USER MOD reduce.3.24.130724 H: found=0, std=0, add=333, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 336 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 MET CE :methyl -159:sc= -0.267 (180deg=-1.13) USER MOD Single : A 1 MET N :NH3+ 141:sc= -1.8! (180deg=-3.45!) USER MOD Single : A 3 LYS NZ :NH3+ 145:sc= -12.7! (180deg=-15.8!) USER MOD Single : A 8 LYS NZ :NH3+ -178:sc= -3.98 (180deg=-4.17) USER MOD Single : A 10 ASN :FLIP amide:sc= 1.19 F(o=-0.3,f=1.2) USER MOD Single : B 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 16 THR OG1 : rot 90:sc= 1.08 USER MOD Single : B 18 HIS : no HD1:sc= -5.35! C(o=-5.3!,f=-7.7!) USER MOD Single : B 21 LYS NZ :NH3+ 167:sc=-0.00212 (180deg=-0.109) USER MOD Single : B 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 14.476 -4.710 -3.777 1.00 0.00 N ATOM 2 CA MET A 1 15.511 -3.856 -3.141 1.00 0.00 C ATOM 3 C MET A 1 16.032 -4.483 -1.851 1.00 0.00 C ATOM 4 O MET A 1 16.821 -5.428 -1.884 1.00 0.00 O ATOM 5 CB MET A 1 14.910 -2.473 -2.865 1.00 0.00 C ATOM 6 CG MET A 1 14.380 -1.777 -4.108 1.00 0.00 C ATOM 7 SD MET A 1 15.679 -1.404 -5.302 1.00 0.00 S ATOM 8 CE MET A 1 16.829 -0.490 -4.276 1.00 0.00 C ATOM 0 H1 MET A 1 13.724 -4.109 -4.170 1.00 0.00 H new ATOM 0 H2 MET A 1 14.908 -5.268 -4.541 1.00 0.00 H new ATOM 0 H3 MET A 1 14.071 -5.352 -3.066 1.00 0.00 H new ATOM 0 HA MET A 1 16.359 -3.761 -3.819 1.00 0.00 H new ATOM 0 HB2 MET A 1 14.099 -2.577 -2.144 1.00 0.00 H new ATOM 0 HB3 MET A 1 15.669 -1.843 -2.402 1.00 0.00 H new ATOM 0 HG2 MET A 1 13.628 -2.409 -4.581 1.00 0.00 H new ATOM 0 HG3 MET A 1 13.882 -0.852 -3.817 1.00 0.00 H new ATOM 0 HE1 MET A 1 17.477 0.118 -4.908 1.00 0.00 H new ATOM 0 HE2 MET A 1 16.275 0.157 -3.596 1.00 0.00 H new ATOM 0 HE3 MET A 1 17.436 -1.188 -3.699 1.00 0.00 H new ATOM 20 N TRP A 2 15.605 -3.937 -0.721 1.00 0.00 N ATOM 21 CA TRP A 2 16.033 -4.413 0.580 1.00 0.00 C ATOM 22 C TRP A 2 14.856 -5.019 1.355 1.00 0.00 C ATOM 23 O TRP A 2 14.496 -6.174 1.127 1.00 0.00 O ATOM 24 CB TRP A 2 16.646 -3.242 1.336 1.00 0.00 C ATOM 25 CG TRP A 2 16.676 -1.980 0.538 1.00 0.00 C ATOM 26 CD1 TRP A 2 17.757 -1.377 -0.022 1.00 0.00 C ATOM 27 CD2 TRP A 2 15.554 -1.163 0.227 1.00 0.00 C ATOM 28 NE1 TRP A 2 17.370 -0.223 -0.664 1.00 0.00 N ATOM 29 CE2 TRP A 2 16.015 -0.074 -0.516 1.00 0.00 C ATOM 30 CE3 TRP A 2 14.200 -1.249 0.509 1.00 0.00 C ATOM 31 CZ2 TRP A 2 15.154 0.916 -0.969 1.00 0.00 C ATOM 32 CZ3 TRP A 2 13.358 -0.265 0.063 1.00 0.00 C ATOM 33 CH2 TRP A 2 13.838 0.807 -0.666 1.00 0.00 C ATOM 0 H TRP A 2 14.953 -3.153 -0.684 1.00 0.00 H new ATOM 0 HA TRP A 2 16.775 -5.203 0.463 1.00 0.00 H new ATOM 0 HB2 TRP A 2 16.080 -3.072 2.252 1.00 0.00 H new ATOM 0 HB3 TRP A 2 17.662 -3.501 1.633 1.00 0.00 H new ATOM 0 HD1 TRP A 2 18.770 -1.748 0.029 1.00 0.00 H new ATOM 0 HE1 TRP A 2 17.988 0.415 -1.166 1.00 0.00 H new ATOM 0 HE3 TRP A 2 13.813 -2.083 1.075 1.00 0.00 H new ATOM 0 HZ2 TRP A 2 15.523 1.750 -1.547 1.00 0.00 H new ATOM 0 HZ3 TRP A 2 12.303 -0.328 0.284 1.00 0.00 H new ATOM 0 HH2 TRP A 2 13.152 1.571 -1.000 1.00 0.00 H new ATOM 44 N LYS A 3 14.235 -4.240 2.251 1.00 0.00 N ATOM 45 CA LYS A 3 13.087 -4.732 3.008 1.00 0.00 C ATOM 46 C LYS A 3 11.852 -4.638 2.153 1.00 0.00 C ATOM 47 O LYS A 3 10.827 -5.261 2.423 1.00 0.00 O ATOM 48 CB LYS A 3 12.872 -3.945 4.311 1.00 0.00 C ATOM 49 CG LYS A 3 12.205 -2.574 4.194 1.00 0.00 C ATOM 50 CD LYS A 3 12.763 -1.724 3.079 1.00 0.00 C ATOM 51 CE LYS A 3 11.813 -0.589 2.729 1.00 0.00 C ATOM 52 NZ LYS A 3 10.631 -1.072 1.968 1.00 0.00 N ATOM 0 H LYS A 3 14.507 -3.280 2.464 1.00 0.00 H new ATOM 0 HA LYS A 3 13.285 -5.769 3.280 1.00 0.00 H new ATOM 0 HB2 LYS A 3 12.270 -4.558 4.981 1.00 0.00 H new ATOM 0 HB3 LYS A 3 13.842 -3.810 4.789 1.00 0.00 H new ATOM 0 HG2 LYS A 3 11.136 -2.712 4.034 1.00 0.00 H new ATOM 0 HG3 LYS A 3 12.320 -2.041 5.138 1.00 0.00 H new ATOM 0 HD2 LYS A 3 13.729 -1.316 3.377 1.00 0.00 H new ATOM 0 HD3 LYS A 3 12.937 -2.342 2.198 1.00 0.00 H new ATOM 0 HE2 LYS A 3 11.480 -0.098 3.644 1.00 0.00 H new ATOM 0 HE3 LYS A 3 12.343 0.160 2.140 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 9.794 -0.517 2.238 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 10.805 -0.961 0.949 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 10.466 -2.076 2.184 1.00 0.00 H new ATOM 66 N VAL A 4 11.982 -3.829 1.127 1.00 0.00 N ATOM 67 CA VAL A 4 10.927 -3.576 0.195 1.00 0.00 C ATOM 68 C VAL A 4 10.228 -4.853 -0.236 1.00 0.00 C ATOM 69 O VAL A 4 9.012 -4.883 -0.352 1.00 0.00 O ATOM 70 CB VAL A 4 11.473 -2.858 -1.052 1.00 0.00 C ATOM 71 CG1 VAL A 4 12.065 -3.857 -2.033 1.00 0.00 C ATOM 72 CG2 VAL A 4 10.388 -2.049 -1.722 1.00 0.00 C ATOM 0 H VAL A 4 12.843 -3.323 0.920 1.00 0.00 H new ATOM 0 HA VAL A 4 10.201 -2.942 0.704 1.00 0.00 H new ATOM 0 HB VAL A 4 12.263 -2.179 -0.730 1.00 0.00 H new ATOM 0 HG11 VAL A 4 12.445 -3.328 -2.907 1.00 0.00 H new ATOM 0 HG12 VAL A 4 12.881 -4.398 -1.554 1.00 0.00 H new ATOM 0 HG13 VAL A 4 11.294 -4.563 -2.343 1.00 0.00 H new ATOM 0 HG21 VAL A 4 10.796 -1.550 -2.601 1.00 0.00 H new ATOM 0 HG22 VAL A 4 9.576 -2.710 -2.024 1.00 0.00 H new ATOM 0 HG23 VAL A 4 10.008 -1.302 -1.025 1.00 0.00 H new ATOM 82 N GLY A 5 11.014 -5.891 -0.504 1.00 0.00 N ATOM 83 CA GLY A 5 10.456 -7.142 -0.961 1.00 0.00 C ATOM 84 C GLY A 5 9.140 -7.472 -0.313 1.00 0.00 C ATOM 85 O GLY A 5 8.189 -7.863 -0.991 1.00 0.00 O ATOM 0 H GLY A 5 12.030 -5.884 -0.411 1.00 0.00 H new ATOM 0 HA2 GLY A 5 10.322 -7.100 -2.042 1.00 0.00 H new ATOM 0 HA3 GLY A 5 11.165 -7.945 -0.759 1.00 0.00 H new ATOM 89 N PHE A 6 9.066 -7.296 0.994 1.00 0.00 N ATOM 90 CA PHE A 6 7.834 -7.563 1.699 1.00 0.00 C ATOM 91 C PHE A 6 7.342 -6.320 2.422 1.00 0.00 C ATOM 92 O PHE A 6 6.388 -6.382 3.195 1.00 0.00 O ATOM 93 CB PHE A 6 8.004 -8.726 2.679 1.00 0.00 C ATOM 94 CG PHE A 6 8.856 -8.394 3.871 1.00 0.00 C ATOM 95 CD1 PHE A 6 10.239 -8.387 3.772 1.00 0.00 C ATOM 96 CD2 PHE A 6 8.273 -8.091 5.092 1.00 0.00 C ATOM 97 CE1 PHE A 6 11.024 -8.085 4.869 1.00 0.00 C ATOM 98 CE2 PHE A 6 9.054 -7.789 6.192 1.00 0.00 C ATOM 99 CZ PHE A 6 10.431 -7.785 6.080 1.00 0.00 C ATOM 0 H PHE A 6 9.836 -6.973 1.579 1.00 0.00 H new ATOM 0 HA PHE A 6 7.083 -7.848 0.962 1.00 0.00 H new ATOM 0 HB2 PHE A 6 7.021 -9.045 3.024 1.00 0.00 H new ATOM 0 HB3 PHE A 6 8.446 -9.571 2.152 1.00 0.00 H new ATOM 0 HD1 PHE A 6 10.708 -8.620 2.827 1.00 0.00 H new ATOM 0 HD2 PHE A 6 7.197 -8.091 5.185 1.00 0.00 H new ATOM 0 HE1 PHE A 6 12.100 -8.084 4.779 1.00 0.00 H new ATOM 0 HE2 PHE A 6 8.588 -7.556 7.138 1.00 0.00 H new ATOM 0 HZ PHE A 6 11.043 -7.548 6.938 1.00 0.00 H new ATOM 109 N PHE A 7 8.003 -5.195 2.175 1.00 0.00 N ATOM 110 CA PHE A 7 7.626 -3.946 2.818 1.00 0.00 C ATOM 111 C PHE A 7 6.719 -3.102 1.943 1.00 0.00 C ATOM 112 O PHE A 7 5.766 -2.496 2.431 1.00 0.00 O ATOM 113 CB PHE A 7 8.869 -3.150 3.181 1.00 0.00 C ATOM 114 CG PHE A 7 8.766 -2.452 4.509 1.00 0.00 C ATOM 115 CD1 PHE A 7 8.238 -3.100 5.615 1.00 0.00 C ATOM 116 CD2 PHE A 7 9.193 -1.143 4.648 1.00 0.00 C ATOM 117 CE1 PHE A 7 8.139 -2.453 6.831 1.00 0.00 C ATOM 118 CE2 PHE A 7 9.099 -0.491 5.859 1.00 0.00 C ATOM 119 CZ PHE A 7 8.571 -1.146 6.955 1.00 0.00 C ATOM 0 H PHE A 7 8.797 -5.124 1.538 1.00 0.00 H new ATOM 0 HA PHE A 7 7.072 -4.202 3.721 1.00 0.00 H new ATOM 0 HB2 PHE A 7 9.728 -3.820 3.197 1.00 0.00 H new ATOM 0 HB3 PHE A 7 9.057 -2.409 2.404 1.00 0.00 H new ATOM 0 HD1 PHE A 7 7.900 -4.122 5.525 1.00 0.00 H new ATOM 0 HD2 PHE A 7 9.606 -0.625 3.795 1.00 0.00 H new ATOM 0 HE1 PHE A 7 7.724 -2.968 7.685 1.00 0.00 H new ATOM 0 HE2 PHE A 7 9.438 0.530 5.951 1.00 0.00 H new ATOM 0 HZ PHE A 7 8.496 -0.638 7.905 1.00 0.00 H new ATOM 129 N LYS A 8 7.019 -3.046 0.656 1.00 0.00 N ATOM 130 CA LYS A 8 6.220 -2.253 -0.258 1.00 0.00 C ATOM 131 C LYS A 8 4.775 -2.744 -0.299 1.00 0.00 C ATOM 132 O LYS A 8 3.889 -2.068 -0.822 1.00 0.00 O ATOM 133 CB LYS A 8 6.857 -2.222 -1.651 1.00 0.00 C ATOM 134 CG LYS A 8 7.339 -3.562 -2.221 1.00 0.00 C ATOM 135 CD LYS A 8 6.593 -4.775 -1.680 1.00 0.00 C ATOM 136 CE LYS A 8 5.309 -5.045 -2.444 1.00 0.00 C ATOM 137 NZ LYS A 8 5.136 -4.132 -3.608 1.00 0.00 N ATOM 0 H LYS A 8 7.803 -3.536 0.225 1.00 0.00 H new ATOM 0 HA LYS A 8 6.195 -1.228 0.112 1.00 0.00 H new ATOM 0 HB2 LYS A 8 6.133 -1.798 -2.346 1.00 0.00 H new ATOM 0 HB3 LYS A 8 7.707 -1.540 -1.621 1.00 0.00 H new ATOM 0 HG2 LYS A 8 7.236 -3.541 -3.306 1.00 0.00 H new ATOM 0 HG3 LYS A 8 8.401 -3.676 -2.003 1.00 0.00 H new ATOM 0 HD2 LYS A 8 7.239 -5.651 -1.736 1.00 0.00 H new ATOM 0 HD3 LYS A 8 6.361 -4.617 -0.627 1.00 0.00 H new ATOM 0 HE2 LYS A 8 5.308 -6.078 -2.793 1.00 0.00 H new ATOM 0 HE3 LYS A 8 4.459 -4.935 -1.770 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 4.229 -4.334 -4.076 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 5.144 -3.145 -3.279 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 5.914 -4.278 -4.283 1.00 0.00 H new ATOM 151 N ARG A 9 4.544 -3.910 0.295 1.00 0.00 N ATOM 152 CA ARG A 9 3.212 -4.490 0.375 1.00 0.00 C ATOM 153 C ARG A 9 2.730 -4.393 1.817 1.00 0.00 C ATOM 154 O ARG A 9 1.532 -4.425 2.103 1.00 0.00 O ATOM 155 CB ARG A 9 3.234 -5.953 -0.097 1.00 0.00 C ATOM 156 CG ARG A 9 2.256 -6.866 0.627 1.00 0.00 C ATOM 157 CD ARG A 9 2.932 -8.144 1.097 1.00 0.00 C ATOM 158 NE ARG A 9 2.402 -9.326 0.420 1.00 0.00 N ATOM 159 CZ ARG A 9 1.265 -9.923 0.760 1.00 0.00 C ATOM 160 NH1 ARG A 9 0.535 -9.450 1.761 1.00 0.00 N ATOM 161 NH2 ARG A 9 0.855 -10.995 0.096 1.00 0.00 N ATOM 0 H ARG A 9 5.272 -4.476 0.732 1.00 0.00 H new ATOM 0 HA ARG A 9 2.529 -3.945 -0.276 1.00 0.00 H new ATOM 0 HB2 ARG A 9 3.014 -5.980 -1.164 1.00 0.00 H new ATOM 0 HB3 ARG A 9 4.242 -6.347 0.031 1.00 0.00 H new ATOM 0 HG2 ARG A 9 1.832 -6.341 1.483 1.00 0.00 H new ATOM 0 HG3 ARG A 9 1.428 -7.114 -0.037 1.00 0.00 H new ATOM 0 HD2 ARG A 9 4.005 -8.074 0.917 1.00 0.00 H new ATOM 0 HD3 ARG A 9 2.796 -8.251 2.173 1.00 0.00 H new ATOM 0 HE ARG A 9 2.935 -9.715 -0.358 1.00 0.00 H new ATOM 0 HH11 ARG A 9 0.846 -8.625 2.273 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -0.337 -9.912 2.019 1.00 0.00 H new ATOM 0 HH21 ARG A 9 1.413 -11.361 -0.676 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -0.018 -11.454 0.357 1.00 0.00 H new ATOM 175 N ASN A 10 3.700 -4.271 2.716 1.00 0.00 N ATOM 176 CA ASN A 10 3.443 -4.166 4.144 1.00 0.00 C ATOM 177 C ASN A 10 3.257 -2.712 4.563 1.00 0.00 C ATOM 178 O ASN A 10 2.137 -2.263 4.809 1.00 0.00 O ATOM 179 CB ASN A 10 4.615 -4.773 4.910 1.00 0.00 C ATOM 180 CG ASN A 10 4.561 -4.472 6.395 1.00 0.00 C ATOM 181 OD1 ASN A 10 3.396 -4.679 6.997 1.00 0.00 O flip ATOM 182 ND2 ASN A 10 5.554 -4.060 6.993 1.00 0.00 N flip ATOM 0 H ASN A 10 4.690 -4.242 2.472 1.00 0.00 H new ATOM 0 HA ASN A 10 2.524 -4.706 4.373 1.00 0.00 H new ATOM 0 HB2 ASN A 10 4.620 -5.853 4.762 1.00 0.00 H new ATOM 0 HB3 ASN A 10 5.549 -4.390 4.499 1.00 0.00 H new ATOM 0 HD21 ASN A 10 6.429 -3.915 6.489 1.00 0.00 H new ATOM 0 HD22 ASN A 10 5.502 -3.863 7.992 1.00 0.00 H new ATOM 189 N ARG A 11 4.371 -1.990 4.648 1.00 0.00 N ATOM 190 CA ARG A 11 4.357 -0.588 5.045 1.00 0.00 C ATOM 191 C ARG A 11 3.743 -0.423 6.431 1.00 0.00 C ATOM 192 O ARG A 11 2.523 -0.170 6.513 1.00 0.00 O ATOM 193 CB ARG A 11 3.589 0.254 4.029 1.00 0.00 C ATOM 194 CG ARG A 11 3.687 1.748 4.286 1.00 0.00 C ATOM 195 CD ARG A 11 4.748 2.398 3.413 1.00 0.00 C ATOM 196 NE ARG A 11 6.099 2.030 3.827 1.00 0.00 N ATOM 197 CZ ARG A 11 6.758 2.633 4.813 1.00 0.00 C ATOM 198 NH1 ARG A 11 6.182 3.611 5.499 1.00 0.00 N ATOM 199 NH2 ARG A 11 7.991 2.256 5.117 1.00 0.00 N ATOM 200 OXT ARG A 11 4.489 -0.552 7.425 1.00 0.00 O ATOM 0 H ARG A 11 5.301 -2.358 4.445 1.00 0.00 H new ATOM 0 HA ARG A 11 5.389 -0.240 5.078 1.00 0.00 H new ATOM 0 HB2 ARG A 11 3.968 0.039 3.030 1.00 0.00 H new ATOM 0 HB3 ARG A 11 2.540 -0.041 4.042 1.00 0.00 H new ATOM 0 HG2 ARG A 11 2.721 2.215 4.094 1.00 0.00 H new ATOM 0 HG3 ARG A 11 3.922 1.922 5.336 1.00 0.00 H new ATOM 0 HD2 ARG A 11 4.594 2.103 2.375 1.00 0.00 H new ATOM 0 HD3 ARG A 11 4.638 3.482 3.456 1.00 0.00 H new ATOM 0 HE ARG A 11 6.563 1.268 3.333 1.00 0.00 H new ATOM 0 HH11 ARG A 11 5.231 3.903 5.271 1.00 0.00 H new ATOM 0 HH12 ARG A 11 6.690 4.072 6.254 1.00 0.00 H new ATOM 0 HH21 ARG A 11 8.437 1.502 4.595 1.00 0.00 H new ATOM 0 HH22 ARG A 11 8.494 2.720 5.873 1.00 0.00 H new TER 214 ARG A 11 ATOM 215 N LYS B 12 16.276 4.294 -0.280 1.00 0.00 N ATOM 216 CA LYS B 12 15.306 3.574 0.583 1.00 0.00 C ATOM 217 C LYS B 12 14.205 4.472 1.104 1.00 0.00 C ATOM 218 O LYS B 12 13.526 4.147 2.078 1.00 0.00 O ATOM 219 CB LYS B 12 16.044 2.914 1.742 1.00 0.00 C ATOM 220 CG LYS B 12 15.156 1.986 2.554 1.00 0.00 C ATOM 221 CD LYS B 12 15.481 2.076 4.027 1.00 0.00 C ATOM 222 CE LYS B 12 15.227 0.759 4.741 1.00 0.00 C ATOM 223 NZ LYS B 12 14.253 0.913 5.855 1.00 0.00 N ATOM 0 HA LYS B 12 14.824 2.815 -0.033 1.00 0.00 H new ATOM 0 HB2 LYS B 12 16.892 2.350 1.353 1.00 0.00 H new ATOM 0 HB3 LYS B 12 16.449 3.686 2.396 1.00 0.00 H new ATOM 0 HG2 LYS B 12 14.110 2.245 2.392 1.00 0.00 H new ATOM 0 HG3 LYS B 12 15.287 0.960 2.211 1.00 0.00 H new ATOM 0 HD2 LYS B 12 16.525 2.362 4.152 1.00 0.00 H new ATOM 0 HD3 LYS B 12 14.878 2.860 4.485 1.00 0.00 H new ATOM 0 HE2 LYS B 12 14.850 0.026 4.028 1.00 0.00 H new ATOM 0 HE3 LYS B 12 16.167 0.370 5.132 1.00 0.00 H new ATOM 0 HZ1 LYS B 12 14.106 -0.007 6.317 1.00 0.00 H new ATOM 0 HZ2 LYS B 12 14.624 1.594 6.548 1.00 0.00 H new ATOM 0 HZ3 LYS B 12 13.348 1.260 5.479 1.00 0.00 H new ATOM 239 N LEU B 13 13.999 5.588 0.445 1.00 0.00 N ATOM 240 CA LEU B 13 12.951 6.487 0.856 1.00 0.00 C ATOM 241 C LEU B 13 11.874 6.540 -0.211 1.00 0.00 C ATOM 242 O LEU B 13 10.931 7.328 -0.133 1.00 0.00 O ATOM 243 CB LEU B 13 13.522 7.866 1.176 1.00 0.00 C ATOM 244 CG LEU B 13 14.681 7.859 2.187 1.00 0.00 C ATOM 245 CD1 LEU B 13 14.494 6.766 3.244 1.00 0.00 C ATOM 246 CD2 LEU B 13 16.010 7.684 1.466 1.00 0.00 C ATOM 0 H LEU B 13 14.536 5.891 -0.367 1.00 0.00 H new ATOM 0 HA LEU B 13 12.490 6.117 1.772 1.00 0.00 H new ATOM 0 HB2 LEU B 13 13.867 8.326 0.250 1.00 0.00 H new ATOM 0 HB3 LEU B 13 12.721 8.495 1.565 1.00 0.00 H new ATOM 0 HG LEU B 13 14.684 8.820 2.701 1.00 0.00 H new ATOM 0 HD11 LEU B 13 15.330 6.789 3.943 1.00 0.00 H new ATOM 0 HD12 LEU B 13 13.564 6.939 3.786 1.00 0.00 H new ATOM 0 HD13 LEU B 13 14.454 5.792 2.757 1.00 0.00 H new ATOM 0 HD21 LEU B 13 16.821 7.681 2.194 1.00 0.00 H new ATOM 0 HD22 LEU B 13 16.007 6.740 0.922 1.00 0.00 H new ATOM 0 HD23 LEU B 13 16.155 8.506 0.765 1.00 0.00 H new ATOM 258 N LEU B 14 12.007 5.644 -1.185 1.00 0.00 N ATOM 259 CA LEU B 14 11.034 5.521 -2.253 1.00 0.00 C ATOM 260 C LEU B 14 9.816 4.801 -1.700 1.00 0.00 C ATOM 261 O LEU B 14 8.761 4.737 -2.329 1.00 0.00 O ATOM 262 CB LEU B 14 11.622 4.741 -3.431 1.00 0.00 C ATOM 263 CG LEU B 14 12.161 3.346 -3.090 1.00 0.00 C ATOM 264 CD1 LEU B 14 11.439 2.282 -3.902 1.00 0.00 C ATOM 265 CD2 LEU B 14 13.660 3.283 -3.344 1.00 0.00 C ATOM 0 H LEU B 14 12.787 4.990 -1.252 1.00 0.00 H new ATOM 0 HA LEU B 14 10.755 6.510 -2.617 1.00 0.00 H new ATOM 0 HB2 LEU B 14 10.854 4.638 -4.197 1.00 0.00 H new ATOM 0 HB3 LEU B 14 12.430 5.328 -3.867 1.00 0.00 H new ATOM 0 HG LEU B 14 11.979 3.153 -2.033 1.00 0.00 H new ATOM 0 HD11 LEU B 14 11.835 1.299 -3.647 1.00 0.00 H new ATOM 0 HD12 LEU B 14 10.373 2.314 -3.677 1.00 0.00 H new ATOM 0 HD13 LEU B 14 11.591 2.470 -4.965 1.00 0.00 H new ATOM 0 HD21 LEU B 14 14.029 2.287 -3.098 1.00 0.00 H new ATOM 0 HD22 LEU B 14 13.860 3.495 -4.394 1.00 0.00 H new ATOM 0 HD23 LEU B 14 14.166 4.022 -2.722 1.00 0.00 H new ATOM 277 N ILE B 15 9.995 4.268 -0.496 1.00 0.00 N ATOM 278 CA ILE B 15 8.954 3.545 0.211 1.00 0.00 C ATOM 279 C ILE B 15 8.038 4.523 0.951 1.00 0.00 C ATOM 280 O ILE B 15 7.400 4.185 1.948 1.00 0.00 O ATOM 281 CB ILE B 15 9.594 2.526 1.186 1.00 0.00 C ATOM 282 CG1 ILE B 15 10.519 1.597 0.410 1.00 0.00 C ATOM 283 CG2 ILE B 15 8.539 1.714 1.929 1.00 0.00 C ATOM 284 CD1 ILE B 15 9.796 0.763 -0.616 1.00 0.00 C ATOM 0 H ILE B 15 10.875 4.328 0.017 1.00 0.00 H new ATOM 0 HA ILE B 15 8.344 2.996 -0.506 1.00 0.00 H new ATOM 0 HB ILE B 15 10.164 3.080 1.932 1.00 0.00 H new ATOM 0 HG12 ILE B 15 11.286 2.191 -0.088 1.00 0.00 H new ATOM 0 HG13 ILE B 15 11.032 0.937 1.110 1.00 0.00 H new ATOM 0 HG21 ILE B 15 9.029 1.011 2.603 1.00 0.00 H new ATOM 0 HG22 ILE B 15 7.902 2.385 2.505 1.00 0.00 H new ATOM 0 HG23 ILE B 15 7.930 1.164 1.211 1.00 0.00 H new ATOM 0 HD11 ILE B 15 10.511 0.123 -1.134 1.00 0.00 H new ATOM 0 HD12 ILE B 15 9.048 0.144 -0.120 1.00 0.00 H new ATOM 0 HD13 ILE B 15 9.306 1.417 -1.337 1.00 0.00 H new ATOM 296 N THR B 16 7.972 5.745 0.434 1.00 0.00 N ATOM 297 CA THR B 16 7.132 6.782 1.017 1.00 0.00 C ATOM 298 C THR B 16 6.068 7.225 0.020 1.00 0.00 C ATOM 299 O THR B 16 4.938 7.532 0.398 1.00 0.00 O ATOM 300 CB THR B 16 7.981 7.981 1.443 1.00 0.00 C ATOM 301 OG1 THR B 16 9.192 7.551 2.039 1.00 0.00 O ATOM 302 CG2 THR B 16 7.278 8.886 2.432 1.00 0.00 C ATOM 0 H THR B 16 8.493 6.041 -0.391 1.00 0.00 H new ATOM 0 HA THR B 16 6.640 6.370 1.898 1.00 0.00 H new ATOM 0 HB THR B 16 8.170 8.544 0.529 1.00 0.00 H new ATOM 0 HG1 THR B 16 9.881 7.456 1.348 1.00 0.00 H new ATOM 0 HG21 THR B 16 7.933 9.717 2.694 1.00 0.00 H new ATOM 0 HG22 THR B 16 6.363 9.273 1.984 1.00 0.00 H new ATOM 0 HG23 THR B 16 7.031 8.321 3.331 1.00 0.00 H new ATOM 310 N ILE B 17 6.436 7.248 -1.258 1.00 0.00 N ATOM 311 CA ILE B 17 5.514 7.645 -2.314 1.00 0.00 C ATOM 312 C ILE B 17 5.212 6.469 -3.244 1.00 0.00 C ATOM 313 O ILE B 17 4.075 6.287 -3.677 1.00 0.00 O ATOM 314 CB ILE B 17 6.062 8.847 -3.124 1.00 0.00 C ATOM 315 CG1 ILE B 17 4.938 9.846 -3.425 1.00 0.00 C ATOM 316 CG2 ILE B 17 6.737 8.390 -4.414 1.00 0.00 C ATOM 317 CD1 ILE B 17 3.844 9.296 -4.317 1.00 0.00 C ATOM 0 H ILE B 17 7.368 6.996 -1.586 1.00 0.00 H new ATOM 0 HA ILE B 17 4.586 7.958 -1.836 1.00 0.00 H new ATOM 0 HB ILE B 17 6.817 9.344 -2.515 1.00 0.00 H new ATOM 0 HG12 ILE B 17 4.495 10.172 -2.484 1.00 0.00 H new ATOM 0 HG13 ILE B 17 5.368 10.729 -3.898 1.00 0.00 H new ATOM 0 HG21 ILE B 17 7.110 9.259 -4.957 1.00 0.00 H new ATOM 0 HG22 ILE B 17 7.569 7.727 -4.174 1.00 0.00 H new ATOM 0 HG23 ILE B 17 6.015 7.857 -5.033 1.00 0.00 H new ATOM 0 HD11 ILE B 17 3.088 10.064 -4.482 1.00 0.00 H new ATOM 0 HD12 ILE B 17 4.271 8.996 -5.274 1.00 0.00 H new ATOM 0 HD13 ILE B 17 3.384 8.431 -3.838 1.00 0.00 H new ATOM 329 N HIS B 18 6.234 5.667 -3.540 1.00 0.00 N ATOM 330 CA HIS B 18 6.061 4.509 -4.409 1.00 0.00 C ATOM 331 C HIS B 18 5.254 3.441 -3.687 1.00 0.00 C ATOM 332 O HIS B 18 4.616 2.594 -4.314 1.00 0.00 O ATOM 333 CB HIS B 18 7.424 3.966 -4.864 1.00 0.00 C ATOM 334 CG HIS B 18 7.640 2.503 -4.615 1.00 0.00 C ATOM 335 ND1 HIS B 18 7.844 1.969 -3.360 1.00 0.00 N ATOM 336 CD2 HIS B 18 7.697 1.463 -5.478 1.00 0.00 C ATOM 337 CE1 HIS B 18 8.020 0.664 -3.464 1.00 0.00 C ATOM 338 NE2 HIS B 18 7.934 0.332 -4.738 1.00 0.00 N ATOM 0 H HIS B 18 7.184 5.798 -3.192 1.00 0.00 H new ATOM 0 HA HIS B 18 5.513 4.810 -5.302 1.00 0.00 H new ATOM 0 HB2 HIS B 18 7.536 4.158 -5.931 1.00 0.00 H new ATOM 0 HB3 HIS B 18 8.209 4.525 -4.355 1.00 0.00 H new ATOM 0 HD2 HIS B 18 7.578 1.513 -6.550 1.00 0.00 H new ATOM 0 HE1 HIS B 18 8.203 -0.016 -2.645 1.00 0.00 H new ATOM 0 HE2 HIS B 18 8.028 -0.612 -5.112 1.00 0.00 H new ATOM 347 N ASP B 19 5.273 3.504 -2.362 1.00 0.00 N ATOM 348 CA ASP B 19 4.532 2.561 -1.543 1.00 0.00 C ATOM 349 C ASP B 19 3.056 2.934 -1.535 1.00 0.00 C ATOM 350 O ASP B 19 2.200 2.136 -1.154 1.00 0.00 O ATOM 351 CB ASP B 19 5.088 2.538 -0.122 1.00 0.00 C ATOM 352 CG ASP B 19 5.622 1.172 0.260 1.00 0.00 C ATOM 353 OD1 ASP B 19 6.696 0.791 -0.251 1.00 0.00 O ATOM 354 OD2 ASP B 19 4.965 0.480 1.066 1.00 0.00 O ATOM 0 H ASP B 19 5.796 4.202 -1.833 1.00 0.00 H new ATOM 0 HA ASP B 19 4.640 1.562 -1.966 1.00 0.00 H new ATOM 0 HB2 ASP B 19 5.885 3.276 -0.033 1.00 0.00 H new ATOM 0 HB3 ASP B 19 4.305 2.829 0.578 1.00 0.00 H new ATOM 359 N ARG B 20 2.769 4.155 -1.982 1.00 0.00 N ATOM 360 CA ARG B 20 1.400 4.645 -2.052 1.00 0.00 C ATOM 361 C ARG B 20 0.678 3.999 -3.227 1.00 0.00 C ATOM 362 O ARG B 20 -0.531 4.153 -3.393 1.00 0.00 O ATOM 363 CB ARG B 20 1.385 6.166 -2.198 1.00 0.00 C ATOM 364 CG ARG B 20 0.651 6.878 -1.074 1.00 0.00 C ATOM 365 CD ARG B 20 1.453 6.859 0.217 1.00 0.00 C ATOM 366 NE ARG B 20 1.231 5.634 0.980 1.00 0.00 N ATOM 367 CZ ARG B 20 0.155 5.416 1.731 1.00 0.00 C ATOM 368 NH1 ARG B 20 -0.794 6.338 1.822 1.00 0.00 N ATOM 369 NH2 ARG B 20 0.027 4.273 2.391 1.00 0.00 N ATOM 0 H ARG B 20 3.471 4.823 -2.301 1.00 0.00 H new ATOM 0 HA ARG B 20 0.885 4.380 -1.128 1.00 0.00 H new ATOM 0 HB2 ARG B 20 2.412 6.529 -2.237 1.00 0.00 H new ATOM 0 HB3 ARG B 20 0.918 6.427 -3.148 1.00 0.00 H new ATOM 0 HG2 ARG B 20 0.452 7.910 -1.364 1.00 0.00 H new ATOM 0 HG3 ARG B 20 -0.315 6.401 -0.910 1.00 0.00 H new ATOM 0 HD2 ARG B 20 2.514 6.955 -0.014 1.00 0.00 H new ATOM 0 HD3 ARG B 20 1.180 7.720 0.826 1.00 0.00 H new ATOM 0 HE ARG B 20 1.942 4.904 0.935 1.00 0.00 H new ATOM 0 HH11 ARG B 20 -0.700 7.218 1.315 1.00 0.00 H new ATOM 0 HH12 ARG B 20 -1.618 6.167 2.399 1.00 0.00 H new ATOM 0 HH21 ARG B 20 0.754 3.561 2.323 1.00 0.00 H new ATOM 0 HH22 ARG B 20 -0.798 4.106 2.967 1.00 0.00 H new ATOM 383 N LYS B 21 1.441 3.270 -4.035 1.00 0.00 N ATOM 384 CA LYS B 21 0.897 2.581 -5.199 1.00 0.00 C ATOM 385 C LYS B 21 1.131 1.089 -5.075 1.00 0.00 C ATOM 386 O LYS B 21 0.333 0.280 -5.545 1.00 0.00 O ATOM 387 CB LYS B 21 1.534 3.104 -6.485 1.00 0.00 C ATOM 388 CG LYS B 21 2.501 4.249 -6.255 1.00 0.00 C ATOM 389 CD LYS B 21 3.629 4.238 -7.276 1.00 0.00 C ATOM 390 CE LYS B 21 3.196 4.858 -8.595 1.00 0.00 C ATOM 391 NZ LYS B 21 3.070 6.338 -8.500 1.00 0.00 N ATOM 0 H LYS B 21 2.444 3.141 -3.903 1.00 0.00 H new ATOM 0 HA LYS B 21 -0.175 2.773 -5.242 1.00 0.00 H new ATOM 0 HB2 LYS B 21 2.060 2.287 -6.979 1.00 0.00 H new ATOM 0 HB3 LYS B 21 0.747 3.433 -7.164 1.00 0.00 H new ATOM 0 HG2 LYS B 21 1.965 5.197 -6.313 1.00 0.00 H new ATOM 0 HG3 LYS B 21 2.917 4.179 -5.250 1.00 0.00 H new ATOM 0 HD2 LYS B 21 4.485 4.785 -6.880 1.00 0.00 H new ATOM 0 HD3 LYS B 21 3.957 3.212 -7.446 1.00 0.00 H new ATOM 0 HE2 LYS B 21 3.920 4.605 -9.370 1.00 0.00 H new ATOM 0 HE3 LYS B 21 2.240 4.431 -8.900 1.00 0.00 H new ATOM 0 HZ1 LYS B 21 2.991 6.742 -9.455 1.00 0.00 H new ATOM 0 HZ2 LYS B 21 2.220 6.580 -7.951 1.00 0.00 H new ATOM 0 HZ3 LYS B 21 3.910 6.728 -8.027 1.00 0.00 H new ATOM 405 N GLU B 22 2.221 0.735 -4.409 1.00 0.00 N ATOM 406 CA GLU B 22 2.553 -0.649 -4.182 1.00 0.00 C ATOM 407 C GLU B 22 1.537 -1.236 -3.210 1.00 0.00 C ATOM 408 O GLU B 22 1.503 -2.441 -2.961 1.00 0.00 O ATOM 409 CB GLU B 22 3.968 -0.739 -3.623 1.00 0.00 C ATOM 410 CG GLU B 22 5.049 -0.637 -4.684 1.00 0.00 C ATOM 411 CD GLU B 22 5.233 -1.926 -5.462 1.00 0.00 C ATOM 412 OE1 GLU B 22 4.239 -2.427 -6.027 1.00 0.00 O ATOM 413 OE2 GLU B 22 6.375 -2.433 -5.509 1.00 0.00 O ATOM 0 H GLU B 22 2.889 1.398 -4.017 1.00 0.00 H new ATOM 0 HA GLU B 22 2.519 -1.216 -5.112 1.00 0.00 H new ATOM 0 HB2 GLU B 22 4.112 0.057 -2.892 1.00 0.00 H new ATOM 0 HB3 GLU B 22 4.080 -1.684 -3.092 1.00 0.00 H new ATOM 0 HG2 GLU B 22 4.798 0.167 -5.376 1.00 0.00 H new ATOM 0 HG3 GLU B 22 5.992 -0.366 -4.210 1.00 0.00 H new ATOM 420 N PHE B 23 0.702 -0.343 -2.681 1.00 0.00 N ATOM 421 CA PHE B 23 -0.349 -0.703 -1.743 1.00 0.00 C ATOM 422 C PHE B 23 -1.632 -1.041 -2.499 1.00 0.00 C ATOM 423 O PHE B 23 -2.552 -1.647 -1.949 1.00 0.00 O ATOM 424 CB PHE B 23 -0.571 0.457 -0.759 1.00 0.00 C ATOM 425 CG PHE B 23 -1.882 1.182 -0.910 1.00 0.00 C ATOM 426 CD1 PHE B 23 -2.110 2.023 -1.990 1.00 0.00 C ATOM 427 CD2 PHE B 23 -2.882 1.030 0.037 1.00 0.00 C ATOM 428 CE1 PHE B 23 -3.311 2.694 -2.123 1.00 0.00 C ATOM 429 CE2 PHE B 23 -4.085 1.699 -0.090 1.00 0.00 C ATOM 430 CZ PHE B 23 -4.299 2.532 -1.171 1.00 0.00 C ATOM 0 H PHE B 23 0.739 0.654 -2.895 1.00 0.00 H new ATOM 0 HA PHE B 23 -0.053 -1.586 -1.177 1.00 0.00 H new ATOM 0 HB2 PHE B 23 -0.504 0.069 0.257 1.00 0.00 H new ATOM 0 HB3 PHE B 23 0.240 1.176 -0.880 1.00 0.00 H new ATOM 0 HD1 PHE B 23 -1.340 2.155 -2.736 1.00 0.00 H new ATOM 0 HD2 PHE B 23 -2.720 0.381 0.885 1.00 0.00 H new ATOM 0 HE1 PHE B 23 -3.477 3.344 -2.970 1.00 0.00 H new ATOM 0 HE2 PHE B 23 -4.856 1.571 0.655 1.00 0.00 H new ATOM 0 HZ PHE B 23 -5.238 3.056 -1.272 1.00 0.00 H new ATOM 440 N ALA B 24 -1.675 -0.640 -3.770 1.00 0.00 N ATOM 441 CA ALA B 24 -2.825 -0.891 -4.628 1.00 0.00 C ATOM 442 C ALA B 24 -2.824 -2.331 -5.133 1.00 0.00 C ATOM 443 O ALA B 24 -2.967 -2.586 -6.329 1.00 0.00 O ATOM 444 CB ALA B 24 -2.837 0.085 -5.796 1.00 0.00 C ATOM 0 H ALA B 24 -0.916 -0.135 -4.228 1.00 0.00 H new ATOM 0 HA ALA B 24 -3.730 -0.740 -4.039 1.00 0.00 H new ATOM 0 HB1 ALA B 24 -3.702 -0.115 -6.428 1.00 0.00 H new ATOM 0 HB2 ALA B 24 -2.893 1.105 -5.417 1.00 0.00 H new ATOM 0 HB3 ALA B 24 -1.925 -0.036 -6.380 1.00 0.00 H new ATOM 450 N LYS B 25 -2.680 -3.260 -4.202 1.00 0.00 N ATOM 451 CA LYS B 25 -2.677 -4.683 -4.512 1.00 0.00 C ATOM 452 C LYS B 25 -4.067 -5.090 -4.966 1.00 0.00 C ATOM 453 O LYS B 25 -4.291 -5.461 -6.118 1.00 0.00 O ATOM 454 CB LYS B 25 -2.287 -5.474 -3.263 1.00 0.00 C ATOM 455 CG LYS B 25 -2.669 -4.770 -1.964 1.00 0.00 C ATOM 456 CD LYS B 25 -3.707 -5.556 -1.179 1.00 0.00 C ATOM 457 CE LYS B 25 -3.118 -6.828 -0.587 1.00 0.00 C ATOM 458 NZ LYS B 25 -4.073 -7.968 -0.658 1.00 0.00 N ATOM 0 H LYS B 25 -2.562 -3.051 -3.211 1.00 0.00 H new ATOM 0 HA LYS B 25 -1.958 -4.891 -5.305 1.00 0.00 H new ATOM 0 HB2 LYS B 25 -2.768 -6.451 -3.294 1.00 0.00 H new ATOM 0 HB3 LYS B 25 -1.211 -5.648 -3.272 1.00 0.00 H new ATOM 0 HG2 LYS B 25 -1.779 -4.631 -1.351 1.00 0.00 H new ATOM 0 HG3 LYS B 25 -3.059 -3.778 -2.190 1.00 0.00 H new ATOM 0 HD2 LYS B 25 -4.107 -4.933 -0.379 1.00 0.00 H new ATOM 0 HD3 LYS B 25 -4.542 -5.811 -1.832 1.00 0.00 H new ATOM 0 HE2 LYS B 25 -2.203 -7.087 -1.120 1.00 0.00 H new ATOM 0 HE3 LYS B 25 -2.841 -6.650 0.452 1.00 0.00 H new ATOM 0 HZ1 LYS B 25 -3.634 -8.815 -0.245 1.00 0.00 H new ATOM 0 HZ2 LYS B 25 -4.936 -7.732 -0.128 1.00 0.00 H new ATOM 0 HZ3 LYS B 25 -4.318 -8.155 -1.651 1.00 0.00 H new ATOM 472 N PHE B 26 -4.994 -4.969 -4.036 1.00 0.00 N ATOM 473 CA PHE B 26 -6.391 -5.260 -4.268 1.00 0.00 C ATOM 474 C PHE B 26 -7.124 -3.935 -4.334 1.00 0.00 C ATOM 475 O PHE B 26 -8.243 -3.830 -4.836 1.00 0.00 O ATOM 476 CB PHE B 26 -6.922 -6.119 -3.126 1.00 0.00 C ATOM 477 CG PHE B 26 -8.406 -6.026 -2.920 1.00 0.00 C ATOM 478 CD1 PHE B 26 -9.282 -6.615 -3.816 1.00 0.00 C ATOM 479 CD2 PHE B 26 -8.920 -5.350 -1.828 1.00 0.00 C ATOM 480 CE1 PHE B 26 -10.648 -6.532 -3.625 1.00 0.00 C ATOM 481 CE2 PHE B 26 -10.284 -5.263 -1.630 1.00 0.00 C ATOM 482 CZ PHE B 26 -11.150 -5.854 -2.530 1.00 0.00 C ATOM 0 H PHE B 26 -4.793 -4.661 -3.085 1.00 0.00 H new ATOM 0 HA PHE B 26 -6.535 -5.810 -5.198 1.00 0.00 H new ATOM 0 HB2 PHE B 26 -6.658 -7.159 -3.317 1.00 0.00 H new ATOM 0 HB3 PHE B 26 -6.420 -5.827 -2.204 1.00 0.00 H new ATOM 0 HD1 PHE B 26 -8.894 -7.145 -4.673 1.00 0.00 H new ATOM 0 HD2 PHE B 26 -8.247 -4.885 -1.123 1.00 0.00 H new ATOM 0 HE1 PHE B 26 -11.322 -6.996 -4.330 1.00 0.00 H new ATOM 0 HE2 PHE B 26 -10.673 -4.734 -0.773 1.00 0.00 H new ATOM 0 HZ PHE B 26 -12.217 -5.786 -2.378 1.00 0.00 H new ATOM 492 N GLU B 27 -6.439 -2.922 -3.820 1.00 0.00 N ATOM 493 CA GLU B 27 -6.940 -1.565 -3.791 1.00 0.00 C ATOM 494 C GLU B 27 -7.153 -1.052 -5.209 1.00 0.00 C ATOM 495 O GLU B 27 -8.021 -0.215 -5.456 1.00 0.00 O ATOM 496 CB GLU B 27 -5.940 -0.686 -3.045 1.00 0.00 C ATOM 497 CG GLU B 27 -6.203 -0.588 -1.552 1.00 0.00 C ATOM 498 CD GLU B 27 -7.681 -0.536 -1.215 1.00 0.00 C ATOM 499 OE1 GLU B 27 -8.263 0.568 -1.270 1.00 0.00 O ATOM 500 OE2 GLU B 27 -8.255 -1.598 -0.896 1.00 0.00 O ATOM 0 H GLU B 27 -5.511 -3.026 -3.409 1.00 0.00 H new ATOM 0 HA GLU B 27 -7.900 -1.537 -3.276 1.00 0.00 H new ATOM 0 HB2 GLU B 27 -4.936 -1.080 -3.202 1.00 0.00 H new ATOM 0 HB3 GLU B 27 -5.960 0.316 -3.474 1.00 0.00 H new ATOM 0 HG2 GLU B 27 -5.751 -1.445 -1.052 1.00 0.00 H new ATOM 0 HG3 GLU B 27 -5.715 0.304 -1.160 1.00 0.00 H new ATOM 507 N GLU B 28 -6.362 -1.579 -6.141 1.00 0.00 N ATOM 508 CA GLU B 28 -6.470 -1.197 -7.544 1.00 0.00 C ATOM 509 C GLU B 28 -7.747 -1.774 -8.140 1.00 0.00 C ATOM 510 O GLU B 28 -8.072 -1.540 -9.303 1.00 0.00 O ATOM 511 CB GLU B 28 -5.253 -1.693 -8.330 1.00 0.00 C ATOM 512 CG GLU B 28 -5.210 -3.204 -8.497 1.00 0.00 C ATOM 513 CD GLU B 28 -4.147 -3.655 -9.480 1.00 0.00 C ATOM 514 OE1 GLU B 28 -3.573 -2.789 -10.173 1.00 0.00 O ATOM 515 OE2 GLU B 28 -3.888 -4.874 -9.556 1.00 0.00 O ATOM 0 H GLU B 28 -5.639 -2.272 -5.948 1.00 0.00 H new ATOM 0 HA GLU B 28 -6.504 -0.109 -7.609 1.00 0.00 H new ATOM 0 HB2 GLU B 28 -5.253 -1.227 -9.315 1.00 0.00 H new ATOM 0 HB3 GLU B 28 -4.345 -1.366 -7.823 1.00 0.00 H new ATOM 0 HG2 GLU B 28 -5.023 -3.667 -7.528 1.00 0.00 H new ATOM 0 HG3 GLU B 28 -6.185 -3.556 -8.836 1.00 0.00 H new ATOM 522 N GLU B 29 -8.464 -2.535 -7.320 1.00 0.00 N ATOM 523 CA GLU B 29 -9.712 -3.161 -7.730 1.00 0.00 C ATOM 524 C GLU B 29 -10.852 -2.695 -6.832 1.00 0.00 C ATOM 525 O GLU B 29 -11.987 -3.159 -6.953 1.00 0.00 O ATOM 526 CB GLU B 29 -9.581 -4.683 -7.666 1.00 0.00 C ATOM 527 CG GLU B 29 -8.249 -5.196 -8.184 1.00 0.00 C ATOM 528 CD GLU B 29 -8.275 -5.483 -9.672 1.00 0.00 C ATOM 529 OE1 GLU B 29 -9.097 -6.320 -10.102 1.00 0.00 O ATOM 530 OE2 GLU B 29 -7.472 -4.871 -10.409 1.00 0.00 O ATOM 0 H GLU B 29 -8.196 -2.734 -6.356 1.00 0.00 H new ATOM 0 HA GLU B 29 -9.932 -2.869 -8.757 1.00 0.00 H new ATOM 0 HB2 GLU B 29 -9.711 -5.008 -6.634 1.00 0.00 H new ATOM 0 HB3 GLU B 29 -10.386 -5.134 -8.246 1.00 0.00 H new ATOM 0 HG2 GLU B 29 -7.473 -4.460 -7.973 1.00 0.00 H new ATOM 0 HG3 GLU B 29 -7.980 -6.105 -7.647 1.00 0.00 H new ATOM 537 N ARG B 30 -10.532 -1.780 -5.924 1.00 0.00 N ATOM 538 CA ARG B 30 -11.511 -1.245 -4.986 1.00 0.00 C ATOM 539 C ARG B 30 -11.707 0.254 -5.194 1.00 0.00 C ATOM 540 O ARG B 30 -12.730 0.816 -4.803 1.00 0.00 O ATOM 541 CB ARG B 30 -11.053 -1.512 -3.551 1.00 0.00 C ATOM 542 CG ARG B 30 -12.101 -2.195 -2.690 1.00 0.00 C ATOM 543 CD ARG B 30 -13.084 -1.192 -2.108 1.00 0.00 C ATOM 544 NE ARG B 30 -12.587 -0.596 -0.871 1.00 0.00 N ATOM 545 CZ ARG B 30 -13.047 0.545 -0.365 1.00 0.00 C ATOM 546 NH1 ARG B 30 -14.028 1.200 -0.973 1.00 0.00 N ATOM 547 NH2 ARG B 30 -12.528 1.029 0.756 1.00 0.00 N ATOM 0 H ARG B 30 -9.595 -1.391 -5.818 1.00 0.00 H new ATOM 0 HA ARG B 30 -12.464 -1.743 -5.165 1.00 0.00 H new ATOM 0 HB2 ARG B 30 -10.156 -2.131 -3.575 1.00 0.00 H new ATOM 0 HB3 ARG B 30 -10.775 -0.566 -3.086 1.00 0.00 H new ATOM 0 HG2 ARG B 30 -12.641 -2.931 -3.287 1.00 0.00 H new ATOM 0 HG3 ARG B 30 -11.612 -2.738 -1.881 1.00 0.00 H new ATOM 0 HD2 ARG B 30 -13.275 -0.406 -2.838 1.00 0.00 H new ATOM 0 HD3 ARG B 30 -14.036 -1.687 -1.916 1.00 0.00 H new ATOM 0 HE ARG B 30 -11.845 -1.082 -0.367 1.00 0.00 H new ATOM 0 HH11 ARG B 30 -14.433 0.829 -1.832 1.00 0.00 H new ATOM 0 HH12 ARG B 30 -14.377 2.074 -0.581 1.00 0.00 H new ATOM 0 HH21 ARG B 30 -11.777 0.526 1.229 1.00 0.00 H new ATOM 0 HH22 ARG B 30 -12.880 1.904 1.145 1.00 0.00 H new ATOM 561 N ALA B 31 -10.717 0.895 -5.810 1.00 0.00 N ATOM 562 CA ALA B 31 -10.773 2.328 -6.066 1.00 0.00 C ATOM 563 C ALA B 31 -10.676 2.626 -7.554 1.00 0.00 C ATOM 564 O ALA B 31 -10.675 3.784 -7.964 1.00 0.00 O ATOM 565 CB ALA B 31 -9.669 3.044 -5.305 1.00 0.00 C ATOM 0 H ALA B 31 -9.865 0.442 -6.141 1.00 0.00 H new ATOM 0 HA ALA B 31 -11.737 2.696 -5.715 1.00 0.00 H new ATOM 0 HB1 ALA B 31 -9.723 4.114 -5.506 1.00 0.00 H new ATOM 0 HB2 ALA B 31 -9.791 2.869 -4.236 1.00 0.00 H new ATOM 0 HB3 ALA B 31 -8.700 2.663 -5.626 1.00 0.00 H new ATOM 571 N ARG B 32 -10.610 1.575 -8.358 1.00 0.00 N ATOM 572 CA ARG B 32 -10.532 1.723 -9.803 1.00 0.00 C ATOM 573 C ARG B 32 -11.907 1.561 -10.421 1.00 0.00 C ATOM 574 O ARG B 32 -12.398 2.456 -11.097 1.00 0.00 O ATOM 575 CB ARG B 32 -9.574 0.684 -10.390 1.00 0.00 C ATOM 576 CG ARG B 32 -8.682 1.214 -11.502 1.00 0.00 C ATOM 577 CD ARG B 32 -7.972 2.501 -11.103 1.00 0.00 C ATOM 578 NE ARG B 32 -7.325 3.149 -12.244 1.00 0.00 N ATOM 579 CZ ARG B 32 -7.963 3.517 -13.357 1.00 0.00 C ATOM 580 NH1 ARG B 32 -9.266 3.310 -13.488 1.00 0.00 N ATOM 581 NH2 ARG B 32 -7.293 4.097 -14.341 1.00 0.00 N ATOM 0 H ARG B 32 -10.609 0.608 -8.033 1.00 0.00 H new ATOM 0 HA ARG B 32 -10.156 2.721 -10.030 1.00 0.00 H new ATOM 0 HB2 ARG B 32 -8.945 0.294 -9.590 1.00 0.00 H new ATOM 0 HB3 ARG B 32 -10.156 -0.153 -10.775 1.00 0.00 H new ATOM 0 HG2 ARG B 32 -7.941 0.458 -11.763 1.00 0.00 H new ATOM 0 HG3 ARG B 32 -9.283 1.393 -12.394 1.00 0.00 H new ATOM 0 HD2 ARG B 32 -8.691 3.188 -10.656 1.00 0.00 H new ATOM 0 HD3 ARG B 32 -7.225 2.281 -10.340 1.00 0.00 H new ATOM 0 HE ARG B 32 -6.323 3.331 -12.185 1.00 0.00 H new ATOM 0 HH11 ARG B 32 -9.790 2.866 -12.734 1.00 0.00 H new ATOM 0 HH12 ARG B 32 -9.744 3.595 -14.343 1.00 0.00 H new ATOM 0 HH21 ARG B 32 -6.291 4.262 -14.248 1.00 0.00 H new ATOM 0 HH22 ARG B 32 -7.779 4.379 -15.192 1.00 0.00 H new ATOM 595 N ALA B 33 -12.524 0.414 -10.185 1.00 0.00 N ATOM 596 CA ALA B 33 -13.844 0.135 -10.730 1.00 0.00 C ATOM 597 C ALA B 33 -14.851 1.235 -10.405 1.00 0.00 C ATOM 598 O ALA B 33 -15.906 1.309 -11.033 1.00 0.00 O ATOM 599 CB ALA B 33 -14.348 -1.208 -10.227 1.00 0.00 C ATOM 0 H ALA B 33 -12.132 -0.339 -9.620 1.00 0.00 H new ATOM 0 HA ALA B 33 -13.745 0.101 -11.815 1.00 0.00 H new ATOM 0 HB1 ALA B 33 -15.336 -1.404 -10.642 1.00 0.00 H new ATOM 0 HB2 ALA B 33 -13.661 -1.994 -10.539 1.00 0.00 H new ATOM 0 HB3 ALA B 33 -14.409 -1.189 -9.139 1.00 0.00 H new ATOM 605 N LYS B 34 -14.536 2.093 -9.434 1.00 0.00 N ATOM 606 CA LYS B 34 -15.455 3.169 -9.082 1.00 0.00 C ATOM 607 C LYS B 34 -15.559 4.173 -10.221 1.00 0.00 C ATOM 608 O LYS B 34 -16.656 4.505 -10.674 1.00 0.00 O ATOM 609 CB LYS B 34 -15.058 3.896 -7.787 1.00 0.00 C ATOM 610 CG LYS B 34 -13.716 3.495 -7.182 1.00 0.00 C ATOM 611 CD LYS B 34 -13.091 4.665 -6.439 1.00 0.00 C ATOM 612 CE LYS B 34 -13.850 4.990 -5.163 1.00 0.00 C ATOM 613 NZ LYS B 34 -13.638 6.401 -4.738 1.00 0.00 N ATOM 0 H LYS B 34 -13.673 2.065 -8.891 1.00 0.00 H new ATOM 0 HA LYS B 34 -16.425 2.702 -8.908 1.00 0.00 H new ATOM 0 HB2 LYS B 34 -15.039 4.968 -7.986 1.00 0.00 H new ATOM 0 HB3 LYS B 34 -15.836 3.723 -7.043 1.00 0.00 H new ATOM 0 HG2 LYS B 34 -13.855 2.657 -6.499 1.00 0.00 H new ATOM 0 HG3 LYS B 34 -13.043 3.156 -7.970 1.00 0.00 H new ATOM 0 HD2 LYS B 34 -12.055 4.430 -6.196 1.00 0.00 H new ATOM 0 HD3 LYS B 34 -13.076 5.541 -7.087 1.00 0.00 H new ATOM 0 HE2 LYS B 34 -14.914 4.813 -5.318 1.00 0.00 H new ATOM 0 HE3 LYS B 34 -13.528 4.318 -4.367 1.00 0.00 H new ATOM 0 HZ1 LYS B 34 -14.172 6.584 -3.864 1.00 0.00 H new ATOM 0 HZ2 LYS B 34 -12.625 6.563 -4.566 1.00 0.00 H new ATOM 0 HZ3 LYS B 34 -13.969 7.043 -5.487 1.00 0.00 H new ATOM 627 N TRP B 35 -14.412 4.645 -10.689 1.00 0.00 N ATOM 628 CA TRP B 35 -14.367 5.603 -11.785 1.00 0.00 C ATOM 629 C TRP B 35 -14.129 4.883 -13.107 1.00 0.00 C ATOM 630 O TRP B 35 -14.190 5.482 -14.180 1.00 0.00 O ATOM 631 CB TRP B 35 -13.259 6.626 -11.546 1.00 0.00 C ATOM 632 CG TRP B 35 -11.944 6.005 -11.227 1.00 0.00 C ATOM 633 CD1 TRP B 35 -11.358 4.971 -11.886 1.00 0.00 C ATOM 634 CD2 TRP B 35 -11.045 6.373 -10.178 1.00 0.00 C ATOM 635 NE1 TRP B 35 -10.158 4.678 -11.323 1.00 0.00 N ATOM 636 CE2 TRP B 35 -9.935 5.521 -10.271 1.00 0.00 C ATOM 637 CE3 TRP B 35 -11.070 7.339 -9.172 1.00 0.00 C ATOM 638 CZ2 TRP B 35 -8.855 5.602 -9.397 1.00 0.00 C ATOM 639 CZ3 TRP B 35 -10.000 7.420 -8.302 1.00 0.00 C ATOM 640 CH2 TRP B 35 -8.905 6.556 -8.421 1.00 0.00 C ATOM 0 H TRP B 35 -13.497 4.379 -10.325 1.00 0.00 H new ATOM 0 HA TRP B 35 -15.325 6.121 -11.832 1.00 0.00 H new ATOM 0 HB2 TRP B 35 -13.153 7.250 -12.433 1.00 0.00 H new ATOM 0 HB3 TRP B 35 -13.551 7.283 -10.727 1.00 0.00 H new ATOM 0 HD1 TRP B 35 -11.785 4.457 -12.734 1.00 0.00 H new ATOM 0 HE1 TRP B 35 -9.523 3.944 -11.636 1.00 0.00 H new ATOM 0 HE3 TRP B 35 -11.910 8.011 -9.075 1.00 0.00 H new ATOM 0 HZ2 TRP B 35 -8.010 4.936 -9.487 1.00 0.00 H new ATOM 0 HZ3 TRP B 35 -10.008 8.162 -7.517 1.00 0.00 H new ATOM 0 HH2 TRP B 35 -8.083 6.646 -7.727 1.00 0.00 H new ATOM 651 N ASP B 36 -13.838 3.591 -13.005 1.00 0.00 N ATOM 652 CA ASP B 36 -13.564 2.764 -14.168 1.00 0.00 C ATOM 653 C ASP B 36 -14.776 1.917 -14.538 1.00 0.00 C ATOM 654 O ASP B 36 -15.815 2.044 -13.857 1.00 0.00 O ATOM 655 CB ASP B 36 -12.357 1.863 -13.887 1.00 0.00 C ATOM 656 CG ASP B 36 -11.344 1.881 -15.016 1.00 0.00 C ATOM 657 OD1 ASP B 36 -11.538 2.654 -15.978 1.00 0.00 O ATOM 658 OD2 ASP B 36 -10.355 1.121 -14.938 1.00 0.00 O ATOM 659 OXT ASP B 36 -14.676 1.133 -15.506 1.00 0.00 O ATOM 0 H ASP B 36 -13.786 3.092 -12.117 1.00 0.00 H new ATOM 0 HA ASP B 36 -13.341 3.418 -15.011 1.00 0.00 H new ATOM 0 HB2 ASP B 36 -11.874 2.185 -12.965 1.00 0.00 H new ATOM 0 HB3 ASP B 36 -12.700 0.841 -13.727 1.00 0.00 H new TER 664 ASP B 36