USER MOD reduce.3.24.130724 H: found=0, std=0, add=855, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 853 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 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -175:sc= 0 (180deg=-0.0462) USER MOD Single : A 5 ASN : amide:sc= -0.208 X(o=-0.21,f=-0.55) USER MOD Single : A 6 LYS NZ :NH3+ 166:sc=-0.00781 (180deg=-0.266) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot -137:sc= -1.07 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 19 MET CE :methyl -175:sc= -2.92 (180deg=-3.03) USER MOD Single : A 30 SER OG : rot 72:sc= 1.3 USER MOD Single : A 32 SER OG : rot -72:sc= 0.543 USER MOD Single : A 33 ASN : amide:sc= 0.241 K(o=0.24,f=-4.5!) USER MOD Single : A 48 ASN :FLIP amide:sc= -0.18 F(o=-1.7,f=-0.18) USER MOD Single : A 50 GLN :FLIP amide:sc= -0.923 F(o=-1.5!,f=-0.92) USER MOD Single : A 60 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0994) USER MOD Single : A 66 SER OG : rot 130:sc= -0.0996 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 76 SER OG : rot 73:sc= 1.23 USER MOD Single : A 79 GLN :FLIP amide:sc= -0.695 F(o=-4.9!,f=-0.69) USER MOD Single : A 89 MET CE :methyl -166:sc= -6.15! (180deg=-6.45!) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 THR OG1 : rot 180:sc= 0 USER MOD Single : A 102 LYS NZ :NH3+ 172:sc=-0.00528 (180deg=-0.107) USER MOD Single : A 106 ASN : amide:sc= -1.02 X(o=-1,f=-1.5!) USER MOD Single : A 107 TYR OH : rot 0:sc= -1.92! USER MOD Single : A 110 THR OG1 : rot -153:sc= 1.06 USER MOD Single : A 111 HIS : no HD1:sc= -0.486 X(o=-0.49,f=-0.86) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -13.775 8.106 20.193 1.00 0.00 N ATOM 2 CA MET A 1 -13.154 9.154 19.343 1.00 0.00 C ATOM 3 C MET A 1 -11.896 8.632 18.661 1.00 0.00 C ATOM 4 O MET A 1 -10.919 8.281 19.323 1.00 0.00 O ATOM 5 CB MET A 1 -12.806 10.384 20.183 1.00 0.00 C ATOM 6 CG MET A 1 -14.015 11.060 20.809 1.00 0.00 C ATOM 7 SD MET A 1 -15.253 11.538 19.587 1.00 0.00 S ATOM 8 CE MET A 1 -16.403 12.450 20.613 1.00 0.00 C ATOM 0 H1 MET A 1 -14.674 8.459 20.578 1.00 0.00 H new ATOM 0 H2 MET A 1 -13.954 7.256 19.621 1.00 0.00 H new ATOM 0 H3 MET A 1 -13.133 7.868 20.976 1.00 0.00 H new ATOM 0 HA MET A 1 -13.877 9.432 18.576 1.00 0.00 H new ATOM 0 HB2 MET A 1 -12.116 10.089 20.974 1.00 0.00 H new ATOM 0 HB3 MET A 1 -12.282 11.105 19.555 1.00 0.00 H new ATOM 0 HG2 MET A 1 -14.468 10.385 21.535 1.00 0.00 H new ATOM 0 HG3 MET A 1 -13.689 11.945 21.356 1.00 0.00 H new ATOM 0 HE1 MET A 1 -17.229 12.813 20.000 1.00 0.00 H new ATOM 0 HE2 MET A 1 -16.791 11.796 21.394 1.00 0.00 H new ATOM 0 HE3 MET A 1 -15.891 13.297 21.069 1.00 0.00 H new ATOM 18 N ALA A 2 -11.927 8.584 17.334 1.00 0.00 N ATOM 19 CA ALA A 2 -10.785 8.116 16.559 1.00 0.00 C ATOM 20 C ALA A 2 -10.092 9.285 15.868 1.00 0.00 C ATOM 21 O ALA A 2 -8.943 9.175 15.438 1.00 0.00 O ATOM 22 CB ALA A 2 -11.228 7.077 15.539 1.00 0.00 C ATOM 0 H ALA A 2 -12.731 8.864 16.773 1.00 0.00 H new ATOM 0 HA ALA A 2 -10.072 7.650 17.239 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -10.364 6.737 14.968 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -11.678 6.229 16.055 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -11.959 7.520 14.862 1.00 0.00 H new ATOM 28 N ASP A 3 -10.807 10.405 15.767 1.00 0.00 N ATOM 29 CA ASP A 3 -10.276 11.611 15.135 1.00 0.00 C ATOM 30 C ASP A 3 -9.856 11.342 13.693 1.00 0.00 C ATOM 31 O ASP A 3 -9.163 12.152 13.077 1.00 0.00 O ATOM 32 CB ASP A 3 -9.092 12.155 15.935 1.00 0.00 C ATOM 33 CG ASP A 3 -9.440 12.393 17.391 1.00 0.00 C ATOM 34 OD1 ASP A 3 -9.985 13.472 17.703 1.00 0.00 O ATOM 35 OD2 ASP A 3 -9.167 11.499 18.220 1.00 0.00 O ATOM 0 H ASP A 3 -11.760 10.502 16.117 1.00 0.00 H new ATOM 0 HA ASP A 3 -11.070 12.358 15.123 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -8.261 11.452 15.873 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -8.753 13.089 15.488 1.00 0.00 H new ATOM 40 N GLU A 4 -10.282 10.201 13.162 1.00 0.00 N ATOM 41 CA GLU A 4 -9.955 9.823 11.793 1.00 0.00 C ATOM 42 C GLU A 4 -11.210 9.386 11.045 1.00 0.00 C ATOM 43 O GLU A 4 -11.152 9.026 9.869 1.00 0.00 O ATOM 44 CB GLU A 4 -8.915 8.701 11.782 1.00 0.00 C ATOM 45 CG GLU A 4 -9.311 7.494 12.620 1.00 0.00 C ATOM 46 CD GLU A 4 -8.275 6.389 12.574 1.00 0.00 C ATOM 47 OE1 GLU A 4 -7.351 6.406 13.415 1.00 0.00 O ATOM 48 OE2 GLU A 4 -8.387 5.506 11.698 1.00 0.00 O ATOM 0 H GLU A 4 -10.856 9.521 13.661 1.00 0.00 H new ATOM 0 HA GLU A 4 -9.535 10.693 11.288 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -8.750 8.380 10.753 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -7.967 9.093 12.150 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -9.458 7.806 13.654 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -10.266 7.107 12.265 1.00 0.00 H new ATOM 55 N ASN A 5 -12.342 9.422 11.741 1.00 0.00 N ATOM 56 CA ASN A 5 -13.618 9.033 11.152 1.00 0.00 C ATOM 57 C ASN A 5 -14.519 10.248 10.964 1.00 0.00 C ATOM 58 O ASN A 5 -15.080 10.774 11.925 1.00 0.00 O ATOM 59 CB ASN A 5 -14.315 7.998 12.037 1.00 0.00 C ATOM 60 CG ASN A 5 -13.454 6.776 12.285 1.00 0.00 C ATOM 61 OD1 ASN A 5 -12.644 6.390 11.441 1.00 0.00 O ATOM 62 ND2 ASN A 5 -13.622 6.160 13.448 1.00 0.00 N ATOM 0 H ASN A 5 -12.401 9.717 12.716 1.00 0.00 H new ATOM 0 HA ASN A 5 -13.423 8.592 10.174 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -14.574 8.456 12.991 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -15.249 7.691 11.566 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -13.069 5.333 13.672 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -14.304 6.514 14.119 1.00 0.00 H new ATOM 69 N LYS A 6 -14.649 10.693 9.718 1.00 0.00 N ATOM 70 CA LYS A 6 -15.479 11.848 9.397 1.00 0.00 C ATOM 71 C LYS A 6 -15.817 11.872 7.910 1.00 0.00 C ATOM 72 O LYS A 6 -16.652 12.659 7.465 1.00 0.00 O ATOM 73 CB LYS A 6 -14.762 13.141 9.789 1.00 0.00 C ATOM 74 CG LYS A 6 -13.424 13.326 9.092 1.00 0.00 C ATOM 75 CD LYS A 6 -12.781 14.655 9.458 1.00 0.00 C ATOM 76 CE LYS A 6 -11.430 14.824 8.782 1.00 0.00 C ATOM 77 NZ LYS A 6 -11.540 14.750 7.299 1.00 0.00 N ATOM 0 H LYS A 6 -14.189 10.270 8.912 1.00 0.00 H new ATOM 0 HA LYS A 6 -16.407 11.770 9.964 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -15.405 13.989 9.555 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -14.605 13.148 10.868 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -12.755 12.510 9.365 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -13.565 13.275 8.012 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -13.440 15.472 9.166 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -12.658 14.716 10.539 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -10.999 15.784 9.067 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -10.748 14.051 9.135 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -10.661 15.100 6.868 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -11.698 13.763 7.011 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -12.339 15.335 6.981 1.00 0.00 H new ATOM 91 N TRP A 7 -15.160 11.002 7.150 1.00 0.00 N ATOM 92 CA TRP A 7 -15.381 10.918 5.711 1.00 0.00 C ATOM 93 C TRP A 7 -15.717 9.487 5.299 1.00 0.00 C ATOM 94 O TRP A 7 -15.489 9.088 4.156 1.00 0.00 O ATOM 95 CB TRP A 7 -14.142 11.407 4.958 1.00 0.00 C ATOM 96 CG TRP A 7 -12.911 10.606 5.252 1.00 0.00 C ATOM 97 CD1 TRP A 7 -12.153 10.651 6.388 1.00 0.00 C ATOM 98 CD2 TRP A 7 -12.290 9.641 4.395 1.00 0.00 C ATOM 99 NE1 TRP A 7 -11.104 9.770 6.290 1.00 0.00 N ATOM 100 CE2 TRP A 7 -11.166 9.139 5.076 1.00 0.00 C ATOM 101 CE3 TRP A 7 -12.578 9.152 3.118 1.00 0.00 C ATOM 102 CZ2 TRP A 7 -10.330 8.172 4.522 1.00 0.00 C ATOM 103 CZ3 TRP A 7 -11.747 8.192 2.568 1.00 0.00 C ATOM 104 CH2 TRP A 7 -10.635 7.711 3.270 1.00 0.00 C ATOM 0 H TRP A 7 -14.468 10.343 7.508 1.00 0.00 H new ATOM 0 HA TRP A 7 -16.226 11.557 5.455 1.00 0.00 H new ATOM 0 HB2 TRP A 7 -14.341 11.374 3.887 1.00 0.00 H new ATOM 0 HB3 TRP A 7 -13.958 12.450 5.216 1.00 0.00 H new ATOM 0 HD1 TRP A 7 -12.350 11.287 7.239 1.00 0.00 H new ATOM 0 HE1 TRP A 7 -10.394 9.611 7.005 1.00 0.00 H new ATOM 0 HE3 TRP A 7 -13.434 9.517 2.570 1.00 0.00 H new ATOM 0 HZ2 TRP A 7 -9.472 7.799 5.061 1.00 0.00 H new ATOM 0 HZ3 TRP A 7 -11.959 7.808 1.581 1.00 0.00 H new ATOM 0 HH2 TRP A 7 -10.005 6.961 2.814 1.00 0.00 H new ATOM 115 N VAL A 8 -16.268 8.721 6.236 1.00 0.00 N ATOM 116 CA VAL A 8 -16.636 7.334 5.975 1.00 0.00 C ATOM 117 C VAL A 8 -17.874 7.249 5.085 1.00 0.00 C ATOM 118 O VAL A 8 -18.765 8.096 5.165 1.00 0.00 O ATOM 119 CB VAL A 8 -16.900 6.570 7.289 1.00 0.00 C ATOM 120 CG1 VAL A 8 -18.041 7.210 8.065 1.00 0.00 C ATOM 121 CG2 VAL A 8 -17.193 5.104 7.009 1.00 0.00 C ATOM 0 H VAL A 8 -16.470 9.038 7.184 1.00 0.00 H new ATOM 0 HA VAL A 8 -15.794 6.873 5.458 1.00 0.00 H new ATOM 0 HB VAL A 8 -16.000 6.626 7.902 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -18.210 6.655 8.988 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -17.785 8.242 8.304 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -18.948 7.192 7.460 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -17.376 4.584 7.949 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -18.074 5.024 6.372 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -16.339 4.652 6.505 1.00 0.00 H new ATOM 131 N ARG A 9 -17.910 6.225 4.232 1.00 0.00 N ATOM 132 CA ARG A 9 -19.031 5.999 3.316 1.00 0.00 C ATOM 133 C ARG A 9 -19.052 7.023 2.193 1.00 0.00 C ATOM 134 O ARG A 9 -19.688 6.801 1.162 1.00 0.00 O ATOM 135 CB ARG A 9 -20.364 6.005 4.072 1.00 0.00 C ATOM 136 CG ARG A 9 -21.548 5.546 3.237 1.00 0.00 C ATOM 137 CD ARG A 9 -22.852 5.668 4.010 1.00 0.00 C ATOM 138 NE ARG A 9 -22.846 4.862 5.227 1.00 0.00 N ATOM 139 CZ ARG A 9 -23.719 5.013 6.219 1.00 0.00 C ATOM 140 NH1 ARG A 9 -24.665 5.940 6.141 1.00 0.00 N ATOM 141 NH2 ARG A 9 -23.646 4.236 7.292 1.00 0.00 N ATOM 0 H ARG A 9 -17.167 5.531 4.156 1.00 0.00 H new ATOM 0 HA ARG A 9 -18.891 5.016 2.867 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -20.277 5.360 4.947 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -20.559 7.013 4.437 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -21.606 6.142 2.326 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -21.400 4.510 2.931 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -23.023 6.713 4.269 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -23.681 5.357 3.374 1.00 0.00 H new ATOM 0 HE ARG A 9 -22.131 4.141 5.322 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -24.725 6.540 5.318 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -25.333 6.053 6.904 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -22.920 3.522 7.356 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -24.316 4.352 8.052 1.00 0.00 H new ATOM 155 N ARG A 10 -18.369 8.141 2.383 1.00 0.00 N ATOM 156 CA ARG A 10 -18.313 9.150 1.346 1.00 0.00 C ATOM 157 C ARG A 10 -17.624 8.563 0.126 1.00 0.00 C ATOM 158 O ARG A 10 -16.405 8.395 0.117 1.00 0.00 O ATOM 159 CB ARG A 10 -17.566 10.392 1.834 1.00 0.00 C ATOM 160 CG ARG A 10 -18.299 11.157 2.922 1.00 0.00 C ATOM 161 CD ARG A 10 -17.611 12.475 3.232 1.00 0.00 C ATOM 162 NE ARG A 10 -17.609 13.371 2.078 1.00 0.00 N ATOM 163 CZ ARG A 10 -18.159 14.581 2.080 1.00 0.00 C ATOM 164 NH1 ARG A 10 -18.756 15.040 3.173 1.00 0.00 N ATOM 165 NH2 ARG A 10 -18.118 15.332 0.989 1.00 0.00 N ATOM 0 H ARG A 10 -17.854 8.368 3.234 1.00 0.00 H new ATOM 0 HA ARG A 10 -19.327 9.454 1.085 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -16.587 10.093 2.209 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -17.393 11.057 0.988 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -19.326 11.346 2.608 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -18.349 10.549 3.826 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -18.115 12.960 4.068 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -16.585 12.284 3.546 1.00 0.00 H new ATOM 0 HE ARG A 10 -17.159 13.049 1.221 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -18.793 14.464 4.014 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -19.177 15.969 3.172 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -17.664 14.982 0.146 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -18.541 16.260 0.993 1.00 0.00 H new ATOM 179 N ASP A 11 -18.421 8.231 -0.888 1.00 0.00 N ATOM 180 CA ASP A 11 -17.906 7.646 -2.121 1.00 0.00 C ATOM 181 C ASP A 11 -17.421 6.214 -1.900 1.00 0.00 C ATOM 182 O ASP A 11 -16.754 5.644 -2.764 1.00 0.00 O ATOM 183 CB ASP A 11 -16.761 8.488 -2.675 1.00 0.00 C ATOM 184 CG ASP A 11 -17.210 9.867 -3.114 1.00 0.00 C ATOM 185 OD1 ASP A 11 -17.703 9.995 -4.255 1.00 0.00 O ATOM 186 OD2 ASP A 11 -17.067 10.819 -2.320 1.00 0.00 O ATOM 0 H ASP A 11 -19.433 8.359 -0.877 1.00 0.00 H new ATOM 0 HA ASP A 11 -18.726 7.628 -2.839 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -15.987 8.587 -1.914 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -16.311 7.970 -3.522 1.00 0.00 H new ATOM 191 N VAL A 12 -17.753 5.632 -0.747 1.00 0.00 N ATOM 192 CA VAL A 12 -17.333 4.267 -0.444 1.00 0.00 C ATOM 193 C VAL A 12 -17.768 3.313 -1.552 1.00 0.00 C ATOM 194 O VAL A 12 -16.945 2.592 -2.114 1.00 0.00 O ATOM 195 CB VAL A 12 -17.878 3.772 0.915 1.00 0.00 C ATOM 196 CG1 VAL A 12 -19.396 3.653 0.899 1.00 0.00 C ATOM 197 CG2 VAL A 12 -17.240 2.444 1.292 1.00 0.00 C ATOM 0 H VAL A 12 -18.305 6.080 -0.016 1.00 0.00 H new ATOM 0 HA VAL A 12 -16.245 4.280 -0.380 1.00 0.00 H new ATOM 0 HB VAL A 12 -17.614 4.513 1.669 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -19.744 3.302 1.871 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -19.835 4.628 0.686 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -19.697 2.943 0.128 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -17.635 2.110 2.251 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -17.467 1.701 0.527 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -16.160 2.568 1.368 1.00 0.00 H new ATOM 207 N SER A 13 -19.061 3.324 -1.867 1.00 0.00 N ATOM 208 CA SER A 13 -19.607 2.475 -2.915 1.00 0.00 C ATOM 209 C SER A 13 -19.208 1.012 -2.715 1.00 0.00 C ATOM 210 O SER A 13 -19.935 0.246 -2.081 1.00 0.00 O ATOM 211 CB SER A 13 -19.126 2.986 -4.268 1.00 0.00 C ATOM 212 OG SER A 13 -19.683 2.234 -5.332 1.00 0.00 O ATOM 0 H SER A 13 -19.752 3.917 -1.406 1.00 0.00 H new ATOM 0 HA SER A 13 -20.695 2.518 -2.873 1.00 0.00 H new ATOM 0 HB2 SER A 13 -19.399 4.035 -4.380 1.00 0.00 H new ATOM 0 HB3 SER A 13 -18.038 2.933 -4.313 1.00 0.00 H new ATOM 0 HG SER A 13 -19.358 2.586 -6.187 1.00 0.00 H new ATOM 218 N THR A 14 -18.055 0.628 -3.259 1.00 0.00 N ATOM 219 CA THR A 14 -17.564 -0.740 -3.125 1.00 0.00 C ATOM 220 C THR A 14 -17.123 -1.013 -1.692 1.00 0.00 C ATOM 221 O THR A 14 -17.074 -0.099 -0.868 1.00 0.00 O ATOM 222 CB THR A 14 -16.392 -1.012 -4.082 1.00 0.00 C ATOM 223 OG1 THR A 14 -15.391 0.001 -3.930 1.00 0.00 O ATOM 224 CG2 THR A 14 -16.871 -1.047 -5.526 1.00 0.00 C ATOM 0 H THR A 14 -17.445 1.244 -3.796 1.00 0.00 H new ATOM 0 HA THR A 14 -18.386 -1.408 -3.385 1.00 0.00 H new ATOM 0 HB THR A 14 -15.965 -1.984 -3.833 1.00 0.00 H new ATOM 0 HG1 THR A 14 -15.067 0.276 -4.813 1.00 0.00 H new ATOM 0 HG21 THR A 14 -16.025 -1.241 -6.185 1.00 0.00 H new ATOM 0 HG22 THR A 14 -17.612 -1.838 -5.644 1.00 0.00 H new ATOM 0 HG23 THR A 14 -17.320 -0.088 -5.784 1.00 0.00 H new ATOM 232 N ALA A 15 -16.800 -2.270 -1.389 1.00 0.00 N ATOM 233 CA ALA A 15 -16.383 -2.632 -0.038 1.00 0.00 C ATOM 234 C ALA A 15 -14.864 -2.649 0.119 1.00 0.00 C ATOM 235 O ALA A 15 -14.295 -1.790 0.789 1.00 0.00 O ATOM 236 CB ALA A 15 -16.967 -3.986 0.338 1.00 0.00 C ATOM 0 H ALA A 15 -16.819 -3.045 -2.052 1.00 0.00 H new ATOM 0 HA ALA A 15 -16.764 -1.866 0.637 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -16.652 -4.250 1.347 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -18.055 -3.937 0.299 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -16.613 -4.742 -0.362 1.00 0.00 H new ATOM 242 N LEU A 16 -14.211 -3.631 -0.498 1.00 0.00 N ATOM 243 CA LEU A 16 -12.756 -3.758 -0.408 1.00 0.00 C ATOM 244 C LEU A 16 -12.033 -2.953 -1.486 1.00 0.00 C ATOM 245 O LEU A 16 -10.853 -2.633 -1.341 1.00 0.00 O ATOM 246 CB LEU A 16 -12.333 -5.242 -0.454 1.00 0.00 C ATOM 247 CG LEU A 16 -12.404 -5.956 -1.820 1.00 0.00 C ATOM 248 CD1 LEU A 16 -13.715 -5.669 -2.535 1.00 0.00 C ATOM 249 CD2 LEU A 16 -11.220 -5.583 -2.703 1.00 0.00 C ATOM 0 H LEU A 16 -14.663 -4.349 -1.064 1.00 0.00 H new ATOM 0 HA LEU A 16 -12.458 -3.339 0.553 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -11.308 -5.312 -0.090 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -12.959 -5.793 0.248 1.00 0.00 H new ATOM 0 HG LEU A 16 -12.358 -7.027 -1.623 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -13.728 -6.189 -3.493 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -14.547 -6.016 -1.922 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -13.811 -4.596 -2.703 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -11.300 -6.103 -3.658 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -11.219 -4.507 -2.875 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -10.292 -5.872 -2.209 1.00 0.00 H new ATOM 261 N SER A 17 -12.739 -2.627 -2.563 1.00 0.00 N ATOM 262 CA SER A 17 -12.140 -1.885 -3.671 1.00 0.00 C ATOM 263 C SER A 17 -11.873 -0.424 -3.314 1.00 0.00 C ATOM 264 O SER A 17 -10.759 0.067 -3.501 1.00 0.00 O ATOM 265 CB SER A 17 -13.041 -1.963 -4.905 1.00 0.00 C ATOM 266 OG SER A 17 -13.297 -3.309 -5.268 1.00 0.00 O ATOM 0 H SER A 17 -13.723 -2.863 -2.694 1.00 0.00 H new ATOM 0 HA SER A 17 -11.178 -2.350 -3.887 1.00 0.00 H new ATOM 0 HB2 SER A 17 -13.983 -1.452 -4.704 1.00 0.00 H new ATOM 0 HB3 SER A 17 -12.568 -1.443 -5.738 1.00 0.00 H new ATOM 0 HG SER A 17 -13.876 -3.330 -6.058 1.00 0.00 H new ATOM 272 N ARG A 18 -12.885 0.270 -2.801 1.00 0.00 N ATOM 273 CA ARG A 18 -12.726 1.678 -2.441 1.00 0.00 C ATOM 274 C ARG A 18 -13.403 2.000 -1.112 1.00 0.00 C ATOM 275 O ARG A 18 -14.614 2.203 -1.050 1.00 0.00 O ATOM 276 CB ARG A 18 -13.290 2.575 -3.546 1.00 0.00 C ATOM 277 CG ARG A 18 -13.176 4.060 -3.243 1.00 0.00 C ATOM 278 CD ARG A 18 -13.555 4.908 -4.446 1.00 0.00 C ATOM 279 NE ARG A 18 -12.666 4.675 -5.581 1.00 0.00 N ATOM 280 CZ ARG A 18 -12.477 5.550 -6.565 1.00 0.00 C ATOM 281 NH1 ARG A 18 -13.111 6.716 -6.552 1.00 0.00 N ATOM 282 NH2 ARG A 18 -11.653 5.261 -7.562 1.00 0.00 N ATOM 0 H ARG A 18 -13.814 -0.113 -2.626 1.00 0.00 H new ATOM 0 HA ARG A 18 -11.659 1.870 -2.329 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -12.766 2.362 -4.478 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -14.339 2.325 -3.705 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -13.823 4.311 -2.402 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -12.155 4.293 -2.940 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -14.581 4.685 -4.738 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -13.523 5.962 -4.171 1.00 0.00 H new ATOM 0 HE ARG A 18 -12.161 3.790 -5.622 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -13.745 6.943 -5.786 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -12.964 7.385 -7.308 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -11.163 4.367 -7.576 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -11.509 5.933 -8.316 1.00 0.00 H new ATOM 296 N MET A 19 -12.605 2.037 -0.050 1.00 0.00 N ATOM 297 CA MET A 19 -13.110 2.342 1.283 1.00 0.00 C ATOM 298 C MET A 19 -12.206 3.349 1.987 1.00 0.00 C ATOM 299 O MET A 19 -12.681 4.286 2.628 1.00 0.00 O ATOM 300 CB MET A 19 -13.226 1.062 2.109 1.00 0.00 C ATOM 301 CG MET A 19 -12.182 0.017 1.756 1.00 0.00 C ATOM 302 SD MET A 19 -10.582 0.325 2.526 1.00 0.00 S ATOM 303 CE MET A 19 -9.601 -0.976 1.783 1.00 0.00 C ATOM 0 H MET A 19 -11.601 1.859 -0.088 1.00 0.00 H new ATOM 0 HA MET A 19 -14.100 2.786 1.182 1.00 0.00 H new ATOM 0 HB2 MET A 19 -13.136 1.312 3.166 1.00 0.00 H new ATOM 0 HB3 MET A 19 -14.219 0.635 1.966 1.00 0.00 H new ATOM 0 HG2 MET A 19 -12.542 -0.965 2.062 1.00 0.00 H new ATOM 0 HG3 MET A 19 -12.058 -0.012 0.674 1.00 0.00 H new ATOM 0 HE1 MET A 19 -8.604 -0.977 2.224 1.00 0.00 H new ATOM 0 HE2 MET A 19 -10.079 -1.939 1.962 1.00 0.00 H new ATOM 0 HE3 MET A 19 -9.522 -0.804 0.709 1.00 0.00 H new ATOM 313 N GLY A 20 -10.899 3.143 1.859 1.00 0.00 N ATOM 314 CA GLY A 20 -9.940 4.037 2.478 1.00 0.00 C ATOM 315 C GLY A 20 -9.455 3.551 3.832 1.00 0.00 C ATOM 316 O GLY A 20 -8.284 3.722 4.171 1.00 0.00 O ATOM 0 H GLY A 20 -10.487 2.370 1.336 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -9.084 4.156 1.814 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -10.393 5.021 2.594 1.00 0.00 H new ATOM 320 N ASP A 21 -10.349 2.942 4.607 1.00 0.00 N ATOM 321 CA ASP A 21 -9.985 2.450 5.935 1.00 0.00 C ATOM 322 C ASP A 21 -10.960 1.387 6.450 1.00 0.00 C ATOM 323 O ASP A 21 -10.645 0.655 7.388 1.00 0.00 O ATOM 324 CB ASP A 21 -9.929 3.619 6.923 1.00 0.00 C ATOM 325 CG ASP A 21 -9.746 3.165 8.358 1.00 0.00 C ATOM 326 OD1 ASP A 21 -8.614 2.791 8.723 1.00 0.00 O ATOM 327 OD2 ASP A 21 -10.739 3.181 9.116 1.00 0.00 O ATOM 0 H ASP A 21 -11.321 2.778 4.343 1.00 0.00 H new ATOM 0 HA ASP A 21 -9.004 1.981 5.851 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -9.108 4.282 6.649 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -10.848 4.200 6.845 1.00 0.00 H new ATOM 332 N GLU A 22 -12.137 1.298 5.837 1.00 0.00 N ATOM 333 CA GLU A 22 -13.145 0.333 6.265 1.00 0.00 C ATOM 334 C GLU A 22 -12.713 -1.109 5.994 1.00 0.00 C ATOM 335 O GLU A 22 -12.870 -1.978 6.852 1.00 0.00 O ATOM 336 CB GLU A 22 -14.474 0.616 5.564 1.00 0.00 C ATOM 337 CG GLU A 22 -14.992 2.028 5.788 1.00 0.00 C ATOM 338 CD GLU A 22 -15.228 2.340 7.253 1.00 0.00 C ATOM 339 OE1 GLU A 22 -16.156 1.749 7.844 1.00 0.00 O ATOM 340 OE2 GLU A 22 -14.483 3.173 7.811 1.00 0.00 O ATOM 0 H GLU A 22 -12.415 1.879 5.046 1.00 0.00 H new ATOM 0 HA GLU A 22 -13.265 0.445 7.343 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -14.354 0.448 4.494 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -15.220 -0.096 5.917 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -14.277 2.742 5.380 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -15.924 2.160 5.238 1.00 0.00 H new ATOM 347 N ALA A 23 -12.171 -1.365 4.805 1.00 0.00 N ATOM 348 CA ALA A 23 -11.733 -2.714 4.448 1.00 0.00 C ATOM 349 C ALA A 23 -10.214 -2.843 4.456 1.00 0.00 C ATOM 350 O ALA A 23 -9.679 -3.918 4.184 1.00 0.00 O ATOM 351 CB ALA A 23 -12.290 -3.119 3.093 1.00 0.00 C ATOM 0 H ALA A 23 -12.025 -0.664 4.078 1.00 0.00 H new ATOM 0 HA ALA A 23 -12.124 -3.390 5.208 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -11.952 -4.126 2.847 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -13.379 -3.100 3.127 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -11.939 -2.422 2.332 1.00 0.00 H new ATOM 357 N PHE A 24 -9.521 -1.750 4.765 1.00 0.00 N ATOM 358 CA PHE A 24 -8.069 -1.755 4.814 1.00 0.00 C ATOM 359 C PHE A 24 -7.570 -2.887 5.703 1.00 0.00 C ATOM 360 O PHE A 24 -6.698 -3.660 5.313 1.00 0.00 O ATOM 361 CB PHE A 24 -7.568 -0.410 5.340 1.00 0.00 C ATOM 362 CG PHE A 24 -6.141 -0.092 4.985 1.00 0.00 C ATOM 363 CD1 PHE A 24 -5.267 -1.075 4.539 1.00 0.00 C ATOM 364 CD2 PHE A 24 -5.672 1.203 5.107 1.00 0.00 C ATOM 365 CE1 PHE A 24 -3.962 -0.770 4.227 1.00 0.00 C ATOM 366 CE2 PHE A 24 -4.368 1.513 4.795 1.00 0.00 C ATOM 367 CZ PHE A 24 -3.510 0.526 4.356 1.00 0.00 C ATOM 0 H PHE A 24 -9.947 -0.850 4.985 1.00 0.00 H new ATOM 0 HA PHE A 24 -7.682 -1.913 3.807 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -8.210 0.380 4.951 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -7.670 -0.398 6.425 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -5.616 -2.092 4.436 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -6.337 1.981 5.451 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -3.293 -1.544 3.882 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -4.016 2.529 4.894 1.00 0.00 H new ATOM 0 HZ PHE A 24 -2.486 0.768 4.114 1.00 0.00 H new ATOM 377 N GLU A 25 -8.119 -2.973 6.904 1.00 0.00 N ATOM 378 CA GLU A 25 -7.729 -4.017 7.838 1.00 0.00 C ATOM 379 C GLU A 25 -8.070 -5.413 7.306 1.00 0.00 C ATOM 380 O GLU A 25 -7.180 -6.250 7.185 1.00 0.00 O ATOM 381 CB GLU A 25 -8.381 -3.800 9.194 1.00 0.00 C ATOM 382 CG GLU A 25 -7.418 -3.309 10.261 1.00 0.00 C ATOM 383 CD GLU A 25 -8.075 -3.172 11.620 1.00 0.00 C ATOM 384 OE1 GLU A 25 -8.112 -4.175 12.364 1.00 0.00 O ATOM 385 OE2 GLU A 25 -8.554 -2.064 11.940 1.00 0.00 O ATOM 0 H GLU A 25 -8.834 -2.335 7.254 1.00 0.00 H new ATOM 0 HA GLU A 25 -6.647 -3.958 7.953 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -9.190 -3.078 9.087 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -8.831 -4.736 9.525 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -6.580 -4.002 10.335 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -7.009 -2.344 9.960 1.00 0.00 H new ATOM 392 N PRO A 26 -9.363 -5.697 6.991 1.00 0.00 N ATOM 393 CA PRO A 26 -9.768 -7.006 6.473 1.00 0.00 C ATOM 394 C PRO A 26 -8.800 -7.512 5.415 1.00 0.00 C ATOM 395 O PRO A 26 -8.600 -8.716 5.255 1.00 0.00 O ATOM 396 CB PRO A 26 -11.136 -6.742 5.851 1.00 0.00 C ATOM 397 CG PRO A 26 -11.687 -5.568 6.587 1.00 0.00 C ATOM 398 CD PRO A 26 -10.513 -4.778 7.113 1.00 0.00 C ATOM 0 HA PRO A 26 -9.785 -7.768 7.252 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -11.049 -6.532 4.785 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -11.787 -7.610 5.952 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -12.299 -4.953 5.927 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -12.329 -5.894 7.406 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -10.356 -3.868 6.535 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -10.671 -4.475 8.148 1.00 0.00 H new ATOM 406 N LEU A 27 -8.209 -6.571 4.693 1.00 0.00 N ATOM 407 CA LEU A 27 -7.240 -6.883 3.657 1.00 0.00 C ATOM 408 C LEU A 27 -6.018 -7.566 4.262 1.00 0.00 C ATOM 409 O LEU A 27 -5.654 -8.675 3.871 1.00 0.00 O ATOM 410 CB LEU A 27 -6.821 -5.596 2.953 1.00 0.00 C ATOM 411 CG LEU A 27 -7.808 -5.057 1.916 1.00 0.00 C ATOM 412 CD1 LEU A 27 -7.391 -3.667 1.461 1.00 0.00 C ATOM 413 CD2 LEU A 27 -7.898 -5.999 0.726 1.00 0.00 C ATOM 0 H LEU A 27 -8.388 -5.574 4.810 1.00 0.00 H new ATOM 0 HA LEU A 27 -7.695 -7.562 2.936 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -6.659 -4.827 3.708 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -5.863 -5.767 2.462 1.00 0.00 H new ATOM 0 HG LEU A 27 -8.793 -4.991 2.378 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -8.103 -3.297 0.723 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -7.373 -2.994 2.318 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -6.397 -3.713 1.015 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -8.605 -5.600 -0.002 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -6.916 -6.095 0.263 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -8.238 -6.978 1.062 1.00 0.00 H new ATOM 425 N LEU A 28 -5.391 -6.890 5.223 1.00 0.00 N ATOM 426 CA LEU A 28 -4.215 -7.425 5.898 1.00 0.00 C ATOM 427 C LEU A 28 -4.608 -8.599 6.783 1.00 0.00 C ATOM 428 O LEU A 28 -3.769 -9.413 7.167 1.00 0.00 O ATOM 429 CB LEU A 28 -3.539 -6.334 6.736 1.00 0.00 C ATOM 430 CG LEU A 28 -4.138 -6.114 8.128 1.00 0.00 C ATOM 431 CD1 LEU A 28 -3.316 -6.838 9.184 1.00 0.00 C ATOM 432 CD2 LEU A 28 -4.223 -4.630 8.446 1.00 0.00 C ATOM 0 H LEU A 28 -5.680 -5.968 5.551 1.00 0.00 H new ATOM 0 HA LEU A 28 -3.508 -7.773 5.145 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -2.484 -6.586 6.848 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -3.586 -5.394 6.185 1.00 0.00 H new ATOM 0 HG LEU A 28 -5.147 -6.525 8.135 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -3.757 -6.670 10.167 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -3.307 -7.906 8.968 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -2.295 -6.457 9.175 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -4.651 -4.495 9.439 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -3.224 -4.194 8.419 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -4.855 -4.135 7.708 1.00 0.00 H new ATOM 444 N GLU A 29 -5.893 -8.673 7.111 1.00 0.00 N ATOM 445 CA GLU A 29 -6.405 -9.749 7.943 1.00 0.00 C ATOM 446 C GLU A 29 -6.452 -11.043 7.141 1.00 0.00 C ATOM 447 O GLU A 29 -6.142 -12.120 7.650 1.00 0.00 O ATOM 448 CB GLU A 29 -7.801 -9.403 8.468 1.00 0.00 C ATOM 449 CG GLU A 29 -8.411 -10.487 9.344 1.00 0.00 C ATOM 450 CD GLU A 29 -7.573 -10.786 10.572 1.00 0.00 C ATOM 451 OE1 GLU A 29 -6.634 -11.603 10.465 1.00 0.00 O ATOM 452 OE2 GLU A 29 -7.856 -10.204 11.640 1.00 0.00 O ATOM 0 H GLU A 29 -6.598 -7.999 6.812 1.00 0.00 H new ATOM 0 HA GLU A 29 -5.739 -9.881 8.796 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -7.745 -8.476 9.038 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -8.462 -9.217 7.622 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -9.409 -10.178 9.656 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -8.528 -11.399 8.758 1.00 0.00 H new ATOM 459 N SER A 30 -6.846 -10.919 5.875 1.00 0.00 N ATOM 460 CA SER A 30 -6.938 -12.063 4.979 1.00 0.00 C ATOM 461 C SER A 30 -5.558 -12.650 4.693 1.00 0.00 C ATOM 462 O SER A 30 -5.441 -13.693 4.053 1.00 0.00 O ATOM 463 CB SER A 30 -7.611 -11.655 3.667 1.00 0.00 C ATOM 464 OG SER A 30 -8.871 -11.051 3.906 1.00 0.00 O ATOM 0 H SER A 30 -7.107 -10.031 5.447 1.00 0.00 H new ATOM 0 HA SER A 30 -7.541 -12.827 5.470 1.00 0.00 H new ATOM 0 HB2 SER A 30 -6.968 -10.961 3.126 1.00 0.00 H new ATOM 0 HB3 SER A 30 -7.739 -12.532 3.032 1.00 0.00 H new ATOM 0 HG SER A 30 -8.739 -10.161 4.295 1.00 0.00 H new ATOM 470 N LEU A 31 -4.512 -11.969 5.158 1.00 0.00 N ATOM 471 CA LEU A 31 -3.147 -12.440 4.951 1.00 0.00 C ATOM 472 C LEU A 31 -2.947 -13.801 5.608 1.00 0.00 C ATOM 473 O LEU A 31 -2.022 -14.538 5.267 1.00 0.00 O ATOM 474 CB LEU A 31 -2.138 -11.437 5.521 1.00 0.00 C ATOM 475 CG LEU A 31 -2.065 -10.092 4.794 1.00 0.00 C ATOM 476 CD1 LEU A 31 -1.137 -9.140 5.534 1.00 0.00 C ATOM 477 CD2 LEU A 31 -1.598 -10.282 3.358 1.00 0.00 C ATOM 0 H LEU A 31 -4.584 -11.094 5.678 1.00 0.00 H new ATOM 0 HA LEU A 31 -2.981 -12.536 3.878 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -2.386 -11.252 6.566 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -1.148 -11.894 5.504 1.00 0.00 H new ATOM 0 HG LEU A 31 -3.064 -9.657 4.774 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -1.095 -8.188 5.005 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -1.513 -8.978 6.544 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -0.137 -9.572 5.584 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -1.553 -9.314 2.859 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -0.608 -10.738 3.355 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -2.298 -10.930 2.830 1.00 0.00 H new ATOM 489 N SER A 32 -3.822 -14.125 6.553 1.00 0.00 N ATOM 490 CA SER A 32 -3.749 -15.398 7.264 1.00 0.00 C ATOM 491 C SER A 32 -4.611 -16.457 6.583 1.00 0.00 C ATOM 492 O SER A 32 -4.857 -17.526 7.144 1.00 0.00 O ATOM 493 CB SER A 32 -4.201 -15.219 8.714 1.00 0.00 C ATOM 494 OG SER A 32 -5.542 -14.769 8.778 1.00 0.00 O ATOM 0 H SER A 32 -4.592 -13.523 6.846 1.00 0.00 H new ATOM 0 HA SER A 32 -2.712 -15.734 7.247 1.00 0.00 H new ATOM 0 HB2 SER A 32 -4.106 -16.165 9.247 1.00 0.00 H new ATOM 0 HB3 SER A 32 -3.550 -14.503 9.216 1.00 0.00 H new ATOM 0 HG SER A 32 -5.587 -13.833 8.491 1.00 0.00 H new ATOM 500 N ASN A 33 -5.066 -16.156 5.371 1.00 0.00 N ATOM 501 CA ASN A 33 -5.905 -17.083 4.618 1.00 0.00 C ATOM 502 C ASN A 33 -5.084 -18.262 4.106 1.00 0.00 C ATOM 503 O ASN A 33 -3.953 -18.092 3.653 1.00 0.00 O ATOM 504 CB ASN A 33 -6.574 -16.361 3.446 1.00 0.00 C ATOM 505 CG ASN A 33 -7.777 -17.114 2.915 1.00 0.00 C ATOM 506 OD1 ASN A 33 -7.662 -17.917 1.988 1.00 0.00 O ATOM 507 ND2 ASN A 33 -8.940 -16.859 3.501 1.00 0.00 N ATOM 0 H ASN A 33 -4.869 -15.279 4.889 1.00 0.00 H new ATOM 0 HA ASN A 33 -6.677 -17.464 5.287 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -6.883 -15.366 3.765 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -5.849 -16.228 2.643 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -9.785 -17.336 3.187 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -8.989 -16.186 4.266 1.00 0.00 H new ATOM 514 N GLU A 34 -5.664 -19.456 4.183 1.00 0.00 N ATOM 515 CA GLU A 34 -4.994 -20.664 3.732 1.00 0.00 C ATOM 516 C GLU A 34 -4.723 -20.607 2.230 1.00 0.00 C ATOM 517 O GLU A 34 -3.733 -21.154 1.746 1.00 0.00 O ATOM 518 CB GLU A 34 -5.849 -21.883 4.079 1.00 0.00 C ATOM 519 CG GLU A 34 -5.380 -23.170 3.425 1.00 0.00 C ATOM 520 CD GLU A 34 -4.018 -23.617 3.920 1.00 0.00 C ATOM 521 OE1 GLU A 34 -3.001 -23.142 3.372 1.00 0.00 O ATOM 522 OE2 GLU A 34 -3.970 -24.445 4.854 1.00 0.00 O ATOM 0 H GLU A 34 -6.601 -19.610 4.556 1.00 0.00 H new ATOM 0 HA GLU A 34 -4.033 -20.745 4.240 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -5.851 -22.017 5.161 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -6.879 -21.689 3.779 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -6.109 -23.957 3.619 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -5.341 -23.030 2.345 1.00 0.00 H new ATOM 529 N ASP A 35 -5.609 -19.936 1.500 1.00 0.00 N ATOM 530 CA ASP A 35 -5.463 -19.803 0.055 1.00 0.00 C ATOM 531 C ASP A 35 -4.410 -18.751 -0.281 1.00 0.00 C ATOM 532 O ASP A 35 -4.238 -17.778 0.454 1.00 0.00 O ATOM 533 CB ASP A 35 -6.805 -19.429 -0.581 1.00 0.00 C ATOM 534 CG ASP A 35 -6.773 -19.514 -2.094 1.00 0.00 C ATOM 535 OD1 ASP A 35 -6.324 -18.542 -2.735 1.00 0.00 O ATOM 536 OD2 ASP A 35 -7.199 -20.554 -2.640 1.00 0.00 O ATOM 0 H ASP A 35 -6.434 -19.477 1.885 1.00 0.00 H new ATOM 0 HA ASP A 35 -5.137 -20.761 -0.349 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -7.582 -20.092 -0.199 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -7.075 -18.416 -0.283 1.00 0.00 H new ATOM 541 N TRP A 36 -3.707 -18.950 -1.391 1.00 0.00 N ATOM 542 CA TRP A 36 -2.664 -18.019 -1.811 1.00 0.00 C ATOM 543 C TRP A 36 -3.227 -16.914 -2.701 1.00 0.00 C ATOM 544 O TRP A 36 -2.837 -15.752 -2.581 1.00 0.00 O ATOM 545 CB TRP A 36 -1.540 -18.765 -2.537 1.00 0.00 C ATOM 546 CG TRP A 36 -1.999 -19.535 -3.737 1.00 0.00 C ATOM 547 CD1 TRP A 36 -2.686 -20.715 -3.742 1.00 0.00 C ATOM 548 CD2 TRP A 36 -1.793 -19.186 -5.110 1.00 0.00 C ATOM 549 NE1 TRP A 36 -2.923 -21.118 -5.034 1.00 0.00 N ATOM 550 CE2 TRP A 36 -2.384 -20.196 -5.890 1.00 0.00 C ATOM 551 CE3 TRP A 36 -1.168 -18.116 -5.756 1.00 0.00 C ATOM 552 CZ2 TRP A 36 -2.370 -20.169 -7.280 1.00 0.00 C ATOM 553 CZ3 TRP A 36 -1.153 -18.090 -7.138 1.00 0.00 C ATOM 554 CH2 TRP A 36 -1.752 -19.111 -7.886 1.00 0.00 C ATOM 0 H TRP A 36 -3.840 -19.746 -2.015 1.00 0.00 H new ATOM 0 HA TRP A 36 -2.257 -17.552 -0.914 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -0.781 -18.046 -2.847 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -1.062 -19.451 -1.838 1.00 0.00 H new ATOM 0 HD1 TRP A 36 -2.998 -21.253 -2.859 1.00 0.00 H new ATOM 0 HE1 TRP A 36 -3.419 -21.965 -5.310 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -0.705 -17.324 -5.186 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 -2.831 -20.955 -7.860 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -0.672 -17.269 -7.649 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -1.725 -19.062 -8.965 1.00 0.00 H new ATOM 565 N ARG A 37 -4.140 -17.277 -3.597 1.00 0.00 N ATOM 566 CA ARG A 37 -4.751 -16.310 -4.496 1.00 0.00 C ATOM 567 C ARG A 37 -5.487 -15.230 -3.708 1.00 0.00 C ATOM 568 O ARG A 37 -5.663 -14.107 -4.185 1.00 0.00 O ATOM 569 CB ARG A 37 -5.719 -17.013 -5.449 1.00 0.00 C ATOM 570 CG ARG A 37 -6.337 -16.083 -6.475 1.00 0.00 C ATOM 571 CD ARG A 37 -7.288 -16.823 -7.402 1.00 0.00 C ATOM 572 NE ARG A 37 -7.948 -15.921 -8.342 1.00 0.00 N ATOM 573 CZ ARG A 37 -8.905 -16.302 -9.183 1.00 0.00 C ATOM 574 NH1 ARG A 37 -9.305 -17.567 -9.207 1.00 0.00 N ATOM 575 NH2 ARG A 37 -9.460 -15.421 -10.003 1.00 0.00 N ATOM 0 H ARG A 37 -4.471 -18.234 -3.718 1.00 0.00 H new ATOM 0 HA ARG A 37 -3.960 -15.836 -5.078 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -5.190 -17.813 -5.967 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -6.514 -17.480 -4.868 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -6.874 -15.283 -5.965 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -5.548 -15.613 -7.062 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -6.737 -17.583 -7.955 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -8.041 -17.343 -6.809 1.00 0.00 H new ATOM 0 HE ARG A 37 -7.658 -14.943 -8.354 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -8.878 -18.249 -8.580 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -10.039 -17.858 -9.853 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -9.153 -14.448 -9.990 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -10.194 -15.716 -10.647 1.00 0.00 H new ATOM 589 N ILE A 38 -5.910 -15.579 -2.497 1.00 0.00 N ATOM 590 CA ILE A 38 -6.627 -14.647 -1.634 1.00 0.00 C ATOM 591 C ILE A 38 -5.660 -13.710 -0.914 1.00 0.00 C ATOM 592 O ILE A 38 -5.863 -12.496 -0.888 1.00 0.00 O ATOM 593 CB ILE A 38 -7.482 -15.396 -0.591 1.00 0.00 C ATOM 594 CG1 ILE A 38 -8.517 -16.286 -1.289 1.00 0.00 C ATOM 595 CG2 ILE A 38 -8.164 -14.414 0.353 1.00 0.00 C ATOM 596 CD1 ILE A 38 -9.551 -15.518 -2.086 1.00 0.00 C ATOM 0 H ILE A 38 -5.768 -16.504 -2.090 1.00 0.00 H new ATOM 0 HA ILE A 38 -7.284 -14.059 -2.274 1.00 0.00 H new ATOM 0 HB ILE A 38 -6.824 -16.032 0.001 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -7.998 -16.976 -1.955 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -9.027 -16.890 -0.539 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -8.762 -14.964 1.080 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -7.409 -13.826 0.874 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -8.810 -13.749 -0.219 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -10.247 -16.218 -2.549 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -10.098 -14.848 -1.422 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -9.053 -14.935 -2.861 1.00 0.00 H new ATOM 608 N ARG A 39 -4.610 -14.282 -0.330 1.00 0.00 N ATOM 609 CA ARG A 39 -3.612 -13.496 0.388 1.00 0.00 C ATOM 610 C ARG A 39 -2.886 -12.542 -0.559 1.00 0.00 C ATOM 611 O ARG A 39 -2.323 -11.535 -0.130 1.00 0.00 O ATOM 612 CB ARG A 39 -2.606 -14.423 1.079 1.00 0.00 C ATOM 613 CG ARG A 39 -1.463 -13.688 1.763 1.00 0.00 C ATOM 614 CD ARG A 39 -0.535 -14.651 2.488 1.00 0.00 C ATOM 615 NE ARG A 39 -0.087 -15.737 1.619 1.00 0.00 N ATOM 616 CZ ARG A 39 0.372 -16.902 2.069 1.00 0.00 C ATOM 617 NH1 ARG A 39 0.448 -17.131 3.374 1.00 0.00 N ATOM 618 NH2 ARG A 39 0.753 -17.841 1.213 1.00 0.00 N ATOM 0 H ARG A 39 -4.429 -15.286 -0.340 1.00 0.00 H new ATOM 0 HA ARG A 39 -4.124 -12.902 1.145 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -3.131 -15.027 1.819 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -2.193 -15.111 0.341 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -0.897 -13.124 1.022 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -1.867 -12.966 2.473 1.00 0.00 H new ATOM 0 HD2 ARG A 39 0.331 -14.106 2.864 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -1.049 -15.068 3.354 1.00 0.00 H new ATOM 0 HE ARG A 39 -0.129 -15.594 0.610 1.00 0.00 H new ATOM 0 HH11 ARG A 39 0.154 -16.413 4.036 1.00 0.00 H new ATOM 0 HH12 ARG A 39 0.800 -18.025 3.715 1.00 0.00 H new ATOM 0 HH21 ARG A 39 0.694 -17.670 0.209 1.00 0.00 H new ATOM 0 HH22 ARG A 39 1.105 -18.734 1.559 1.00 0.00 H new ATOM 632 N GLY A 40 -2.909 -12.866 -1.847 1.00 0.00 N ATOM 633 CA GLY A 40 -2.248 -12.030 -2.834 1.00 0.00 C ATOM 634 C GLY A 40 -2.938 -10.692 -3.021 1.00 0.00 C ATOM 635 O GLY A 40 -2.330 -9.641 -2.815 1.00 0.00 O ATOM 0 H GLY A 40 -3.373 -13.692 -2.226 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -1.215 -11.862 -2.530 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -2.218 -12.556 -3.788 1.00 0.00 H new ATOM 639 N ALA A 41 -4.211 -10.732 -3.411 1.00 0.00 N ATOM 640 CA ALA A 41 -4.995 -9.520 -3.629 1.00 0.00 C ATOM 641 C ALA A 41 -4.898 -8.567 -2.441 1.00 0.00 C ATOM 642 O ALA A 41 -5.166 -7.372 -2.570 1.00 0.00 O ATOM 643 CB ALA A 41 -6.448 -9.879 -3.899 1.00 0.00 C ATOM 0 H ALA A 41 -4.723 -11.597 -3.583 1.00 0.00 H new ATOM 0 HA ALA A 41 -4.584 -9.008 -4.499 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -7.024 -8.968 -4.060 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -6.508 -10.508 -4.787 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -6.854 -10.419 -3.044 1.00 0.00 H new ATOM 649 N ALA A 42 -4.517 -9.101 -1.284 1.00 0.00 N ATOM 650 CA ALA A 42 -4.387 -8.298 -0.074 1.00 0.00 C ATOM 651 C ALA A 42 -3.346 -7.195 -0.248 1.00 0.00 C ATOM 652 O ALA A 42 -3.637 -6.017 -0.042 1.00 0.00 O ATOM 653 CB ALA A 42 -4.029 -9.181 1.110 1.00 0.00 C ATOM 0 H ALA A 42 -4.293 -10.088 -1.160 1.00 0.00 H new ATOM 0 HA ALA A 42 -5.349 -7.823 0.117 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -3.935 -8.568 2.006 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -4.812 -9.924 1.259 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -3.083 -9.685 0.915 1.00 0.00 H new ATOM 659 N ALA A 43 -2.132 -7.585 -0.627 1.00 0.00 N ATOM 660 CA ALA A 43 -1.049 -6.627 -0.827 1.00 0.00 C ATOM 661 C ALA A 43 -1.248 -5.832 -2.110 1.00 0.00 C ATOM 662 O ALA A 43 -0.754 -4.711 -2.240 1.00 0.00 O ATOM 663 CB ALA A 43 0.289 -7.339 -0.865 1.00 0.00 C ATOM 0 H ALA A 43 -1.874 -8.556 -0.802 1.00 0.00 H new ATOM 0 HA ALA A 43 -1.060 -5.933 0.013 1.00 0.00 H new ATOM 0 HB1 ALA A 43 1.085 -6.610 -1.015 1.00 0.00 H new ATOM 0 HB2 ALA A 43 0.449 -7.863 0.077 1.00 0.00 H new ATOM 0 HB3 ALA A 43 0.296 -8.057 -1.685 1.00 0.00 H new ATOM 669 N TRP A 44 -1.971 -6.420 -3.057 1.00 0.00 N ATOM 670 CA TRP A 44 -2.228 -5.770 -4.335 1.00 0.00 C ATOM 671 C TRP A 44 -2.870 -4.398 -4.138 1.00 0.00 C ATOM 672 O TRP A 44 -2.580 -3.457 -4.876 1.00 0.00 O ATOM 673 CB TRP A 44 -3.114 -6.657 -5.211 1.00 0.00 C ATOM 674 CG TRP A 44 -2.318 -7.538 -6.122 1.00 0.00 C ATOM 675 CD1 TRP A 44 -1.653 -8.679 -5.778 1.00 0.00 C ATOM 676 CD2 TRP A 44 -2.088 -7.347 -7.524 1.00 0.00 C ATOM 677 NE1 TRP A 44 -1.019 -9.205 -6.876 1.00 0.00 N ATOM 678 CE2 TRP A 44 -1.273 -8.408 -7.960 1.00 0.00 C ATOM 679 CE3 TRP A 44 -2.492 -6.382 -8.452 1.00 0.00 C ATOM 680 CZ2 TRP A 44 -0.854 -8.532 -9.281 1.00 0.00 C ATOM 681 CZ3 TRP A 44 -2.076 -6.507 -9.765 1.00 0.00 C ATOM 682 CH2 TRP A 44 -1.264 -7.575 -10.169 1.00 0.00 C ATOM 0 H TRP A 44 -2.389 -7.346 -2.963 1.00 0.00 H new ATOM 0 HA TRP A 44 -1.273 -5.621 -4.838 1.00 0.00 H new ATOM 0 HB2 TRP A 44 -3.747 -7.275 -4.574 1.00 0.00 H new ATOM 0 HB3 TRP A 44 -3.777 -6.029 -5.806 1.00 0.00 H new ATOM 0 HD1 TRP A 44 -1.629 -9.106 -4.786 1.00 0.00 H new ATOM 0 HE1 TRP A 44 -0.451 -10.052 -6.883 1.00 0.00 H new ATOM 0 HE3 TRP A 44 -3.117 -5.555 -8.149 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 -0.228 -9.354 -9.594 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 -2.382 -5.769 -10.491 1.00 0.00 H new ATOM 0 HH2 TRP A 44 -0.956 -7.644 -11.202 1.00 0.00 H new ATOM 693 N ILE A 45 -3.743 -4.293 -3.140 1.00 0.00 N ATOM 694 CA ILE A 45 -4.423 -3.035 -2.844 1.00 0.00 C ATOM 695 C ILE A 45 -3.761 -2.314 -1.672 1.00 0.00 C ATOM 696 O ILE A 45 -3.833 -1.090 -1.557 1.00 0.00 O ATOM 697 CB ILE A 45 -5.912 -3.268 -2.515 1.00 0.00 C ATOM 698 CG1 ILE A 45 -6.585 -4.060 -3.638 1.00 0.00 C ATOM 699 CG2 ILE A 45 -6.623 -1.938 -2.298 1.00 0.00 C ATOM 700 CD1 ILE A 45 -7.997 -4.499 -3.311 1.00 0.00 C ATOM 0 H ILE A 45 -3.996 -5.064 -2.522 1.00 0.00 H new ATOM 0 HA ILE A 45 -4.347 -2.415 -3.737 1.00 0.00 H new ATOM 0 HB ILE A 45 -5.979 -3.847 -1.594 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -6.604 -3.449 -4.541 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -5.983 -4.941 -3.861 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -7.673 -2.120 -2.067 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -6.156 -1.407 -1.469 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -6.550 -1.335 -3.203 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -8.410 -5.055 -4.153 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -7.984 -5.137 -2.427 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -8.615 -3.622 -3.117 1.00 0.00 H new ATOM 712 N ILE A 46 -3.114 -3.088 -0.808 1.00 0.00 N ATOM 713 CA ILE A 46 -2.451 -2.550 0.376 1.00 0.00 C ATOM 714 C ILE A 46 -1.421 -1.472 0.027 1.00 0.00 C ATOM 715 O ILE A 46 -1.400 -0.408 0.645 1.00 0.00 O ATOM 716 CB ILE A 46 -1.789 -3.695 1.191 1.00 0.00 C ATOM 717 CG1 ILE A 46 -2.395 -3.775 2.593 1.00 0.00 C ATOM 718 CG2 ILE A 46 -0.275 -3.535 1.282 1.00 0.00 C ATOM 719 CD1 ILE A 46 -3.890 -4.014 2.598 1.00 0.00 C ATOM 0 H ILE A 46 -3.034 -4.100 -0.907 1.00 0.00 H new ATOM 0 HA ILE A 46 -3.217 -2.073 0.987 1.00 0.00 H new ATOM 0 HB ILE A 46 -1.990 -4.625 0.659 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -1.906 -4.578 3.145 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -2.183 -2.847 3.124 1.00 0.00 H new ATOM 0 HG21 ILE A 46 0.144 -4.358 1.861 1.00 0.00 H new ATOM 0 HG22 ILE A 46 0.153 -3.542 0.279 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -0.038 -2.590 1.771 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -4.248 -4.059 3.627 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -4.390 -3.199 2.075 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -4.109 -4.956 2.096 1.00 0.00 H new ATOM 731 N GLY A 47 -0.581 -1.741 -0.967 1.00 0.00 N ATOM 732 CA GLY A 47 0.442 -0.785 -1.353 1.00 0.00 C ATOM 733 C GLY A 47 -0.122 0.541 -1.832 1.00 0.00 C ATOM 734 O GLY A 47 0.571 1.559 -1.812 1.00 0.00 O ATOM 0 H GLY A 47 -0.590 -2.603 -1.512 1.00 0.00 H new ATOM 0 HA2 GLY A 47 1.100 -0.606 -0.503 1.00 0.00 H new ATOM 0 HA3 GLY A 47 1.054 -1.218 -2.144 1.00 0.00 H new ATOM 738 N ASN A 48 -1.378 0.534 -2.260 1.00 0.00 N ATOM 739 CA ASN A 48 -2.022 1.743 -2.763 1.00 0.00 C ATOM 740 C ASN A 48 -2.313 2.763 -1.658 1.00 0.00 C ATOM 741 O ASN A 48 -2.488 3.948 -1.944 1.00 0.00 O ATOM 742 CB ASN A 48 -3.316 1.387 -3.496 1.00 0.00 C ATOM 743 CG ASN A 48 -3.059 0.659 -4.801 1.00 0.00 C ATOM 744 OD1 ASN A 48 -2.980 -0.665 -4.734 1.00 0.00 O flip ATOM 745 ND2 ASN A 48 -2.932 1.278 -5.857 1.00 0.00 N flip ATOM 0 H ASN A 48 -1.972 -0.295 -2.269 1.00 0.00 H new ATOM 0 HA ASN A 48 -1.321 2.209 -3.455 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -3.936 0.764 -2.851 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -3.880 2.298 -3.696 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -3.000 2.296 -5.863 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -2.759 0.773 -6.726 1.00 0.00 H new ATOM 752 N PHE A 49 -2.369 2.319 -0.401 1.00 0.00 N ATOM 753 CA PHE A 49 -2.661 3.234 0.702 1.00 0.00 C ATOM 754 C PHE A 49 -1.391 3.816 1.326 1.00 0.00 C ATOM 755 O PHE A 49 -1.412 4.925 1.861 1.00 0.00 O ATOM 756 CB PHE A 49 -3.497 2.530 1.767 1.00 0.00 C ATOM 757 CG PHE A 49 -4.882 2.171 1.305 1.00 0.00 C ATOM 758 CD1 PHE A 49 -5.723 3.139 0.779 1.00 0.00 C ATOM 759 CD2 PHE A 49 -5.341 0.866 1.392 1.00 0.00 C ATOM 760 CE1 PHE A 49 -6.995 2.812 0.350 1.00 0.00 C ATOM 761 CE2 PHE A 49 -6.612 0.534 0.964 1.00 0.00 C ATOM 762 CZ PHE A 49 -7.439 1.508 0.443 1.00 0.00 C ATOM 0 H PHE A 49 -2.219 1.349 -0.125 1.00 0.00 H new ATOM 0 HA PHE A 49 -3.229 4.067 0.288 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -2.981 1.623 2.081 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -3.571 3.174 2.643 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -5.380 4.160 0.704 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -4.698 0.100 1.799 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -7.641 3.575 -0.058 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -6.958 -0.487 1.037 1.00 0.00 H new ATOM 0 HZ PHE A 49 -8.433 1.250 0.108 1.00 0.00 H new ATOM 772 N GLN A 50 -0.294 3.065 1.264 1.00 0.00 N ATOM 773 CA GLN A 50 0.987 3.517 1.813 1.00 0.00 C ATOM 774 C GLN A 50 0.924 3.708 3.330 1.00 0.00 C ATOM 775 O GLN A 50 1.675 4.508 3.889 1.00 0.00 O ATOM 776 CB GLN A 50 1.409 4.837 1.160 1.00 0.00 C ATOM 777 CG GLN A 50 1.305 4.835 -0.355 1.00 0.00 C ATOM 778 CD GLN A 50 0.275 5.821 -0.876 1.00 0.00 C ATOM 779 OE1 GLN A 50 0.086 6.923 -0.158 1.00 0.00 O flip ATOM 780 NE2 GLN A 50 -0.343 5.595 -1.917 1.00 0.00 N flip ATOM 0 H GLN A 50 -0.264 2.138 0.839 1.00 0.00 H new ATOM 0 HA GLN A 50 1.720 2.740 1.595 1.00 0.00 H new ATOM 0 HB2 GLN A 50 0.789 5.641 1.556 1.00 0.00 H new ATOM 0 HB3 GLN A 50 2.438 5.059 1.443 1.00 0.00 H new ATOM 0 HG2 GLN A 50 2.279 5.075 -0.782 1.00 0.00 H new ATOM 0 HG3 GLN A 50 1.046 3.832 -0.695 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -0.167 4.736 -2.438 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -1.031 6.267 -2.258 1.00 0.00 H new ATOM 789 N ASP A 51 0.042 2.970 3.995 1.00 0.00 N ATOM 790 CA ASP A 51 -0.096 3.082 5.446 1.00 0.00 C ATOM 791 C ASP A 51 0.716 2.010 6.163 1.00 0.00 C ATOM 792 O ASP A 51 1.227 1.083 5.536 1.00 0.00 O ATOM 793 CB ASP A 51 -1.564 2.971 5.853 1.00 0.00 C ATOM 794 CG ASP A 51 -1.813 3.455 7.268 1.00 0.00 C ATOM 795 OD1 ASP A 51 -1.868 4.685 7.474 1.00 0.00 O ATOM 796 OD2 ASP A 51 -1.952 2.604 8.171 1.00 0.00 O ATOM 0 H ASP A 51 -0.584 2.293 3.559 1.00 0.00 H new ATOM 0 HA ASP A 51 0.287 4.060 5.739 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -2.174 3.552 5.161 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -1.884 1.933 5.766 1.00 0.00 H new ATOM 801 N GLU A 52 0.826 2.147 7.482 1.00 0.00 N ATOM 802 CA GLU A 52 1.567 1.194 8.302 1.00 0.00 C ATOM 803 C GLU A 52 1.069 -0.230 8.072 1.00 0.00 C ATOM 804 O GLU A 52 1.855 -1.137 7.794 1.00 0.00 O ATOM 805 CB GLU A 52 1.433 1.569 9.781 1.00 0.00 C ATOM 806 CG GLU A 52 1.772 0.437 10.735 1.00 0.00 C ATOM 807 CD GLU A 52 1.576 0.820 12.189 1.00 0.00 C ATOM 808 OE1 GLU A 52 2.537 1.328 12.805 1.00 0.00 O ATOM 809 OE2 GLU A 52 0.460 0.613 12.713 1.00 0.00 O ATOM 0 H GLU A 52 0.408 2.914 8.008 1.00 0.00 H new ATOM 0 HA GLU A 52 2.617 1.234 8.014 1.00 0.00 H new ATOM 0 HB2 GLU A 52 2.085 2.416 9.992 1.00 0.00 H new ATOM 0 HB3 GLU A 52 0.411 1.898 9.971 1.00 0.00 H new ATOM 0 HG2 GLU A 52 1.149 -0.427 10.504 1.00 0.00 H new ATOM 0 HG3 GLU A 52 2.807 0.134 10.580 1.00 0.00 H new ATOM 816 N ARG A 53 -0.242 -0.418 8.193 1.00 0.00 N ATOM 817 CA ARG A 53 -0.856 -1.727 7.993 1.00 0.00 C ATOM 818 C ARG A 53 -0.629 -2.232 6.572 1.00 0.00 C ATOM 819 O ARG A 53 -0.959 -3.371 6.255 1.00 0.00 O ATOM 820 CB ARG A 53 -2.355 -1.671 8.297 1.00 0.00 C ATOM 821 CG ARG A 53 -3.054 -0.472 7.688 1.00 0.00 C ATOM 822 CD ARG A 53 -4.467 -0.317 8.222 1.00 0.00 C ATOM 823 NE ARG A 53 -4.913 1.072 8.171 1.00 0.00 N ATOM 824 CZ ARG A 53 -5.688 1.632 9.092 1.00 0.00 C ATOM 825 NH1 ARG A 53 -6.134 0.915 10.117 1.00 0.00 N ATOM 826 NH2 ARG A 53 -6.022 2.911 8.988 1.00 0.00 N ATOM 0 H ARG A 53 -0.902 0.323 8.430 1.00 0.00 H new ATOM 0 HA ARG A 53 -0.381 -2.424 8.683 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -2.826 -2.582 7.928 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -2.498 -1.654 9.378 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -2.482 0.431 7.903 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -3.084 -0.580 6.604 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -5.147 -0.939 7.640 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -4.509 -0.675 9.251 1.00 0.00 H new ATOM 0 HE ARG A 53 -4.612 1.645 7.383 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -5.881 -0.070 10.199 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -6.729 1.349 10.822 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -5.684 3.464 8.201 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -6.617 3.342 9.695 1.00 0.00 H new ATOM 840 N ALA A 54 -0.089 -1.367 5.715 1.00 0.00 N ATOM 841 CA ALA A 54 0.173 -1.723 4.326 1.00 0.00 C ATOM 842 C ALA A 54 1.660 -1.958 4.092 1.00 0.00 C ATOM 843 O ALA A 54 2.052 -2.620 3.132 1.00 0.00 O ATOM 844 CB ALA A 54 -0.337 -0.632 3.399 1.00 0.00 C ATOM 0 H ALA A 54 0.175 -0.413 5.961 1.00 0.00 H new ATOM 0 HA ALA A 54 -0.356 -2.651 4.109 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -0.135 -0.910 2.364 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -1.411 -0.508 3.539 1.00 0.00 H new ATOM 0 HB3 ALA A 54 0.169 0.306 3.628 1.00 0.00 H new ATOM 850 N VAL A 55 2.481 -1.408 4.979 1.00 0.00 N ATOM 851 CA VAL A 55 3.927 -1.545 4.874 1.00 0.00 C ATOM 852 C VAL A 55 4.390 -2.951 5.252 1.00 0.00 C ATOM 853 O VAL A 55 5.089 -3.610 4.480 1.00 0.00 O ATOM 854 CB VAL A 55 4.648 -0.518 5.771 1.00 0.00 C ATOM 855 CG1 VAL A 55 6.143 -0.773 5.779 1.00 0.00 C ATOM 856 CG2 VAL A 55 4.352 0.900 5.310 1.00 0.00 C ATOM 0 H VAL A 55 2.168 -0.861 5.781 1.00 0.00 H new ATOM 0 HA VAL A 55 4.184 -1.359 3.831 1.00 0.00 H new ATOM 0 HB VAL A 55 4.274 -0.632 6.788 1.00 0.00 H new ATOM 0 HG11 VAL A 55 6.634 -0.038 6.417 1.00 0.00 H new ATOM 0 HG12 VAL A 55 6.339 -1.775 6.161 1.00 0.00 H new ATOM 0 HG13 VAL A 55 6.532 -0.689 4.764 1.00 0.00 H new ATOM 0 HG21 VAL A 55 4.870 1.608 5.956 1.00 0.00 H new ATOM 0 HG22 VAL A 55 4.695 1.028 4.283 1.00 0.00 H new ATOM 0 HG23 VAL A 55 3.278 1.082 5.359 1.00 0.00 H new ATOM 866 N GLU A 56 4.002 -3.404 6.442 1.00 0.00 N ATOM 867 CA GLU A 56 4.389 -4.730 6.922 1.00 0.00 C ATOM 868 C GLU A 56 4.013 -5.832 5.923 1.00 0.00 C ATOM 869 O GLU A 56 4.838 -6.696 5.627 1.00 0.00 O ATOM 870 CB GLU A 56 3.754 -5.020 8.283 1.00 0.00 C ATOM 871 CG GLU A 56 4.263 -6.302 8.924 1.00 0.00 C ATOM 872 CD GLU A 56 3.379 -6.774 10.061 1.00 0.00 C ATOM 873 OE1 GLU A 56 2.340 -7.411 9.783 1.00 0.00 O ATOM 874 OE2 GLU A 56 3.724 -6.508 11.232 1.00 0.00 O ATOM 0 H GLU A 56 3.421 -2.874 7.091 1.00 0.00 H new ATOM 0 HA GLU A 56 5.474 -4.729 7.027 1.00 0.00 H new ATOM 0 HB2 GLU A 56 3.951 -4.184 8.954 1.00 0.00 H new ATOM 0 HB3 GLU A 56 2.672 -5.086 8.165 1.00 0.00 H new ATOM 0 HG2 GLU A 56 4.324 -7.084 8.167 1.00 0.00 H new ATOM 0 HG3 GLU A 56 5.274 -6.141 9.297 1.00 0.00 H new ATOM 881 N PRO A 57 2.765 -5.832 5.401 1.00 0.00 N ATOM 882 CA PRO A 57 2.316 -6.838 4.434 1.00 0.00 C ATOM 883 C PRO A 57 3.367 -7.146 3.384 1.00 0.00 C ATOM 884 O PRO A 57 3.646 -8.309 3.096 1.00 0.00 O ATOM 885 CB PRO A 57 1.106 -6.175 3.783 1.00 0.00 C ATOM 886 CG PRO A 57 0.537 -5.305 4.846 1.00 0.00 C ATOM 887 CD PRO A 57 1.691 -4.866 5.712 1.00 0.00 C ATOM 0 HA PRO A 57 2.102 -7.794 4.912 1.00 0.00 H new ATOM 0 HB2 PRO A 57 1.396 -5.593 2.908 1.00 0.00 H new ATOM 0 HB3 PRO A 57 0.381 -6.916 3.447 1.00 0.00 H new ATOM 0 HG2 PRO A 57 0.030 -4.444 4.411 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -0.204 -5.847 5.434 1.00 0.00 H new ATOM 0 HD2 PRO A 57 1.995 -3.845 5.483 1.00 0.00 H new ATOM 0 HD3 PRO A 57 1.427 -4.890 6.769 1.00 0.00 H new ATOM 895 N LEU A 58 3.956 -6.100 2.819 1.00 0.00 N ATOM 896 CA LEU A 58 4.972 -6.268 1.794 1.00 0.00 C ATOM 897 C LEU A 58 6.195 -6.985 2.352 1.00 0.00 C ATOM 898 O LEU A 58 6.751 -7.868 1.708 1.00 0.00 O ATOM 899 CB LEU A 58 5.389 -4.913 1.209 1.00 0.00 C ATOM 900 CG LEU A 58 4.259 -3.899 0.983 1.00 0.00 C ATOM 901 CD1 LEU A 58 4.757 -2.738 0.138 1.00 0.00 C ATOM 902 CD2 LEU A 58 3.047 -4.553 0.331 1.00 0.00 C ATOM 0 H LEU A 58 3.747 -5.130 3.054 1.00 0.00 H new ATOM 0 HA LEU A 58 4.540 -6.876 0.999 1.00 0.00 H new ATOM 0 HB2 LEU A 58 6.125 -4.463 1.875 1.00 0.00 H new ATOM 0 HB3 LEU A 58 5.887 -5.089 0.256 1.00 0.00 H new ATOM 0 HG LEU A 58 3.947 -3.520 1.956 1.00 0.00 H new ATOM 0 HD11 LEU A 58 3.946 -2.026 -0.015 1.00 0.00 H new ATOM 0 HD12 LEU A 58 5.583 -2.244 0.650 1.00 0.00 H new ATOM 0 HD13 LEU A 58 5.100 -3.111 -0.827 1.00 0.00 H new ATOM 0 HD21 LEU A 58 2.266 -3.807 0.185 1.00 0.00 H new ATOM 0 HD22 LEU A 58 3.334 -4.971 -0.634 1.00 0.00 H new ATOM 0 HD23 LEU A 58 2.673 -5.349 0.975 1.00 0.00 H new ATOM 914 N ILE A 59 6.603 -6.608 3.558 1.00 0.00 N ATOM 915 CA ILE A 59 7.770 -7.209 4.194 1.00 0.00 C ATOM 916 C ILE A 59 7.695 -8.738 4.199 1.00 0.00 C ATOM 917 O ILE A 59 8.609 -9.412 3.723 1.00 0.00 O ATOM 918 CB ILE A 59 7.948 -6.701 5.641 1.00 0.00 C ATOM 919 CG1 ILE A 59 8.141 -5.179 5.654 1.00 0.00 C ATOM 920 CG2 ILE A 59 9.126 -7.398 6.311 1.00 0.00 C ATOM 921 CD1 ILE A 59 9.432 -4.717 5.010 1.00 0.00 C ATOM 0 H ILE A 59 6.143 -5.889 4.116 1.00 0.00 H new ATOM 0 HA ILE A 59 8.633 -6.906 3.601 1.00 0.00 H new ATOM 0 HB ILE A 59 7.045 -6.938 6.204 1.00 0.00 H new ATOM 0 HG12 ILE A 59 7.302 -4.712 5.138 1.00 0.00 H new ATOM 0 HG13 ILE A 59 8.116 -4.828 6.686 1.00 0.00 H new ATOM 0 HG21 ILE A 59 9.236 -7.027 7.330 1.00 0.00 H new ATOM 0 HG22 ILE A 59 8.948 -8.473 6.333 1.00 0.00 H new ATOM 0 HG23 ILE A 59 10.037 -7.193 5.750 1.00 0.00 H new ATOM 0 HD11 ILE A 59 9.494 -3.630 5.059 1.00 0.00 H new ATOM 0 HD12 ILE A 59 10.279 -5.153 5.539 1.00 0.00 H new ATOM 0 HD13 ILE A 59 9.453 -5.035 3.968 1.00 0.00 H new ATOM 933 N LYS A 60 6.608 -9.276 4.738 1.00 0.00 N ATOM 934 CA LYS A 60 6.423 -10.725 4.818 1.00 0.00 C ATOM 935 C LYS A 60 6.182 -11.353 3.444 1.00 0.00 C ATOM 936 O LYS A 60 6.804 -12.355 3.089 1.00 0.00 O ATOM 937 CB LYS A 60 5.242 -11.049 5.738 1.00 0.00 C ATOM 938 CG LYS A 60 5.269 -10.298 7.059 1.00 0.00 C ATOM 939 CD LYS A 60 6.475 -10.684 7.899 1.00 0.00 C ATOM 940 CE LYS A 60 6.587 -9.822 9.145 1.00 0.00 C ATOM 941 NZ LYS A 60 5.379 -9.934 10.009 1.00 0.00 N ATOM 0 H LYS A 60 5.838 -8.732 5.128 1.00 0.00 H new ATOM 0 HA LYS A 60 7.343 -11.148 5.222 1.00 0.00 H new ATOM 0 HB2 LYS A 60 4.313 -10.816 5.217 1.00 0.00 H new ATOM 0 HB3 LYS A 60 5.234 -12.120 5.940 1.00 0.00 H new ATOM 0 HG2 LYS A 60 5.287 -9.225 6.868 1.00 0.00 H new ATOM 0 HG3 LYS A 60 4.355 -10.507 7.616 1.00 0.00 H new ATOM 0 HD2 LYS A 60 6.398 -11.733 8.187 1.00 0.00 H new ATOM 0 HD3 LYS A 60 7.382 -10.583 7.303 1.00 0.00 H new ATOM 0 HE2 LYS A 60 7.468 -10.119 9.713 1.00 0.00 H new ATOM 0 HE3 LYS A 60 6.730 -8.781 8.855 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 5.549 -9.441 10.909 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 4.565 -9.502 9.526 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 5.178 -10.937 10.196 1.00 0.00 H new ATOM 955 N LEU A 61 5.277 -10.753 2.682 1.00 0.00 N ATOM 956 CA LEU A 61 4.902 -11.254 1.359 1.00 0.00 C ATOM 957 C LEU A 61 6.062 -11.314 0.375 1.00 0.00 C ATOM 958 O LEU A 61 6.167 -12.268 -0.393 1.00 0.00 O ATOM 959 CB LEU A 61 3.786 -10.388 0.786 1.00 0.00 C ATOM 960 CG LEU A 61 2.450 -11.100 0.617 1.00 0.00 C ATOM 961 CD1 LEU A 61 2.004 -11.741 1.925 1.00 0.00 C ATOM 962 CD2 LEU A 61 1.392 -10.138 0.116 1.00 0.00 C ATOM 0 H LEU A 61 4.781 -9.906 2.960 1.00 0.00 H new ATOM 0 HA LEU A 61 4.565 -12.281 1.498 1.00 0.00 H new ATOM 0 HB2 LEU A 61 3.643 -9.526 1.438 1.00 0.00 H new ATOM 0 HB3 LEU A 61 4.103 -10.005 -0.184 1.00 0.00 H new ATOM 0 HG LEU A 61 2.582 -11.889 -0.123 1.00 0.00 H new ATOM 0 HD11 LEU A 61 1.048 -12.243 1.777 1.00 0.00 H new ATOM 0 HD12 LEU A 61 2.749 -12.468 2.246 1.00 0.00 H new ATOM 0 HD13 LEU A 61 1.895 -10.971 2.689 1.00 0.00 H new ATOM 0 HD21 LEU A 61 0.445 -10.666 0.002 1.00 0.00 H new ATOM 0 HD22 LEU A 61 1.270 -9.326 0.832 1.00 0.00 H new ATOM 0 HD23 LEU A 61 1.698 -9.730 -0.847 1.00 0.00 H new ATOM 974 N LEU A 62 6.922 -10.306 0.382 1.00 0.00 N ATOM 975 CA LEU A 62 8.054 -10.281 -0.534 1.00 0.00 C ATOM 976 C LEU A 62 8.896 -11.531 -0.353 1.00 0.00 C ATOM 977 O LEU A 62 9.723 -11.871 -1.196 1.00 0.00 O ATOM 978 CB LEU A 62 8.882 -9.020 -0.320 1.00 0.00 C ATOM 979 CG LEU A 62 8.187 -7.738 -0.773 1.00 0.00 C ATOM 980 CD1 LEU A 62 8.818 -6.522 -0.114 1.00 0.00 C ATOM 981 CD2 LEU A 62 8.242 -7.614 -2.287 1.00 0.00 C ATOM 0 H LEU A 62 6.859 -9.501 1.006 1.00 0.00 H new ATOM 0 HA LEU A 62 7.684 -10.266 -1.559 1.00 0.00 H new ATOM 0 HB2 LEU A 62 9.127 -8.934 0.739 1.00 0.00 H new ATOM 0 HB3 LEU A 62 9.824 -9.120 -0.859 1.00 0.00 H new ATOM 0 HG LEU A 62 7.142 -7.786 -0.467 1.00 0.00 H new ATOM 0 HD11 LEU A 62 8.308 -5.620 -0.451 1.00 0.00 H new ATOM 0 HD12 LEU A 62 8.728 -6.607 0.969 1.00 0.00 H new ATOM 0 HD13 LEU A 62 9.872 -6.466 -0.387 1.00 0.00 H new ATOM 0 HD21 LEU A 62 7.743 -6.695 -2.595 1.00 0.00 H new ATOM 0 HD22 LEU A 62 9.282 -7.588 -2.612 1.00 0.00 H new ATOM 0 HD23 LEU A 62 7.741 -8.469 -2.741 1.00 0.00 H new ATOM 993 N GLU A 63 8.665 -12.209 0.761 1.00 0.00 N ATOM 994 CA GLU A 63 9.356 -13.444 1.068 1.00 0.00 C ATOM 995 C GLU A 63 8.455 -14.625 0.722 1.00 0.00 C ATOM 996 O GLU A 63 8.932 -15.699 0.358 1.00 0.00 O ATOM 997 CB GLU A 63 9.744 -13.475 2.544 1.00 0.00 C ATOM 998 CG GLU A 63 11.022 -12.712 2.851 1.00 0.00 C ATOM 999 CD GLU A 63 11.441 -12.837 4.303 1.00 0.00 C ATOM 1000 OE1 GLU A 63 12.119 -13.830 4.641 1.00 0.00 O ATOM 1001 OE2 GLU A 63 11.093 -11.942 5.101 1.00 0.00 O ATOM 0 H GLU A 63 7.995 -11.917 1.473 1.00 0.00 H new ATOM 0 HA GLU A 63 10.269 -13.509 0.476 1.00 0.00 H new ATOM 0 HB2 GLU A 63 8.929 -13.056 3.135 1.00 0.00 H new ATOM 0 HB3 GLU A 63 9.865 -14.512 2.858 1.00 0.00 H new ATOM 0 HG2 GLU A 63 11.824 -13.082 2.212 1.00 0.00 H new ATOM 0 HG3 GLU A 63 10.880 -11.659 2.607 1.00 0.00 H new ATOM 1008 N ASP A 64 7.143 -14.410 0.850 1.00 0.00 N ATOM 1009 CA ASP A 64 6.157 -15.438 0.534 1.00 0.00 C ATOM 1010 C ASP A 64 6.244 -15.814 -0.939 1.00 0.00 C ATOM 1011 O ASP A 64 5.546 -15.247 -1.778 1.00 0.00 O ATOM 1012 CB ASP A 64 4.746 -14.961 0.881 1.00 0.00 C ATOM 1013 CG ASP A 64 4.490 -14.957 2.376 1.00 0.00 C ATOM 1014 OD1 ASP A 64 4.325 -16.052 2.952 1.00 0.00 O ATOM 1015 OD2 ASP A 64 4.453 -13.859 2.970 1.00 0.00 O ATOM 0 H ASP A 64 6.741 -13.529 1.172 1.00 0.00 H new ATOM 0 HA ASP A 64 6.375 -16.321 1.135 1.00 0.00 H new ATOM 0 HB2 ASP A 64 4.598 -13.956 0.487 1.00 0.00 H new ATOM 0 HB3 ASP A 64 4.016 -15.606 0.392 1.00 0.00 H new ATOM 1020 N ASP A 65 7.109 -16.771 -1.236 1.00 0.00 N ATOM 1021 CA ASP A 65 7.333 -17.232 -2.607 1.00 0.00 C ATOM 1022 C ASP A 65 6.177 -18.089 -3.126 1.00 0.00 C ATOM 1023 O ASP A 65 6.398 -19.101 -3.791 1.00 0.00 O ATOM 1024 CB ASP A 65 8.633 -18.031 -2.675 1.00 0.00 C ATOM 1025 CG ASP A 65 9.806 -17.292 -2.061 1.00 0.00 C ATOM 1026 OD1 ASP A 65 10.312 -16.344 -2.697 1.00 0.00 O ATOM 1027 OD2 ASP A 65 10.220 -17.662 -0.942 1.00 0.00 O ATOM 0 H ASP A 65 7.677 -17.252 -0.539 1.00 0.00 H new ATOM 0 HA ASP A 65 7.399 -16.349 -3.242 1.00 0.00 H new ATOM 0 HB2 ASP A 65 8.498 -18.982 -2.160 1.00 0.00 H new ATOM 0 HB3 ASP A 65 8.859 -18.262 -3.716 1.00 0.00 H new ATOM 1032 N SER A 66 4.951 -17.675 -2.835 1.00 0.00 N ATOM 1033 CA SER A 66 3.769 -18.407 -3.280 1.00 0.00 C ATOM 1034 C SER A 66 3.360 -17.987 -4.692 1.00 0.00 C ATOM 1035 O SER A 66 2.813 -18.785 -5.453 1.00 0.00 O ATOM 1036 CB SER A 66 2.608 -18.174 -2.312 1.00 0.00 C ATOM 1037 OG SER A 66 1.502 -18.997 -2.638 1.00 0.00 O ATOM 0 H SER A 66 4.747 -16.836 -2.292 1.00 0.00 H new ATOM 0 HA SER A 66 4.017 -19.468 -3.296 1.00 0.00 H new ATOM 0 HB2 SER A 66 2.933 -18.382 -1.292 1.00 0.00 H new ATOM 0 HB3 SER A 66 2.308 -17.127 -2.344 1.00 0.00 H new ATOM 0 HG SER A 66 1.195 -19.466 -1.834 1.00 0.00 H new ATOM 1043 N GLY A 67 3.628 -16.729 -5.032 1.00 0.00 N ATOM 1044 CA GLY A 67 3.278 -16.215 -6.348 1.00 0.00 C ATOM 1045 C GLY A 67 2.450 -14.949 -6.261 1.00 0.00 C ATOM 1046 O GLY A 67 2.979 -13.888 -5.942 1.00 0.00 O ATOM 0 H GLY A 67 4.083 -16.053 -4.418 1.00 0.00 H new ATOM 0 HA2 GLY A 67 4.188 -16.015 -6.913 1.00 0.00 H new ATOM 0 HA3 GLY A 67 2.722 -16.975 -6.898 1.00 0.00 H new ATOM 1050 N PHE A 68 1.150 -15.053 -6.555 1.00 0.00 N ATOM 1051 CA PHE A 68 0.254 -13.898 -6.474 1.00 0.00 C ATOM 1052 C PHE A 68 0.499 -13.174 -5.160 1.00 0.00 C ATOM 1053 O PHE A 68 0.330 -11.960 -5.050 1.00 0.00 O ATOM 1054 CB PHE A 68 -1.207 -14.356 -6.539 1.00 0.00 C ATOM 1055 CG PHE A 68 -2.136 -13.415 -7.261 1.00 0.00 C ATOM 1056 CD1 PHE A 68 -2.271 -12.084 -6.873 1.00 0.00 C ATOM 1057 CD2 PHE A 68 -2.889 -13.874 -8.330 1.00 0.00 C ATOM 1058 CE1 PHE A 68 -3.141 -11.242 -7.544 1.00 0.00 C ATOM 1059 CE2 PHE A 68 -3.760 -13.034 -8.999 1.00 0.00 C ATOM 1060 CZ PHE A 68 -3.885 -11.718 -8.605 1.00 0.00 C ATOM 0 H PHE A 68 0.698 -15.919 -6.849 1.00 0.00 H new ATOM 0 HA PHE A 68 0.451 -13.230 -7.312 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -1.246 -15.329 -7.029 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -1.574 -14.496 -5.522 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -1.693 -11.706 -6.043 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -2.794 -14.903 -8.645 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -3.238 -10.211 -7.237 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -4.342 -13.408 -9.829 1.00 0.00 H new ATOM 0 HZ PHE A 68 -4.565 -11.060 -9.126 1.00 0.00 H new ATOM 1070 N VAL A 69 0.909 -13.956 -4.170 1.00 0.00 N ATOM 1071 CA VAL A 69 1.205 -13.451 -2.842 1.00 0.00 C ATOM 1072 C VAL A 69 2.451 -12.564 -2.859 1.00 0.00 C ATOM 1073 O VAL A 69 2.408 -11.413 -2.427 1.00 0.00 O ATOM 1074 CB VAL A 69 1.406 -14.626 -1.862 1.00 0.00 C ATOM 1075 CG1 VAL A 69 1.640 -14.129 -0.448 1.00 0.00 C ATOM 1076 CG2 VAL A 69 0.209 -15.563 -1.909 1.00 0.00 C ATOM 0 H VAL A 69 1.045 -14.962 -4.269 1.00 0.00 H new ATOM 0 HA VAL A 69 0.360 -12.847 -2.510 1.00 0.00 H new ATOM 0 HB VAL A 69 2.294 -15.177 -2.172 1.00 0.00 H new ATOM 0 HG11 VAL A 69 1.778 -14.980 0.219 1.00 0.00 H new ATOM 0 HG12 VAL A 69 2.531 -13.502 -0.426 1.00 0.00 H new ATOM 0 HG13 VAL A 69 0.779 -13.547 -0.120 1.00 0.00 H new ATOM 0 HG21 VAL A 69 0.365 -16.387 -1.213 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -0.692 -15.017 -1.629 1.00 0.00 H new ATOM 0 HG23 VAL A 69 0.095 -15.958 -2.919 1.00 0.00 H new ATOM 1086 N ARG A 70 3.561 -13.104 -3.367 1.00 0.00 N ATOM 1087 CA ARG A 70 4.812 -12.350 -3.441 1.00 0.00 C ATOM 1088 C ARG A 70 4.700 -11.186 -4.425 1.00 0.00 C ATOM 1089 O ARG A 70 4.968 -10.037 -4.073 1.00 0.00 O ATOM 1090 CB ARG A 70 5.964 -13.263 -3.864 1.00 0.00 C ATOM 1091 CG ARG A 70 7.216 -13.100 -3.017 1.00 0.00 C ATOM 1092 CD ARG A 70 8.469 -13.468 -3.795 1.00 0.00 C ATOM 1093 NE ARG A 70 8.324 -14.739 -4.501 1.00 0.00 N ATOM 1094 CZ ARG A 70 9.311 -15.330 -5.166 1.00 0.00 C ATOM 1095 NH1 ARG A 70 10.517 -14.776 -5.200 1.00 0.00 N ATOM 1096 NH2 ARG A 70 9.097 -16.479 -5.793 1.00 0.00 N ATOM 0 H ARG A 70 3.618 -14.055 -3.731 1.00 0.00 H new ATOM 0 HA ARG A 70 5.012 -11.949 -2.447 1.00 0.00 H new ATOM 0 HB2 ARG A 70 5.632 -14.300 -3.811 1.00 0.00 H new ATOM 0 HB3 ARG A 70 6.212 -13.061 -4.906 1.00 0.00 H new ATOM 0 HG2 ARG A 70 7.291 -12.069 -2.672 1.00 0.00 H new ATOM 0 HG3 ARG A 70 7.140 -13.728 -2.130 1.00 0.00 H new ATOM 0 HD2 ARG A 70 8.695 -12.679 -4.512 1.00 0.00 H new ATOM 0 HD3 ARG A 70 9.315 -13.528 -3.111 1.00 0.00 H new ATOM 0 HE ARG A 70 7.414 -15.199 -4.482 1.00 0.00 H new ATOM 0 HH11 ARG A 70 10.687 -13.895 -4.715 1.00 0.00 H new ATOM 0 HH12 ARG A 70 11.273 -15.231 -5.711 1.00 0.00 H new ATOM 0 HH21 ARG A 70 8.173 -16.911 -5.765 1.00 0.00 H new ATOM 0 HH22 ARG A 70 9.856 -16.931 -6.303 1.00 0.00 H new ATOM 1110 N SER A 71 4.310 -11.498 -5.660 1.00 0.00 N ATOM 1111 CA SER A 71 4.167 -10.489 -6.708 1.00 0.00 C ATOM 1112 C SER A 71 3.316 -9.314 -6.241 1.00 0.00 C ATOM 1113 O SER A 71 3.520 -8.179 -6.673 1.00 0.00 O ATOM 1114 CB SER A 71 3.542 -11.112 -7.957 1.00 0.00 C ATOM 1115 OG SER A 71 4.353 -12.155 -8.470 1.00 0.00 O ATOM 0 H SER A 71 4.086 -12.447 -5.960 1.00 0.00 H new ATOM 0 HA SER A 71 5.163 -10.115 -6.945 1.00 0.00 H new ATOM 0 HB2 SER A 71 2.553 -11.502 -7.716 1.00 0.00 H new ATOM 0 HB3 SER A 71 3.405 -10.345 -8.720 1.00 0.00 H new ATOM 0 HG SER A 71 3.929 -12.537 -9.267 1.00 0.00 H new ATOM 1121 N GLY A 72 2.362 -9.590 -5.360 1.00 0.00 N ATOM 1122 CA GLY A 72 1.500 -8.541 -4.853 1.00 0.00 C ATOM 1123 C GLY A 72 2.269 -7.471 -4.109 1.00 0.00 C ATOM 1124 O GLY A 72 2.054 -6.277 -4.325 1.00 0.00 O ATOM 0 H GLY A 72 2.171 -10.520 -4.988 1.00 0.00 H new ATOM 0 HA2 GLY A 72 0.960 -8.086 -5.683 1.00 0.00 H new ATOM 0 HA3 GLY A 72 0.754 -8.977 -4.188 1.00 0.00 H new ATOM 1128 N ALA A 73 3.169 -7.901 -3.235 1.00 0.00 N ATOM 1129 CA ALA A 73 3.978 -6.982 -2.447 1.00 0.00 C ATOM 1130 C ALA A 73 5.003 -6.252 -3.307 1.00 0.00 C ATOM 1131 O ALA A 73 5.334 -5.098 -3.041 1.00 0.00 O ATOM 1132 CB ALA A 73 4.677 -7.735 -1.330 1.00 0.00 C ATOM 0 H ALA A 73 3.358 -8.887 -3.053 1.00 0.00 H new ATOM 0 HA ALA A 73 3.311 -6.233 -2.020 1.00 0.00 H new ATOM 0 HB1 ALA A 73 5.280 -7.041 -0.745 1.00 0.00 H new ATOM 0 HB2 ALA A 73 3.933 -8.202 -0.685 1.00 0.00 H new ATOM 0 HB3 ALA A 73 5.321 -8.504 -1.757 1.00 0.00 H new ATOM 1138 N ALA A 74 5.503 -6.925 -4.339 1.00 0.00 N ATOM 1139 CA ALA A 74 6.504 -6.337 -5.223 1.00 0.00 C ATOM 1140 C ALA A 74 6.026 -5.013 -5.813 1.00 0.00 C ATOM 1141 O ALA A 74 6.633 -3.965 -5.586 1.00 0.00 O ATOM 1142 CB ALA A 74 6.860 -7.311 -6.336 1.00 0.00 C ATOM 0 H ALA A 74 5.232 -7.877 -4.584 1.00 0.00 H new ATOM 0 HA ALA A 74 7.394 -6.133 -4.627 1.00 0.00 H new ATOM 0 HB1 ALA A 74 7.608 -6.860 -6.989 1.00 0.00 H new ATOM 0 HB2 ALA A 74 7.261 -8.227 -5.903 1.00 0.00 H new ATOM 0 HB3 ALA A 74 5.966 -7.544 -6.915 1.00 0.00 H new ATOM 1148 N ARG A 75 4.935 -5.068 -6.570 1.00 0.00 N ATOM 1149 CA ARG A 75 4.377 -3.878 -7.206 1.00 0.00 C ATOM 1150 C ARG A 75 3.965 -2.828 -6.178 1.00 0.00 C ATOM 1151 O ARG A 75 3.837 -1.648 -6.505 1.00 0.00 O ATOM 1152 CB ARG A 75 3.170 -4.258 -8.065 1.00 0.00 C ATOM 1153 CG ARG A 75 2.144 -5.108 -7.331 1.00 0.00 C ATOM 1154 CD ARG A 75 0.936 -5.403 -8.207 1.00 0.00 C ATOM 1155 NE ARG A 75 1.323 -5.758 -9.570 1.00 0.00 N ATOM 1156 CZ ARG A 75 0.935 -5.082 -10.647 1.00 0.00 C ATOM 1157 NH1 ARG A 75 0.154 -4.016 -10.521 1.00 0.00 N ATOM 1158 NH2 ARG A 75 1.329 -5.469 -11.852 1.00 0.00 N ATOM 0 H ARG A 75 4.418 -5.927 -6.759 1.00 0.00 H new ATOM 0 HA ARG A 75 5.155 -3.446 -7.835 1.00 0.00 H new ATOM 0 HB2 ARG A 75 2.687 -3.348 -8.422 1.00 0.00 H new ATOM 0 HB3 ARG A 75 3.517 -4.801 -8.944 1.00 0.00 H new ATOM 0 HG2 ARG A 75 2.604 -6.045 -7.016 1.00 0.00 H new ATOM 0 HG3 ARG A 75 1.822 -4.592 -6.427 1.00 0.00 H new ATOM 0 HD2 ARG A 75 0.361 -6.219 -7.769 1.00 0.00 H new ATOM 0 HD3 ARG A 75 0.284 -4.530 -8.231 1.00 0.00 H new ATOM 0 HE ARG A 75 1.925 -6.571 -9.703 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -0.150 -3.713 -9.596 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -0.142 -3.500 -11.349 1.00 0.00 H new ATOM 0 HH21 ARG A 75 1.931 -6.286 -11.954 1.00 0.00 H new ATOM 0 HH22 ARG A 75 1.031 -4.949 -12.677 1.00 0.00 H new ATOM 1172 N SER A 76 3.763 -3.257 -4.939 1.00 0.00 N ATOM 1173 CA SER A 76 3.351 -2.348 -3.875 1.00 0.00 C ATOM 1174 C SER A 76 4.448 -1.341 -3.533 1.00 0.00 C ATOM 1175 O SER A 76 4.158 -0.188 -3.222 1.00 0.00 O ATOM 1176 CB SER A 76 2.953 -3.138 -2.631 1.00 0.00 C ATOM 1177 OG SER A 76 1.892 -4.034 -2.915 1.00 0.00 O ATOM 0 H SER A 76 3.877 -4.227 -4.645 1.00 0.00 H new ATOM 0 HA SER A 76 2.489 -1.787 -4.236 1.00 0.00 H new ATOM 0 HB2 SER A 76 3.813 -3.694 -2.259 1.00 0.00 H new ATOM 0 HB3 SER A 76 2.651 -2.451 -1.841 1.00 0.00 H new ATOM 0 HG SER A 76 2.229 -4.779 -3.455 1.00 0.00 H new ATOM 1183 N LEU A 77 5.707 -1.777 -3.590 1.00 0.00 N ATOM 1184 CA LEU A 77 6.834 -0.897 -3.288 1.00 0.00 C ATOM 1185 C LEU A 77 6.801 0.367 -4.147 1.00 0.00 C ATOM 1186 O LEU A 77 6.713 1.480 -3.626 1.00 0.00 O ATOM 1187 CB LEU A 77 8.149 -1.641 -3.537 1.00 0.00 C ATOM 1188 CG LEU A 77 8.639 -2.531 -2.392 1.00 0.00 C ATOM 1189 CD1 LEU A 77 9.080 -1.686 -1.210 1.00 0.00 C ATOM 1190 CD2 LEU A 77 7.564 -3.518 -1.969 1.00 0.00 C ATOM 0 H LEU A 77 5.970 -2.730 -3.841 1.00 0.00 H new ATOM 0 HA LEU A 77 6.760 -0.603 -2.241 1.00 0.00 H new ATOM 0 HB2 LEU A 77 8.032 -2.259 -4.427 1.00 0.00 H new ATOM 0 HB3 LEU A 77 8.924 -0.907 -3.758 1.00 0.00 H new ATOM 0 HG LEU A 77 9.497 -3.099 -2.751 1.00 0.00 H new ATOM 0 HD11 LEU A 77 9.425 -2.336 -0.406 1.00 0.00 H new ATOM 0 HD12 LEU A 77 9.892 -1.027 -1.517 1.00 0.00 H new ATOM 0 HD13 LEU A 77 8.240 -1.087 -0.857 1.00 0.00 H new ATOM 0 HD21 LEU A 77 7.939 -4.137 -1.154 1.00 0.00 H new ATOM 0 HD22 LEU A 77 6.681 -2.973 -1.634 1.00 0.00 H new ATOM 0 HD23 LEU A 77 7.299 -4.152 -2.815 1.00 0.00 H new ATOM 1202 N GLU A 78 6.876 0.187 -5.462 1.00 0.00 N ATOM 1203 CA GLU A 78 6.846 1.308 -6.401 1.00 0.00 C ATOM 1204 C GLU A 78 5.595 2.168 -6.222 1.00 0.00 C ATOM 1205 O GLU A 78 5.663 3.396 -6.274 1.00 0.00 O ATOM 1206 CB GLU A 78 6.900 0.792 -7.842 1.00 0.00 C ATOM 1207 CG GLU A 78 8.120 -0.061 -8.145 1.00 0.00 C ATOM 1208 CD GLU A 78 8.095 -0.636 -9.548 1.00 0.00 C ATOM 1209 OE1 GLU A 78 8.540 0.064 -10.483 1.00 0.00 O ATOM 1210 OE2 GLU A 78 7.634 -1.785 -9.711 1.00 0.00 O ATOM 0 H GLU A 78 6.958 -0.728 -5.905 1.00 0.00 H new ATOM 0 HA GLU A 78 7.719 1.927 -6.193 1.00 0.00 H new ATOM 0 HB2 GLU A 78 6.002 0.208 -8.042 1.00 0.00 H new ATOM 0 HB3 GLU A 78 6.886 1.643 -8.523 1.00 0.00 H new ATOM 0 HG2 GLU A 78 9.020 0.541 -8.019 1.00 0.00 H new ATOM 0 HG3 GLU A 78 8.178 -0.876 -7.423 1.00 0.00 H new ATOM 1217 N GLN A 79 4.456 1.515 -6.013 1.00 0.00 N ATOM 1218 CA GLN A 79 3.182 2.214 -5.852 1.00 0.00 C ATOM 1219 C GLN A 79 3.172 3.130 -4.630 1.00 0.00 C ATOM 1220 O GLN A 79 2.649 4.245 -4.689 1.00 0.00 O ATOM 1221 CB GLN A 79 2.038 1.205 -5.749 1.00 0.00 C ATOM 1222 CG GLN A 79 1.736 0.495 -7.060 1.00 0.00 C ATOM 1223 CD GLN A 79 0.768 -0.661 -6.892 1.00 0.00 C ATOM 1224 OE1 GLN A 79 0.807 -1.303 -5.730 1.00 0.00 O flip ATOM 1225 NE2 GLN A 79 -0.002 -0.976 -7.798 1.00 0.00 N flip ATOM 0 H GLN A 79 4.388 0.499 -5.951 1.00 0.00 H new ATOM 0 HA GLN A 79 3.046 2.841 -6.734 1.00 0.00 H new ATOM 0 HB2 GLN A 79 2.287 0.462 -4.991 1.00 0.00 H new ATOM 0 HB3 GLN A 79 1.140 1.720 -5.408 1.00 0.00 H new ATOM 0 HG2 GLN A 79 1.320 1.211 -7.769 1.00 0.00 H new ATOM 0 HG3 GLN A 79 2.666 0.124 -7.490 1.00 0.00 H new ATOM 0 HE21 GLN A 79 0.002 -0.455 -8.675 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -0.644 -1.758 -7.672 1.00 0.00 H new ATOM 1234 N ILE A 80 3.743 2.664 -3.524 1.00 0.00 N ATOM 1235 CA ILE A 80 3.771 3.453 -2.297 1.00 0.00 C ATOM 1236 C ILE A 80 4.520 4.771 -2.489 1.00 0.00 C ATOM 1237 O ILE A 80 3.946 5.845 -2.302 1.00 0.00 O ATOM 1238 CB ILE A 80 4.389 2.661 -1.122 1.00 0.00 C ATOM 1239 CG1 ILE A 80 3.453 1.518 -0.716 1.00 0.00 C ATOM 1240 CG2 ILE A 80 4.660 3.577 0.067 1.00 0.00 C ATOM 1241 CD1 ILE A 80 4.011 0.623 0.370 1.00 0.00 C ATOM 0 H ILE A 80 4.190 1.750 -3.452 1.00 0.00 H new ATOM 0 HA ILE A 80 2.734 3.680 -2.051 1.00 0.00 H new ATOM 0 HB ILE A 80 5.341 2.242 -1.447 1.00 0.00 H new ATOM 0 HG12 ILE A 80 2.507 1.940 -0.375 1.00 0.00 H new ATOM 0 HG13 ILE A 80 3.233 0.912 -1.595 1.00 0.00 H new ATOM 0 HG21 ILE A 80 5.095 2.997 0.881 1.00 0.00 H new ATOM 0 HG22 ILE A 80 5.355 4.363 -0.230 1.00 0.00 H new ATOM 0 HG23 ILE A 80 3.725 4.026 0.401 1.00 0.00 H new ATOM 0 HD11 ILE A 80 3.290 -0.161 0.602 1.00 0.00 H new ATOM 0 HD12 ILE A 80 4.941 0.171 0.026 1.00 0.00 H new ATOM 0 HD13 ILE A 80 4.204 1.214 1.265 1.00 0.00 H new ATOM 1253 N GLY A 81 5.795 4.694 -2.861 1.00 0.00 N ATOM 1254 CA GLY A 81 6.570 5.908 -3.064 1.00 0.00 C ATOM 1255 C GLY A 81 8.031 5.646 -3.357 1.00 0.00 C ATOM 1256 O GLY A 81 8.363 4.911 -4.287 1.00 0.00 O ATOM 0 H GLY A 81 6.302 3.824 -3.024 1.00 0.00 H new ATOM 0 HA2 GLY A 81 6.137 6.473 -3.890 1.00 0.00 H new ATOM 0 HA3 GLY A 81 6.492 6.533 -2.175 1.00 0.00 H new ATOM 1260 N GLY A 82 8.909 6.251 -2.559 1.00 0.00 N ATOM 1261 CA GLY A 82 10.331 6.079 -2.770 1.00 0.00 C ATOM 1262 C GLY A 82 11.145 6.092 -1.489 1.00 0.00 C ATOM 1263 O GLY A 82 11.721 5.076 -1.112 1.00 0.00 O ATOM 0 H GLY A 82 8.659 6.854 -1.775 1.00 0.00 H new ATOM 0 HA2 GLY A 82 10.501 5.135 -3.288 1.00 0.00 H new ATOM 0 HA3 GLY A 82 10.690 6.872 -3.426 1.00 0.00 H new ATOM 1267 N GLU A 83 11.189 7.243 -0.821 1.00 0.00 N ATOM 1268 CA GLU A 83 11.968 7.397 0.409 1.00 0.00 C ATOM 1269 C GLU A 83 11.362 6.636 1.590 1.00 0.00 C ATOM 1270 O GLU A 83 12.081 6.237 2.507 1.00 0.00 O ATOM 1271 CB GLU A 83 12.094 8.880 0.767 1.00 0.00 C ATOM 1272 CG GLU A 83 12.987 9.143 1.969 1.00 0.00 C ATOM 1273 CD GLU A 83 12.957 10.593 2.411 1.00 0.00 C ATOM 1274 OE1 GLU A 83 12.096 10.940 3.247 1.00 0.00 O ATOM 1275 OE2 GLU A 83 13.793 11.381 1.922 1.00 0.00 O ATOM 0 H GLU A 83 10.693 8.086 -1.111 1.00 0.00 H new ATOM 0 HA GLU A 83 12.953 6.971 0.216 1.00 0.00 H new ATOM 0 HB2 GLU A 83 12.489 9.420 -0.093 1.00 0.00 H new ATOM 0 HB3 GLU A 83 11.101 9.282 0.968 1.00 0.00 H new ATOM 0 HG2 GLU A 83 12.672 8.508 2.797 1.00 0.00 H new ATOM 0 HG3 GLU A 83 14.011 8.863 1.724 1.00 0.00 H new ATOM 1282 N ARG A 84 10.051 6.429 1.570 1.00 0.00 N ATOM 1283 CA ARG A 84 9.381 5.727 2.659 1.00 0.00 C ATOM 1284 C ARG A 84 9.449 4.222 2.445 1.00 0.00 C ATOM 1285 O ARG A 84 9.802 3.470 3.354 1.00 0.00 O ATOM 1286 CB ARG A 84 7.922 6.188 2.805 1.00 0.00 C ATOM 1287 CG ARG A 84 7.097 6.113 1.527 1.00 0.00 C ATOM 1288 CD ARG A 84 7.239 7.375 0.689 1.00 0.00 C ATOM 1289 NE ARG A 84 6.076 7.593 -0.168 1.00 0.00 N ATOM 1290 CZ ARG A 84 5.893 8.687 -0.902 1.00 0.00 C ATOM 1291 NH1 ARG A 84 6.799 9.657 -0.891 1.00 0.00 N ATOM 1292 NH2 ARG A 84 4.804 8.812 -1.647 1.00 0.00 N ATOM 0 H ARG A 84 9.434 6.735 0.818 1.00 0.00 H new ATOM 0 HA ARG A 84 9.902 5.970 3.585 1.00 0.00 H new ATOM 0 HB2 ARG A 84 7.438 5.579 3.569 1.00 0.00 H new ATOM 0 HB3 ARG A 84 7.915 7.217 3.165 1.00 0.00 H new ATOM 0 HG2 ARG A 84 7.412 5.250 0.941 1.00 0.00 H new ATOM 0 HG3 ARG A 84 6.048 5.961 1.780 1.00 0.00 H new ATOM 0 HD2 ARG A 84 7.372 8.234 1.346 1.00 0.00 H new ATOM 0 HD3 ARG A 84 8.135 7.303 0.073 1.00 0.00 H new ATOM 0 HE ARG A 84 5.363 6.864 -0.206 1.00 0.00 H new ATOM 0 HH11 ARG A 84 7.638 9.565 -0.319 1.00 0.00 H new ATOM 0 HH12 ARG A 84 6.656 10.495 -1.455 1.00 0.00 H new ATOM 0 HH21 ARG A 84 4.105 8.069 -1.658 1.00 0.00 H new ATOM 0 HH22 ARG A 84 4.665 9.651 -2.210 1.00 0.00 H new ATOM 1306 N VAL A 85 9.111 3.788 1.239 1.00 0.00 N ATOM 1307 CA VAL A 85 9.158 2.375 0.901 1.00 0.00 C ATOM 1308 C VAL A 85 10.605 1.918 0.806 1.00 0.00 C ATOM 1309 O VAL A 85 10.902 0.727 0.890 1.00 0.00 O ATOM 1310 CB VAL A 85 8.429 2.055 -0.419 1.00 0.00 C ATOM 1311 CG1 VAL A 85 7.293 1.080 -0.163 1.00 0.00 C ATOM 1312 CG2 VAL A 85 7.907 3.321 -1.078 1.00 0.00 C ATOM 0 H VAL A 85 8.802 4.395 0.480 1.00 0.00 H new ATOM 0 HA VAL A 85 8.641 1.838 1.696 1.00 0.00 H new ATOM 0 HB VAL A 85 9.143 1.595 -1.102 1.00 0.00 H new ATOM 0 HG11 VAL A 85 6.784 0.860 -1.101 1.00 0.00 H new ATOM 0 HG12 VAL A 85 7.693 0.158 0.258 1.00 0.00 H new ATOM 0 HG13 VAL A 85 6.585 1.522 0.539 1.00 0.00 H new ATOM 0 HG21 VAL A 85 7.398 3.064 -2.007 1.00 0.00 H new ATOM 0 HG22 VAL A 85 7.208 3.819 -0.406 1.00 0.00 H new ATOM 0 HG23 VAL A 85 8.741 3.989 -1.294 1.00 0.00 H new ATOM 1322 N ARG A 86 11.497 2.887 0.608 1.00 0.00 N ATOM 1323 CA ARG A 86 12.930 2.621 0.513 1.00 0.00 C ATOM 1324 C ARG A 86 13.382 1.707 1.643 1.00 0.00 C ATOM 1325 O ARG A 86 14.332 0.939 1.494 1.00 0.00 O ATOM 1326 CB ARG A 86 13.710 3.936 0.571 1.00 0.00 C ATOM 1327 CG ARG A 86 14.664 4.139 -0.593 1.00 0.00 C ATOM 1328 CD ARG A 86 15.911 3.284 -0.446 1.00 0.00 C ATOM 1329 NE ARG A 86 16.614 3.563 0.803 1.00 0.00 N ATOM 1330 CZ ARG A 86 17.614 4.432 0.909 1.00 0.00 C ATOM 1331 NH1 ARG A 86 18.030 5.104 -0.156 1.00 0.00 N ATOM 1332 NH2 ARG A 86 18.199 4.631 2.082 1.00 0.00 N ATOM 0 H ARG A 86 11.249 3.871 0.510 1.00 0.00 H new ATOM 0 HA ARG A 86 13.126 2.125 -0.438 1.00 0.00 H new ATOM 0 HB2 ARG A 86 13.003 4.765 0.597 1.00 0.00 H new ATOM 0 HB3 ARG A 86 14.276 3.970 1.502 1.00 0.00 H new ATOM 0 HG2 ARG A 86 14.159 3.890 -1.526 1.00 0.00 H new ATOM 0 HG3 ARG A 86 14.947 5.190 -0.654 1.00 0.00 H new ATOM 0 HD2 ARG A 86 15.635 2.230 -0.481 1.00 0.00 H new ATOM 0 HD3 ARG A 86 16.579 3.467 -1.288 1.00 0.00 H new ATOM 0 HE ARG A 86 16.321 3.062 1.642 1.00 0.00 H new ATOM 0 HH11 ARG A 86 17.582 4.955 -1.060 1.00 0.00 H new ATOM 0 HH12 ARG A 86 18.798 5.770 -0.071 1.00 0.00 H new ATOM 0 HH21 ARG A 86 17.882 4.117 2.904 1.00 0.00 H new ATOM 0 HH22 ARG A 86 18.966 5.298 2.163 1.00 0.00 H new ATOM 1346 N ALA A 87 12.692 1.798 2.775 1.00 0.00 N ATOM 1347 CA ALA A 87 13.016 0.981 3.937 1.00 0.00 C ATOM 1348 C ALA A 87 12.491 -0.439 3.762 1.00 0.00 C ATOM 1349 O ALA A 87 13.130 -1.405 4.178 1.00 0.00 O ATOM 1350 CB ALA A 87 12.447 1.607 5.202 1.00 0.00 C ATOM 0 H ALA A 87 11.904 2.431 2.912 1.00 0.00 H new ATOM 0 HA ALA A 87 14.101 0.934 4.031 1.00 0.00 H new ATOM 0 HB1 ALA A 87 12.698 0.984 6.061 1.00 0.00 H new ATOM 0 HB2 ALA A 87 12.872 2.602 5.339 1.00 0.00 H new ATOM 0 HB3 ALA A 87 11.363 1.684 5.114 1.00 0.00 H new ATOM 1356 N ALA A 88 11.318 -0.557 3.144 1.00 0.00 N ATOM 1357 CA ALA A 88 10.706 -1.855 2.904 1.00 0.00 C ATOM 1358 C ALA A 88 11.588 -2.715 2.005 1.00 0.00 C ATOM 1359 O ALA A 88 11.834 -3.884 2.304 1.00 0.00 O ATOM 1360 CB ALA A 88 9.324 -1.683 2.292 1.00 0.00 C ATOM 0 H ALA A 88 10.774 0.235 2.801 1.00 0.00 H new ATOM 0 HA ALA A 88 10.601 -2.366 3.861 1.00 0.00 H new ATOM 0 HB1 ALA A 88 8.879 -2.663 2.118 1.00 0.00 H new ATOM 0 HB2 ALA A 88 8.693 -1.113 2.974 1.00 0.00 H new ATOM 0 HB3 ALA A 88 9.409 -1.150 1.345 1.00 0.00 H new ATOM 1366 N MET A 89 12.066 -2.137 0.903 1.00 0.00 N ATOM 1367 CA MET A 89 12.927 -2.872 -0.015 1.00 0.00 C ATOM 1368 C MET A 89 14.263 -3.170 0.650 1.00 0.00 C ATOM 1369 O MET A 89 14.902 -4.175 0.351 1.00 0.00 O ATOM 1370 CB MET A 89 13.139 -2.100 -1.327 1.00 0.00 C ATOM 1371 CG MET A 89 14.153 -0.969 -1.243 1.00 0.00 C ATOM 1372 SD MET A 89 15.856 -1.550 -1.376 1.00 0.00 S ATOM 1373 CE MET A 89 16.755 -0.011 -1.212 1.00 0.00 C ATOM 0 H MET A 89 11.873 -1.174 0.629 1.00 0.00 H new ATOM 0 HA MET A 89 12.434 -3.812 -0.262 1.00 0.00 H new ATOM 0 HB2 MET A 89 13.460 -2.801 -2.097 1.00 0.00 H new ATOM 0 HB3 MET A 89 12.182 -1.689 -1.649 1.00 0.00 H new ATOM 0 HG2 MET A 89 13.956 -0.250 -2.038 1.00 0.00 H new ATOM 0 HG3 MET A 89 14.026 -0.442 -0.297 1.00 0.00 H new ATOM 0 HE1 MET A 89 17.791 -0.160 -1.518 1.00 0.00 H new ATOM 0 HE2 MET A 89 16.295 0.748 -1.845 1.00 0.00 H new ATOM 0 HE3 MET A 89 16.727 0.318 -0.173 1.00 0.00 H new ATOM 1383 N GLU A 90 14.681 -2.285 1.553 1.00 0.00 N ATOM 1384 CA GLU A 90 15.935 -2.465 2.273 1.00 0.00 C ATOM 1385 C GLU A 90 15.843 -3.676 3.190 1.00 0.00 C ATOM 1386 O GLU A 90 16.829 -4.383 3.405 1.00 0.00 O ATOM 1387 CB GLU A 90 16.273 -1.217 3.094 1.00 0.00 C ATOM 1388 CG GLU A 90 17.062 -0.173 2.322 1.00 0.00 C ATOM 1389 CD GLU A 90 17.417 1.033 3.169 1.00 0.00 C ATOM 1390 OE1 GLU A 90 16.532 1.888 3.384 1.00 0.00 O ATOM 1391 OE2 GLU A 90 18.580 1.123 3.617 1.00 0.00 O ATOM 0 H GLU A 90 14.169 -1.438 1.801 1.00 0.00 H new ATOM 0 HA GLU A 90 16.728 -2.627 1.543 1.00 0.00 H new ATOM 0 HB2 GLU A 90 15.347 -0.768 3.453 1.00 0.00 H new ATOM 0 HB3 GLU A 90 16.845 -1.515 3.973 1.00 0.00 H new ATOM 0 HG2 GLU A 90 17.977 -0.625 1.938 1.00 0.00 H new ATOM 0 HG3 GLU A 90 16.481 0.152 1.459 1.00 0.00 H new ATOM 1398 N LYS A 91 14.650 -3.907 3.728 1.00 0.00 N ATOM 1399 CA LYS A 91 14.421 -5.037 4.622 1.00 0.00 C ATOM 1400 C LYS A 91 14.458 -6.356 3.860 1.00 0.00 C ATOM 1401 O LYS A 91 14.980 -7.353 4.359 1.00 0.00 O ATOM 1402 CB LYS A 91 13.081 -4.885 5.343 1.00 0.00 C ATOM 1403 CG LYS A 91 12.814 -5.970 6.377 1.00 0.00 C ATOM 1404 CD LYS A 91 13.850 -5.952 7.493 1.00 0.00 C ATOM 1405 CE LYS A 91 13.765 -4.678 8.320 1.00 0.00 C ATOM 1406 NZ LYS A 91 14.844 -4.606 9.343 1.00 0.00 N ATOM 0 H LYS A 91 13.827 -3.328 3.561 1.00 0.00 H new ATOM 0 HA LYS A 91 15.222 -5.047 5.361 1.00 0.00 H new ATOM 0 HB2 LYS A 91 13.052 -3.912 5.834 1.00 0.00 H new ATOM 0 HB3 LYS A 91 12.279 -4.894 4.605 1.00 0.00 H new ATOM 0 HG2 LYS A 91 11.820 -5.831 6.801 1.00 0.00 H new ATOM 0 HG3 LYS A 91 12.820 -6.945 5.891 1.00 0.00 H new ATOM 0 HD2 LYS A 91 13.702 -6.816 8.140 1.00 0.00 H new ATOM 0 HD3 LYS A 91 14.848 -6.042 7.064 1.00 0.00 H new ATOM 0 HE2 LYS A 91 13.832 -3.812 7.661 1.00 0.00 H new ATOM 0 HE3 LYS A 91 12.794 -4.629 8.813 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 14.750 -3.723 9.885 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 14.766 -5.418 9.988 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 15.771 -4.626 8.872 1.00 0.00 H new ATOM 1420 N LEU A 92 13.907 -6.362 2.650 1.00 0.00 N ATOM 1421 CA LEU A 92 13.893 -7.563 1.833 1.00 0.00 C ATOM 1422 C LEU A 92 15.233 -7.710 1.119 1.00 0.00 C ATOM 1423 O LEU A 92 15.635 -8.808 0.741 1.00 0.00 O ATOM 1424 CB LEU A 92 12.722 -7.505 0.842 1.00 0.00 C ATOM 1425 CG LEU A 92 13.032 -7.946 -0.588 1.00 0.00 C ATOM 1426 CD1 LEU A 92 13.093 -9.463 -0.682 1.00 0.00 C ATOM 1427 CD2 LEU A 92 11.988 -7.391 -1.544 1.00 0.00 C ATOM 0 H LEU A 92 13.467 -5.550 2.218 1.00 0.00 H new ATOM 0 HA LEU A 92 13.750 -8.441 2.463 1.00 0.00 H new ATOM 0 HB2 LEU A 92 11.915 -8.129 1.227 1.00 0.00 H new ATOM 0 HB3 LEU A 92 12.347 -6.482 0.812 1.00 0.00 H new ATOM 0 HG LEU A 92 14.008 -7.551 -0.870 1.00 0.00 H new ATOM 0 HD11 LEU A 92 13.315 -9.755 -1.708 1.00 0.00 H new ATOM 0 HD12 LEU A 92 13.875 -9.837 -0.021 1.00 0.00 H new ATOM 0 HD13 LEU A 92 12.133 -9.885 -0.384 1.00 0.00 H new ATOM 0 HD21 LEU A 92 12.218 -7.711 -2.560 1.00 0.00 H new ATOM 0 HD22 LEU A 92 11.003 -7.761 -1.261 1.00 0.00 H new ATOM 0 HD23 LEU A 92 11.994 -6.302 -1.497 1.00 0.00 H new ATOM 1439 N ALA A 93 15.923 -6.584 0.951 1.00 0.00 N ATOM 1440 CA ALA A 93 17.230 -6.568 0.305 1.00 0.00 C ATOM 1441 C ALA A 93 18.230 -7.371 1.119 1.00 0.00 C ATOM 1442 O ALA A 93 19.207 -7.899 0.587 1.00 0.00 O ATOM 1443 CB ALA A 93 17.721 -5.139 0.149 1.00 0.00 C ATOM 0 H ALA A 93 15.595 -5.667 1.256 1.00 0.00 H new ATOM 0 HA ALA A 93 17.134 -7.020 -0.682 1.00 0.00 H new ATOM 0 HB1 ALA A 93 18.698 -5.141 -0.335 1.00 0.00 H new ATOM 0 HB2 ALA A 93 17.015 -4.576 -0.461 1.00 0.00 H new ATOM 0 HB3 ALA A 93 17.803 -4.673 1.131 1.00 0.00 H new ATOM 1449 N GLU A 94 17.972 -7.458 2.417 1.00 0.00 N ATOM 1450 CA GLU A 94 18.835 -8.194 3.325 1.00 0.00 C ATOM 1451 C GLU A 94 18.529 -9.682 3.231 1.00 0.00 C ATOM 1452 O GLU A 94 19.387 -10.527 3.491 1.00 0.00 O ATOM 1453 CB GLU A 94 18.635 -7.693 4.754 1.00 0.00 C ATOM 1454 CG GLU A 94 19.525 -8.371 5.776 1.00 0.00 C ATOM 1455 CD GLU A 94 20.997 -8.284 5.421 1.00 0.00 C ATOM 1456 OE1 GLU A 94 21.494 -9.190 4.718 1.00 0.00 O ATOM 1457 OE2 GLU A 94 21.653 -7.310 5.845 1.00 0.00 O ATOM 0 H GLU A 94 17.165 -7.024 2.865 1.00 0.00 H new ATOM 0 HA GLU A 94 19.876 -8.033 3.045 1.00 0.00 H new ATOM 0 HB2 GLU A 94 18.821 -6.619 4.781 1.00 0.00 H new ATOM 0 HB3 GLU A 94 17.593 -7.843 5.038 1.00 0.00 H new ATOM 0 HG2 GLU A 94 19.363 -7.914 6.752 1.00 0.00 H new ATOM 0 HG3 GLU A 94 19.238 -9.419 5.863 1.00 0.00 H new ATOM 1464 N THR A 95 17.294 -9.990 2.853 1.00 0.00 N ATOM 1465 CA THR A 95 16.860 -11.368 2.687 1.00 0.00 C ATOM 1466 C THR A 95 16.590 -11.633 1.212 1.00 0.00 C ATOM 1467 O THR A 95 15.844 -12.544 0.852 1.00 0.00 O ATOM 1468 CB THR A 95 15.584 -11.667 3.498 1.00 0.00 C ATOM 1469 OG1 THR A 95 14.489 -10.898 2.988 1.00 0.00 O ATOM 1470 CG2 THR A 95 15.791 -11.347 4.971 1.00 0.00 C ATOM 0 H THR A 95 16.572 -9.297 2.655 1.00 0.00 H new ATOM 0 HA THR A 95 17.653 -12.018 3.055 1.00 0.00 H new ATOM 0 HB THR A 95 15.359 -12.729 3.401 1.00 0.00 H new ATOM 0 HG1 THR A 95 13.681 -11.094 3.507 1.00 0.00 H new ATOM 0 HG21 THR A 95 14.877 -11.566 5.523 1.00 0.00 H new ATOM 0 HG22 THR A 95 16.607 -11.954 5.364 1.00 0.00 H new ATOM 0 HG23 THR A 95 16.038 -10.291 5.083 1.00 0.00 H new ATOM 1478 N GLY A 96 17.220 -10.820 0.369 1.00 0.00 N ATOM 1479 CA GLY A 96 17.047 -10.932 -1.065 1.00 0.00 C ATOM 1480 C GLY A 96 17.371 -12.306 -1.606 1.00 0.00 C ATOM 1481 O GLY A 96 18.511 -12.765 -1.532 1.00 0.00 O ATOM 0 H GLY A 96 17.855 -10.077 0.661 1.00 0.00 H new ATOM 0 HA2 GLY A 96 16.016 -10.684 -1.319 1.00 0.00 H new ATOM 0 HA3 GLY A 96 17.683 -10.197 -1.558 1.00 0.00 H new ATOM 1485 N THR A 97 16.356 -12.963 -2.151 1.00 0.00 N ATOM 1486 CA THR A 97 16.518 -14.289 -2.733 1.00 0.00 C ATOM 1487 C THR A 97 15.562 -14.484 -3.907 1.00 0.00 C ATOM 1488 O THR A 97 14.366 -14.218 -3.795 1.00 0.00 O ATOM 1489 CB THR A 97 16.283 -15.400 -1.692 1.00 0.00 C ATOM 1490 OG1 THR A 97 16.345 -16.685 -2.323 1.00 0.00 O ATOM 1491 CG2 THR A 97 14.934 -15.231 -1.006 1.00 0.00 C ATOM 0 H THR A 97 15.406 -12.596 -2.202 1.00 0.00 H new ATOM 0 HA THR A 97 17.547 -14.360 -3.087 1.00 0.00 H new ATOM 0 HB THR A 97 17.066 -15.327 -0.937 1.00 0.00 H new ATOM 0 HG1 THR A 97 16.196 -17.385 -1.654 1.00 0.00 H new ATOM 0 HG21 THR A 97 14.794 -16.029 -0.276 1.00 0.00 H new ATOM 0 HG22 THR A 97 14.902 -14.266 -0.500 1.00 0.00 H new ATOM 0 HG23 THR A 97 14.139 -15.277 -1.750 1.00 0.00 H new ATOM 1499 N GLY A 98 16.097 -14.946 -5.032 1.00 0.00 N ATOM 1500 CA GLY A 98 15.276 -15.164 -6.210 1.00 0.00 C ATOM 1501 C GLY A 98 14.620 -13.890 -6.712 1.00 0.00 C ATOM 1502 O GLY A 98 15.225 -12.817 -6.680 1.00 0.00 O ATOM 0 H GLY A 98 17.084 -15.174 -5.150 1.00 0.00 H new ATOM 0 HA2 GLY A 98 15.892 -15.588 -7.003 1.00 0.00 H new ATOM 0 HA3 GLY A 98 14.504 -15.898 -5.979 1.00 0.00 H new ATOM 1506 N PHE A 99 13.380 -14.012 -7.177 1.00 0.00 N ATOM 1507 CA PHE A 99 12.629 -12.869 -7.691 1.00 0.00 C ATOM 1508 C PHE A 99 12.403 -11.827 -6.599 1.00 0.00 C ATOM 1509 O PHE A 99 12.304 -10.632 -6.877 1.00 0.00 O ATOM 1510 CB PHE A 99 11.283 -13.340 -8.257 1.00 0.00 C ATOM 1511 CG PHE A 99 10.336 -12.225 -8.605 1.00 0.00 C ATOM 1512 CD1 PHE A 99 10.495 -11.500 -9.776 1.00 0.00 C ATOM 1513 CD2 PHE A 99 9.284 -11.905 -7.760 1.00 0.00 C ATOM 1514 CE1 PHE A 99 9.621 -10.477 -10.097 1.00 0.00 C ATOM 1515 CE2 PHE A 99 8.408 -10.886 -8.077 1.00 0.00 C ATOM 1516 CZ PHE A 99 8.576 -10.170 -9.246 1.00 0.00 C ATOM 0 H PHE A 99 12.871 -14.895 -7.209 1.00 0.00 H new ATOM 0 HA PHE A 99 13.212 -12.406 -8.487 1.00 0.00 H new ATOM 0 HB2 PHE A 99 11.466 -13.938 -9.150 1.00 0.00 H new ATOM 0 HB3 PHE A 99 10.804 -13.994 -7.528 1.00 0.00 H new ATOM 0 HD1 PHE A 99 11.310 -11.736 -10.444 1.00 0.00 H new ATOM 0 HD2 PHE A 99 9.148 -12.459 -6.843 1.00 0.00 H new ATOM 0 HE1 PHE A 99 9.755 -9.919 -11.012 1.00 0.00 H new ATOM 0 HE2 PHE A 99 7.592 -10.649 -7.411 1.00 0.00 H new ATOM 0 HZ PHE A 99 7.892 -9.372 -9.495 1.00 0.00 H new ATOM 1526 N ALA A 100 12.327 -12.292 -5.357 1.00 0.00 N ATOM 1527 CA ALA A 100 12.108 -11.409 -4.217 1.00 0.00 C ATOM 1528 C ALA A 100 13.170 -10.316 -4.144 1.00 0.00 C ATOM 1529 O ALA A 100 12.874 -9.175 -3.796 1.00 0.00 O ATOM 1530 CB ALA A 100 12.092 -12.216 -2.929 1.00 0.00 C ATOM 0 H ALA A 100 12.414 -13.279 -5.113 1.00 0.00 H new ATOM 0 HA ALA A 100 11.141 -10.923 -4.348 1.00 0.00 H new ATOM 0 HB1 ALA A 100 11.928 -11.548 -2.083 1.00 0.00 H new ATOM 0 HB2 ALA A 100 11.289 -12.952 -2.971 1.00 0.00 H new ATOM 0 HB3 ALA A 100 13.047 -12.727 -2.808 1.00 0.00 H new ATOM 1536 N ARG A 101 14.404 -10.670 -4.476 1.00 0.00 N ATOM 1537 CA ARG A 101 15.511 -9.719 -4.439 1.00 0.00 C ATOM 1538 C ARG A 101 15.401 -8.686 -5.553 1.00 0.00 C ATOM 1539 O ARG A 101 15.409 -7.482 -5.296 1.00 0.00 O ATOM 1540 CB ARG A 101 16.837 -10.457 -4.562 1.00 0.00 C ATOM 1541 CG ARG A 101 18.043 -9.534 -4.624 1.00 0.00 C ATOM 1542 CD ARG A 101 19.243 -10.141 -3.920 1.00 0.00 C ATOM 1543 NE ARG A 101 19.593 -11.452 -4.458 1.00 0.00 N ATOM 1544 CZ ARG A 101 20.557 -12.220 -3.959 1.00 0.00 C ATOM 1545 NH1 ARG A 101 21.263 -11.808 -2.914 1.00 0.00 N ATOM 1546 NH2 ARG A 101 20.815 -13.401 -4.503 1.00 0.00 N ATOM 0 H ARG A 101 14.666 -11.610 -4.775 1.00 0.00 H new ATOM 0 HA ARG A 101 15.465 -9.196 -3.484 1.00 0.00 H new ATOM 0 HB2 ARG A 101 16.949 -11.131 -3.712 1.00 0.00 H new ATOM 0 HB3 ARG A 101 16.817 -11.076 -5.459 1.00 0.00 H new ATOM 0 HG2 ARG A 101 18.294 -9.331 -5.665 1.00 0.00 H new ATOM 0 HG3 ARG A 101 17.795 -8.578 -4.164 1.00 0.00 H new ATOM 0 HD2 ARG A 101 20.097 -9.470 -4.017 1.00 0.00 H new ATOM 0 HD3 ARG A 101 19.029 -10.232 -2.855 1.00 0.00 H new ATOM 0 HE ARG A 101 19.069 -11.798 -5.262 1.00 0.00 H new ATOM 0 HH11 ARG A 101 21.067 -10.900 -2.492 1.00 0.00 H new ATOM 0 HH12 ARG A 101 22.002 -12.399 -2.533 1.00 0.00 H new ATOM 0 HH21 ARG A 101 20.274 -13.722 -5.306 1.00 0.00 H new ATOM 0 HH22 ARG A 101 21.555 -13.989 -4.119 1.00 0.00 H new ATOM 1560 N LYS A 102 15.311 -9.167 -6.792 1.00 0.00 N ATOM 1561 CA LYS A 102 15.203 -8.293 -7.955 1.00 0.00 C ATOM 1562 C LYS A 102 14.144 -7.216 -7.732 1.00 0.00 C ATOM 1563 O LYS A 102 14.175 -6.156 -8.352 1.00 0.00 O ATOM 1564 CB LYS A 102 14.859 -9.118 -9.197 1.00 0.00 C ATOM 1565 CG LYS A 102 14.683 -8.284 -10.453 1.00 0.00 C ATOM 1566 CD LYS A 102 14.111 -9.109 -11.592 1.00 0.00 C ATOM 1567 CE LYS A 102 13.799 -8.243 -12.801 1.00 0.00 C ATOM 1568 NZ LYS A 102 15.019 -7.581 -13.340 1.00 0.00 N ATOM 0 H LYS A 102 15.311 -10.162 -7.015 1.00 0.00 H new ATOM 0 HA LYS A 102 16.164 -7.800 -8.105 1.00 0.00 H new ATOM 0 HB2 LYS A 102 15.648 -9.851 -9.366 1.00 0.00 H new ATOM 0 HB3 LYS A 102 13.941 -9.675 -9.010 1.00 0.00 H new ATOM 0 HG2 LYS A 102 14.022 -7.443 -10.243 1.00 0.00 H new ATOM 0 HG3 LYS A 102 15.645 -7.866 -10.752 1.00 0.00 H new ATOM 0 HD2 LYS A 102 14.822 -9.886 -11.873 1.00 0.00 H new ATOM 0 HD3 LYS A 102 13.203 -9.612 -11.259 1.00 0.00 H new ATOM 0 HE2 LYS A 102 13.345 -8.856 -13.579 1.00 0.00 H new ATOM 0 HE3 LYS A 102 13.066 -7.485 -12.525 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 14.790 -7.111 -14.239 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 15.361 -6.875 -12.657 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 15.759 -8.294 -13.501 1.00 0.00 H new ATOM 1582 N VAL A 103 13.213 -7.502 -6.832 1.00 0.00 N ATOM 1583 CA VAL A 103 12.139 -6.576 -6.508 1.00 0.00 C ATOM 1584 C VAL A 103 12.661 -5.335 -5.782 1.00 0.00 C ATOM 1585 O VAL A 103 12.514 -4.213 -6.266 1.00 0.00 O ATOM 1586 CB VAL A 103 11.083 -7.273 -5.629 1.00 0.00 C ATOM 1587 CG1 VAL A 103 10.197 -6.257 -4.923 1.00 0.00 C ATOM 1588 CG2 VAL A 103 10.243 -8.226 -6.465 1.00 0.00 C ATOM 0 H VAL A 103 13.182 -8.377 -6.309 1.00 0.00 H new ATOM 0 HA VAL A 103 11.688 -6.259 -7.448 1.00 0.00 H new ATOM 0 HB VAL A 103 11.606 -7.848 -4.865 1.00 0.00 H new ATOM 0 HG11 VAL A 103 9.462 -6.779 -4.310 1.00 0.00 H new ATOM 0 HG12 VAL A 103 10.811 -5.618 -4.288 1.00 0.00 H new ATOM 0 HG13 VAL A 103 9.683 -5.645 -5.664 1.00 0.00 H new ATOM 0 HG21 VAL A 103 9.502 -8.711 -5.830 1.00 0.00 H new ATOM 0 HG22 VAL A 103 9.737 -7.669 -7.253 1.00 0.00 H new ATOM 0 HG23 VAL A 103 10.888 -8.983 -6.912 1.00 0.00 H new ATOM 1598 N ALA A 104 13.273 -5.552 -4.622 1.00 0.00 N ATOM 1599 CA ALA A 104 13.807 -4.462 -3.808 1.00 0.00 C ATOM 1600 C ALA A 104 14.827 -3.615 -4.567 1.00 0.00 C ATOM 1601 O ALA A 104 14.681 -2.399 -4.690 1.00 0.00 O ATOM 1602 CB ALA A 104 14.450 -5.029 -2.552 1.00 0.00 C ATOM 0 H ALA A 104 13.413 -6.479 -4.221 1.00 0.00 H new ATOM 0 HA ALA A 104 12.972 -3.812 -3.546 1.00 0.00 H new ATOM 0 HB1 ALA A 104 14.847 -4.214 -1.947 1.00 0.00 H new ATOM 0 HB2 ALA A 104 13.704 -5.577 -1.977 1.00 0.00 H new ATOM 0 HB3 ALA A 104 15.260 -5.703 -2.830 1.00 0.00 H new ATOM 1608 N VAL A 105 15.855 -4.279 -5.066 1.00 0.00 N ATOM 1609 CA VAL A 105 16.945 -3.623 -5.789 1.00 0.00 C ATOM 1610 C VAL A 105 16.462 -2.810 -6.989 1.00 0.00 C ATOM 1611 O VAL A 105 16.634 -1.593 -7.025 1.00 0.00 O ATOM 1612 CB VAL A 105 17.985 -4.654 -6.268 1.00 0.00 C ATOM 1613 CG1 VAL A 105 19.219 -3.958 -6.821 1.00 0.00 C ATOM 1614 CG2 VAL A 105 18.361 -5.598 -5.135 1.00 0.00 C ATOM 0 H VAL A 105 15.963 -5.290 -4.984 1.00 0.00 H new ATOM 0 HA VAL A 105 17.400 -2.933 -5.079 1.00 0.00 H new ATOM 0 HB VAL A 105 17.540 -5.242 -7.071 1.00 0.00 H new ATOM 0 HG11 VAL A 105 19.940 -4.705 -7.153 1.00 0.00 H new ATOM 0 HG12 VAL A 105 18.934 -3.328 -7.664 1.00 0.00 H new ATOM 0 HG13 VAL A 105 19.668 -3.341 -6.043 1.00 0.00 H new ATOM 0 HG21 VAL A 105 19.096 -6.319 -5.491 1.00 0.00 H new ATOM 0 HG22 VAL A 105 18.785 -5.025 -4.310 1.00 0.00 H new ATOM 0 HG23 VAL A 105 17.472 -6.126 -4.791 1.00 0.00 H new ATOM 1624 N ASN A 106 15.870 -3.479 -7.971 1.00 0.00 N ATOM 1625 CA ASN A 106 15.398 -2.799 -9.175 1.00 0.00 C ATOM 1626 C ASN A 106 14.408 -1.683 -8.855 1.00 0.00 C ATOM 1627 O ASN A 106 14.296 -0.718 -9.609 1.00 0.00 O ATOM 1628 CB ASN A 106 14.770 -3.799 -10.145 1.00 0.00 C ATOM 1629 CG ASN A 106 15.809 -4.702 -10.782 1.00 0.00 C ATOM 1630 OD1 ASN A 106 16.162 -5.744 -10.234 1.00 0.00 O ATOM 1631 ND2 ASN A 106 16.310 -4.299 -11.943 1.00 0.00 N ATOM 0 H ASN A 106 15.705 -4.486 -7.960 1.00 0.00 H new ATOM 0 HA ASN A 106 16.268 -2.341 -9.646 1.00 0.00 H new ATOM 0 HB2 ASN A 106 14.037 -4.407 -9.615 1.00 0.00 H new ATOM 0 HB3 ASN A 106 14.232 -3.259 -10.924 1.00 0.00 H new ATOM 0 HD21 ASN A 106 17.017 -4.862 -12.416 1.00 0.00 H new ATOM 0 HD22 ASN A 106 15.988 -3.427 -12.362 1.00 0.00 H new ATOM 1638 N TYR A 107 13.686 -1.811 -7.745 1.00 0.00 N ATOM 1639 CA TYR A 107 12.720 -0.794 -7.356 1.00 0.00 C ATOM 1640 C TYR A 107 13.415 0.551 -7.159 1.00 0.00 C ATOM 1641 O TYR A 107 12.825 1.606 -7.389 1.00 0.00 O ATOM 1642 CB TYR A 107 11.979 -1.224 -6.088 1.00 0.00 C ATOM 1643 CG TYR A 107 11.454 -0.074 -5.264 1.00 0.00 C ATOM 1644 CD1 TYR A 107 10.481 0.783 -5.756 1.00 0.00 C ATOM 1645 CD2 TYR A 107 11.947 0.155 -3.996 1.00 0.00 C ATOM 1646 CE1 TYR A 107 10.014 1.838 -4.997 1.00 0.00 C ATOM 1647 CE2 TYR A 107 11.489 1.204 -3.229 1.00 0.00 C ATOM 1648 CZ TYR A 107 10.522 2.043 -3.734 1.00 0.00 C ATOM 1649 OH TYR A 107 10.065 3.092 -2.977 1.00 0.00 O ATOM 0 H TYR A 107 13.752 -2.603 -7.105 1.00 0.00 H new ATOM 0 HA TYR A 107 11.986 -0.680 -8.154 1.00 0.00 H new ATOM 0 HB2 TYR A 107 11.145 -1.868 -6.368 1.00 0.00 H new ATOM 0 HB3 TYR A 107 12.651 -1.822 -5.472 1.00 0.00 H new ATOM 0 HD1 TYR A 107 10.083 0.623 -6.747 1.00 0.00 H new ATOM 0 HD2 TYR A 107 12.707 -0.501 -3.597 1.00 0.00 H new ATOM 0 HE1 TYR A 107 9.255 2.498 -5.392 1.00 0.00 H new ATOM 0 HE2 TYR A 107 11.886 1.367 -2.238 1.00 0.00 H new ATOM 0 HH TYR A 107 9.388 3.589 -3.482 1.00 0.00 H new ATOM 1659 N LEU A 108 14.674 0.499 -6.732 1.00 0.00 N ATOM 1660 CA LEU A 108 15.466 1.705 -6.507 1.00 0.00 C ATOM 1661 C LEU A 108 15.455 2.606 -7.736 1.00 0.00 C ATOM 1662 O LEU A 108 15.671 3.814 -7.635 1.00 0.00 O ATOM 1663 CB LEU A 108 16.907 1.333 -6.156 1.00 0.00 C ATOM 1664 CG LEU A 108 17.163 1.031 -4.679 1.00 0.00 C ATOM 1665 CD1 LEU A 108 18.516 0.362 -4.501 1.00 0.00 C ATOM 1666 CD2 LEU A 108 17.086 2.307 -3.854 1.00 0.00 C ATOM 0 H LEU A 108 15.170 -0.370 -6.534 1.00 0.00 H new ATOM 0 HA LEU A 108 15.019 2.249 -5.675 1.00 0.00 H new ATOM 0 HB2 LEU A 108 17.193 0.460 -6.743 1.00 0.00 H new ATOM 0 HB3 LEU A 108 17.560 2.150 -6.461 1.00 0.00 H new ATOM 0 HG LEU A 108 16.391 0.347 -4.327 1.00 0.00 H new ATOM 0 HD11 LEU A 108 18.683 0.154 -3.444 1.00 0.00 H new ATOM 0 HD12 LEU A 108 18.537 -0.572 -5.063 1.00 0.00 H new ATOM 0 HD13 LEU A 108 19.300 1.024 -4.869 1.00 0.00 H new ATOM 0 HD21 LEU A 108 17.271 2.074 -2.805 1.00 0.00 H new ATOM 0 HD22 LEU A 108 17.837 3.014 -4.206 1.00 0.00 H new ATOM 0 HD23 LEU A 108 16.095 2.749 -3.959 1.00 0.00 H new ATOM 1678 N GLU A 109 15.203 2.008 -8.896 1.00 0.00 N ATOM 1679 CA GLU A 109 15.157 2.754 -10.152 1.00 0.00 C ATOM 1680 C GLU A 109 14.097 3.852 -10.104 1.00 0.00 C ATOM 1681 O GLU A 109 14.015 4.687 -11.005 1.00 0.00 O ATOM 1682 CB GLU A 109 14.879 1.808 -11.322 1.00 0.00 C ATOM 1683 CG GLU A 109 16.000 0.811 -11.576 1.00 0.00 C ATOM 1684 CD GLU A 109 17.311 1.484 -11.928 1.00 0.00 C ATOM 1685 OE1 GLU A 109 18.052 1.865 -10.998 1.00 0.00 O ATOM 1686 OE2 GLU A 109 17.597 1.631 -13.135 1.00 0.00 O ATOM 0 H GLU A 109 15.027 1.008 -8.994 1.00 0.00 H new ATOM 0 HA GLU A 109 16.129 3.225 -10.297 1.00 0.00 H new ATOM 0 HB2 GLU A 109 13.956 1.263 -11.126 1.00 0.00 H new ATOM 0 HB3 GLU A 109 14.716 2.397 -12.224 1.00 0.00 H new ATOM 0 HG2 GLU A 109 16.140 0.194 -10.689 1.00 0.00 H new ATOM 0 HG3 GLU A 109 15.710 0.143 -12.387 1.00 0.00 H new ATOM 1693 N THR A 110 13.285 3.845 -9.049 1.00 0.00 N ATOM 1694 CA THR A 110 12.239 4.845 -8.877 1.00 0.00 C ATOM 1695 C THR A 110 12.746 6.010 -8.038 1.00 0.00 C ATOM 1696 O THR A 110 12.665 7.167 -8.452 1.00 0.00 O ATOM 1697 CB THR A 110 10.988 4.247 -8.201 1.00 0.00 C ATOM 1698 OG1 THR A 110 11.308 3.817 -6.873 1.00 0.00 O ATOM 1699 CG2 THR A 110 10.451 3.072 -9.003 1.00 0.00 C ATOM 0 H THR A 110 13.333 3.155 -8.300 1.00 0.00 H new ATOM 0 HA THR A 110 11.965 5.197 -9.871 1.00 0.00 H new ATOM 0 HB THR A 110 10.220 5.019 -8.158 1.00 0.00 H new ATOM 0 HG1 THR A 110 10.701 3.095 -6.608 1.00 0.00 H new ATOM 0 HG21 THR A 110 9.569 2.666 -8.508 1.00 0.00 H new ATOM 0 HG22 THR A 110 10.182 3.408 -10.005 1.00 0.00 H new ATOM 0 HG23 THR A 110 11.216 2.299 -9.072 1.00 0.00 H new ATOM 1707 N HIS A 111 13.270 5.697 -6.856 1.00 0.00 N ATOM 1708 CA HIS A 111 13.795 6.719 -5.957 1.00 0.00 C ATOM 1709 C HIS A 111 15.000 6.195 -5.180 1.00 0.00 C ATOM 1710 O HIS A 111 14.798 5.622 -4.090 1.00 0.00 O ATOM 1711 CB HIS A 111 12.707 7.185 -4.988 1.00 0.00 C ATOM 1712 CG HIS A 111 11.626 7.985 -5.644 1.00 0.00 C ATOM 1713 ND1 HIS A 111 10.398 7.455 -5.984 1.00 0.00 N ATOM 1714 CD2 HIS A 111 11.591 9.284 -6.024 1.00 0.00 C ATOM 1715 CE1 HIS A 111 9.657 8.393 -6.546 1.00 0.00 C ATOM 1716 NE2 HIS A 111 10.358 9.512 -6.581 1.00 0.00 N ATOM 1717 OXT HIS A 111 16.137 6.364 -5.670 1.00 0.00 O ATOM 0 H HIS A 111 13.342 4.744 -6.499 1.00 0.00 H new ATOM 0 HA HIS A 111 14.118 7.567 -6.561 1.00 0.00 H new ATOM 0 HB2 HIS A 111 12.262 6.314 -4.507 1.00 0.00 H new ATOM 0 HB3 HIS A 111 13.165 7.784 -4.201 1.00 0.00 H new ATOM 0 HD2 HIS A 111 12.386 10.006 -5.910 1.00 0.00 H new ATOM 0 HE1 HIS A 111 8.650 8.267 -6.914 1.00 0.00 H new ATOM 0 HE2 HIS A 111 10.035 10.402 -6.961 1.00 0.00 H new TER 1726 HIS A 111