626 0.216 5.959 1.00 0.00 H new ATOM 0 HA PHE A 13 -4.688 -2.185 7.420 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -2.975 -0.339 7.053 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -3.937 0.636 8.146 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -2.085 -2.546 7.857 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -3.826 0.272 10.524 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -0.989 -3.657 9.741 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -2.710 -0.813 12.415 1.00 0.00 H new ATOM 0 HZ PHE A 13 -1.282 -2.787 12.031 1.00 0.00 H new ATOM 235 N ASN A 14 -6.529 -1.905 9.020 1.00 0.00 N ATOM 236 CA ASN A 14 -7.611 -1.784 9.958 1.00 0.00 C ATOM 237 C ASN A 14 -7.025 -1.610 11.344 1.00 0.00 C ATOM 238 O ASN A 14 -7.086 -2.519 12.155 1.00 0.00 O ATOM 239 CB ASN A 14 -8.542 -3.010 9.898 1.00 0.00 C ATOM 240 CG ASN A 14 -9.856 -2.811 10.629 1.00 0.00 C ATOM 241 OD1 ASN A 14 -10.336 -3.704 11.326 1.00 0.00 O ATOM 242 ND2 ASN A 14 -10.444 -1.646 10.467 1.00 0.00 N ATOM 0 H ASN A 14 -6.177 -2.854 8.894 1.00 0.00 H new ATOM 0 HA ASN A 14 -8.219 -0.915 9.705 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -8.749 -3.248 8.855 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -8.025 -3.870 10.325 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -11.333 -1.455 10.929 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -10.011 -0.933 9.880 1.00 0.00 H new ATOM 249 N ARG A 15 -6.403 -0.451 11.572 1.00 0.00 N ATOM 250 CA ARG A 15 -5.725 -0.142 12.838 1.00 0.00 C ATOM 251 C ARG A 15 -6.458 -0.660 14.084 1.00 0.00 C ATOM 252 O ARG A 15 -5.802 -0.918 15.097 1.00 0.00 O ATOM 253 CB ARG A 15 -5.401 1.359 12.952 1.00 0.00 C ATOM 254 CG ARG A 15 -5.751 1.987 14.294 1.00 0.00 C ATOM 255 CD ARG A 15 -4.934 3.246 14.554 1.00 0.00 C ATOM 256 NE ARG A 15 -3.579 2.935 15.011 1.00 0.00 N ATOM 257 CZ ARG A 15 -3.267 2.605 16.268 1.00 0.00 C ATOM 258 NH1 ARG A 15 -4.209 2.544 17.207 1.00 0.00 N ATOM 259 NH2 ARG A 15 -2.006 2.334 16.587 1.00 0.00 N ATOM 0 H ARG A 15 -6.354 0.302 10.885 1.00 0.00 H new ATOM 0 HA ARG A 15 -4.785 -0.693 12.808 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -4.336 1.502 12.766 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -5.936 1.893 12.166 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -6.813 2.231 14.316 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -5.573 1.266 15.091 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -4.882 3.839 13.641 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -5.438 3.857 15.303 1.00 0.00 H new ATOM 0 HE ARG A 15 -2.824 2.972 14.326 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -5.179 2.750 16.970 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -3.960 2.291 18.163 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -1.279 2.378 15.873 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -1.765 2.082 17.546 1.00 0.00 H new ATOM 273 N ILE A 16 -7.781 -0.881 14.029 1.00 0.00 N ATOM 274 CA ILE A 16 -8.470 -1.423 15.143 1.00 0.00 C ATOM 275 C ILE A 16 -7.963 -2.814 15.391 1.00 0.00 C ATOM 276 O ILE A 16 -7.561 -3.187 16.494 1.00 0.00 O ATOM 277 CB ILE A 16 -9.934 -1.495 14.848 1.00 0.00 C ATOM 278 CG1 ILE A 16 -10.558 -0.107 14.906 1.00 0.00 C ATOM 279 CG2 ILE A 16 -10.526 -2.432 15.846 1.00 0.00 C ATOM 280 CD1 ILE A 16 -9.634 1.043 15.273 1.00 0.00 C ATOM 0 H ILE A 16 -8.366 -0.684 13.217 1.00 0.00 H new ATOM 0 HA ILE A 16 -8.304 -0.791 16.016 1.00 0.00 H new ATOM 0 HB ILE A 16 -10.126 -1.864 13.841 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -10.999 0.108 13.933 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -11.374 -0.131 15.628 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -11.599 -2.519 15.672 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -10.061 -3.413 15.745 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -10.351 -2.050 16.852 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -10.199 1.975 15.280 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -9.210 0.868 16.262 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -8.830 1.111 14.541 1.00 0.00 H new ATOM 292 N THR A 17 -7.975 -3.552 14.305 1.00 0.00 N ATOM 293 CA THR A 17 -7.517 -4.900 14.270 1.00 0.00 C ATOM 294 C THR A 17 -6.129 -4.944 13.680 1.00 0.00 C ATOM 295 O THR A 17 -5.657 -5.995 13.243 1.00 0.00 O ATOM 296 CB THR A 17 -8.530 -5.699 13.482 1.00 0.00 C ATOM 297 OG1 THR A 17 -8.391 -5.480 12.092 1.00 0.00 O ATOM 298 CG2 THR A 17 -9.913 -5.300 13.916 1.00 0.00 C ATOM 0 H THR A 17 -8.314 -3.212 13.405 1.00 0.00 H new ATOM 0 HA THR A 17 -7.437 -5.336 15.266 1.00 0.00 H new ATOM 0 HB THR A 17 -8.361 -6.758 13.675 1.00 0.00 H new ATOM 0 HG1 THR A 17 -9.133 -4.925 11.773 1.00 0.00 H new ATOM 0 HG21 THR A 17 -10.650 -5.872 13.352 1.00 0.00 H new ATOM 0 HG22 THR A 17 -10.033 -5.503 14.980 1.00 0.00 H new ATOM 0 HG23 THR A 17 -10.060 -4.236 13.730 1.00 0.00 H new ATOM 306 N GLY A 18 -5.527 -3.737 13.622 1.00 0.00 N ATOM 307 CA GLY A 18 -4.230 -3.522 12.997 1.00 0.00 C ATOM 308 C GLY A 18 -4.036 -4.435 11.807 1.00 0.00 C ATOM 309 O GLY A 18 -2.922 -4.838 11.474 1.00 0.00 O ATOM 0 H GLY A 18 -5.939 -2.889 14.012 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -4.145 -2.483 12.679 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -3.439 -3.698 13.726 1.00 0.00 H new ATOM 313 N LYS A 19 -5.166 -4.785 11.199 1.00 0.00 N ATOM 314 CA LYS A 19 -5.214 -5.674 10.068 1.00 0.00 C ATOM 315 C LYS A 19 -4.739 -5.036 8.795 1.00 0.00 C ATOM 316 O LYS A 19 -4.766 -3.821 8.639 1.00 0.00 O ATOM 317 CB LYS A 19 -6.629 -6.127 9.839 1.00 0.00 C ATOM 318 CG LYS A 19 -6.944 -7.430 10.501 1.00 0.00 C ATOM 319 CD LYS A 19 -8.276 -7.995 10.030 1.00 0.00 C ATOM 320 CE LYS A 19 -8.093 -8.957 8.866 1.00 0.00 C ATOM 321 NZ LYS A 19 -9.379 -9.250 8.175 1.00 0.00 N ATOM 0 H LYS A 19 -6.083 -4.447 11.492 1.00 0.00 H new ATOM 0 HA LYS A 19 -4.551 -6.505 10.309 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -7.313 -5.364 10.210 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -6.805 -6.219 8.767 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -6.150 -8.146 10.290 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -6.969 -7.292 11.582 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -8.766 -8.511 10.856 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -8.933 -7.179 9.729 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -7.387 -8.532 8.152 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -7.657 -9.887 9.230 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -9.185 -9.662 7.240 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -9.932 -9.924 8.742 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -9.920 -8.369 8.060 1.00 0.00 H new ATOM 335 N ARG A 20 -4.357 -5.888 7.869 1.00 0.00 N ATOM 336 CA ARG A 20 -3.934 -5.447 6.568 1.00 0.00 C ATOM 337 C ARG A 20 -4.448 -6.349 5.483 1.00 0.00 C ATOM 338 O ARG A 20 -4.433 -7.578 5.596 1.00 0.00 O ATOM 339 CB ARG A 20 -2.433 -5.346 6.463 1.00 0.00 C ATOM 340 CG ARG A 20 -1.706 -6.686 6.448 1.00 0.00 C ATOM 341 CD ARG A 20 -1.411 -7.174 7.858 1.00 0.00 C ATOM 342 NE ARG A 20 -1.199 -8.621 7.909 1.00 0.00 N ATOM 343 CZ ARG A 20 -1.431 -9.376 8.987 1.00 0.00 C ATOM 344 NH1 ARG A 20 -1.885 -8.828 10.113 1.00 0.00 N ATOM 345 NH2 ARG A 20 -1.207 -10.685 8.939 1.00 0.00 N ATOM 0 H ARG A 20 -4.333 -6.899 8.000 1.00 0.00 H new ATOM 0 HA ARG A 20 -4.359 -4.452 6.434 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -2.181 -4.801 5.553 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -2.062 -4.756 7.301 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -2.313 -7.425 5.925 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -0.773 -6.589 5.892 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -0.526 -6.665 8.239 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -2.239 -6.907 8.514 1.00 0.00 H new ATOM 0 HE ARG A 20 -0.852 -9.083 7.068 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -2.059 -7.824 10.158 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -2.059 -9.413 10.931 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -0.859 -11.112 8.081 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -1.383 -11.263 9.761 1.00 0.00 H new ATOM 359 N GLN A 21 -4.898 -5.714 4.432 1.00 0.00 N ATOM 360 CA GLN A 21 -5.420 -6.409 3.290 1.00 0.00 C ATOM 361 C GLN A 21 -5.252 -5.544 2.065 1.00 0.00 C ATOM 362 O GLN A 21 -5.386 -4.329 2.153 1.00 0.00 O ATOM 363 CB GLN A 21 -6.886 -6.720 3.481 1.00 0.00 C ATOM 364 CG GLN A 21 -7.480 -6.096 4.712 1.00 0.00 C ATOM 365 CD GLN A 21 -8.888 -6.549 4.987 1.00 0.00 C ATOM 366 OE1 GLN A 21 -9.845 -5.967 4.295 1.00 0.00 O flip ATOM 367 NE2 GLN A 21 -9.116 -7.423 5.824 1.00 0.00 N flip ATOM 0 H GLN A 21 -4.912 -4.698 4.346 1.00 0.00 H new ATOM 0 HA GLN A 21 -4.875 -7.345 3.169 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -7.438 -6.375 2.607 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -7.015 -7.801 3.534 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -6.854 -6.336 5.571 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -7.469 -5.012 4.603 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -8.346 -7.849 6.339 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -10.075 -7.721 6.002 1.00 0.00 H new ATOM 376 N PHE A 22 -5.021 -6.144 0.915 1.00 0.00 N ATOM 377 CA PHE A 22 -4.909 -5.363 -0.314 1.00 0.00 C ATOM 378 C PHE A 22 -6.322 -5.082 -0.841 1.00 0.00 C ATOM 379 O PHE A 22 -6.594 -5.188 -2.039 1.00 0.00 O ATOM 380 CB PHE A 22 -4.111 -6.133 -1.358 1.00 0.00 C ATOM 381 CG PHE A 22 -2.644 -6.241 -1.044 1.00 0.00 C ATOM 382 CD1 PHE A 22 -1.836 -5.116 -1.031 1.00 0.00 C ATOM 383 CD2 PHE A 22 -2.070 -7.469 -0.760 1.00 0.00 C ATOM 384 CE1 PHE A 22 -0.498 -5.214 -0.742 1.00 0.00 C ATOM 385 CE2 PHE A 22 -0.731 -7.570 -0.471 1.00 0.00 C ATOM 386 CZ PHE A 22 0.052 -6.441 -0.463 1.00 0.00 C ATOM 0 H PHE A 22 -4.908 -7.151 0.799 1.00 0.00 H new ATOM 0 HA PHE A 22 -4.391 -4.426 -0.109 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -4.527 -7.136 -1.453 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -4.231 -5.645 -2.325 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -2.264 -4.149 -1.251 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -2.683 -8.358 -0.766 1.00 0.00 H new ATOM 0 HE1 PHE A 22 0.121 -4.329 -0.734 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -0.295 -8.533 -0.251 1.00 0.00 H new ATOM 0 HZ PHE A 22 1.105 -6.519 -0.236 1.00 0.00 H new ATOM 396 N GLU A 23 -7.227 -4.792 0.095 1.00 0.00 N ATOM 397 CA GLU A 23 -8.625 -4.571 -0.192 1.00 0.00 C ATOM 398 C GLU A 23 -9.237 -3.482 0.611 1.00 0.00 C ATOM 399 O GLU A 23 -8.939 -3.316 1.788 1.00 0.00 O ATOM 400 CB GLU A 23 -9.402 -5.825 0.180 1.00 0.00 C ATOM 401 CG GLU A 23 -10.637 -5.543 1.041 1.00 0.00 C ATOM 402 CD GLU A 23 -11.441 -6.791 1.369 1.00 0.00 C ATOM 403 OE1 GLU A 23 -11.611 -7.646 0.473 1.00 0.00 O ATOM 404 OE2 GLU A 23 -11.907 -6.910 2.521 1.00 0.00 O ATOM 0 H GLU A 23 -6.995 -4.705 1.085 1.00 0.00 H new ATOM 0 HA GLU A 23 -8.674 -4.309 -1.249 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -9.713 -6.335 -0.732 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -8.742 -6.506 0.717 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -10.322 -5.068 1.970 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -11.279 -4.832 0.521 1.00 0.00 H new ATOM 411 N ARG A 24 -10.232 -2.886 -0.016 1.00 0.00 N ATOM 412 CA ARG A 24 -11.075 -1.931 0.623 1.00 0.00 C ATOM 413 C ARG A 24 -12.151 -2.766 1.288 1.00 0.00 C ATOM 414 O ARG A 24 -13.008 -3.361 0.630 1.00 0.00 O ATOM 415 CB ARG A 24 -11.616 -0.951 -0.387 1.00 0.00 C ATOM 416 CG ARG A 24 -12.594 0.009 0.204 1.00 0.00 C ATOM 417 CD ARG A 24 -12.815 1.193 -0.713 1.00 0.00 C ATOM 418 NE ARG A 24 -12.873 2.453 0.017 1.00 0.00 N ATOM 419 CZ ARG A 24 -13.906 2.846 0.768 1.00 0.00 C ATOM 420 NH1 ARG A 24 -14.982 2.074 0.901 1.00 0.00 N ATOM 421 NH2 ARG A 24 -13.861 4.018 1.390 1.00 0.00 N ATOM 0 H ARG A 24 -10.469 -3.062 -0.992 1.00 0.00 H new ATOM 0 HA ARG A 24 -10.559 -1.313 1.358 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -10.788 -0.395 -0.826 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -12.097 -1.499 -1.197 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -13.542 -0.497 0.385 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -12.229 0.356 1.171 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -12.010 1.237 -1.447 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -13.743 1.053 -1.267 1.00 0.00 H new ATOM 0 HE ARG A 24 -12.070 3.078 -0.050 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -15.024 1.172 0.427 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -15.764 2.385 1.477 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -13.040 4.615 1.294 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -14.648 4.321 1.964 1.00 0.00 H new ATOM 435 N PRO A 25 -12.053 -2.869 2.608 1.00 0.00 N ATOM 436 CA PRO A 25 -12.941 -3.694 3.431 1.00 0.00 C ATOM 437 C PRO A 25 -14.396 -3.324 3.322 1.00 0.00 C ATOM 438 O PRO A 25 -14.744 -2.245 2.844 1.00 0.00 O ATOM 439 CB PRO A 25 -12.399 -3.527 4.830 1.00 0.00 C ATOM 440 CG PRO A 25 -11.034 -2.983 4.666 1.00 0.00 C ATOM 441 CD PRO A 25 -11.028 -2.196 3.405 1.00 0.00 C ATOM 0 HA PRO A 25 -12.939 -4.733 3.100 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -13.023 -2.850 5.414 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -12.380 -4.480 5.359 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -10.765 -2.354 5.514 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -10.301 -3.788 4.621 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -11.272 -1.148 3.579 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -10.054 -2.219 2.917 1.00 0.00 H new ATOM 449 N SER A 26 -15.224 -4.280 3.748 1.00 0.00 N ATOM 450 CA SER A 26 -16.686 -4.187 3.730 1.00 0.00 C ATOM 451 C SER A 26 -17.187 -2.783 3.686 1.00 0.00 C ATOM 452 O SER A 26 -18.073 -2.439 2.901 1.00 0.00 O ATOM 453 CB SER A 26 -17.245 -4.873 4.946 1.00 0.00 C ATOM 454 OG SER A 26 -18.656 -4.751 5.017 1.00 0.00 O ATOM 0 H SER A 26 -14.887 -5.165 4.126 1.00 0.00 H new ATOM 0 HA SER A 26 -17.022 -4.675 2.815 1.00 0.00 H new ATOM 0 HB2 SER A 26 -16.972 -5.928 4.926 1.00 0.00 H new ATOM 0 HB3 SER A 26 -16.797 -4.445 5.843 1.00 0.00 H new ATOM 0 HG SER A 26 -18.984 -5.210 5.818 1.00 0.00 H new ATOM 460 N ASP A 27 -16.565 -1.986 4.504 1.00 0.00 N ATOM 461 CA ASP A 27 -16.855 -0.577 4.575 1.00 0.00 C ATOM 462 C ASP A 27 -18.233 -0.267 5.180 1.00 0.00 C ATOM 463 O ASP A 27 -19.156 -1.099 5.042 1.00 0.00 O ATOM 464 CB ASP A 27 -16.701 -0.059 3.172 1.00 0.00 C ATOM 465 CG ASP A 27 -17.865 0.783 2.671 1.00 0.00 C ATOM 466 OD1 ASP A 27 -18.864 0.199 2.201 1.00 0.00 O ATOM 467 OD2 ASP A 27 -17.773 2.025 2.744 1.00 0.00 O ATOM 468 OXT ASP A 27 -18.372 0.813 5.792 1.00 0.00 O ATOM 0 H ASP A 27 -15.836 -2.294 5.147 1.00 0.00 H new ATOM 0 HA ASP A 27 -16.168 -0.076 5.257 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -15.790 0.537 3.118 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -16.568 -0.906 2.499 1.00 0.00 H new TER 473 ASP A 27 ATOM 474 N LYS B 1 -17.954 5.299 3.483 1.00 0.00 N ATOM 475 CA LYS B 1 -16.485 5.353 3.730 1.00 0.00 C ATOM 476 C LYS B 1 -16.001 4.118 4.490 1.00 0.00 C ATOM 477 O LYS B 1 -16.806 3.350 5.020 1.00 0.00 O ATOM 478 CB LYS B 1 -16.160 6.625 4.523 1.00 0.00 C ATOM 479 CG LYS B 1 -16.752 6.647 5.927 1.00 0.00 C ATOM 480 CD LYS B 1 -17.864 7.679 6.051 1.00 0.00 C ATOM 481 CE LYS B 1 -19.228 7.027 6.206 1.00 0.00 C ATOM 482 NZ LYS B 1 -19.252 6.012 7.298 1.00 0.00 N ATOM 0 H1 LYS B 1 -18.342 6.264 3.486 1.00 0.00 H new ATOM 0 H2 LYS B 1 -18.135 4.856 2.560 1.00 0.00 H new ATOM 0 H3 LYS B 1 -18.411 4.739 4.231 1.00 0.00 H new ATOM 0 HA LYS B 1 -15.968 5.370 2.770 1.00 0.00 H new ATOM 0 HB2 LYS B 1 -15.077 6.730 4.594 1.00 0.00 H new ATOM 0 HB3 LYS B 1 -16.528 7.489 3.971 1.00 0.00 H new ATOM 0 HG2 LYS B 1 -17.142 5.660 6.173 1.00 0.00 H new ATOM 0 HG3 LYS B 1 -15.967 6.869 6.650 1.00 0.00 H new ATOM 0 HD2 LYS B 1 -17.669 8.321 6.910 1.00 0.00 H new ATOM 0 HD3 LYS B 1 -17.866 8.319 5.168 1.00 0.00 H new ATOM 0 HE2 LYS B 1 -19.974 7.795 6.411 1.00 0.00 H new ATOM 0 HE3 LYS B 1 -19.510 6.552 5.266 1.00 0.00 H new ATOM 0 HZ1 LYS B 1 -20.214 5.943 7.687 1.00 0.00 H new ATOM 0 HZ2 LYS B 1 -18.965 5.087 6.919 1.00 0.00 H new ATOM 0 HZ3 LYS B 1 -18.594 6.297 8.051 1.00 0.00 H new ATOM 498 N LEU B 2 -14.679 3.937 4.542 1.00 0.00 N ATOM 499 CA LEU B 2 -14.073 2.810 5.232 1.00 0.00 C ATOM 500 C LEU B 2 -14.611 2.589 6.635 1.00 0.00 C ATOM 501 O LEU B 2 -14.981 3.528 7.344 1.00 0.00 O ATOM 502 CB LEU B 2 -12.600 3.049 5.390 1.00 0.00 C ATOM 503 CG LEU B 2 -11.729 2.783 4.183 1.00 0.00 C ATOM 504 CD1 LEU B 2 -10.325 3.173 4.539 1.00 0.00 C ATOM 505 CD2 LEU B 2 -11.775 1.326 3.780 1.00 0.00 C ATOM 0 H LEU B 2 -14.006 4.568 4.107 1.00 0.00 H new ATOM 0 HA LEU B 2 -14.305 1.939 4.620 1.00 0.00 H new ATOM 0 HB2 LEU B 2 -12.455 4.087 5.690 1.00 0.00 H new ATOM 0 HB3 LEU B 2 -12.242 2.427 6.210 1.00 0.00 H new ATOM 0 HG LEU B 2 -12.092 3.364 3.335 1.00 0.00 H new ATOM 0 HD11 LEU B 2 -9.670 2.993 3.687 1.00 0.00 H new ATOM 0 HD12 LEU B 2 -10.297 4.231 4.801 1.00 0.00 H new ATOM 0 HD13 LEU B 2 -9.987 2.580 5.388 1.00 0.00 H new ATOM 0 HD21 LEU B 2 -11.138 1.169 2.909 1.00 0.00 H new ATOM 0 HD22 LEU B 2 -11.420 0.709 4.605 1.00 0.00 H new ATOM 0 HD23 LEU B 2 -12.800 1.049 3.534 1.00 0.00 H new ATOM 517 N PRO B 3 -14.565 1.326 7.065 1.00 0.00 N ATOM 518 CA PRO B 3 -14.944 0.908 8.411 1.00 0.00 C ATOM 519 C PRO B 3 -13.949 1.428 9.412 1.00 0.00 C ATOM 520 O PRO B 3 -12.811 1.748 9.064 1.00 0.00 O ATOM 521 CB PRO B 3 -14.883 -0.605 8.379 1.00 0.00 C ATOM 522 CG PRO B 3 -14.766 -0.941 6.942 1.00 0.00 C ATOM 523 CD PRO B 3 -14.063 0.205 6.289 1.00 0.00 C ATOM 0 HA PRO B 3 -15.927 1.283 8.695 1.00 0.00 H new ATOM 0 HB2 PRO B 3 -14.030 -0.980 8.945 1.00 0.00 H new ATOM 0 HB3 PRO B 3 -15.777 -1.048 8.819 1.00 0.00 H new ATOM 0 HG2 PRO B 3 -14.207 -1.867 6.805 1.00 0.00 H new ATOM 0 HG3 PRO B 3 -15.750 -1.095 6.499 1.00 0.00 H new ATOM 0 HD2 PRO B 3 -12.979 0.113 6.354 1.00 0.00 H new ATOM 0 HD3 PRO B 3 -14.313 0.292 5.232 1.00 0.00 H new ATOM 531 N PRO B 4 -14.356 1.529 10.662 1.00 0.00 N ATOM 532 CA PRO B 4 -13.515 2.015 11.729 1.00 0.00 C ATOM 533 C PRO B 4 -12.168 1.371 11.782 1.00 0.00 C ATOM 534 O PRO B 4 -12.007 0.174 11.544 1.00 0.00 O ATOM 535 CB PRO B 4 -14.335 1.716 12.924 1.00 0.00 C ATOM 536 CG PRO B 4 -15.682 1.937 12.420 1.00 0.00 C ATOM 537 CD PRO B 4 -15.680 1.194 11.174 1.00 0.00 C ATOM 0 HA PRO B 4 -13.259 3.069 11.617 1.00 0.00 H new ATOM 0 HB2 PRO B 4 -14.191 0.694 13.274 1.00 0.00 H new ATOM 0 HB3 PRO B 4 -14.097 2.375 13.759 1.00 0.00 H new ATOM 0 HG2 PRO B 4 -16.439 1.567 13.111 1.00 0.00 H new ATOM 0 HG3 PRO B 4 -15.886 2.996 12.260 1.00 0.00 H new ATOM 0 HD2 PRO B 4 -15.804 0.123 11.331 1.00 0.00 H new ATOM 0 HD3 PRO B 4 -16.477 1.512 10.501 1.00 0.00 H new ATOM 545 N GLY B 5 -11.207 2.206 12.094 1.00 0.00 N ATOM 546 CA GLY B 5 -9.845 1.777 12.181 1.00 0.00 C ATOM 547 C GLY B 5 -9.172 1.535 10.827 1.00 0.00 C ATOM 548 O GLY B 5 -7.947 1.469 10.764 1.00 0.00 O ATOM 0 H GLY B 5 -11.352 3.196 12.293 1.00 0.00 H new ATOM 0 HA2 GLY B 5 -9.274 2.527 12.728 1.00 0.00 H new ATOM 0 HA3 GLY B 5 -9.803 0.857 12.764 1.00 0.00 H new ATOM 552 N TRP B 6 -9.952 1.397 9.739 1.00 0.00 N ATOM 553 CA TRP B 6 -9.377 1.149 8.420 1.00 0.00 C ATOM 554 C TRP B 6 -8.845 2.421 7.792 1.00 0.00 C ATOM 555 O TRP B 6 -9.365 3.516 8.019 1.00 0.00 O ATOM 556 CB TRP B 6 -10.418 0.572 7.462 1.00 0.00 C ATOM 557 CG TRP B 6 -10.571 -0.899 7.460 1.00 0.00 C ATOM 558 CD1 TRP B 6 -11.718 -1.537 7.678 1.00 0.00 C ATOM 559 CD2 TRP B 6 -9.612 -1.896 7.180 1.00 0.00 C ATOM 560 NE1 TRP B 6 -11.549 -2.882 7.639 1.00 0.00 N ATOM 561 CE2 TRP B 6 -10.256 -3.140 7.317 1.00 0.00 C ATOM 562 CE3 TRP B 6 -8.281 -1.877 6.846 1.00 0.00 C ATOM 563 CZ2 TRP B 6 -9.586 -4.340 7.120 1.00 0.00 C ATOM 564 CZ3 TRP B 6 -7.624 -3.060 6.649 1.00 0.00 C ATOM 565 CH2 TRP B 6 -8.260 -4.264 6.784 1.00 0.00 C ATOM 0 H TRP B 6 -10.970 1.454 9.754 1.00 0.00 H new ATOM 0 HA TRP B 6 -8.564 0.440 8.575 1.00 0.00 H new ATOM 0 HB2 TRP B 6 -11.385 1.015 7.702 1.00 0.00 H new ATOM 0 HB3 TRP B 6 -10.164 0.890 6.451 1.00 0.00 H new ATOM 0 HD1 TRP B 6 -12.662 -1.047 7.862 1.00 0.00 H new ATOM 0 HE1 TRP B 6 -12.270 -3.580 7.821 1.00 0.00 H new ATOM 0 HE3 TRP B 6 -7.758 -0.938 6.740 1.00 0.00 H new ATOM 0 HZ2 TRP B 6 -10.088 -5.291 7.227 1.00 0.00 H new ATOM 0 HZ3 TRP B 6 -6.578 -3.044 6.380 1.00 0.00 H new ATOM 0 HH2 TRP B 6 -7.704 -5.175 6.622 1.00 0.00 H new ATOM 576 N GLU B 7 -7.839 2.247 6.959 1.00 0.00 N ATOM 577 CA GLU B 7 -7.244 3.348 6.225 1.00 0.00 C ATOM 578 C GLU B 7 -6.546 2.813 4.985 1.00 0.00 C ATOM 579 O GLU B 7 -5.703 1.917 5.069 1.00 0.00 O ATOM 580 CB GLU B 7 -6.275 4.154 7.104 1.00 0.00 C ATOM 581 CG GLU B 7 -5.022 3.393 7.524 1.00 0.00 C ATOM 582 CD GLU B 7 -4.058 4.249 8.324 1.00 0.00 C ATOM 583 OE1 GLU B 7 -3.584 5.273 7.786 1.00 0.00 O ATOM 584 OE2 GLU B 7 -3.774 3.894 9.487 1.00 0.00 O ATOM 0 H GLU B 7 -7.411 1.341 6.771 1.00 0.00 H new ATOM 0 HA GLU B 7 -8.036 4.031 5.919 1.00 0.00 H new ATOM 0 HB2 GLU B 7 -5.976 5.052 6.564 1.00 0.00 H new ATOM 0 HB3 GLU B 7 -6.803 4.482 7.999 1.00 0.00 H new ATOM 0 HG2 GLU B 7 -5.311 2.526 8.118 1.00 0.00 H new ATOM 0 HG3 GLU B 7 -4.516 3.016 6.635 1.00 0.00 H new ATOM 591 N LYS B 8 -6.916 3.354 3.830 1.00 0.00 N ATOM 592 CA LYS B 8 -6.336 2.916 2.574 1.00 0.00 C ATOM 593 C LYS B 8 -4.939 3.522 2.414 1.00 0.00 C ATOM 594 O LYS B 8 -4.779 4.744 2.447 1.00 0.00 O ATOM 595 CB LYS B 8 -7.232 3.344 1.381 1.00 0.00 C ATOM 596 CG LYS B 8 -6.854 2.661 0.072 1.00 0.00 C ATOM 597 CD LYS B 8 -7.358 3.442 -1.131 1.00 0.00 C ATOM 598 CE LYS B 8 -6.916 2.802 -2.439 1.00 0.00 C ATOM 599 NZ LYS B 8 -7.853 1.732 -2.884 1.00 0.00 N ATOM 0 H LYS B 8 -7.613 4.094 3.741 1.00 0.00 H new ATOM 0 HA LYS B 8 -6.264 1.828 2.582 1.00 0.00 H new ATOM 0 HB2 LYS B 8 -8.272 3.116 1.616 1.00 0.00 H new ATOM 0 HB3 LYS B 8 -7.164 4.424 1.253 1.00 0.00 H new ATOM 0 HG2 LYS B 8 -5.770 2.560 0.013 1.00 0.00 H new ATOM 0 HG3 LYS B 8 -7.270 1.654 0.053 1.00 0.00 H new ATOM 0 HD2 LYS B 8 -8.446 3.496 -1.101 1.00 0.00 H new ATOM 0 HD3 LYS B 8 -6.987 4.466 -1.082 1.00 0.00 H new ATOM 0 HE2 LYS B 8 -6.847 3.568 -3.212 1.00 0.00 H new ATOM 0 HE3 LYS B 8 -5.918 2.382 -2.317 1.00 0.00 H new ATOM 0 HZ1 LYS B 8 -7.514 1.323 -3.778 1.00 0.00 H new ATOM 0 HZ2 LYS B 8 -7.900 0.988 -2.159 1.00 0.00 H new ATOM 0 HZ3 LYS B 8 -8.800 2.137 -3.026 1.00 0.00 H new ATOM 613 N ARG B 9 -3.935 2.665 2.247 1.00 0.00 N ATOM 614 CA ARG B 9 -2.551 3.120 2.090 1.00 0.00 C ATOM 615 C ARG B 9 -1.892 2.466 0.876 1.00 0.00 C ATOM 616 O ARG B 9 -2.180 1.312 0.558 1.00 0.00 O ATOM 617 CB ARG B 9 -1.747 2.808 3.357 1.00 0.00 C ATOM 618 CG ARG B 9 -0.332 3.368 3.341 1.00 0.00 C ATOM 619 CD ARG B 9 -0.327 4.878 3.513 1.00 0.00 C ATOM 620 NE ARG B 9 -0.938 5.290 4.732 1.00 0.00 N ATOM 621 CZ ARG B 9 -0.272 5.548 5.837 1.00 0.00 C ATOM 622 NH1 ARG B 9 1.016 5.244 5.975 1.00 0.00 N ATOM 623 NH2 ARG B 9 -0.930 6.110 6.796 1.00 0.00 N ATOM 0 H ARG B 9 -4.051 1.652 2.217 1.00 0.00 H new ATOM 0 HA ARG B 9 -2.564 4.198 1.930 1.00 0.00 H new ATOM 0 HB2 ARG B 9 -2.277 3.210 4.220 1.00 0.00 H new ATOM 0 HB3 ARG B 9 -1.698 1.727 3.488 1.00 0.00 H new ATOM 0 HG2 ARG B 9 0.251 2.908 4.139 1.00 0.00 H new ATOM 0 HG3 ARG B 9 0.153 3.107 2.401 1.00 0.00 H new ATOM 0 HD2 ARG B 9 0.701 5.240 3.485 1.00 0.00 H new ATOM 0 HD3 ARG B 9 -0.850 5.338 2.675 1.00 0.00 H new ATOM 0 HE ARG B 9 -1.953 5.391 4.749 1.00 0.00 H new ATOM 0 HH11 ARG B 9 1.519 4.796 5.209 1.00 0.00 H new ATOM 0 HH12 ARG B 9 1.500 5.459 6.847 1.00 0.00 H new ATOM 0 HH21 ARG B 9 -1.918 6.332 6.675 1.00 0.00 H new ATOM 0 HH22 ARG B 9 -0.461 6.332 7.674 1.00 0.00 H new ATOM 637 N CYS B 10 -1.009 3.210 0.199 1.00 0.00 N ATOM 638 CA CYS B 10 -0.320 2.685 -0.982 1.00 0.00 C ATOM 639 C CYS B 10 1.193 2.856 -0.892 1.00 0.00 C ATOM 640 O CYS B 10 1.706 3.978 -0.912 1.00 0.00 O ATOM 641 CB CYS B 10 -0.831 3.358 -2.262 1.00 0.00 C ATOM 642 SG CYS B 10 -2.646 3.389 -2.423 1.00 0.00 S ATOM 0 H CYS B 10 -0.758 4.167 0.447 1.00 0.00 H new ATOM 0 HA CYS B 10 -0.541 1.618 -1.018 1.00 0.00 H new ATOM 0 HB2 CYS B 10 -0.458 4.382 -2.293 1.00 0.00 H new ATOM 0 HB3 CYS B 10 -0.411 2.839 -3.124 1.00 0.00 H new ATOM 0 HG CYS B 10 -3.024 2.462 -3.252 1.00 0.00 H new ATOM 647 N PHE B 11 1.903 1.729 -0.831 1.00 0.00 N ATOM 648 CA PHE B 11 3.360 1.739 -0.784 1.00 0.00 C ATOM 649 C PHE B 11 3.921 1.162 -2.082 1.00 0.00 C ATOM 650 O PHE B 11 3.432 0.142 -2.576 1.00 0.00 O ATOM 651 CB PHE B 11 3.900 0.927 0.411 1.00 0.00 C ATOM 652 CG PHE B 11 3.770 -0.565 0.252 1.00 0.00 C ATOM 653 CD1 PHE B 11 4.717 -1.286 -0.478 1.00 0.00 C ATOM 654 CD2 PHE B 11 2.710 -1.254 0.834 1.00 0.00 C ATOM 655 CE1 PHE B 11 4.605 -2.663 -0.623 1.00 0.00 C ATOM 656 CE2 PHE B 11 2.594 -2.632 0.693 1.00 0.00 C ATOM 657 CZ PHE B 11 3.542 -3.336 -0.036 1.00 0.00 C ATOM 0 H PHE B 11 1.489 0.797 -0.813 1.00 0.00 H new ATOM 0 HA PHE B 11 3.680 2.774 -0.662 1.00 0.00 H new ATOM 0 HB2 PHE B 11 4.951 1.175 0.559 1.00 0.00 H new ATOM 0 HB3 PHE B 11 3.370 1.233 1.313 1.00 0.00 H new ATOM 0 HD1 PHE B 11 5.546 -0.767 -0.935 1.00 0.00 H new ATOM 0 HD2 PHE B 11 1.969 -0.712 1.402 1.00 0.00 H new ATOM 0 HE1 PHE B 11 5.343 -3.209 -1.191 1.00 0.00 H new ATOM 0 HE2 PHE B 11 1.767 -3.154 1.150 1.00 0.00 H new ATOM 0 HZ PHE B 11 3.453 -4.407 -0.147 1.00 0.00 H new ATOM 667 N TYR B 12 4.963 1.786 -2.613 1.00 0.00 N ATOM 668 CA TYR B 12 5.597 1.289 -3.819 1.00 0.00 C ATOM 669 C TYR B 12 6.626 0.255 -3.418 1.00 0.00 C ATOM 670 O TYR B 12 7.284 0.408 -2.386 1.00 0.00 O ATOM 671 CB TYR B 12 6.269 2.415 -4.607 1.00 0.00 C ATOM 672 CG TYR B 12 5.323 3.019 -5.612 1.00 0.00 C ATOM 673 CD1 TYR B 12 4.444 4.042 -5.241 1.00 0.00 C ATOM 674 CD2 TYR B 12 5.271 2.561 -6.929 1.00 0.00 C ATOM 675 CE1 TYR B 12 3.566 4.591 -6.129 1.00 0.00 C ATOM 676 CE2 TYR B 12 4.393 3.099 -7.822 1.00 0.00 C ATOM 677 CZ TYR B 12 3.533 4.121 -7.435 1.00 0.00 C ATOM 678 OH TYR B 12 2.646 4.656 -8.345 1.00 0.00 O ATOM 0 H TYR B 12 5.383 2.632 -2.228 1.00 0.00 H new ATOM 0 HA TYR B 12 4.838 0.849 -4.466 1.00 0.00 H new ATOM 0 HB2 TYR B 12 6.614 3.187 -3.920 1.00 0.00 H new ATOM 0 HB3 TYR B 12 7.149 2.028 -5.120 1.00 0.00 H new ATOM 0 HD1 TYR B 12 4.461 4.407 -4.225 1.00 0.00 H new ATOM 0 HD2 TYR B 12 5.935 1.770 -7.245 1.00 0.00 H new ATOM 0 HE1 TYR B 12 2.902 5.384 -5.819 1.00 0.00 H new ATOM 0 HE2 TYR B 12 4.365 2.729 -8.836 1.00 0.00 H new ATOM 0 HH TYR B 12 2.758 4.212 -9.211 1.00 0.00 H new ATOM 688 N PHE B 13 6.782 -0.787 -4.216 1.00 0.00 N ATOM 689 CA PHE B 13 7.770 -1.811 -3.906 1.00 0.00 C ATOM 690 C PHE B 13 8.723 -1.974 -5.053 1.00 0.00 C ATOM 691 O PHE B 13 8.333 -2.384 -6.148 1.00 0.00 O ATOM 692 CB PHE B 13 7.120 -3.148 -3.606 1.00 0.00 C ATOM 693 CG PHE B 13 8.039 -4.078 -2.873 1.00 0.00 C ATOM 694 CD1 PHE B 13 8.138 -3.996 -1.497 1.00 0.00 C ATOM 695 CD2 PHE B 13 8.781 -5.054 -3.545 1.00 0.00 C ATOM 696 CE1 PHE B 13 8.956 -4.853 -0.792 1.00 0.00 C ATOM 697 CE2 PHE B 13 9.594 -5.928 -2.852 1.00 0.00 C ATOM 698 CZ PHE B 13 9.687 -5.830 -1.467 1.00 0.00 C ATOM 0 H PHE B 13 6.248 -0.947 -5.070 1.00 0.00 H new ATOM 0 HA PHE B 13 8.308 -1.483 -3.017 1.00 0.00 H new ATOM 0 HB2 PHE B 13 6.221 -2.987 -3.011 1.00 0.00 H new ATOM 0 HB3 PHE B 13 6.805 -3.614 -4.540 1.00 0.00 H new ATOM 0 HD1 PHE B 13 7.566 -3.249 -0.966 1.00 0.00 H new ATOM 0 HD2 PHE B 13 8.717 -5.125 -4.621 1.00 0.00 H new ATOM 0 HE1 PHE B 13 9.031 -4.768 0.282 1.00 0.00 H new ATOM 0 HE2 PHE B 13 10.155 -6.684 -3.382 1.00 0.00 H new ATOM 0 HZ PHE B 13 10.323 -6.508 -0.917 1.00 0.00 H new ATOM 708 N ASN B 14 9.980 -1.674 -4.792 1.00 0.00 N ATOM 709 CA ASN B 14 10.982 -1.812 -5.800 1.00 0.00 C ATOM 710 C ASN B 14 11.610 -3.170 -5.656 1.00 0.00 C ATOM 711 O ASN B 14 12.656 -3.286 -5.045 1.00 0.00 O ATOM 712 CB ASN B 14 12.076 -0.741 -5.722 1.00 0.00 C ATOM 713 CG ASN B 14 12.458 -0.307 -4.325 1.00 0.00 C ATOM 714 OD1 ASN B 14 12.119 -0.960 -3.354 1.00 0.00 O ATOM 715 ND2 ASN B 14 13.202 0.797 -4.225 1.00 0.00 N ATOM 0 H ASN B 14 10.319 -1.336 -3.891 1.00 0.00 H new ATOM 0 HA ASN B 14 10.494 -1.689 -6.767 1.00 0.00 H new ATOM 0 HB2 ASN B 14 12.967 -1.118 -6.224 1.00 0.00 H new ATOM 0 HB3 ASN B 14 11.744 0.135 -6.279 1.00 0.00 H new ATOM 0 HD21 ASN B 14 13.509 1.124 -3.309 1.00 0.00 H new ATOM 0 HD22 ASN B 14 13.463 1.314 -5.065 1.00 0.00 H new ATOM 722 N ARG B 15 10.956 -4.197 -6.184 1.00 0.00 N ATOM 723 CA ARG B 15 11.457 -5.559 -6.067 1.00 0.00 C ATOM 724 C ARG B 15 12.955 -5.665 -6.406 1.00 0.00 C ATOM 725 O ARG B 15 13.605 -6.625 -5.985 1.00 0.00 O ATOM 726 CB ARG B 15 10.588 -6.538 -6.869 1.00 0.00 C ATOM 727 CG ARG B 15 11.335 -7.732 -7.438 1.00 0.00 C ATOM 728 CD ARG B 15 10.483 -8.995 -7.392 1.00 0.00 C ATOM 729 NE ARG B 15 10.193 -9.411 -6.019 1.00 0.00 N ATOM 730 CZ ARG B 15 11.086 -9.975 -5.200 1.00 0.00 C ATOM 731 NH1 ARG B 15 12.330 -10.210 -5.611 1.00 0.00 N ATOM 732 NH2 ARG B 15 10.731 -10.307 -3.963 1.00 0.00 N ATOM 0 H ARG B 15 10.078 -4.112 -6.697 1.00 0.00 H new ATOM 0 HA ARG B 15 11.377 -5.850 -5.020 1.00 0.00 H new ATOM 0 HB2 ARG B 15 9.786 -6.901 -6.226 1.00 0.00 H new ATOM 0 HB3 ARG B 15 10.118 -5.996 -7.690 1.00 0.00 H new ATOM 0 HG2 ARG B 15 11.625 -7.524 -8.468 1.00 0.00 H new ATOM 0 HG3 ARG B 15 12.254 -7.891 -6.874 1.00 0.00 H new ATOM 0 HD2 ARG B 15 9.547 -8.821 -7.923 1.00 0.00 H new ATOM 0 HD3 ARG B 15 11.000 -9.800 -7.913 1.00 0.00 H new ATOM 0 HE ARG B 15 9.249 -9.261 -5.664 1.00 0.00 H new ATOM 0 HH11 ARG B 15 12.610 -9.959 -6.559 1.00 0.00 H new ATOM 0 HH12 ARG B 15 13.004 -10.641 -4.978 1.00 0.00 H new ATOM 0 HH21 ARG B 15 9.779 -10.131 -3.641 1.00 0.00 H new ATOM 0 HH22 ARG B 15 11.410 -10.738 -3.336 1.00 0.00 H new ATOM 746 N ILE B 16 13.541 -4.652 -7.079 1.00 0.00 N ATOM 747 CA ILE B 16 14.936 -4.651 -7.337 1.00 0.00 C ATOM 748 C ILE B 16 15.662 -4.538 -6.025 1.00 0.00 C ATOM 749 O ILE B 16 16.500 -5.365 -5.661 1.00 0.00 O ATOM 750 CB ILE B 16 15.298 -3.475 -8.185 1.00 0.00 C ATOM 751 CG1 ILE B 16 14.857 -3.704 -9.624 1.00 0.00 C ATOM 752 CG2 ILE B 16 16.774 -3.296 -8.059 1.00 0.00 C ATOM 753 CD1 ILE B 16 14.274 -5.070 -9.946 1.00 0.00 C ATOM 0 H ILE B 16 13.041 -3.839 -7.440 1.00 0.00 H new ATOM 0 HA ILE B 16 15.211 -5.569 -7.856 1.00 0.00 H new ATOM 0 HB ILE B 16 14.790 -2.567 -7.859 1.00 0.00 H new ATOM 0 HG12 ILE B 16 14.114 -2.948 -9.877 1.00 0.00 H new ATOM 0 HG13 ILE B 16 15.716 -3.538 -10.274 1.00 0.00 H new ATOM 0 HG21 ILE B 16 17.090 -2.445 -8.663 1.00 0.00 H new ATOM 0 HG22 ILE B 16 17.031 -3.116 -7.015 1.00 0.00 H new ATOM 0 HG23 ILE B 16 17.281 -4.196 -8.407 1.00 0.00 H new ATOM 0 HD11 ILE B 16 13.998 -5.109 -11.000 1.00 0.00 H new ATOM 0 HD12 ILE B 16 15.016 -5.841 -9.736 1.00 0.00 H new ATOM 0 HD13 ILE B 16 13.389 -5.242 -9.333 1.00 0.00 H new ATOM 765 N THR B 17 15.255 -3.511 -5.302 1.00 0.00 N ATOM 766 CA THR B 17 15.755 -3.239 -3.988 1.00 0.00 C ATOM 767 C THR B 17 14.799 -3.823 -2.979 1.00 0.00 C ATOM 768 O THR B 17 14.864 -3.512 -1.790 1.00 0.00 O ATOM 769 CB THR B 17 15.953 -1.743 -3.820 1.00 0.00 C ATOM 770 OG1 THR B 17 14.820 -1.128 -3.243 1.00 0.00 O ATOM 771 CG2 THR B 17 16.268 -1.102 -5.152 1.00 0.00 C ATOM 0 H THR B 17 14.558 -2.840 -5.625 1.00 0.00 H new ATOM 0 HA THR B 17 16.728 -3.704 -3.831 1.00 0.00 H new ATOM 0 HB THR B 17 16.794 -1.597 -3.142 1.00 0.00 H new ATOM 0 HG1 THR B 17 15.063 -0.237 -2.915 1.00 0.00 H new ATOM 0 HG21 THR B 17 16.407 -0.030 -5.016 1.00 0.00 H new ATOM 0 HG22 THR B 17 17.181 -1.538 -5.559 1.00 0.00 H new ATOM 0 HG23 THR B 17 15.444 -1.276 -5.843 1.00 0.00 H new ATOM 779 N GLY B 18 13.883 -4.648 -3.522 1.00 0.00 N ATOM 780 CA GLY B 18 12.812 -5.266 -2.774 1.00 0.00 C ATOM 781 C GLY B 18 12.435 -4.457 -1.567 1.00 0.00 C ATOM 782 O GLY B 18 12.135 -5.008 -0.506 1.00 0.00 O ATOM 0 H GLY B 18 13.881 -4.897 -4.511 1.00 0.00 H new ATOM 0 HA2 GLY B 18 11.941 -5.385 -3.418 1.00 0.00 H new ATOM 0 HA3 GLY B 18 13.116 -6.265 -2.461 1.00 0.00 H new ATOM 786 N LYS B 19 12.482 -3.132 -1.722 1.00 0.00 N ATOM 787 CA LYS B 19 12.166 -2.252 -0.623 1.00 0.00 C ATOM 788 C LYS B 19 10.850 -1.526 -0.853 1.00 0.00 C ATOM 789 O LYS B 19 10.276 -1.570 -1.941 1.00 0.00 O ATOM 790 CB LYS B 19 13.329 -1.303 -0.362 1.00 0.00 C ATOM 791 CG LYS B 19 13.195 0.011 -1.071 1.00 0.00 C ATOM 792 CD LYS B 19 13.850 1.147 -0.300 1.00 0.00 C ATOM 793 CE LYS B 19 12.981 1.610 0.861 1.00 0.00 C ATOM 794 NZ LYS B 19 12.370 2.945 0.606 1.00 0.00 N ATOM 0 H LYS B 19 12.734 -2.661 -2.591 1.00 0.00 H new ATOM 0 HA LYS B 19 12.024 -2.848 0.278 1.00 0.00 H new ATOM 0 HB2 LYS B 19 13.408 -1.123 0.710 1.00 0.00 H new ATOM 0 HB3 LYS B 19 14.257 -1.783 -0.674 1.00 0.00 H new ATOM 0 HG2 LYS B 19 13.647 -0.063 -2.060 1.00 0.00 H new ATOM 0 HG3 LYS B 19 12.139 0.236 -1.220 1.00 0.00 H new ATOM 0 HD2 LYS B 19 14.819 0.820 0.078 1.00 0.00 H new ATOM 0 HD3 LYS B 19 14.036 1.984 -0.973 1.00 0.00 H new ATOM 0 HE2 LYS B 19 12.192 0.879 1.037 1.00 0.00 H new ATOM 0 HE3 LYS B 19 13.583 1.655 1.769 1.00 0.00 H new ATOM 0 HZ1 LYS B 19 11.390 2.950 0.954 1.00 0.00 H new ATOM 0 HZ2 LYS B 19 12.917 3.678 1.101 1.00 0.00 H new ATOM 0 HZ3 LYS B 19 12.376 3.140 -0.416 1.00 0.00 H new ATOM 808 N ARG B 20 10.343 -0.911 0.198 1.00 0.00 N ATOM 809 CA ARG B 20 9.068 -0.227 0.119 1.00 0.00 C ATOM 810 C ARG B 20 9.119 1.217 0.564 1.00 0.00 C ATOM 811 O ARG B 20 9.858 1.590 1.478 1.00 0.00 O ATOM 812 CB ARG B 20 8.037 -0.971 0.954 1.00 0.00 C ATOM 813 CG ARG B 20 8.213 -0.801 2.458 1.00 0.00 C ATOM 814 CD ARG B 20 6.953 -0.254 3.110 1.00 0.00 C ATOM 815 NE ARG B 20 6.137 -1.313 3.708 1.00 0.00 N ATOM 816 CZ ARG B 20 4.872 -1.148 4.102 1.00 0.00 C ATOM 817 NH1 ARG B 20 4.266 0.027 3.957 1.00 0.00 N ATOM 818 NH2 ARG B 20 4.209 -2.165 4.643 1.00 0.00 N ATOM 0 H ARG B 20 10.793 -0.871 1.113 1.00 0.00 H new ATOM 0 HA ARG B 20 8.791 -0.220 -0.935 1.00 0.00 H new ATOM 0 HB2 ARG B 20 7.042 -0.626 0.674 1.00 0.00 H new ATOM 0 HB3 ARG B 20 8.086 -2.032 0.711 1.00 0.00 H new ATOM 0 HG2 ARG B 20 8.468 -1.761 2.906 1.00 0.00 H new ATOM 0 HG3 ARG B 20 9.047 -0.127 2.654 1.00 0.00 H new ATOM 0 HD2 ARG B 20 7.228 0.469 3.878 1.00 0.00 H new ATOM 0 HD3 ARG B 20 6.363 0.281 2.366 1.00 0.00 H new ATOM 0 HE ARG B 20 6.561 -2.233 3.831 1.00 0.00 H new ATOM 0 HH11 ARG B 20 4.768 0.812 3.542 1.00 0.00 H new ATOM 0 HH12 ARG B 20 3.299 0.143 4.261 1.00 0.00 H new ATOM 0 HH21 ARG B 20 4.667 -3.069 4.757 1.00 0.00 H new ATOM 0 HH22 ARG B 20 3.243 -2.041 4.945 1.00 0.00 H new ATOM 832 N GLN B 21 8.286 2.013 -0.089 1.00 0.00 N ATOM 833 CA GLN B 21 8.162 3.417 0.215 1.00 0.00 C ATOM 834 C GLN B 21 6.718 3.852 0.021 1.00 0.00 C ATOM 835 O GLN B 21 6.040 3.348 -0.871 1.00 0.00 O ATOM 836 CB GLN B 21 9.050 4.252 -0.681 1.00 0.00 C ATOM 837 CG GLN B 21 9.726 3.478 -1.774 1.00 0.00 C ATOM 838 CD GLN B 21 10.818 4.257 -2.463 1.00 0.00 C ATOM 839 OE1 GLN B 21 11.990 4.144 -2.106 1.00 0.00 O ATOM 840 NE2 GLN B 21 10.456 5.051 -3.451 1.00 0.00 N ATOM 0 H GLN B 21 7.679 1.696 -0.845 1.00 0.00 H new ATOM 0 HA GLN B 21 8.470 3.568 1.250 1.00 0.00 H new ATOM 0 HB2 GLN B 21 8.451 5.045 -1.130 1.00 0.00 H new ATOM 0 HB3 GLN B 21 9.812 4.735 -0.069 1.00 0.00 H new ATOM 0 HG2 GLN B 21 10.148 2.564 -1.356 1.00 0.00 H new ATOM 0 HG3 GLN B 21 8.982 3.177 -2.512 1.00 0.00 H new ATOM 0 HE21 GLN B 21 9.474 5.118 -3.718 1.00 0.00 H new ATOM 0 HE22 GLN B 21 11.158 5.599 -3.949 1.00 0.00 H new ATOM 849 N PHE B 22 6.255 4.817 0.804 1.00 0.00 N ATOM 850 CA PHE B 22 4.892 5.330 0.637 1.00 0.00 C ATOM 851 C PHE B 22 4.908 6.429 -0.433 1.00 0.00 C ATOM 852 O PHE B 22 4.284 7.483 -0.289 1.00 0.00 O ATOM 853 CB PHE B 22 4.380 5.900 1.953 1.00 0.00 C ATOM 854 CG PHE B 22 4.074 4.856 2.991 1.00 0.00 C ATOM 855 CD1 PHE B 22 3.117 3.873 2.753 1.00 0.00 C ATOM 856 CD2 PHE B 22 4.744 4.851 4.211 1.00 0.00 C ATOM 857 CE1 PHE B 22 2.837 2.914 3.706 1.00 0.00 C ATOM 858 CE2 PHE B 22 4.466 3.893 5.167 1.00 0.00 C ATOM 859 CZ PHE B 22 3.513 2.927 4.912 1.00 0.00 C ATOM 0 H PHE B 22 6.790 5.258 1.552 1.00 0.00 H new ATOM 0 HA PHE B 22 4.231 4.519 0.330 1.00 0.00 H new ATOM 0 HB2 PHE B 22 5.124 6.589 2.353 1.00 0.00 H new ATOM 0 HB3 PHE B 22 3.478 6.481 1.760 1.00 0.00 H new ATOM 0 HD1 PHE B 22 2.587 3.861 1.812 1.00 0.00 H new ATOM 0 HD2 PHE B 22 5.490 5.605 4.413 1.00 0.00 H new ATOM 0 HE1 PHE B 22 2.093 2.156 3.510 1.00 0.00 H new ATOM 0 HE2 PHE B 22 4.992 3.900 6.110 1.00 0.00 H new ATOM 0 HZ PHE B 22 3.294 2.178 5.658 1.00 0.00 H new ATOM 869 N GLU B 23 5.693 6.175 -1.473 1.00 0.00 N ATOM 870 CA GLU B 23 5.916 7.099 -2.567 1.00 0.00 C ATOM 871 C GLU B 23 5.904 6.437 -3.886 1.00 0.00 C ATOM 872 O GLU B 23 6.253 5.274 -3.995 1.00 0.00 O ATOM 873 CB GLU B 23 7.318 7.691 -2.420 1.00 0.00 C ATOM 874 CG GLU B 23 8.193 7.527 -3.670 1.00 0.00 C ATOM 875 CD GLU B 23 9.595 8.082 -3.493 1.00 0.00 C ATOM 876 OE1 GLU B 23 10.236 7.774 -2.465 1.00 0.00 O ATOM 877 OE2 GLU B 23 10.055 8.824 -4.387 1.00 0.00 O ATOM 0 H GLU B 23 6.203 5.298 -1.577 1.00 0.00 H new ATOM 0 HA GLU B 23 5.117 7.839 -2.522 1.00 0.00 H new ATOM 0 HB2 GLU B 23 7.232 8.752 -2.185 1.00 0.00 H new ATOM 0 HB3 GLU B 23 7.816 7.217 -1.574 1.00 0.00 H new ATOM 0 HG2 GLU B 23 8.257 6.469 -3.925 1.00 0.00 H new ATOM 0 HG3 GLU B 23 7.713 8.029 -4.510 1.00 0.00 H new ATOM 884 N ARG B 24 5.648 7.262 -4.892 1.00 0.00 N ATOM 885 CA ARG B 24 5.754 6.842 -6.242 1.00 0.00 C ATOM 886 C ARG B 24 7.115 7.298 -6.735 1.00 0.00 C ATOM 887 O ARG B 24 7.285 8.406 -7.246 1.00 0.00 O ATOM 888 CB ARG B 24 4.657 7.382 -7.104 1.00 0.00 C ATOM 889 CG ARG B 24 4.889 6.975 -8.519 1.00 0.00 C ATOM 890 CD ARG B 24 4.803 8.146 -9.468 1.00 0.00 C ATOM 891 NE ARG B 24 4.438 7.722 -10.815 1.00 0.00 N ATOM 892 CZ ARG B 24 3.182 7.579 -11.248 1.00 0.00 C ATOM 893 NH1 ARG B 24 2.153 7.828 -10.440 1.00 0.00 N ATOM 894 NH2 ARG B 24 2.954 7.180 -12.495 1.00 0.00 N ATOM 0 H ARG B 24 5.363 8.234 -4.774 1.00 0.00 H new ATOM 0 HA ARG B 24 5.654 5.758 -6.300 1.00 0.00 H new ATOM 0 HB2 ARG B 24 3.693 7.008 -6.760 1.00 0.00 H new ATOM 0 HB3 ARG B 24 4.622 8.469 -7.028 1.00 0.00 H new ATOM 0 HG2 ARG B 24 5.871 6.510 -8.606 1.00 0.00 H new ATOM 0 HG3 ARG B 24 4.154 6.223 -8.805 1.00 0.00 H new ATOM 0 HD2 ARG B 24 4.067 8.860 -9.099 1.00 0.00 H new ATOM 0 HD3 ARG B 24 5.762 8.663 -9.496 1.00 0.00 H new ATOM 0 HE ARG B 24 5.193 7.521 -11.471 1.00 0.00 H new ATOM 0 HH11 ARG B 24 2.320 8.131 -9.480 1.00 0.00 H new ATOM 0 HH12 ARG B 24 1.198 7.716 -10.781 1.00 0.00 H new ATOM 0 HH21 ARG B 24 3.737 6.984 -13.119 1.00 0.00 H new ATOM 0 HH22 ARG B 24 1.996 7.070 -12.828 1.00 0.00 H new ATOM 908 N PRO B 25 8.098 6.425 -6.521 1.00 0.00 N ATOM 909 CA PRO B 25 9.509 6.619 -6.853 1.00 0.00 C ATOM 910 C PRO B 25 9.764 7.422 -8.106 1.00 0.00 C ATOM 911 O PRO B 25 8.925 7.500 -9.003 1.00 0.00 O ATOM 912 CB PRO B 25 10.033 5.195 -6.960 1.00 0.00 C ATOM 913 CG PRO B 25 8.871 4.308 -6.644 1.00 0.00 C ATOM 914 CD PRO B 25 7.916 5.138 -5.885 1.00 0.00 C ATOM 0 HA PRO B 25 10.015 7.221 -6.098 1.00 0.00 H new ATOM 0 HB2 PRO B 25 10.418 4.994 -7.960 1.00 0.00 H new ATOM 0 HB3 PRO B 25 10.854 5.027 -6.263 1.00 0.00 H new ATOM 0 HG2 PRO B 25 8.414 3.924 -7.556 1.00 0.00 H new ATOM 0 HG3 PRO B 25 9.188 3.445 -6.059 1.00 0.00 H new ATOM 0 HD2 PRO B 25 6.892 4.775 -5.976 1.00 0.00 H new ATOM 0 HD3 PRO B 25 8.151 5.167 -4.821 1.00 0.00 H new ATOM 922 N SER B 26 10.950 8.033 -8.104 1.00 0.00 N ATOM 923 CA SER B 26 11.451 8.893 -9.179 1.00 0.00 C ATOM 924 C SER B 26 10.786 8.651 -10.489 1.00 0.00 C ATOM 925 O SER B 26 10.365 9.582 -11.179 1.00 0.00 O ATOM 926 CB SER B 26 12.934 8.691 -9.331 1.00 0.00 C ATOM 927 OG SER B 26 13.460 9.446 -10.411 1.00 0.00 O ATOM 0 H SER B 26 11.609 7.941 -7.331 1.00 0.00 H new ATOM 0 HA SER B 26 11.222 9.919 -8.892 1.00 0.00 H new ATOM 0 HB2 SER B 26 13.437 8.979 -8.408 1.00 0.00 H new ATOM 0 HB3 SER B 26 13.142 7.633 -9.491 1.00 0.00 H new ATOM 0 HG SER B 26 14.425 9.291 -10.479 1.00 0.00 H new ATOM 933 N ASP B 27 10.659 7.391 -10.781 1.00 0.00 N ATOM 934 CA ASP B 27 9.993 6.942 -11.976 1.00 0.00 C ATOM 935 C ASP B 27 10.771 7.255 -13.262 1.00 0.00 C ATOM 936 O ASP B 27 10.683 6.445 -14.209 1.00 0.00 O ATOM 937 CB ASP B 27 8.630 7.576 -11.947 1.00 0.00 C ATOM 938 CG ASP B 27 8.223 8.268 -13.238 1.00 0.00 C ATOM 939 OD1 ASP B 27 8.544 9.464 -13.400 1.00 0.00 O ATOM 940 OD2 ASP B 27 7.579 7.614 -14.084 1.00 0.00 O ATOM 941 OXT ASP B 27 11.460 8.297 -13.315 1.00 0.00 O ATOM 0 H ASP B 27 11.016 6.637 -10.195 1.00 0.00 H new ATOM 0 HA ASP B 27 9.920 5.855 -11.989 1.00 0.00 H new ATOM 0 HB2 ASP B 27 7.892 6.808 -11.714 1.00 0.00 H new ATOM 0 HB3 ASP B 27 8.600 8.303 -11.136 1.00 0.00 H new TER 946 ASP B 27