USER MOD reduce.3.24.130724 H: found=0, std=0, add=1011, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 1005 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 47 TYR OH : rot 72:sc= 0.0314 USER MOD Set 1.2: A 64 HIS : no HE2:sc= -5.98! C(o=-5.9!,f=-6.3!) USER MOD Single : A 1 GLY N :NH3+ -137:sc= 0.0163 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ 154:sc= -0.165 (180deg=-1.55) USER MOD Single : A 21 GLN : amide:sc= -3.1! C(o=-3.1!,f=-4.3!) USER MOD Single : A 23 CYS SG : rot 29:sc= 0.0231 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 GLN : amide:sc= -2.17 X(o=-2.2,f=-2.3) USER MOD Single : A 29 HIS : no HD1:sc= -0.263 X(o=-0.26,f=-0.13) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 ASN :FLIP amide:sc= -0.84 F(o=-1.3,f=-0.84) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ -171:sc= -0.566 (180deg=-0.566) USER MOD Single : A 49 HIS : no HD1:sc= -5.44! C(o=-5.4!,f=-9.6!) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 TYR OH : rot 180:sc= 0.545 USER MOD Single : A 68 CYS SG : rot 140:sc= -3.94! USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 75 SER OG : rot -64:sc= 1.07 USER MOD Single : A 76 ASN : amide:sc= -0.276 K(o=-0.28,f=-1.4!) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 78 ASN : amide:sc= -0.194 K(o=-0.19,f=-1.1) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 86 ASN :FLIP amide:sc= -3.21 F(o=-6.7!,f=-3.2) USER MOD Single : A 92 THR OG1 : rot 170:sc= 0.00711 USER MOD Single : A 97 HIS : no HD1:sc= -5.82! C(o=-5.8!,f=-5.8!) USER MOD Single : A 98 TYR OH : rot 180:sc= -0.402 USER MOD Single : A 101 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 104 THR OG1 : rot 180:sc= 0.0661 USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 THR OG1 : rot 180:sc=-0.00669 USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 116 GLN :FLIP amide:sc= -1.78 F(o=-2.4,f=-1.8) USER MOD Single : A 117 MET CE :methyl 165:sc= -2.61! (180deg=-3.53!) USER MOD Single : A 119 SER OG : rot -65:sc= -0.963 USER MOD Single : A 121 THR OG1 : rot 180:sc= -0.0405 USER MOD Single : A 123 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 124 SER OG : rot 180:sc= 0 USER MOD Single : A 127 SER OG : rot 180:sc= 0 USER MOD Single : A 128 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 18.487 -11.270 15.660 1.00 0.00 N ATOM 2 CA GLY A 1 19.317 -11.797 14.590 1.00 0.00 C ATOM 3 C GLY A 1 20.733 -12.091 15.089 1.00 0.00 C ATOM 4 O GLY A 1 20.913 -12.587 16.201 1.00 0.00 O ATOM 0 H1 GLY A 1 17.549 -11.718 15.624 1.00 0.00 H new ATOM 0 H2 GLY A 1 18.933 -11.473 16.577 1.00 0.00 H new ATOM 0 H3 GLY A 1 18.384 -10.242 15.545 1.00 0.00 H new ATOM 0 HA2 GLY A 1 18.870 -12.709 14.194 1.00 0.00 H new ATOM 0 HA3 GLY A 1 19.358 -11.080 13.770 1.00 0.00 H new ATOM 8 N SER A 2 21.702 -11.772 14.244 1.00 0.00 N ATOM 9 CA SER A 2 23.096 -11.996 14.585 1.00 0.00 C ATOM 10 C SER A 2 23.911 -10.730 14.313 1.00 0.00 C ATOM 11 O SER A 2 24.537 -10.183 15.220 1.00 0.00 O ATOM 12 CB SER A 2 23.672 -13.177 13.801 1.00 0.00 C ATOM 13 OG SER A 2 22.853 -14.338 13.906 1.00 0.00 O ATOM 0 H SER A 2 21.549 -11.360 13.324 1.00 0.00 H new ATOM 0 HA SER A 2 23.154 -12.237 15.646 1.00 0.00 H new ATOM 0 HB2 SER A 2 23.775 -12.900 12.752 1.00 0.00 H new ATOM 0 HB3 SER A 2 24.672 -13.404 14.170 1.00 0.00 H new ATOM 0 HG SER A 2 23.254 -15.069 13.391 1.00 0.00 H new ATOM 19 N SER A 3 23.878 -10.302 13.059 1.00 0.00 N ATOM 20 CA SER A 3 24.606 -9.110 12.656 1.00 0.00 C ATOM 21 C SER A 3 23.691 -7.887 12.735 1.00 0.00 C ATOM 22 O SER A 3 23.994 -6.925 13.439 1.00 0.00 O ATOM 23 CB SER A 3 25.170 -9.262 11.242 1.00 0.00 C ATOM 24 OG SER A 3 26.577 -9.484 11.250 1.00 0.00 O ATOM 0 H SER A 3 23.359 -10.759 12.309 1.00 0.00 H new ATOM 0 HA SER A 3 25.444 -8.973 13.339 1.00 0.00 H new ATOM 0 HB2 SER A 3 24.675 -10.094 10.742 1.00 0.00 H new ATOM 0 HB3 SER A 3 24.948 -8.365 10.665 1.00 0.00 H new ATOM 0 HG SER A 3 26.899 -9.578 10.329 1.00 0.00 H new ATOM 30 N GLY A 4 22.590 -7.963 12.002 1.00 0.00 N ATOM 31 CA GLY A 4 21.629 -6.873 11.980 1.00 0.00 C ATOM 32 C GLY A 4 22.172 -5.679 11.193 1.00 0.00 C ATOM 33 O GLY A 4 22.881 -5.854 10.203 1.00 0.00 O ATOM 0 H GLY A 4 22.342 -8.762 11.419 1.00 0.00 H new ATOM 0 HA2 GLY A 4 20.696 -7.215 11.531 1.00 0.00 H new ATOM 0 HA3 GLY A 4 21.398 -6.566 13.000 1.00 0.00 H new ATOM 37 N SER A 5 21.820 -4.491 11.664 1.00 0.00 N ATOM 38 CA SER A 5 22.263 -3.268 11.016 1.00 0.00 C ATOM 39 C SER A 5 21.829 -2.054 11.839 1.00 0.00 C ATOM 40 O SER A 5 20.676 -1.962 12.257 1.00 0.00 O ATOM 41 CB SER A 5 21.713 -3.168 9.592 1.00 0.00 C ATOM 42 OG SER A 5 22.218 -2.027 8.904 1.00 0.00 O ATOM 0 H SER A 5 21.233 -4.350 12.486 1.00 0.00 H new ATOM 0 HA SER A 5 23.351 -3.288 10.955 1.00 0.00 H new ATOM 0 HB2 SER A 5 21.974 -4.070 9.038 1.00 0.00 H new ATOM 0 HB3 SER A 5 20.625 -3.118 9.626 1.00 0.00 H new ATOM 0 HG SER A 5 21.845 -2.000 7.998 1.00 0.00 H new ATOM 48 N SER A 6 22.777 -1.152 12.048 1.00 0.00 N ATOM 49 CA SER A 6 22.507 0.053 12.814 1.00 0.00 C ATOM 50 C SER A 6 23.333 1.218 12.265 1.00 0.00 C ATOM 51 O SER A 6 24.216 1.019 11.431 1.00 0.00 O ATOM 52 CB SER A 6 22.810 -0.158 14.299 1.00 0.00 C ATOM 53 OG SER A 6 24.191 -0.423 14.530 1.00 0.00 O ATOM 0 H SER A 6 23.733 -1.231 11.700 1.00 0.00 H new ATOM 0 HA SER A 6 21.447 0.289 12.717 1.00 0.00 H new ATOM 0 HB2 SER A 6 22.512 0.728 14.859 1.00 0.00 H new ATOM 0 HB3 SER A 6 22.213 -0.989 14.676 1.00 0.00 H new ATOM 0 HG SER A 6 24.344 -0.550 15.490 1.00 0.00 H new ATOM 59 N GLY A 7 23.018 2.408 12.754 1.00 0.00 N ATOM 60 CA GLY A 7 23.720 3.605 12.323 1.00 0.00 C ATOM 61 C GLY A 7 23.830 3.657 10.798 1.00 0.00 C ATOM 62 O GLY A 7 24.914 3.483 10.243 1.00 0.00 O ATOM 0 H GLY A 7 22.285 2.569 13.445 1.00 0.00 H new ATOM 0 HA2 GLY A 7 23.194 4.489 12.684 1.00 0.00 H new ATOM 0 HA3 GLY A 7 24.717 3.625 12.764 1.00 0.00 H new ATOM 66 N VAL A 8 22.692 3.896 10.162 1.00 0.00 N ATOM 67 CA VAL A 8 22.647 3.973 8.712 1.00 0.00 C ATOM 68 C VAL A 8 21.768 5.154 8.295 1.00 0.00 C ATOM 69 O VAL A 8 21.091 5.753 9.129 1.00 0.00 O ATOM 70 CB VAL A 8 22.170 2.639 8.132 1.00 0.00 C ATOM 71 CG1 VAL A 8 20.709 2.372 8.500 1.00 0.00 C ATOM 72 CG2 VAL A 8 22.370 2.598 6.616 1.00 0.00 C ATOM 0 H VAL A 8 21.794 4.039 10.625 1.00 0.00 H new ATOM 0 HA VAL A 8 23.644 4.151 8.308 1.00 0.00 H new ATOM 0 HB VAL A 8 22.776 1.847 8.571 1.00 0.00 H new ATOM 0 HG11 VAL A 8 20.395 1.418 8.076 1.00 0.00 H new ATOM 0 HG12 VAL A 8 20.607 2.337 9.585 1.00 0.00 H new ATOM 0 HG13 VAL A 8 20.082 3.170 8.102 1.00 0.00 H new ATOM 0 HG21 VAL A 8 22.023 1.640 6.229 1.00 0.00 H new ATOM 0 HG22 VAL A 8 21.801 3.404 6.152 1.00 0.00 H new ATOM 0 HG23 VAL A 8 23.428 2.721 6.385 1.00 0.00 H new ATOM 82 N ILE A 9 21.807 5.453 7.005 1.00 0.00 N ATOM 83 CA ILE A 9 21.023 6.551 6.467 1.00 0.00 C ATOM 84 C ILE A 9 19.535 6.211 6.575 1.00 0.00 C ATOM 85 O ILE A 9 19.175 5.086 6.920 1.00 0.00 O ATOM 86 CB ILE A 9 21.476 6.887 5.045 1.00 0.00 C ATOM 87 CG1 ILE A 9 23.002 6.950 4.956 1.00 0.00 C ATOM 88 CG2 ILE A 9 20.819 8.178 4.551 1.00 0.00 C ATOM 89 CD1 ILE A 9 23.578 5.622 4.462 1.00 0.00 C ATOM 0 H ILE A 9 22.370 4.953 6.316 1.00 0.00 H new ATOM 0 HA ILE A 9 21.186 7.457 7.051 1.00 0.00 H new ATOM 0 HB ILE A 9 21.148 6.085 4.384 1.00 0.00 H new ATOM 0 HG12 ILE A 9 23.298 7.752 4.280 1.00 0.00 H new ATOM 0 HG13 ILE A 9 23.417 7.189 5.935 1.00 0.00 H new ATOM 0 HG21 ILE A 9 21.158 8.394 3.538 1.00 0.00 H new ATOM 0 HG22 ILE A 9 19.736 8.059 4.554 1.00 0.00 H new ATOM 0 HG23 ILE A 9 21.095 9.002 5.209 1.00 0.00 H new ATOM 0 HD11 ILE A 9 24.664 5.694 4.408 1.00 0.00 H new ATOM 0 HD12 ILE A 9 23.301 4.826 5.153 1.00 0.00 H new ATOM 0 HD13 ILE A 9 23.180 5.398 3.472 1.00 0.00 H new ATOM 101 N LEU A 10 18.710 7.203 6.272 1.00 0.00 N ATOM 102 CA LEU A 10 17.270 7.022 6.331 1.00 0.00 C ATOM 103 C LEU A 10 16.647 7.494 5.015 1.00 0.00 C ATOM 104 O LEU A 10 16.656 8.686 4.712 1.00 0.00 O ATOM 105 CB LEU A 10 16.693 7.715 7.567 1.00 0.00 C ATOM 106 CG LEU A 10 15.242 7.372 7.912 1.00 0.00 C ATOM 107 CD1 LEU A 10 14.286 7.880 6.830 1.00 0.00 C ATOM 108 CD2 LEU A 10 15.078 5.872 8.163 1.00 0.00 C ATOM 0 H LEU A 10 19.012 8.134 5.985 1.00 0.00 H new ATOM 0 HA LEU A 10 17.023 5.966 6.441 1.00 0.00 H new ATOM 0 HB2 LEU A 10 17.318 7.465 8.424 1.00 0.00 H new ATOM 0 HB3 LEU A 10 16.766 8.793 7.422 1.00 0.00 H new ATOM 0 HG LEU A 10 14.981 7.884 8.838 1.00 0.00 H new ATOM 0 HD11 LEU A 10 13.262 7.623 7.100 1.00 0.00 H new ATOM 0 HD12 LEU A 10 14.378 8.963 6.743 1.00 0.00 H new ATOM 0 HD13 LEU A 10 14.537 7.416 5.876 1.00 0.00 H new ATOM 0 HD21 LEU A 10 14.038 5.655 8.406 1.00 0.00 H new ATOM 0 HD22 LEU A 10 15.364 5.320 7.268 1.00 0.00 H new ATOM 0 HD23 LEU A 10 15.715 5.570 8.994 1.00 0.00 H new ATOM 120 N LYS A 11 16.122 6.533 4.268 1.00 0.00 N ATOM 121 CA LYS A 11 15.497 6.835 2.992 1.00 0.00 C ATOM 122 C LYS A 11 14.444 7.928 3.190 1.00 0.00 C ATOM 123 O LYS A 11 14.308 8.472 4.285 1.00 0.00 O ATOM 124 CB LYS A 11 14.947 5.560 2.350 1.00 0.00 C ATOM 125 CG LYS A 11 15.973 4.938 1.401 1.00 0.00 C ATOM 126 CD LYS A 11 15.447 3.630 0.805 1.00 0.00 C ATOM 127 CE LYS A 11 16.446 2.491 1.014 1.00 0.00 C ATOM 128 NZ LYS A 11 16.636 1.732 -0.242 1.00 0.00 N ATOM 0 H LYS A 11 16.117 5.545 4.522 1.00 0.00 H new ATOM 0 HA LYS A 11 16.234 7.226 2.290 1.00 0.00 H new ATOM 0 HB2 LYS A 11 14.683 4.842 3.127 1.00 0.00 H new ATOM 0 HB3 LYS A 11 14.032 5.789 1.803 1.00 0.00 H new ATOM 0 HG2 LYS A 11 16.205 5.640 0.600 1.00 0.00 H new ATOM 0 HG3 LYS A 11 16.903 4.749 1.938 1.00 0.00 H new ATOM 0 HD2 LYS A 11 14.494 3.372 1.268 1.00 0.00 H new ATOM 0 HD3 LYS A 11 15.258 3.762 -0.260 1.00 0.00 H new ATOM 0 HE2 LYS A 11 17.401 2.894 1.350 1.00 0.00 H new ATOM 0 HE3 LYS A 11 16.088 1.824 1.798 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 17.317 0.962 -0.083 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 15.726 1.331 -0.547 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 16.999 2.368 -0.981 1.00 0.00 H new ATOM 142 N GLU A 12 13.726 8.216 2.115 1.00 0.00 N ATOM 143 CA GLU A 12 12.690 9.233 2.157 1.00 0.00 C ATOM 144 C GLU A 12 11.309 8.580 2.257 1.00 0.00 C ATOM 145 O GLU A 12 10.404 9.128 2.884 1.00 0.00 O ATOM 146 CB GLU A 12 12.774 10.153 0.937 1.00 0.00 C ATOM 147 CG GLU A 12 14.214 10.609 0.694 1.00 0.00 C ATOM 148 CD GLU A 12 14.399 12.076 1.089 1.00 0.00 C ATOM 149 OE1 GLU A 12 13.613 12.904 0.580 1.00 0.00 O ATOM 150 OE2 GLU A 12 15.321 12.335 1.891 1.00 0.00 O ATOM 0 H GLU A 12 13.841 7.762 1.209 1.00 0.00 H new ATOM 0 HA GLU A 12 12.846 9.846 3.045 1.00 0.00 H new ATOM 0 HB2 GLU A 12 12.400 9.630 0.056 1.00 0.00 H new ATOM 0 HB3 GLU A 12 12.134 11.022 1.087 1.00 0.00 H new ATOM 0 HG2 GLU A 12 14.899 9.985 1.268 1.00 0.00 H new ATOM 0 HG3 GLU A 12 14.468 10.477 -0.358 1.00 0.00 H new ATOM 157 N GLU A 13 11.192 7.420 1.629 1.00 0.00 N ATOM 158 CA GLU A 13 9.937 6.687 1.639 1.00 0.00 C ATOM 159 C GLU A 13 9.719 6.027 3.003 1.00 0.00 C ATOM 160 O GLU A 13 8.587 5.723 3.375 1.00 0.00 O ATOM 161 CB GLU A 13 9.899 5.649 0.516 1.00 0.00 C ATOM 162 CG GLU A 13 10.957 4.565 0.734 1.00 0.00 C ATOM 163 CD GLU A 13 11.855 4.420 -0.496 1.00 0.00 C ATOM 164 OE1 GLU A 13 12.636 5.365 -0.744 1.00 0.00 O ATOM 165 OE2 GLU A 13 11.741 3.368 -1.161 1.00 0.00 O ATOM 0 H GLU A 13 11.945 6.969 1.110 1.00 0.00 H new ATOM 0 HA GLU A 13 9.125 7.393 1.464 1.00 0.00 H new ATOM 0 HB2 GLU A 13 8.910 5.193 0.471 1.00 0.00 H new ATOM 0 HB3 GLU A 13 10.068 6.139 -0.443 1.00 0.00 H new ATOM 0 HG2 GLU A 13 11.564 4.814 1.604 1.00 0.00 H new ATOM 0 HG3 GLU A 13 10.470 3.614 0.947 1.00 0.00 H new ATOM 172 N PHE A 14 10.821 5.826 3.710 1.00 0.00 N ATOM 173 CA PHE A 14 10.764 5.209 5.024 1.00 0.00 C ATOM 174 C PHE A 14 10.994 6.244 6.127 1.00 0.00 C ATOM 175 O PHE A 14 11.445 5.903 7.219 1.00 0.00 O ATOM 176 CB PHE A 14 11.883 4.167 5.077 1.00 0.00 C ATOM 177 CG PHE A 14 11.701 3.007 4.097 1.00 0.00 C ATOM 178 CD1 PHE A 14 10.891 1.963 4.421 1.00 0.00 C ATOM 179 CD2 PHE A 14 12.349 3.019 2.901 1.00 0.00 C ATOM 180 CE1 PHE A 14 10.722 0.886 3.511 1.00 0.00 C ATOM 181 CE2 PHE A 14 12.180 1.942 1.991 1.00 0.00 C ATOM 182 CZ PHE A 14 11.370 0.899 2.315 1.00 0.00 C ATOM 0 H PHE A 14 11.758 6.079 3.398 1.00 0.00 H new ATOM 0 HA PHE A 14 9.783 4.761 5.183 1.00 0.00 H new ATOM 0 HB2 PHE A 14 12.833 4.659 4.869 1.00 0.00 H new ATOM 0 HB3 PHE A 14 11.946 3.767 6.089 1.00 0.00 H new ATOM 0 HD1 PHE A 14 10.376 1.953 5.370 1.00 0.00 H new ATOM 0 HD2 PHE A 14 12.992 3.848 2.644 1.00 0.00 H new ATOM 0 HE1 PHE A 14 10.079 0.057 3.768 1.00 0.00 H new ATOM 0 HE2 PHE A 14 12.695 1.951 1.042 1.00 0.00 H new ATOM 0 HZ PHE A 14 11.241 0.080 1.622 1.00 0.00 H new ATOM 192 N ARG A 15 10.673 7.488 5.803 1.00 0.00 N ATOM 193 CA ARG A 15 10.839 8.575 6.753 1.00 0.00 C ATOM 194 C ARG A 15 9.476 9.146 7.149 1.00 0.00 C ATOM 195 O ARG A 15 9.355 9.821 8.170 1.00 0.00 O ATOM 196 CB ARG A 15 11.701 9.694 6.164 1.00 0.00 C ATOM 197 CG ARG A 15 10.930 10.478 5.100 1.00 0.00 C ATOM 198 CD ARG A 15 10.637 11.902 5.574 1.00 0.00 C ATOM 199 NE ARG A 15 9.315 12.341 5.072 1.00 0.00 N ATOM 200 CZ ARG A 15 8.741 13.509 5.389 1.00 0.00 C ATOM 201 NH1 ARG A 15 9.368 14.363 6.209 1.00 0.00 N ATOM 202 NH2 ARG A 15 7.539 13.823 4.887 1.00 0.00 N ATOM 0 H ARG A 15 10.299 7.767 4.896 1.00 0.00 H new ATOM 0 HA ARG A 15 11.338 8.172 7.634 1.00 0.00 H new ATOM 0 HB2 ARG A 15 12.020 10.369 6.958 1.00 0.00 H new ATOM 0 HB3 ARG A 15 12.604 9.270 5.725 1.00 0.00 H new ATOM 0 HG2 ARG A 15 11.508 10.510 4.176 1.00 0.00 H new ATOM 0 HG3 ARG A 15 9.995 9.967 4.873 1.00 0.00 H new ATOM 0 HD2 ARG A 15 10.653 11.942 6.663 1.00 0.00 H new ATOM 0 HD3 ARG A 15 11.413 12.579 5.219 1.00 0.00 H new ATOM 0 HE ARG A 15 8.810 11.715 4.445 1.00 0.00 H new ATOM 0 HH11 ARG A 15 10.283 14.124 6.592 1.00 0.00 H new ATOM 0 HH12 ARG A 15 8.931 15.252 6.450 1.00 0.00 H new ATOM 0 HH21 ARG A 15 7.061 13.173 4.263 1.00 0.00 H new ATOM 0 HH22 ARG A 15 7.102 14.712 5.128 1.00 0.00 H new ATOM 216 N GLY A 16 8.484 8.853 6.322 1.00 0.00 N ATOM 217 CA GLY A 16 7.134 9.328 6.573 1.00 0.00 C ATOM 218 C GLY A 16 6.574 8.731 7.866 1.00 0.00 C ATOM 219 O GLY A 16 7.331 8.374 8.768 1.00 0.00 O ATOM 0 H GLY A 16 8.588 8.292 5.477 1.00 0.00 H new ATOM 0 HA2 GLY A 16 7.134 10.416 6.641 1.00 0.00 H new ATOM 0 HA3 GLY A 16 6.489 9.061 5.736 1.00 0.00 H new ATOM 223 N VAL A 17 5.253 8.641 7.915 1.00 0.00 N ATOM 224 CA VAL A 17 4.584 8.093 9.083 1.00 0.00 C ATOM 225 C VAL A 17 3.668 6.947 8.649 1.00 0.00 C ATOM 226 O VAL A 17 3.414 6.767 7.459 1.00 0.00 O ATOM 227 CB VAL A 17 3.841 9.203 9.829 1.00 0.00 C ATOM 228 CG1 VAL A 17 2.592 9.639 9.059 1.00 0.00 C ATOM 229 CG2 VAL A 17 3.483 8.764 11.250 1.00 0.00 C ATOM 0 H VAL A 17 4.628 8.938 7.165 1.00 0.00 H new ATOM 0 HA VAL A 17 5.312 7.681 9.782 1.00 0.00 H new ATOM 0 HB VAL A 17 4.508 10.062 9.902 1.00 0.00 H new ATOM 0 HG11 VAL A 17 2.082 10.429 9.610 1.00 0.00 H new ATOM 0 HG12 VAL A 17 2.882 10.011 8.076 1.00 0.00 H new ATOM 0 HG13 VAL A 17 1.922 8.788 8.941 1.00 0.00 H new ATOM 0 HG21 VAL A 17 2.956 9.571 11.758 1.00 0.00 H new ATOM 0 HG22 VAL A 17 2.843 7.882 11.208 1.00 0.00 H new ATOM 0 HG23 VAL A 17 4.395 8.525 11.798 1.00 0.00 H new ATOM 239 N ILE A 18 3.196 6.202 9.638 1.00 0.00 N ATOM 240 CA ILE A 18 2.314 5.078 9.373 1.00 0.00 C ATOM 241 C ILE A 18 0.888 5.445 9.791 1.00 0.00 C ATOM 242 O ILE A 18 0.677 6.442 10.481 1.00 0.00 O ATOM 243 CB ILE A 18 2.845 3.810 10.044 1.00 0.00 C ATOM 244 CG1 ILE A 18 4.175 3.378 9.425 1.00 0.00 C ATOM 245 CG2 ILE A 18 1.803 2.691 10.003 1.00 0.00 C ATOM 246 CD1 ILE A 18 5.008 2.572 10.424 1.00 0.00 C ATOM 0 H ILE A 18 3.408 6.355 10.624 1.00 0.00 H new ATOM 0 HA ILE A 18 2.287 4.858 8.306 1.00 0.00 H new ATOM 0 HB ILE A 18 3.036 4.033 11.094 1.00 0.00 H new ATOM 0 HG12 ILE A 18 3.988 2.778 8.534 1.00 0.00 H new ATOM 0 HG13 ILE A 18 4.734 4.257 9.105 1.00 0.00 H new ATOM 0 HG21 ILE A 18 2.206 1.801 10.487 1.00 0.00 H new ATOM 0 HG22 ILE A 18 0.903 3.013 10.527 1.00 0.00 H new ATOM 0 HG23 ILE A 18 1.557 2.461 8.966 1.00 0.00 H new ATOM 0 HD11 ILE A 18 5.949 2.277 9.959 1.00 0.00 H new ATOM 0 HD12 ILE A 18 5.214 3.183 11.303 1.00 0.00 H new ATOM 0 HD13 ILE A 18 4.456 1.681 10.723 1.00 0.00 H new ATOM 258 N ILE A 19 -0.053 4.620 9.357 1.00 0.00 N ATOM 259 CA ILE A 19 -1.452 4.845 9.678 1.00 0.00 C ATOM 260 C ILE A 19 -2.095 3.521 10.094 1.00 0.00 C ATOM 261 O ILE A 19 -2.844 3.469 11.068 1.00 0.00 O ATOM 262 CB ILE A 19 -2.164 5.536 8.513 1.00 0.00 C ATOM 263 CG1 ILE A 19 -1.683 4.982 7.170 1.00 0.00 C ATOM 264 CG2 ILE A 19 -2.007 7.055 8.597 1.00 0.00 C ATOM 265 CD1 ILE A 19 -0.465 5.758 6.663 1.00 0.00 C ATOM 0 H ILE A 19 0.126 3.794 8.785 1.00 0.00 H new ATOM 0 HA ILE A 19 -1.544 5.524 10.526 1.00 0.00 H new ATOM 0 HB ILE A 19 -3.230 5.319 8.587 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -1.428 3.928 7.277 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -2.488 5.043 6.438 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -2.522 7.521 7.757 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -2.438 7.414 9.532 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -0.949 7.314 8.562 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -0.142 5.345 5.707 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -0.730 6.807 6.534 1.00 0.00 H new ATOM 0 HD13 ILE A 19 0.346 5.675 7.386 1.00 0.00 H new ATOM 277 N LYS A 20 -1.778 2.482 9.335 1.00 0.00 N ATOM 278 CA LYS A 20 -2.316 1.161 9.612 1.00 0.00 C ATOM 279 C LYS A 20 -1.228 0.112 9.372 1.00 0.00 C ATOM 280 O LYS A 20 -0.334 0.316 8.553 1.00 0.00 O ATOM 281 CB LYS A 20 -3.591 0.920 8.802 1.00 0.00 C ATOM 282 CG LYS A 20 -4.508 -0.081 9.508 1.00 0.00 C ATOM 283 CD LYS A 20 -5.312 -0.898 8.494 1.00 0.00 C ATOM 284 CE LYS A 20 -6.379 -1.742 9.193 1.00 0.00 C ATOM 285 NZ LYS A 20 -7.231 -0.892 10.055 1.00 0.00 N ATOM 0 H LYS A 20 -1.155 2.528 8.528 1.00 0.00 H new ATOM 0 HA LYS A 20 -2.612 1.082 10.658 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -4.118 1.863 8.658 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -3.332 0.545 7.812 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -3.912 -0.750 10.129 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -5.188 0.450 10.174 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -5.786 -0.229 7.776 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -4.641 -1.547 7.931 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -6.995 -2.249 8.450 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -5.902 -2.517 9.794 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -8.165 -1.336 10.165 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -6.785 -0.787 10.989 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -7.342 0.045 9.617 1.00 0.00 H new ATOM 299 N GLN A 21 -1.341 -0.988 10.102 1.00 0.00 N ATOM 300 CA GLN A 21 -0.378 -2.070 9.979 1.00 0.00 C ATOM 301 C GLN A 21 -1.044 -3.411 10.290 1.00 0.00 C ATOM 302 O GLN A 21 -2.051 -3.460 10.996 1.00 0.00 O ATOM 303 CB GLN A 21 0.831 -1.834 10.887 1.00 0.00 C ATOM 304 CG GLN A 21 1.751 -0.758 10.307 1.00 0.00 C ATOM 305 CD GLN A 21 2.924 -0.474 11.247 1.00 0.00 C ATOM 306 OE1 GLN A 21 2.918 0.470 12.020 1.00 0.00 O ATOM 307 NE2 GLN A 21 3.926 -1.341 11.139 1.00 0.00 N ATOM 0 H GLN A 21 -2.084 -1.154 10.781 1.00 0.00 H new ATOM 0 HA GLN A 21 -0.019 -2.095 8.950 1.00 0.00 H new ATOM 0 HB2 GLN A 21 0.492 -1.532 11.878 1.00 0.00 H new ATOM 0 HB3 GLN A 21 1.386 -2.764 11.009 1.00 0.00 H new ATOM 0 HG2 GLN A 21 2.128 -1.081 9.337 1.00 0.00 H new ATOM 0 HG3 GLN A 21 1.185 0.158 10.140 1.00 0.00 H new ATOM 0 HE21 GLN A 21 3.866 -2.109 10.471 1.00 0.00 H new ATOM 0 HE22 GLN A 21 4.755 -1.238 11.724 1.00 0.00 H new ATOM 316 N GLY A 22 -0.456 -4.468 9.749 1.00 0.00 N ATOM 317 CA GLY A 22 -0.980 -5.807 9.960 1.00 0.00 C ATOM 318 C GLY A 22 -0.512 -6.759 8.857 1.00 0.00 C ATOM 319 O GLY A 22 0.370 -6.418 8.070 1.00 0.00 O ATOM 0 H GLY A 22 0.379 -4.424 9.165 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -0.653 -6.180 10.930 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -2.069 -5.776 9.981 1.00 0.00 H new ATOM 323 N CYS A 23 -1.124 -7.934 8.835 1.00 0.00 N ATOM 324 CA CYS A 23 -0.781 -8.937 7.842 1.00 0.00 C ATOM 325 C CYS A 23 -2.033 -9.246 7.019 1.00 0.00 C ATOM 326 O CYS A 23 -3.125 -9.379 7.569 1.00 0.00 O ATOM 327 CB CYS A 23 -0.198 -10.196 8.488 1.00 0.00 C ATOM 328 SG CYS A 23 -1.293 -10.772 9.836 1.00 0.00 S ATOM 0 H CYS A 23 -1.855 -8.214 9.489 1.00 0.00 H new ATOM 0 HA CYS A 23 -0.002 -8.551 7.185 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -0.086 -10.980 7.739 1.00 0.00 H new ATOM 0 HB3 CYS A 23 0.797 -9.986 8.881 1.00 0.00 H new ATOM 0 HG CYS A 23 -2.518 -10.422 9.579 1.00 0.00 H new ATOM 334 N LEU A 24 -1.833 -9.350 5.713 1.00 0.00 N ATOM 335 CA LEU A 24 -2.933 -9.640 4.809 1.00 0.00 C ATOM 336 C LEU A 24 -2.572 -10.852 3.947 1.00 0.00 C ATOM 337 O LEU A 24 -1.462 -11.373 4.036 1.00 0.00 O ATOM 338 CB LEU A 24 -3.301 -8.396 3.997 1.00 0.00 C ATOM 339 CG LEU A 24 -3.942 -7.249 4.782 1.00 0.00 C ATOM 340 CD1 LEU A 24 -3.940 -5.957 3.963 1.00 0.00 C ATOM 341 CD2 LEU A 24 -5.347 -7.626 5.255 1.00 0.00 C ATOM 0 H LEU A 24 -0.926 -9.239 5.260 1.00 0.00 H new ATOM 0 HA LEU A 24 -3.829 -9.903 5.371 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -2.398 -8.020 3.515 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -3.986 -8.694 3.203 1.00 0.00 H new ATOM 0 HG LEU A 24 -3.341 -7.067 5.673 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -4.401 -5.158 4.543 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -2.914 -5.683 3.719 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -4.504 -6.109 3.043 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -5.780 -6.794 5.810 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -5.973 -7.851 4.392 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -5.291 -8.502 5.901 1.00 0.00 H new ATOM 353 N LEU A 25 -3.531 -11.264 3.132 1.00 0.00 N ATOM 354 CA LEU A 25 -3.329 -12.405 2.254 1.00 0.00 C ATOM 355 C LEU A 25 -3.238 -11.919 0.806 1.00 0.00 C ATOM 356 O LEU A 25 -4.258 -11.667 0.167 1.00 0.00 O ATOM 357 CB LEU A 25 -4.417 -13.456 2.483 1.00 0.00 C ATOM 358 CG LEU A 25 -4.690 -13.833 3.941 1.00 0.00 C ATOM 359 CD1 LEU A 25 -3.464 -14.494 4.575 1.00 0.00 C ATOM 360 CD2 LEU A 25 -5.165 -12.619 4.741 1.00 0.00 C ATOM 0 H LEU A 25 -4.451 -10.829 3.061 1.00 0.00 H new ATOM 0 HA LEU A 25 -2.386 -12.901 2.484 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -5.345 -13.091 2.043 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -4.141 -14.360 1.940 1.00 0.00 H new ATOM 0 HG LEU A 25 -5.496 -14.566 3.959 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -3.685 -14.752 5.611 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -3.211 -15.398 4.022 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -2.622 -13.803 4.545 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -5.352 -12.914 5.774 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -4.398 -11.845 4.718 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -6.084 -12.231 4.302 1.00 0.00 H new ATOM 372 N LYS A 26 -2.006 -11.804 0.331 1.00 0.00 N ATOM 373 CA LYS A 26 -1.769 -11.353 -1.030 1.00 0.00 C ATOM 374 C LYS A 26 -1.904 -12.539 -1.986 1.00 0.00 C ATOM 375 O LYS A 26 -1.243 -13.562 -1.809 1.00 0.00 O ATOM 376 CB LYS A 26 -0.422 -10.633 -1.128 1.00 0.00 C ATOM 377 CG LYS A 26 -0.268 -9.943 -2.485 1.00 0.00 C ATOM 378 CD LYS A 26 1.199 -9.611 -2.767 1.00 0.00 C ATOM 379 CE LYS A 26 1.514 -9.745 -4.258 1.00 0.00 C ATOM 380 NZ LYS A 26 2.235 -11.009 -4.525 1.00 0.00 N ATOM 0 H LYS A 26 -1.162 -12.015 0.864 1.00 0.00 H new ATOM 0 HA LYS A 26 -2.519 -10.619 -1.325 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -0.341 -9.896 -0.329 1.00 0.00 H new ATOM 0 HB3 LYS A 26 0.388 -11.348 -0.985 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -0.656 -10.590 -3.272 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -0.861 -9.029 -2.502 1.00 0.00 H new ATOM 0 HD2 LYS A 26 1.416 -8.596 -2.436 1.00 0.00 H new ATOM 0 HD3 LYS A 26 1.843 -10.278 -2.194 1.00 0.00 H new ATOM 0 HE2 LYS A 26 0.589 -9.718 -4.835 1.00 0.00 H new ATOM 0 HE3 LYS A 26 2.118 -8.899 -4.585 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 2.441 -11.083 -5.542 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 3.127 -11.020 -3.990 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 1.645 -11.814 -4.231 1.00 0.00 H new ATOM 394 N GLN A 27 -2.763 -12.363 -2.979 1.00 0.00 N ATOM 395 CA GLN A 27 -2.993 -13.407 -3.963 1.00 0.00 C ATOM 396 C GLN A 27 -2.005 -13.269 -5.123 1.00 0.00 C ATOM 397 O GLN A 27 -1.587 -12.162 -5.459 1.00 0.00 O ATOM 398 CB GLN A 27 -4.438 -13.377 -4.467 1.00 0.00 C ATOM 399 CG GLN A 27 -5.261 -14.503 -3.838 1.00 0.00 C ATOM 400 CD GLN A 27 -6.514 -14.795 -4.667 1.00 0.00 C ATOM 401 OE1 GLN A 27 -6.843 -14.094 -5.609 1.00 0.00 O ATOM 402 NE2 GLN A 27 -7.191 -15.866 -4.265 1.00 0.00 N ATOM 0 H GLN A 27 -3.308 -11.513 -3.123 1.00 0.00 H new ATOM 0 HA GLN A 27 -2.830 -14.373 -3.485 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -4.890 -12.414 -4.229 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -4.451 -13.475 -5.553 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -4.653 -15.404 -3.762 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -5.548 -14.226 -2.824 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -6.860 -16.409 -3.468 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -8.042 -16.145 -4.754 1.00 0.00 H new ATOM 411 N GLY A 28 -1.661 -14.409 -5.704 1.00 0.00 N ATOM 412 CA GLY A 28 -0.730 -14.429 -6.820 1.00 0.00 C ATOM 413 C GLY A 28 -1.475 -14.501 -8.154 1.00 0.00 C ATOM 414 O GLY A 28 -2.537 -13.901 -8.310 1.00 0.00 O ATOM 0 H GLY A 28 -2.010 -15.325 -5.423 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -0.107 -13.535 -6.795 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -0.062 -15.285 -6.726 1.00 0.00 H new ATOM 418 N HIS A 29 -0.888 -15.241 -9.084 1.00 0.00 N ATOM 419 CA HIS A 29 -1.482 -15.399 -10.400 1.00 0.00 C ATOM 420 C HIS A 29 -1.941 -16.847 -10.585 1.00 0.00 C ATOM 421 O HIS A 29 -2.971 -17.101 -11.208 1.00 0.00 O ATOM 422 CB HIS A 29 -0.514 -14.939 -11.492 1.00 0.00 C ATOM 423 CG HIS A 29 0.433 -16.016 -11.967 1.00 0.00 C ATOM 424 ND1 HIS A 29 0.365 -16.568 -13.234 1.00 0.00 N ATOM 425 CD2 HIS A 29 1.469 -16.634 -11.331 1.00 0.00 C ATOM 426 CE1 HIS A 29 1.322 -17.478 -13.345 1.00 0.00 C ATOM 427 NE2 HIS A 29 2.005 -17.517 -12.164 1.00 0.00 N ATOM 0 H HIS A 29 -0.007 -15.738 -8.951 1.00 0.00 H new ATOM 0 HA HIS A 29 -2.362 -14.762 -10.485 1.00 0.00 H new ATOM 0 HB2 HIS A 29 -1.089 -14.574 -12.343 1.00 0.00 H new ATOM 0 HB3 HIS A 29 0.068 -14.097 -11.116 1.00 0.00 H new ATOM 0 HD2 HIS A 29 1.797 -16.438 -10.321 1.00 0.00 H new ATOM 0 HE1 HIS A 29 1.526 -18.082 -14.217 1.00 0.00 H new ATOM 0 HE2 HIS A 29 2.797 -18.125 -11.956 1.00 0.00 H new ATOM 435 N ARG A 30 -1.154 -17.758 -10.033 1.00 0.00 N ATOM 436 CA ARG A 30 -1.466 -19.174 -10.129 1.00 0.00 C ATOM 437 C ARG A 30 -2.766 -19.483 -9.383 1.00 0.00 C ATOM 438 O ARG A 30 -3.537 -20.344 -9.803 1.00 0.00 O ATOM 439 CB ARG A 30 -0.337 -20.028 -9.548 1.00 0.00 C ATOM 440 CG ARG A 30 0.622 -20.490 -10.647 1.00 0.00 C ATOM 441 CD ARG A 30 0.785 -22.011 -10.627 1.00 0.00 C ATOM 442 NE ARG A 30 1.908 -22.388 -9.740 1.00 0.00 N ATOM 443 CZ ARG A 30 2.234 -23.652 -9.436 1.00 0.00 C ATOM 444 NH1 ARG A 30 1.525 -24.668 -9.945 1.00 0.00 N ATOM 445 NH2 ARG A 30 3.269 -23.899 -8.621 1.00 0.00 N ATOM 0 H ARG A 30 -0.300 -17.543 -9.517 1.00 0.00 H new ATOM 0 HA ARG A 30 -1.583 -19.417 -11.185 1.00 0.00 H new ATOM 0 HB2 ARG A 30 0.210 -19.454 -8.800 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -0.757 -20.895 -9.039 1.00 0.00 H new ATOM 0 HG2 ARG A 30 0.246 -20.174 -11.620 1.00 0.00 H new ATOM 0 HG3 ARG A 30 1.593 -20.015 -10.511 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -0.136 -22.479 -10.280 1.00 0.00 H new ATOM 0 HD3 ARG A 30 0.969 -22.379 -11.637 1.00 0.00 H new ATOM 0 HE ARG A 30 2.469 -21.639 -9.335 1.00 0.00 H new ATOM 0 HH11 ARG A 30 0.737 -24.480 -10.564 1.00 0.00 H new ATOM 0 HH12 ARG A 30 1.773 -25.630 -9.713 1.00 0.00 H new ATOM 0 HH21 ARG A 30 3.808 -23.125 -8.232 1.00 0.00 H new ATOM 0 HH22 ARG A 30 3.517 -24.861 -8.389 1.00 0.00 H new ATOM 459 N ARG A 31 -2.968 -18.763 -8.289 1.00 0.00 N ATOM 460 CA ARG A 31 -4.161 -18.950 -7.481 1.00 0.00 C ATOM 461 C ARG A 31 -4.305 -20.419 -7.079 1.00 0.00 C ATOM 462 O ARG A 31 -4.792 -21.235 -7.860 1.00 0.00 O ATOM 463 CB ARG A 31 -5.414 -18.510 -8.239 1.00 0.00 C ATOM 464 CG ARG A 31 -5.795 -17.072 -7.883 1.00 0.00 C ATOM 465 CD ARG A 31 -6.125 -16.264 -9.139 1.00 0.00 C ATOM 466 NE ARG A 31 -5.904 -14.822 -8.887 1.00 0.00 N ATOM 467 CZ ARG A 31 -5.871 -13.888 -9.847 1.00 0.00 C ATOM 468 NH1 ARG A 31 -6.043 -14.238 -11.129 1.00 0.00 N ATOM 469 NH2 ARG A 31 -5.665 -12.604 -9.526 1.00 0.00 N ATOM 0 H ARG A 31 -2.326 -18.050 -7.944 1.00 0.00 H new ATOM 0 HA ARG A 31 -4.056 -18.334 -6.588 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -5.240 -18.589 -9.312 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -6.241 -19.179 -8.000 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -6.654 -17.075 -7.213 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -4.974 -16.597 -7.346 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -5.501 -16.596 -9.969 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -7.161 -16.436 -9.430 1.00 0.00 H new ATOM 0 HE ARG A 31 -5.768 -14.521 -7.922 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -6.199 -15.216 -11.374 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -6.018 -13.527 -11.860 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -5.533 -12.337 -8.550 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -5.640 -11.893 -10.257 1.00 0.00 H new ATOM 483 N LYS A 32 -3.873 -20.712 -5.861 1.00 0.00 N ATOM 484 CA LYS A 32 -3.948 -22.068 -5.346 1.00 0.00 C ATOM 485 C LYS A 32 -4.271 -22.024 -3.851 1.00 0.00 C ATOM 486 O LYS A 32 -5.252 -22.619 -3.406 1.00 0.00 O ATOM 487 CB LYS A 32 -2.668 -22.838 -5.676 1.00 0.00 C ATOM 488 CG LYS A 32 -2.944 -24.339 -5.784 1.00 0.00 C ATOM 489 CD LYS A 32 -2.635 -25.050 -4.465 1.00 0.00 C ATOM 490 CE LYS A 32 -1.654 -26.204 -4.682 1.00 0.00 C ATOM 491 NZ LYS A 32 -2.142 -27.432 -4.014 1.00 0.00 N ATOM 0 H LYS A 32 -3.470 -20.033 -5.216 1.00 0.00 H new ATOM 0 HA LYS A 32 -4.756 -22.616 -5.831 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -2.251 -22.473 -6.615 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -1.921 -22.657 -4.903 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -3.988 -24.502 -6.053 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -2.338 -24.767 -6.583 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -2.214 -24.339 -3.754 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -3.558 -25.430 -4.027 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -1.530 -26.388 -5.749 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -0.674 -25.934 -4.289 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -1.465 -28.205 -4.171 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -2.237 -27.257 -2.993 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -3.067 -27.697 -4.408 1.00 0.00 H new ATOM 505 N ASN A 33 -3.428 -21.314 -3.116 1.00 0.00 N ATOM 506 CA ASN A 33 -3.611 -21.185 -1.681 1.00 0.00 C ATOM 507 C ASN A 33 -3.174 -19.787 -1.239 1.00 0.00 C ATOM 508 O ASN A 33 -2.063 -19.355 -1.541 1.00 0.00 O ATOM 509 CB ASN A 33 -2.762 -22.207 -0.923 1.00 0.00 C ATOM 510 CG ASN A 33 -3.324 -23.620 -1.091 1.00 0.00 C ATOM 511 OD1 ASN A 33 -2.411 -24.531 -1.415 1.00 0.00 O flip ATOM 512 ND2 ASN A 33 -4.509 -23.866 -0.937 1.00 0.00 N flip ATOM 0 H ASN A 33 -2.616 -20.822 -3.488 1.00 0.00 H new ATOM 0 HA ASN A 33 -4.664 -21.356 -1.459 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -1.735 -22.174 -1.288 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -2.732 -21.947 0.135 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -5.157 -23.119 -0.688 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -4.852 -24.819 -1.057 1.00 0.00 H new ATOM 519 N TRP A 34 -4.072 -19.117 -0.531 1.00 0.00 N ATOM 520 CA TRP A 34 -3.794 -17.776 -0.045 1.00 0.00 C ATOM 521 C TRP A 34 -2.527 -17.838 0.812 1.00 0.00 C ATOM 522 O TRP A 34 -2.307 -18.811 1.531 1.00 0.00 O ATOM 523 CB TRP A 34 -4.997 -17.205 0.707 1.00 0.00 C ATOM 524 CG TRP A 34 -6.207 -16.914 -0.183 1.00 0.00 C ATOM 525 CD1 TRP A 34 -7.044 -17.792 -0.751 1.00 0.00 C ATOM 526 CD2 TRP A 34 -6.683 -15.613 -0.588 1.00 0.00 C ATOM 527 NE1 TRP A 34 -8.021 -17.156 -1.489 1.00 0.00 N ATOM 528 CE2 TRP A 34 -7.795 -15.788 -1.386 1.00 0.00 C ATOM 529 CE3 TRP A 34 -6.191 -14.330 -0.289 1.00 0.00 C ATOM 530 CZ2 TRP A 34 -8.508 -14.725 -1.952 1.00 0.00 C ATOM 531 CZ3 TRP A 34 -6.915 -13.278 -0.862 1.00 0.00 C ATOM 532 CH2 TRP A 34 -8.036 -13.438 -1.668 1.00 0.00 C ATOM 0 H TRP A 34 -4.993 -19.478 -0.282 1.00 0.00 H new ATOM 0 HA TRP A 34 -3.620 -17.092 -0.876 1.00 0.00 H new ATOM 0 HB2 TRP A 34 -5.293 -17.908 1.486 1.00 0.00 H new ATOM 0 HB3 TRP A 34 -4.696 -16.284 1.206 1.00 0.00 H new ATOM 0 HD1 TRP A 34 -6.964 -18.864 -0.645 1.00 0.00 H new ATOM 0 HE1 TRP A 34 -8.771 -17.606 -2.014 1.00 0.00 H new ATOM 0 HE3 TRP A 34 -5.323 -14.169 0.333 1.00 0.00 H new ATOM 0 HZ2 TRP A 34 -9.375 -14.889 -2.574 1.00 0.00 H new ATOM 0 HZ3 TRP A 34 -6.579 -12.271 -0.664 1.00 0.00 H new ATOM 0 HH2 TRP A 34 -8.541 -12.573 -2.073 1.00 0.00 H new ATOM 543 N LYS A 35 -1.729 -16.786 0.707 1.00 0.00 N ATOM 544 CA LYS A 35 -0.490 -16.709 1.463 1.00 0.00 C ATOM 545 C LYS A 35 -0.507 -15.450 2.333 1.00 0.00 C ATOM 546 O LYS A 35 -0.833 -14.365 1.855 1.00 0.00 O ATOM 547 CB LYS A 35 0.716 -16.792 0.526 1.00 0.00 C ATOM 548 CG LYS A 35 1.405 -18.153 0.638 1.00 0.00 C ATOM 549 CD LYS A 35 2.010 -18.574 -0.702 1.00 0.00 C ATOM 550 CE LYS A 35 1.575 -19.991 -1.080 1.00 0.00 C ATOM 551 NZ LYS A 35 2.695 -20.942 -0.903 1.00 0.00 N ATOM 0 H LYS A 35 -1.916 -15.980 0.110 1.00 0.00 H new ATOM 0 HA LYS A 35 -0.401 -17.562 2.136 1.00 0.00 H new ATOM 0 HB2 LYS A 35 0.394 -16.627 -0.502 1.00 0.00 H new ATOM 0 HB3 LYS A 35 1.425 -16.000 0.769 1.00 0.00 H new ATOM 0 HG2 LYS A 35 2.187 -18.107 1.396 1.00 0.00 H new ATOM 0 HG3 LYS A 35 0.686 -18.903 0.968 1.00 0.00 H new ATOM 0 HD2 LYS A 35 1.701 -17.876 -1.480 1.00 0.00 H new ATOM 0 HD3 LYS A 35 3.097 -18.527 -0.645 1.00 0.00 H new ATOM 0 HE2 LYS A 35 0.731 -20.296 -0.462 1.00 0.00 H new ATOM 0 HE3 LYS A 35 1.235 -20.009 -2.115 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 2.382 -21.899 -1.164 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 3.490 -20.659 -1.511 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 3.001 -20.937 0.091 1.00 0.00 H new ATOM 565 N VAL A 36 -0.153 -15.638 3.596 1.00 0.00 N ATOM 566 CA VAL A 36 -0.123 -14.532 4.538 1.00 0.00 C ATOM 567 C VAL A 36 1.107 -13.665 4.261 1.00 0.00 C ATOM 568 O VAL A 36 2.156 -14.176 3.873 1.00 0.00 O ATOM 569 CB VAL A 36 -0.170 -15.063 5.972 1.00 0.00 C ATOM 570 CG1 VAL A 36 0.204 -13.970 6.974 1.00 0.00 C ATOM 571 CG2 VAL A 36 -1.543 -15.655 6.293 1.00 0.00 C ATOM 0 H VAL A 36 0.116 -16.540 3.989 1.00 0.00 H new ATOM 0 HA VAL A 36 -1.002 -13.900 4.412 1.00 0.00 H new ATOM 0 HB VAL A 36 0.567 -15.862 6.057 1.00 0.00 H new ATOM 0 HG11 VAL A 36 0.163 -14.374 7.985 1.00 0.00 H new ATOM 0 HG12 VAL A 36 1.214 -13.616 6.766 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -0.497 -13.140 6.886 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -1.549 -16.025 7.318 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -2.306 -14.885 6.181 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -1.754 -16.477 5.609 1.00 0.00 H new ATOM 581 N ARG A 37 0.937 -12.368 4.471 1.00 0.00 N ATOM 582 CA ARG A 37 2.020 -11.425 4.249 1.00 0.00 C ATOM 583 C ARG A 37 1.779 -10.142 5.047 1.00 0.00 C ATOM 584 O ARG A 37 0.634 -9.765 5.291 1.00 0.00 O ATOM 585 CB ARG A 37 2.152 -11.078 2.765 1.00 0.00 C ATOM 586 CG ARG A 37 3.030 -12.100 2.039 1.00 0.00 C ATOM 587 CD ARG A 37 3.383 -11.617 0.631 1.00 0.00 C ATOM 588 NE ARG A 37 4.322 -12.565 -0.009 1.00 0.00 N ATOM 589 CZ ARG A 37 4.943 -12.337 -1.174 1.00 0.00 C ATOM 590 NH1 ARG A 37 4.728 -11.191 -1.835 1.00 0.00 N ATOM 591 NH2 ARG A 37 5.779 -13.255 -1.679 1.00 0.00 N ATOM 0 H ARG A 37 0.065 -11.948 4.793 1.00 0.00 H new ATOM 0 HA ARG A 37 2.944 -11.896 4.584 1.00 0.00 H new ATOM 0 HB2 ARG A 37 1.164 -11.050 2.305 1.00 0.00 H new ATOM 0 HB3 ARG A 37 2.582 -10.082 2.658 1.00 0.00 H new ATOM 0 HG2 ARG A 37 3.944 -12.270 2.609 1.00 0.00 H new ATOM 0 HG3 ARG A 37 2.509 -13.056 1.980 1.00 0.00 H new ATOM 0 HD2 ARG A 37 2.478 -11.528 0.031 1.00 0.00 H new ATOM 0 HD3 ARG A 37 3.832 -10.625 0.680 1.00 0.00 H new ATOM 0 HE ARG A 37 4.508 -13.448 0.467 1.00 0.00 H new ATOM 0 HH11 ARG A 37 4.092 -10.492 -1.451 1.00 0.00 H new ATOM 0 HH12 ARG A 37 5.201 -11.017 -2.722 1.00 0.00 H new ATOM 0 HH21 ARG A 37 5.942 -14.127 -1.176 1.00 0.00 H new ATOM 0 HH22 ARG A 37 6.252 -13.081 -2.566 1.00 0.00 H new ATOM 605 N LYS A 38 2.876 -9.507 5.430 1.00 0.00 N ATOM 606 CA LYS A 38 2.798 -8.274 6.195 1.00 0.00 C ATOM 607 C LYS A 38 2.566 -7.100 5.241 1.00 0.00 C ATOM 608 O LYS A 38 3.102 -7.080 4.134 1.00 0.00 O ATOM 609 CB LYS A 38 4.037 -8.112 7.078 1.00 0.00 C ATOM 610 CG LYS A 38 3.978 -6.804 7.871 1.00 0.00 C ATOM 611 CD LYS A 38 4.341 -7.037 9.339 1.00 0.00 C ATOM 612 CE LYS A 38 4.569 -5.709 10.064 1.00 0.00 C ATOM 613 NZ LYS A 38 6.016 -5.468 10.261 1.00 0.00 N ATOM 0 H LYS A 38 3.824 -9.823 5.225 1.00 0.00 H new ATOM 0 HA LYS A 38 1.949 -8.303 6.878 1.00 0.00 H new ATOM 0 HB2 LYS A 38 4.111 -8.955 7.765 1.00 0.00 H new ATOM 0 HB3 LYS A 38 4.934 -8.126 6.459 1.00 0.00 H new ATOM 0 HG2 LYS A 38 4.664 -6.078 7.434 1.00 0.00 H new ATOM 0 HG3 LYS A 38 2.977 -6.378 7.803 1.00 0.00 H new ATOM 0 HD2 LYS A 38 3.542 -7.592 9.831 1.00 0.00 H new ATOM 0 HD3 LYS A 38 5.241 -7.649 9.402 1.00 0.00 H new ATOM 0 HE2 LYS A 38 4.134 -4.893 9.487 1.00 0.00 H new ATOM 0 HE3 LYS A 38 4.062 -5.723 11.029 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 6.149 -4.646 10.884 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 6.451 -6.306 10.696 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 6.465 -5.282 9.342 1.00 0.00 H new ATOM 627 N PHE A 39 1.766 -6.151 5.705 1.00 0.00 N ATOM 628 CA PHE A 39 1.456 -4.978 4.906 1.00 0.00 C ATOM 629 C PHE A 39 1.408 -3.720 5.776 1.00 0.00 C ATOM 630 O PHE A 39 0.593 -3.626 6.693 1.00 0.00 O ATOM 631 CB PHE A 39 0.076 -5.209 4.288 1.00 0.00 C ATOM 632 CG PHE A 39 0.115 -5.866 2.907 1.00 0.00 C ATOM 633 CD1 PHE A 39 0.383 -5.117 1.804 1.00 0.00 C ATOM 634 CD2 PHE A 39 -0.118 -7.200 2.782 1.00 0.00 C ATOM 635 CE1 PHE A 39 0.419 -5.727 0.523 1.00 0.00 C ATOM 636 CE2 PHE A 39 -0.082 -7.811 1.500 1.00 0.00 C ATOM 637 CZ PHE A 39 0.186 -7.061 0.398 1.00 0.00 C ATOM 0 H PHE A 39 1.323 -6.171 6.624 1.00 0.00 H new ATOM 0 HA PHE A 39 2.223 -4.833 4.145 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -0.512 -5.834 4.960 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -0.440 -4.252 4.210 1.00 0.00 H new ATOM 0 HD1 PHE A 39 0.568 -4.058 1.903 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -0.331 -7.795 3.658 1.00 0.00 H new ATOM 0 HE1 PHE A 39 0.631 -5.132 -0.353 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -0.267 -8.870 1.401 1.00 0.00 H new ATOM 0 HZ PHE A 39 0.214 -7.525 -0.577 1.00 0.00 H new ATOM 647 N ILE A 40 2.291 -2.785 5.458 1.00 0.00 N ATOM 648 CA ILE A 40 2.359 -1.537 6.199 1.00 0.00 C ATOM 649 C ILE A 40 2.006 -0.376 5.268 1.00 0.00 C ATOM 650 O ILE A 40 2.531 -0.282 4.160 1.00 0.00 O ATOM 651 CB ILE A 40 3.724 -1.389 6.875 1.00 0.00 C ATOM 652 CG1 ILE A 40 4.001 -2.566 7.813 1.00 0.00 C ATOM 653 CG2 ILE A 40 3.836 -0.044 7.595 1.00 0.00 C ATOM 654 CD1 ILE A 40 5.459 -2.564 8.279 1.00 0.00 C ATOM 0 H ILE A 40 2.965 -2.867 4.697 1.00 0.00 H new ATOM 0 HA ILE A 40 1.627 -1.533 7.006 1.00 0.00 H new ATOM 0 HB ILE A 40 4.492 -1.405 6.102 1.00 0.00 H new ATOM 0 HG12 ILE A 40 3.339 -2.511 8.677 1.00 0.00 H new ATOM 0 HG13 ILE A 40 3.780 -3.503 7.302 1.00 0.00 H new ATOM 0 HG21 ILE A 40 4.815 0.036 8.067 1.00 0.00 H new ATOM 0 HG22 ILE A 40 3.713 0.765 6.875 1.00 0.00 H new ATOM 0 HG23 ILE A 40 3.060 0.027 8.357 1.00 0.00 H new ATOM 0 HD11 ILE A 40 5.629 -3.410 8.944 1.00 0.00 H new ATOM 0 HD12 ILE A 40 6.118 -2.644 7.414 1.00 0.00 H new ATOM 0 HD13 ILE A 40 5.670 -1.636 8.811 1.00 0.00 H new ATOM 666 N LEU A 41 1.117 0.480 5.752 1.00 0.00 N ATOM 667 CA LEU A 41 0.687 1.631 4.977 1.00 0.00 C ATOM 668 C LEU A 41 1.284 2.902 5.585 1.00 0.00 C ATOM 669 O LEU A 41 1.309 3.057 6.805 1.00 0.00 O ATOM 670 CB LEU A 41 -0.838 1.661 4.863 1.00 0.00 C ATOM 671 CG LEU A 41 -1.437 2.906 4.205 1.00 0.00 C ATOM 672 CD1 LEU A 41 -1.153 2.922 2.702 1.00 0.00 C ATOM 673 CD2 LEU A 41 -2.933 3.019 4.507 1.00 0.00 C ATOM 0 H LEU A 41 0.683 0.399 6.672 1.00 0.00 H new ATOM 0 HA LEU A 41 1.058 1.562 3.954 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -1.158 0.786 4.297 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -1.259 1.565 5.864 1.00 0.00 H new ATOM 0 HG LEU A 41 -0.954 3.785 4.633 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -1.589 3.817 2.259 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -0.076 2.923 2.535 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -1.591 2.038 2.240 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -3.334 3.912 4.028 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -3.449 2.139 4.124 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -3.083 3.087 5.585 1.00 0.00 H new ATOM 685 N ARG A 42 1.748 3.779 4.707 1.00 0.00 N ATOM 686 CA ARG A 42 2.343 5.031 5.143 1.00 0.00 C ATOM 687 C ARG A 42 1.885 6.178 4.239 1.00 0.00 C ATOM 688 O ARG A 42 2.058 6.122 3.023 1.00 0.00 O ATOM 689 CB ARG A 42 3.871 4.952 5.121 1.00 0.00 C ATOM 690 CG ARG A 42 4.360 3.627 5.709 1.00 0.00 C ATOM 691 CD ARG A 42 5.714 3.799 6.398 1.00 0.00 C ATOM 692 NE ARG A 42 6.293 2.475 6.717 1.00 0.00 N ATOM 693 CZ ARG A 42 6.842 1.657 5.809 1.00 0.00 C ATOM 694 NH1 ARG A 42 6.892 2.022 4.521 1.00 0.00 N ATOM 695 NH2 ARG A 42 7.342 0.473 6.189 1.00 0.00 N ATOM 0 H ARG A 42 1.724 3.647 3.696 1.00 0.00 H new ATOM 0 HA ARG A 42 2.015 5.216 6.166 1.00 0.00 H new ATOM 0 HB2 ARG A 42 4.229 5.054 4.097 1.00 0.00 H new ATOM 0 HB3 ARG A 42 4.290 5.783 5.689 1.00 0.00 H new ATOM 0 HG2 ARG A 42 3.629 3.251 6.425 1.00 0.00 H new ATOM 0 HG3 ARG A 42 4.443 2.882 4.917 1.00 0.00 H new ATOM 0 HD2 ARG A 42 6.392 4.355 5.751 1.00 0.00 H new ATOM 0 HD3 ARG A 42 5.595 4.382 7.311 1.00 0.00 H new ATOM 0 HE ARG A 42 6.273 2.166 7.689 1.00 0.00 H new ATOM 0 HH11 ARG A 42 6.512 2.923 4.231 1.00 0.00 H new ATOM 0 HH12 ARG A 42 7.310 1.399 3.830 1.00 0.00 H new ATOM 0 HH21 ARG A 42 7.305 0.195 7.170 1.00 0.00 H new ATOM 0 HH22 ARG A 42 7.760 -0.150 5.498 1.00 0.00 H new ATOM 709 N GLU A 43 1.311 7.192 4.869 1.00 0.00 N ATOM 710 CA GLU A 43 0.827 8.351 4.138 1.00 0.00 C ATOM 711 C GLU A 43 1.801 9.521 4.294 1.00 0.00 C ATOM 712 O GLU A 43 2.285 9.788 5.392 1.00 0.00 O ATOM 713 CB GLU A 43 -0.579 8.742 4.597 1.00 0.00 C ATOM 714 CG GLU A 43 -0.574 9.179 6.063 1.00 0.00 C ATOM 715 CD GLU A 43 -0.853 10.678 6.189 1.00 0.00 C ATOM 716 OE1 GLU A 43 -1.957 11.087 5.769 1.00 0.00 O ATOM 717 OE2 GLU A 43 0.044 11.381 6.702 1.00 0.00 O ATOM 0 H GLU A 43 1.170 7.235 5.878 1.00 0.00 H new ATOM 0 HA GLU A 43 0.768 8.091 3.081 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -0.957 9.552 3.973 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -1.256 7.898 4.468 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -1.327 8.618 6.616 1.00 0.00 H new ATOM 0 HG3 GLU A 43 0.391 8.946 6.512 1.00 0.00 H new ATOM 724 N ASP A 44 2.057 10.188 3.178 1.00 0.00 N ATOM 725 CA ASP A 44 2.964 11.323 3.177 1.00 0.00 C ATOM 726 C ASP A 44 4.335 10.876 3.688 1.00 0.00 C ATOM 727 O ASP A 44 4.698 11.155 4.829 1.00 0.00 O ATOM 728 CB ASP A 44 2.456 12.435 4.098 1.00 0.00 C ATOM 729 CG ASP A 44 2.901 13.847 3.714 1.00 0.00 C ATOM 730 OD1 ASP A 44 3.313 14.014 2.545 1.00 0.00 O ATOM 731 OD2 ASP A 44 2.820 14.728 4.597 1.00 0.00 O ATOM 0 H ASP A 44 1.652 9.964 2.269 1.00 0.00 H new ATOM 0 HA ASP A 44 3.029 11.701 2.157 1.00 0.00 H new ATOM 0 HB2 ASP A 44 1.367 12.405 4.112 1.00 0.00 H new ATOM 0 HB3 ASP A 44 2.794 12.228 5.113 1.00 0.00 H new ATOM 736 N PRO A 45 5.079 10.171 2.794 1.00 0.00 N ATOM 737 CA PRO A 45 4.575 9.884 1.462 1.00 0.00 C ATOM 738 C PRO A 45 3.516 8.780 1.503 1.00 0.00 C ATOM 739 O PRO A 45 3.319 8.142 2.536 1.00 0.00 O ATOM 740 CB PRO A 45 5.802 9.499 0.651 1.00 0.00 C ATOM 741 CG PRO A 45 6.874 9.136 1.665 1.00 0.00 C ATOM 742 CD PRO A 45 6.415 9.631 3.027 1.00 0.00 C ATOM 0 HA PRO A 45 4.068 10.737 1.012 1.00 0.00 H new ATOM 0 HB2 PRO A 45 5.587 8.658 -0.008 1.00 0.00 H new ATOM 0 HB3 PRO A 45 6.127 10.325 0.018 1.00 0.00 H new ATOM 0 HG2 PRO A 45 7.032 8.058 1.684 1.00 0.00 H new ATOM 0 HG3 PRO A 45 7.826 9.593 1.394 1.00 0.00 H new ATOM 0 HD2 PRO A 45 6.393 8.821 3.756 1.00 0.00 H new ATOM 0 HD3 PRO A 45 7.088 10.394 3.418 1.00 0.00 H new ATOM 750 N ALA A 46 2.861 8.590 0.367 1.00 0.00 N ATOM 751 CA ALA A 46 1.827 7.574 0.260 1.00 0.00 C ATOM 752 C ALA A 46 2.419 6.316 -0.378 1.00 0.00 C ATOM 753 O ALA A 46 2.499 6.214 -1.601 1.00 0.00 O ATOM 754 CB ALA A 46 0.645 8.131 -0.536 1.00 0.00 C ATOM 0 H ALA A 46 3.026 9.122 -0.487 1.00 0.00 H new ATOM 0 HA ALA A 46 1.455 7.299 1.247 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -0.131 7.369 -0.617 1.00 0.00 H new ATOM 0 HB2 ALA A 46 0.243 9.006 -0.026 1.00 0.00 H new ATOM 0 HB3 ALA A 46 0.980 8.415 -1.534 1.00 0.00 H new ATOM 760 N TYR A 47 2.817 5.388 0.480 1.00 0.00 N ATOM 761 CA TYR A 47 3.398 4.140 0.015 1.00 0.00 C ATOM 762 C TYR A 47 3.015 2.980 0.936 1.00 0.00 C ATOM 763 O TYR A 47 2.912 3.154 2.150 1.00 0.00 O ATOM 764 CB TYR A 47 4.915 4.336 0.067 1.00 0.00 C ATOM 765 CG TYR A 47 5.503 4.978 -1.191 1.00 0.00 C ATOM 766 CD1 TYR A 47 5.254 4.422 -2.430 1.00 0.00 C ATOM 767 CD2 TYR A 47 6.281 6.113 -1.087 1.00 0.00 C ATOM 768 CE1 TYR A 47 5.808 5.027 -3.614 1.00 0.00 C ATOM 769 CE2 TYR A 47 6.834 6.717 -2.272 1.00 0.00 C ATOM 770 CZ TYR A 47 6.570 6.144 -3.476 1.00 0.00 C ATOM 771 OH TYR A 47 7.092 6.715 -4.595 1.00 0.00 O ATOM 0 H TYR A 47 2.749 5.475 1.494 1.00 0.00 H new ATOM 0 HA TYR A 47 3.041 3.900 -0.987 1.00 0.00 H new ATOM 0 HB2 TYR A 47 5.161 4.957 0.928 1.00 0.00 H new ATOM 0 HB3 TYR A 47 5.391 3.368 0.225 1.00 0.00 H new ATOM 0 HD1 TYR A 47 4.644 3.534 -2.511 1.00 0.00 H new ATOM 0 HD2 TYR A 47 6.475 6.548 -0.118 1.00 0.00 H new ATOM 0 HE1 TYR A 47 5.622 4.603 -4.590 1.00 0.00 H new ATOM 0 HE2 TYR A 47 7.445 7.605 -2.205 1.00 0.00 H new ATOM 0 HH TYR A 47 6.376 7.149 -5.105 1.00 0.00 H new ATOM 781 N LEU A 48 2.813 1.822 0.325 1.00 0.00 N ATOM 782 CA LEU A 48 2.442 0.634 1.074 1.00 0.00 C ATOM 783 C LEU A 48 3.543 -0.419 0.930 1.00 0.00 C ATOM 784 O LEU A 48 3.757 -0.954 -0.156 1.00 0.00 O ATOM 785 CB LEU A 48 1.059 0.140 0.646 1.00 0.00 C ATOM 786 CG LEU A 48 0.715 -1.302 1.026 1.00 0.00 C ATOM 787 CD1 LEU A 48 1.547 -2.297 0.214 1.00 0.00 C ATOM 788 CD2 LEU A 48 0.866 -1.523 2.533 1.00 0.00 C ATOM 0 H LEU A 48 2.899 1.681 -0.682 1.00 0.00 H new ATOM 0 HA LEU A 48 2.358 0.865 2.136 1.00 0.00 H new ATOM 0 HB2 LEU A 48 0.308 0.799 1.083 1.00 0.00 H new ATOM 0 HB3 LEU A 48 0.979 0.239 -0.437 1.00 0.00 H new ATOM 0 HG LEU A 48 -0.331 -1.480 0.778 1.00 0.00 H new ATOM 0 HD11 LEU A 48 1.283 -3.314 0.504 1.00 0.00 H new ATOM 0 HD12 LEU A 48 1.345 -2.158 -0.848 1.00 0.00 H new ATOM 0 HD13 LEU A 48 2.606 -2.128 0.407 1.00 0.00 H new ATOM 0 HD21 LEU A 48 0.616 -2.556 2.776 1.00 0.00 H new ATOM 0 HD22 LEU A 48 1.895 -1.320 2.829 1.00 0.00 H new ATOM 0 HD23 LEU A 48 0.195 -0.851 3.068 1.00 0.00 H new ATOM 800 N HIS A 49 4.213 -0.684 2.042 1.00 0.00 N ATOM 801 CA HIS A 49 5.287 -1.663 2.053 1.00 0.00 C ATOM 802 C HIS A 49 4.812 -2.938 2.753 1.00 0.00 C ATOM 803 O HIS A 49 4.139 -2.872 3.781 1.00 0.00 O ATOM 804 CB HIS A 49 6.551 -1.076 2.684 1.00 0.00 C ATOM 805 CG HIS A 49 7.163 0.057 1.895 1.00 0.00 C ATOM 806 ND1 HIS A 49 6.683 1.353 1.949 1.00 0.00 N ATOM 807 CD2 HIS A 49 8.220 0.073 1.033 1.00 0.00 C ATOM 808 CE1 HIS A 49 7.425 2.108 1.152 1.00 0.00 C ATOM 809 NE2 HIS A 49 8.376 1.312 0.584 1.00 0.00 N ATOM 0 H HIS A 49 4.033 -0.238 2.941 1.00 0.00 H new ATOM 0 HA HIS A 49 5.552 -1.929 1.030 1.00 0.00 H new ATOM 0 HB2 HIS A 49 6.312 -0.720 3.686 1.00 0.00 H new ATOM 0 HB3 HIS A 49 7.291 -1.869 2.795 1.00 0.00 H new ATOM 0 HD2 HIS A 49 8.827 -0.778 0.762 1.00 0.00 H new ATOM 0 HE1 HIS A 49 7.299 3.167 0.982 1.00 0.00 H new ATOM 0 HE2 HIS A 49 9.090 1.619 -0.077 1.00 0.00 H new ATOM 817 N TYR A 50 5.180 -4.068 2.168 1.00 0.00 N ATOM 818 CA TYR A 50 4.800 -5.356 2.723 1.00 0.00 C ATOM 819 C TYR A 50 6.018 -6.272 2.868 1.00 0.00 C ATOM 820 O TYR A 50 6.720 -6.535 1.893 1.00 0.00 O ATOM 821 CB TYR A 50 3.827 -5.977 1.719 1.00 0.00 C ATOM 822 CG TYR A 50 4.321 -5.945 0.271 1.00 0.00 C ATOM 823 CD1 TYR A 50 4.046 -4.854 -0.527 1.00 0.00 C ATOM 824 CD2 TYR A 50 5.042 -7.007 -0.235 1.00 0.00 C ATOM 825 CE1 TYR A 50 4.512 -4.824 -1.890 1.00 0.00 C ATOM 826 CE2 TYR A 50 5.507 -6.977 -1.598 1.00 0.00 C ATOM 827 CZ TYR A 50 5.219 -5.887 -2.358 1.00 0.00 C ATOM 828 OH TYR A 50 5.658 -5.858 -3.645 1.00 0.00 O ATOM 0 H TYR A 50 5.737 -4.119 1.315 1.00 0.00 H new ATOM 0 HA TYR A 50 4.359 -5.232 3.712 1.00 0.00 H new ATOM 0 HB2 TYR A 50 3.638 -7.012 2.005 1.00 0.00 H new ATOM 0 HB3 TYR A 50 2.874 -5.451 1.779 1.00 0.00 H new ATOM 0 HD1 TYR A 50 3.482 -4.023 -0.130 1.00 0.00 H new ATOM 0 HD2 TYR A 50 5.258 -7.860 0.391 1.00 0.00 H new ATOM 0 HE1 TYR A 50 4.304 -3.976 -2.526 1.00 0.00 H new ATOM 0 HE2 TYR A 50 6.072 -7.802 -2.007 1.00 0.00 H new ATOM 0 HH TYR A 50 6.149 -6.683 -3.842 1.00 0.00 H new ATOM 838 N TYR A 51 6.230 -6.731 4.092 1.00 0.00 N ATOM 839 CA TYR A 51 7.351 -7.612 4.377 1.00 0.00 C ATOM 840 C TYR A 51 6.874 -9.046 4.615 1.00 0.00 C ATOM 841 O TYR A 51 5.677 -9.291 4.752 1.00 0.00 O ATOM 842 CB TYR A 51 7.989 -7.079 5.661 1.00 0.00 C ATOM 843 CG TYR A 51 8.278 -5.577 5.636 1.00 0.00 C ATOM 844 CD1 TYR A 51 7.270 -4.676 5.916 1.00 0.00 C ATOM 845 CD2 TYR A 51 9.545 -5.122 5.334 1.00 0.00 C ATOM 846 CE1 TYR A 51 7.542 -3.262 5.892 1.00 0.00 C ATOM 847 CE2 TYR A 51 9.817 -3.708 5.311 1.00 0.00 C ATOM 848 CZ TYR A 51 8.801 -2.848 5.591 1.00 0.00 C ATOM 849 OH TYR A 51 9.058 -1.513 5.569 1.00 0.00 O ATOM 0 H TYR A 51 5.645 -6.510 4.898 1.00 0.00 H new ATOM 0 HA TYR A 51 8.049 -7.630 3.540 1.00 0.00 H new ATOM 0 HB2 TYR A 51 7.329 -7.297 6.500 1.00 0.00 H new ATOM 0 HB3 TYR A 51 8.921 -7.615 5.841 1.00 0.00 H new ATOM 0 HD1 TYR A 51 6.278 -5.031 6.153 1.00 0.00 H new ATOM 0 HD2 TYR A 51 10.333 -5.827 5.115 1.00 0.00 H new ATOM 0 HE1 TYR A 51 6.763 -2.546 6.108 1.00 0.00 H new ATOM 0 HE2 TYR A 51 10.805 -3.339 5.077 1.00 0.00 H new ATOM 0 HH TYR A 51 9.999 -1.365 5.340 1.00 0.00 H new ATOM 859 N ASP A 52 7.836 -9.956 4.657 1.00 0.00 N ATOM 860 CA ASP A 52 7.530 -11.359 4.876 1.00 0.00 C ATOM 861 C ASP A 52 7.185 -11.577 6.351 1.00 0.00 C ATOM 862 O ASP A 52 7.786 -10.961 7.230 1.00 0.00 O ATOM 863 CB ASP A 52 8.730 -12.245 4.535 1.00 0.00 C ATOM 864 CG ASP A 52 8.479 -13.749 4.657 1.00 0.00 C ATOM 865 OD1 ASP A 52 8.008 -14.329 3.655 1.00 0.00 O ATOM 866 OD2 ASP A 52 8.764 -14.285 5.750 1.00 0.00 O ATOM 0 H ASP A 52 8.828 -9.749 4.543 1.00 0.00 H new ATOM 0 HA ASP A 52 6.691 -11.625 4.233 1.00 0.00 H new ATOM 0 HB2 ASP A 52 9.046 -12.026 3.515 1.00 0.00 H new ATOM 0 HB3 ASP A 52 9.559 -11.976 5.190 1.00 0.00 H new ATOM 871 N PRO A 53 6.194 -12.479 6.582 1.00 0.00 N ATOM 872 CA PRO A 53 5.762 -12.786 7.935 1.00 0.00 C ATOM 873 C PRO A 53 6.783 -13.674 8.648 1.00 0.00 C ATOM 874 O PRO A 53 7.159 -13.402 9.788 1.00 0.00 O ATOM 875 CB PRO A 53 4.406 -13.453 7.773 1.00 0.00 C ATOM 876 CG PRO A 53 4.337 -13.913 6.326 1.00 0.00 C ATOM 877 CD PRO A 53 5.460 -13.227 5.565 1.00 0.00 C ATOM 0 HA PRO A 53 5.682 -11.898 8.563 1.00 0.00 H new ATOM 0 HB2 PRO A 53 4.302 -14.296 8.456 1.00 0.00 H new ATOM 0 HB3 PRO A 53 3.599 -12.757 8.000 1.00 0.00 H new ATOM 0 HG2 PRO A 53 4.440 -14.996 6.264 1.00 0.00 H new ATOM 0 HG3 PRO A 53 3.370 -13.660 5.891 1.00 0.00 H new ATOM 0 HD2 PRO A 53 6.102 -13.953 5.067 1.00 0.00 H new ATOM 0 HD3 PRO A 53 5.068 -12.565 4.792 1.00 0.00 H new ATOM 885 N ALA A 54 7.204 -14.717 7.948 1.00 0.00 N ATOM 886 CA ALA A 54 8.175 -15.647 8.501 1.00 0.00 C ATOM 887 C ALA A 54 9.322 -14.861 9.139 1.00 0.00 C ATOM 888 O ALA A 54 9.914 -15.307 10.120 1.00 0.00 O ATOM 889 CB ALA A 54 8.658 -16.594 7.400 1.00 0.00 C ATOM 0 H ALA A 54 6.891 -14.939 7.003 1.00 0.00 H new ATOM 0 HA ALA A 54 7.721 -16.258 9.281 1.00 0.00 H new ATOM 0 HB1 ALA A 54 9.386 -17.292 7.814 1.00 0.00 H new ATOM 0 HB2 ALA A 54 7.810 -17.150 7.000 1.00 0.00 H new ATOM 0 HB3 ALA A 54 9.123 -16.016 6.601 1.00 0.00 H new ATOM 895 N GLY A 55 9.600 -13.704 8.555 1.00 0.00 N ATOM 896 CA GLY A 55 10.666 -12.852 9.054 1.00 0.00 C ATOM 897 C GLY A 55 11.508 -12.296 7.904 1.00 0.00 C ATOM 898 O GLY A 55 11.649 -12.941 6.866 1.00 0.00 O ATOM 0 H GLY A 55 9.106 -13.337 7.742 1.00 0.00 H new ATOM 0 HA2 GLY A 55 10.240 -12.029 9.628 1.00 0.00 H new ATOM 0 HA3 GLY A 55 11.302 -13.419 9.734 1.00 0.00 H new ATOM 902 N ALA A 56 12.047 -11.107 8.128 1.00 0.00 N ATOM 903 CA ALA A 56 12.871 -10.457 7.123 1.00 0.00 C ATOM 904 C ALA A 56 13.349 -9.106 7.658 1.00 0.00 C ATOM 905 O ALA A 56 13.193 -8.812 8.842 1.00 0.00 O ATOM 906 CB ALA A 56 12.079 -10.323 5.821 1.00 0.00 C ATOM 0 H ALA A 56 11.929 -10.576 8.991 1.00 0.00 H new ATOM 0 HA ALA A 56 13.755 -11.056 6.905 1.00 0.00 H new ATOM 0 HB1 ALA A 56 12.697 -9.835 5.067 1.00 0.00 H new ATOM 0 HB2 ALA A 56 11.789 -11.313 5.468 1.00 0.00 H new ATOM 0 HB3 ALA A 56 11.185 -9.725 5.999 1.00 0.00 H new ATOM 912 N GLU A 57 13.921 -8.319 6.758 1.00 0.00 N ATOM 913 CA GLU A 57 14.422 -7.005 7.124 1.00 0.00 C ATOM 914 C GLU A 57 13.899 -5.947 6.151 1.00 0.00 C ATOM 915 O GLU A 57 13.254 -4.984 6.563 1.00 0.00 O ATOM 916 CB GLU A 57 15.951 -6.996 7.174 1.00 0.00 C ATOM 917 CG GLU A 57 16.467 -5.800 7.976 1.00 0.00 C ATOM 918 CD GLU A 57 16.377 -6.068 9.480 1.00 0.00 C ATOM 919 OE1 GLU A 57 16.760 -7.189 9.880 1.00 0.00 O ATOM 920 OE2 GLU A 57 15.927 -5.147 10.195 1.00 0.00 O ATOM 0 H GLU A 57 14.048 -8.566 5.777 1.00 0.00 H new ATOM 0 HA GLU A 57 14.057 -6.764 8.122 1.00 0.00 H new ATOM 0 HB2 GLU A 57 16.309 -7.922 7.624 1.00 0.00 H new ATOM 0 HB3 GLU A 57 16.351 -6.959 6.161 1.00 0.00 H new ATOM 0 HG2 GLU A 57 17.501 -5.592 7.701 1.00 0.00 H new ATOM 0 HG3 GLU A 57 15.886 -4.912 7.726 1.00 0.00 H new ATOM 927 N ASP A 58 14.195 -6.161 4.878 1.00 0.00 N ATOM 928 CA ASP A 58 13.763 -5.238 3.843 1.00 0.00 C ATOM 929 C ASP A 58 12.391 -5.671 3.320 1.00 0.00 C ATOM 930 O ASP A 58 12.028 -6.842 3.415 1.00 0.00 O ATOM 931 CB ASP A 58 14.738 -5.235 2.664 1.00 0.00 C ATOM 932 CG ASP A 58 14.779 -6.534 1.855 1.00 0.00 C ATOM 933 OD1 ASP A 58 14.366 -7.568 2.422 1.00 0.00 O ATOM 934 OD2 ASP A 58 15.224 -6.462 0.689 1.00 0.00 O ATOM 0 H ASP A 58 14.729 -6.961 4.539 1.00 0.00 H new ATOM 0 HA ASP A 58 13.721 -4.240 4.278 1.00 0.00 H new ATOM 0 HB2 ASP A 58 14.473 -4.416 1.995 1.00 0.00 H new ATOM 0 HB3 ASP A 58 15.740 -5.027 3.041 1.00 0.00 H new ATOM 939 N PRO A 59 11.648 -4.677 2.765 1.00 0.00 N ATOM 940 CA PRO A 59 10.324 -4.943 2.228 1.00 0.00 C ATOM 941 C PRO A 59 10.414 -5.671 0.885 1.00 0.00 C ATOM 942 O PRO A 59 11.386 -5.506 0.149 1.00 0.00 O ATOM 943 CB PRO A 59 9.662 -3.579 2.120 1.00 0.00 C ATOM 944 CG PRO A 59 10.791 -2.563 2.161 1.00 0.00 C ATOM 945 CD PRO A 59 12.045 -3.278 2.636 1.00 0.00 C ATOM 0 HA PRO A 59 9.738 -5.607 2.864 1.00 0.00 H new ATOM 0 HB2 PRO A 59 9.093 -3.493 1.194 1.00 0.00 H new ATOM 0 HB3 PRO A 59 8.962 -3.419 2.940 1.00 0.00 H new ATOM 0 HG2 PRO A 59 10.950 -2.129 1.174 1.00 0.00 H new ATOM 0 HG3 PRO A 59 10.542 -1.742 2.834 1.00 0.00 H new ATOM 0 HD2 PRO A 59 12.861 -3.162 1.923 1.00 0.00 H new ATOM 0 HD3 PRO A 59 12.394 -2.876 3.587 1.00 0.00 H new ATOM 953 N LEU A 60 9.388 -6.462 0.607 1.00 0.00 N ATOM 954 CA LEU A 60 9.339 -7.216 -0.633 1.00 0.00 C ATOM 955 C LEU A 60 9.073 -6.259 -1.797 1.00 0.00 C ATOM 956 O LEU A 60 9.164 -6.649 -2.960 1.00 0.00 O ATOM 957 CB LEU A 60 8.322 -8.355 -0.529 1.00 0.00 C ATOM 958 CG LEU A 60 8.590 -9.395 0.561 1.00 0.00 C ATOM 959 CD1 LEU A 60 7.326 -9.670 1.378 1.00 0.00 C ATOM 960 CD2 LEU A 60 9.177 -10.675 -0.036 1.00 0.00 C ATOM 0 H LEU A 60 8.584 -6.597 1.220 1.00 0.00 H new ATOM 0 HA LEU A 60 10.299 -7.694 -0.825 1.00 0.00 H new ATOM 0 HB2 LEU A 60 7.337 -7.922 -0.356 1.00 0.00 H new ATOM 0 HB3 LEU A 60 8.280 -8.867 -1.490 1.00 0.00 H new ATOM 0 HG LEU A 60 9.334 -8.989 1.246 1.00 0.00 H new ATOM 0 HD11 LEU A 60 7.543 -10.412 2.146 1.00 0.00 H new ATOM 0 HD12 LEU A 60 6.990 -8.747 1.851 1.00 0.00 H new ATOM 0 HD13 LEU A 60 6.543 -10.047 0.720 1.00 0.00 H new ATOM 0 HD21 LEU A 60 9.358 -11.398 0.760 1.00 0.00 H new ATOM 0 HD22 LEU A 60 8.475 -11.096 -0.756 1.00 0.00 H new ATOM 0 HD23 LEU A 60 10.117 -10.445 -0.538 1.00 0.00 H new ATOM 972 N GLY A 61 8.749 -5.024 -1.443 1.00 0.00 N ATOM 973 CA GLY A 61 8.470 -4.008 -2.443 1.00 0.00 C ATOM 974 C GLY A 61 7.575 -2.907 -1.871 1.00 0.00 C ATOM 975 O GLY A 61 7.273 -2.905 -0.679 1.00 0.00 O ATOM 0 H GLY A 61 8.674 -4.704 -0.477 1.00 0.00 H new ATOM 0 HA2 GLY A 61 9.405 -3.574 -2.797 1.00 0.00 H new ATOM 0 HA3 GLY A 61 7.984 -4.465 -3.305 1.00 0.00 H new ATOM 979 N ALA A 62 7.176 -1.997 -2.748 1.00 0.00 N ATOM 980 CA ALA A 62 6.322 -0.893 -2.345 1.00 0.00 C ATOM 981 C ALA A 62 5.267 -0.649 -3.425 1.00 0.00 C ATOM 982 O ALA A 62 5.531 -0.842 -4.611 1.00 0.00 O ATOM 983 CB ALA A 62 7.180 0.345 -2.077 1.00 0.00 C ATOM 0 H ALA A 62 7.429 -2.002 -3.736 1.00 0.00 H new ATOM 0 HA ALA A 62 5.797 -1.132 -1.420 1.00 0.00 H new ATOM 0 HB1 ALA A 62 6.539 1.173 -1.775 1.00 0.00 H new ATOM 0 HB2 ALA A 62 7.893 0.128 -1.281 1.00 0.00 H new ATOM 0 HB3 ALA A 62 7.720 0.617 -2.984 1.00 0.00 H new ATOM 989 N ILE A 63 4.093 -0.228 -2.977 1.00 0.00 N ATOM 990 CA ILE A 63 2.997 0.045 -3.891 1.00 0.00 C ATOM 991 C ILE A 63 2.702 1.546 -3.894 1.00 0.00 C ATOM 992 O ILE A 63 2.207 2.087 -2.907 1.00 0.00 O ATOM 993 CB ILE A 63 1.783 -0.819 -3.545 1.00 0.00 C ATOM 994 CG1 ILE A 63 2.209 -2.246 -3.192 1.00 0.00 C ATOM 995 CG2 ILE A 63 0.751 -0.792 -4.674 1.00 0.00 C ATOM 996 CD1 ILE A 63 1.009 -3.079 -2.735 1.00 0.00 C ATOM 0 H ILE A 63 3.877 -0.069 -1.993 1.00 0.00 H new ATOM 0 HA ILE A 63 3.274 -0.228 -4.909 1.00 0.00 H new ATOM 0 HB ILE A 63 1.304 -0.397 -2.661 1.00 0.00 H new ATOM 0 HG12 ILE A 63 2.673 -2.716 -4.059 1.00 0.00 H new ATOM 0 HG13 ILE A 63 2.960 -2.220 -2.403 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -0.102 -1.414 -4.402 1.00 0.00 H new ATOM 0 HG22 ILE A 63 0.416 0.232 -4.836 1.00 0.00 H new ATOM 0 HG23 ILE A 63 1.203 -1.175 -5.589 1.00 0.00 H new ATOM 0 HD11 ILE A 63 1.339 -4.089 -2.490 1.00 0.00 H new ATOM 0 HD12 ILE A 63 0.562 -2.620 -1.853 1.00 0.00 H new ATOM 0 HD13 ILE A 63 0.270 -3.123 -3.535 1.00 0.00 H new ATOM 1008 N HIS A 64 3.019 2.177 -5.015 1.00 0.00 N ATOM 1009 CA HIS A 64 2.795 3.605 -5.160 1.00 0.00 C ATOM 1010 C HIS A 64 1.329 3.927 -4.861 1.00 0.00 C ATOM 1011 O HIS A 64 0.429 3.227 -5.323 1.00 0.00 O ATOM 1012 CB HIS A 64 3.237 4.088 -6.543 1.00 0.00 C ATOM 1013 CG HIS A 64 3.645 5.541 -6.584 1.00 0.00 C ATOM 1014 ND1 HIS A 64 3.917 6.210 -7.765 1.00 0.00 N ATOM 1015 CD2 HIS A 64 3.823 6.446 -5.580 1.00 0.00 C ATOM 1016 CE1 HIS A 64 4.244 7.460 -7.472 1.00 0.00 C ATOM 1017 NE2 HIS A 64 4.186 7.604 -6.117 1.00 0.00 N ATOM 0 H HIS A 64 3.430 1.725 -5.832 1.00 0.00 H new ATOM 0 HA HIS A 64 3.406 4.147 -4.438 1.00 0.00 H new ATOM 0 HB2 HIS A 64 4.074 3.476 -6.880 1.00 0.00 H new ATOM 0 HB3 HIS A 64 2.422 3.930 -7.249 1.00 0.00 H new ATOM 0 HD1 HIS A 64 3.873 5.809 -8.702 1.00 0.00 H new ATOM 0 HD2 HIS A 64 3.691 6.253 -4.526 1.00 0.00 H new ATOM 0 HE1 HIS A 64 4.510 8.230 -8.181 1.00 0.00 H new ATOM 1025 N LEU A 65 1.135 4.986 -4.089 1.00 0.00 N ATOM 1026 CA LEU A 65 -0.206 5.409 -3.722 1.00 0.00 C ATOM 1027 C LEU A 65 -0.469 6.805 -4.290 1.00 0.00 C ATOM 1028 O LEU A 65 -1.431 7.466 -3.903 1.00 0.00 O ATOM 1029 CB LEU A 65 -0.402 5.315 -2.208 1.00 0.00 C ATOM 1030 CG LEU A 65 -0.088 3.958 -1.574 1.00 0.00 C ATOM 1031 CD1 LEU A 65 -0.068 4.057 -0.047 1.00 0.00 C ATOM 1032 CD2 LEU A 65 -1.060 2.885 -2.066 1.00 0.00 C ATOM 0 H LEU A 65 1.884 5.564 -3.707 1.00 0.00 H new ATOM 0 HA LEU A 65 -0.949 4.741 -4.159 1.00 0.00 H new ATOM 0 HB2 LEU A 65 0.225 6.070 -1.733 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -1.437 5.570 -1.979 1.00 0.00 H new ATOM 0 HG LEU A 65 0.911 3.657 -1.890 1.00 0.00 H new ATOM 0 HD11 LEU A 65 0.157 3.079 0.378 1.00 0.00 H new ATOM 0 HD12 LEU A 65 0.695 4.771 0.261 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -1.043 4.391 0.309 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -0.815 1.931 -1.600 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -2.079 3.167 -1.800 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -0.981 2.791 -3.149 1.00 0.00 H new ATOM 1044 N ARG A 66 0.404 7.213 -5.200 1.00 0.00 N ATOM 1045 CA ARG A 66 0.279 8.519 -5.825 1.00 0.00 C ATOM 1046 C ARG A 66 -1.103 8.671 -6.464 1.00 0.00 C ATOM 1047 O ARG A 66 -1.890 9.523 -6.055 1.00 0.00 O ATOM 1048 CB ARG A 66 1.353 8.723 -6.895 1.00 0.00 C ATOM 1049 CG ARG A 66 2.225 9.938 -6.572 1.00 0.00 C ATOM 1050 CD ARG A 66 2.751 10.591 -7.852 1.00 0.00 C ATOM 1051 NE ARG A 66 2.685 12.064 -7.733 1.00 0.00 N ATOM 1052 CZ ARG A 66 2.948 12.912 -8.738 1.00 0.00 C ATOM 1053 NH1 ARG A 66 3.296 12.437 -9.941 1.00 0.00 N ATOM 1054 NH2 ARG A 66 2.863 14.234 -8.538 1.00 0.00 N ATOM 0 H ARG A 66 1.201 6.662 -5.519 1.00 0.00 H new ATOM 0 HA ARG A 66 0.409 9.272 -5.048 1.00 0.00 H new ATOM 0 HB2 ARG A 66 1.976 7.832 -6.964 1.00 0.00 H new ATOM 0 HB3 ARG A 66 0.881 8.858 -7.868 1.00 0.00 H new ATOM 0 HG2 ARG A 66 1.646 10.664 -6.000 1.00 0.00 H new ATOM 0 HG3 ARG A 66 3.062 9.633 -5.945 1.00 0.00 H new ATOM 0 HD2 ARG A 66 3.779 10.278 -8.033 1.00 0.00 H new ATOM 0 HD3 ARG A 66 2.162 10.260 -8.707 1.00 0.00 H new ATOM 0 HE ARG A 66 2.423 12.459 -6.830 1.00 0.00 H new ATOM 0 HH11 ARG A 66 3.361 11.430 -10.093 1.00 0.00 H new ATOM 0 HH12 ARG A 66 3.496 13.082 -10.706 1.00 0.00 H new ATOM 0 HH21 ARG A 66 2.598 14.595 -7.622 1.00 0.00 H new ATOM 0 HH22 ARG A 66 3.063 14.879 -9.302 1.00 0.00 H new ATOM 1068 N GLY A 67 -1.356 7.830 -7.457 1.00 0.00 N ATOM 1069 CA GLY A 67 -2.629 7.860 -8.157 1.00 0.00 C ATOM 1070 C GLY A 67 -3.260 6.467 -8.206 1.00 0.00 C ATOM 1071 O GLY A 67 -3.840 6.081 -9.220 1.00 0.00 O ATOM 0 H GLY A 67 -0.701 7.124 -7.793 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -3.306 8.553 -7.658 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -2.482 8.233 -9.171 1.00 0.00 H new ATOM 1075 N CYS A 68 -3.126 5.752 -7.099 1.00 0.00 N ATOM 1076 CA CYS A 68 -3.676 4.410 -7.004 1.00 0.00 C ATOM 1077 C CYS A 68 -5.194 4.523 -6.857 1.00 0.00 C ATOM 1078 O CYS A 68 -5.730 5.624 -6.741 1.00 0.00 O ATOM 1079 CB CYS A 68 -3.048 3.622 -5.853 1.00 0.00 C ATOM 1080 SG CYS A 68 -3.490 4.392 -4.253 1.00 0.00 S ATOM 0 H CYS A 68 -2.645 6.076 -6.260 1.00 0.00 H new ATOM 0 HA CYS A 68 -3.440 3.852 -7.910 1.00 0.00 H new ATOM 0 HB2 CYS A 68 -3.395 2.589 -5.877 1.00 0.00 H new ATOM 0 HB3 CYS A 68 -1.964 3.597 -5.967 1.00 0.00 H new ATOM 0 HG CYS A 68 -3.747 3.463 -3.381 1.00 0.00 H new ATOM 1086 N VAL A 69 -5.845 3.369 -6.867 1.00 0.00 N ATOM 1087 CA VAL A 69 -7.291 3.324 -6.735 1.00 0.00 C ATOM 1088 C VAL A 69 -7.676 2.222 -5.746 1.00 0.00 C ATOM 1089 O VAL A 69 -6.987 1.208 -5.643 1.00 0.00 O ATOM 1090 CB VAL A 69 -7.936 3.144 -8.111 1.00 0.00 C ATOM 1091 CG1 VAL A 69 -9.461 3.221 -8.017 1.00 0.00 C ATOM 1092 CG2 VAL A 69 -7.396 4.170 -9.109 1.00 0.00 C ATOM 0 H VAL A 69 -5.397 2.458 -6.965 1.00 0.00 H new ATOM 0 HA VAL A 69 -7.667 4.265 -6.334 1.00 0.00 H new ATOM 0 HB VAL A 69 -7.673 2.151 -8.476 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -9.894 3.090 -9.009 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -9.825 2.435 -7.356 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -9.752 4.193 -7.620 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -7.871 4.020 -10.078 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -7.614 5.176 -8.750 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -6.318 4.047 -9.210 1.00 0.00 H new ATOM 1102 N VAL A 70 -8.774 2.458 -5.044 1.00 0.00 N ATOM 1103 CA VAL A 70 -9.258 1.498 -4.067 1.00 0.00 C ATOM 1104 C VAL A 70 -10.617 0.957 -4.519 1.00 0.00 C ATOM 1105 O VAL A 70 -11.448 1.706 -5.029 1.00 0.00 O ATOM 1106 CB VAL A 70 -9.303 2.141 -2.679 1.00 0.00 C ATOM 1107 CG1 VAL A 70 -10.154 1.310 -1.717 1.00 0.00 C ATOM 1108 CG2 VAL A 70 -7.891 2.346 -2.125 1.00 0.00 C ATOM 0 H VAL A 70 -9.342 3.300 -5.132 1.00 0.00 H new ATOM 0 HA VAL A 70 -8.577 0.650 -3.996 1.00 0.00 H new ATOM 0 HB VAL A 70 -9.770 3.121 -2.778 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -10.169 1.789 -0.738 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -11.171 1.237 -2.101 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -9.728 0.311 -1.625 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -7.950 2.804 -1.138 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -7.387 1.383 -2.048 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -7.329 2.997 -2.794 1.00 0.00 H new ATOM 1118 N THR A 71 -10.799 -0.339 -4.315 1.00 0.00 N ATOM 1119 CA THR A 71 -12.042 -0.989 -4.695 1.00 0.00 C ATOM 1120 C THR A 71 -12.222 -2.293 -3.917 1.00 0.00 C ATOM 1121 O THR A 71 -11.338 -2.698 -3.163 1.00 0.00 O ATOM 1122 CB THR A 71 -12.029 -1.184 -6.213 1.00 0.00 C ATOM 1123 OG1 THR A 71 -13.407 -1.186 -6.575 1.00 0.00 O ATOM 1124 CG2 THR A 71 -11.535 -2.574 -6.620 1.00 0.00 C ATOM 0 H THR A 71 -10.107 -0.957 -3.891 1.00 0.00 H new ATOM 0 HA THR A 71 -12.904 -0.373 -4.439 1.00 0.00 H new ATOM 0 HB THR A 71 -11.395 -0.425 -6.671 1.00 0.00 H new ATOM 0 HG1 THR A 71 -13.490 -1.306 -7.544 1.00 0.00 H new ATOM 0 HG21 THR A 71 -11.545 -2.660 -7.707 1.00 0.00 H new ATOM 0 HG22 THR A 71 -10.519 -2.721 -6.254 1.00 0.00 H new ATOM 0 HG23 THR A 71 -12.189 -3.333 -6.190 1.00 0.00 H new ATOM 1132 N SER A 72 -13.373 -2.916 -4.125 1.00 0.00 N ATOM 1133 CA SER A 72 -13.680 -4.166 -3.452 1.00 0.00 C ATOM 1134 C SER A 72 -13.830 -5.290 -4.479 1.00 0.00 C ATOM 1135 O SER A 72 -14.048 -5.030 -5.661 1.00 0.00 O ATOM 1136 CB SER A 72 -14.953 -4.041 -2.612 1.00 0.00 C ATOM 1137 OG SER A 72 -15.232 -2.688 -2.263 1.00 0.00 O ATOM 0 H SER A 72 -14.104 -2.578 -4.751 1.00 0.00 H new ATOM 0 HA SER A 72 -12.856 -4.404 -2.780 1.00 0.00 H new ATOM 0 HB2 SER A 72 -15.796 -4.453 -3.167 1.00 0.00 H new ATOM 0 HB3 SER A 72 -14.848 -4.635 -1.704 1.00 0.00 H new ATOM 0 HG SER A 72 -16.053 -2.651 -1.729 1.00 0.00 H new ATOM 1143 N VAL A 73 -13.708 -6.516 -3.990 1.00 0.00 N ATOM 1144 CA VAL A 73 -13.827 -7.680 -4.850 1.00 0.00 C ATOM 1145 C VAL A 73 -15.308 -7.984 -5.088 1.00 0.00 C ATOM 1146 O VAL A 73 -16.163 -7.127 -4.872 1.00 0.00 O ATOM 1147 CB VAL A 73 -13.065 -8.860 -4.243 1.00 0.00 C ATOM 1148 CG1 VAL A 73 -11.599 -8.498 -3.999 1.00 0.00 C ATOM 1149 CG2 VAL A 73 -13.734 -9.339 -2.953 1.00 0.00 C ATOM 0 H VAL A 73 -13.528 -6.728 -3.009 1.00 0.00 H new ATOM 0 HA VAL A 73 -13.375 -7.484 -5.822 1.00 0.00 H new ATOM 0 HB VAL A 73 -13.092 -9.681 -4.959 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -11.080 -9.354 -3.567 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -11.129 -8.228 -4.944 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -11.542 -7.654 -3.311 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -13.173 -10.178 -2.542 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -13.752 -8.525 -2.228 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -14.755 -9.656 -3.168 1.00 0.00 H new ATOM 1159 N GLU A 74 -15.565 -9.206 -5.529 1.00 0.00 N ATOM 1160 CA GLU A 74 -16.927 -9.634 -5.799 1.00 0.00 C ATOM 1161 C GLU A 74 -17.282 -10.850 -4.940 1.00 0.00 C ATOM 1162 O GLU A 74 -18.384 -10.933 -4.400 1.00 0.00 O ATOM 1163 CB GLU A 74 -17.123 -9.936 -7.286 1.00 0.00 C ATOM 1164 CG GLU A 74 -18.540 -10.446 -7.559 1.00 0.00 C ATOM 1165 CD GLU A 74 -19.569 -9.328 -7.377 1.00 0.00 C ATOM 1166 OE1 GLU A 74 -19.603 -8.440 -8.256 1.00 0.00 O ATOM 1167 OE2 GLU A 74 -20.298 -9.388 -6.363 1.00 0.00 O ATOM 0 H GLU A 74 -14.853 -9.914 -5.706 1.00 0.00 H new ATOM 0 HA GLU A 74 -17.602 -8.819 -5.536 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -16.938 -9.035 -7.871 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -16.396 -10.681 -7.609 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -18.600 -10.839 -8.574 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -18.770 -11.270 -6.884 1.00 0.00 H new ATOM 1174 N SER A 75 -16.327 -11.763 -4.841 1.00 0.00 N ATOM 1175 CA SER A 75 -16.524 -12.970 -4.057 1.00 0.00 C ATOM 1176 C SER A 75 -17.947 -13.496 -4.257 1.00 0.00 C ATOM 1177 O SER A 75 -18.800 -13.336 -3.385 1.00 0.00 O ATOM 1178 CB SER A 75 -16.256 -12.713 -2.573 1.00 0.00 C ATOM 1179 OG SER A 75 -17.055 -13.545 -1.735 1.00 0.00 O ATOM 0 H SER A 75 -15.414 -11.691 -5.291 1.00 0.00 H new ATOM 0 HA SER A 75 -15.814 -13.722 -4.401 1.00 0.00 H new ATOM 0 HB2 SER A 75 -15.202 -12.888 -2.359 1.00 0.00 H new ATOM 0 HB3 SER A 75 -16.458 -11.667 -2.344 1.00 0.00 H new ATOM 0 HG SER A 75 -18.001 -13.325 -1.862 1.00 0.00 H new ATOM 1185 N ASN A 76 -18.159 -14.114 -5.409 1.00 0.00 N ATOM 1186 CA ASN A 76 -19.464 -14.665 -5.734 1.00 0.00 C ATOM 1187 C ASN A 76 -19.602 -16.048 -5.094 1.00 0.00 C ATOM 1188 O ASN A 76 -19.066 -17.030 -5.606 1.00 0.00 O ATOM 1189 CB ASN A 76 -19.633 -14.825 -7.246 1.00 0.00 C ATOM 1190 CG ASN A 76 -20.813 -13.994 -7.756 1.00 0.00 C ATOM 1191 OD1 ASN A 76 -21.217 -13.010 -7.159 1.00 0.00 O ATOM 1192 ND2 ASN A 76 -21.341 -14.445 -8.891 1.00 0.00 N ATOM 0 H ASN A 76 -17.449 -14.246 -6.129 1.00 0.00 H new ATOM 0 HA ASN A 76 -20.223 -13.980 -5.357 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -18.719 -14.515 -7.753 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -19.791 -15.876 -7.489 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -22.133 -13.960 -9.313 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -20.954 -15.275 -9.339 1.00 0.00 H new ATOM 1199 N SER A 77 -20.325 -16.082 -3.984 1.00 0.00 N ATOM 1200 CA SER A 77 -20.541 -17.328 -3.269 1.00 0.00 C ATOM 1201 C SER A 77 -21.625 -17.141 -2.207 1.00 0.00 C ATOM 1202 O SER A 77 -21.687 -16.100 -1.554 1.00 0.00 O ATOM 1203 CB SER A 77 -19.245 -17.824 -2.623 1.00 0.00 C ATOM 1204 OG SER A 77 -18.964 -17.146 -1.402 1.00 0.00 O ATOM 0 H SER A 77 -20.769 -15.266 -3.562 1.00 0.00 H new ATOM 0 HA SER A 77 -20.870 -18.081 -3.986 1.00 0.00 H new ATOM 0 HB2 SER A 77 -19.321 -18.895 -2.434 1.00 0.00 H new ATOM 0 HB3 SER A 77 -18.416 -17.681 -3.316 1.00 0.00 H new ATOM 0 HG SER A 77 -18.130 -17.492 -1.020 1.00 0.00 H new ATOM 1210 N ASN A 78 -22.454 -18.165 -2.066 1.00 0.00 N ATOM 1211 CA ASN A 78 -23.533 -18.126 -1.093 1.00 0.00 C ATOM 1212 C ASN A 78 -22.972 -18.432 0.297 1.00 0.00 C ATOM 1213 O ASN A 78 -22.072 -19.257 0.439 1.00 0.00 O ATOM 1214 CB ASN A 78 -24.601 -19.174 -1.413 1.00 0.00 C ATOM 1215 CG ASN A 78 -25.760 -18.554 -2.196 1.00 0.00 C ATOM 1216 OD1 ASN A 78 -26.158 -17.422 -1.974 1.00 0.00 O ATOM 1217 ND2 ASN A 78 -26.279 -19.356 -3.121 1.00 0.00 N ATOM 0 H ASN A 78 -22.400 -19.027 -2.609 1.00 0.00 H new ATOM 0 HA ASN A 78 -23.981 -17.133 -1.126 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -24.158 -19.984 -1.992 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -24.975 -19.611 -0.487 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -27.058 -19.034 -3.696 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -25.898 -20.293 -3.256 1.00 0.00 H new ATOM 1224 N GLY A 79 -23.529 -17.750 1.287 1.00 0.00 N ATOM 1225 CA GLY A 79 -23.096 -17.938 2.661 1.00 0.00 C ATOM 1226 C GLY A 79 -23.467 -19.334 3.167 1.00 0.00 C ATOM 1227 O GLY A 79 -24.428 -19.491 3.918 1.00 0.00 O ATOM 0 H GLY A 79 -24.276 -17.067 1.165 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -22.017 -17.798 2.728 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -23.556 -17.182 3.298 1.00 0.00 H new ATOM 1231 N ARG A 80 -22.685 -20.312 2.734 1.00 0.00 N ATOM 1232 CA ARG A 80 -22.920 -21.690 3.133 1.00 0.00 C ATOM 1233 C ARG A 80 -21.605 -22.354 3.546 1.00 0.00 C ATOM 1234 O ARG A 80 -21.428 -22.721 4.707 1.00 0.00 O ATOM 1235 CB ARG A 80 -23.554 -22.493 1.996 1.00 0.00 C ATOM 1236 CG ARG A 80 -25.036 -22.147 1.841 1.00 0.00 C ATOM 1237 CD ARG A 80 -25.921 -23.266 2.393 1.00 0.00 C ATOM 1238 NE ARG A 80 -26.403 -24.123 1.287 1.00 0.00 N ATOM 1239 CZ ARG A 80 -27.160 -25.215 1.458 1.00 0.00 C ATOM 1240 NH1 ARG A 80 -27.525 -25.591 2.691 1.00 0.00 N ATOM 1241 NH2 ARG A 80 -27.552 -25.932 0.396 1.00 0.00 N ATOM 0 H ARG A 80 -21.888 -20.178 2.111 1.00 0.00 H new ATOM 0 HA ARG A 80 -23.607 -21.677 3.979 1.00 0.00 H new ATOM 0 HB2 ARG A 80 -23.029 -22.286 1.063 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -23.445 -23.559 2.194 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -25.252 -21.216 2.364 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -25.266 -21.982 0.788 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -25.359 -23.865 3.110 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -26.769 -22.839 2.929 1.00 0.00 H new ATOM 0 HE ARG A 80 -26.143 -23.866 0.335 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -27.227 -25.046 3.500 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -28.101 -26.422 2.821 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -27.274 -25.646 -0.543 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -28.128 -26.763 0.527 1.00 0.00 H new ATOM 1255 N LYS A 81 -20.716 -22.488 2.573 1.00 0.00 N ATOM 1256 CA LYS A 81 -19.422 -23.102 2.820 1.00 0.00 C ATOM 1257 C LYS A 81 -18.342 -22.019 2.829 1.00 0.00 C ATOM 1258 O LYS A 81 -18.569 -20.906 2.356 1.00 0.00 O ATOM 1259 CB LYS A 81 -19.160 -24.223 1.812 1.00 0.00 C ATOM 1260 CG LYS A 81 -19.136 -25.588 2.504 1.00 0.00 C ATOM 1261 CD LYS A 81 -17.926 -25.710 3.433 1.00 0.00 C ATOM 1262 CE LYS A 81 -17.864 -27.099 4.072 1.00 0.00 C ATOM 1263 NZ LYS A 81 -16.510 -27.678 3.924 1.00 0.00 N ATOM 0 H LYS A 81 -20.866 -22.182 1.612 1.00 0.00 H new ATOM 0 HA LYS A 81 -19.407 -23.576 3.801 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -19.933 -24.214 1.044 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -18.209 -24.050 1.309 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -20.054 -25.726 3.076 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -19.105 -26.379 1.755 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -17.011 -25.523 2.871 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -17.983 -24.950 4.212 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -18.124 -27.032 5.128 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -18.599 -27.754 3.604 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -16.486 -28.620 4.363 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -16.276 -27.760 2.914 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -15.815 -27.061 4.391 1.00 0.00 H new ATOM 1277 N SER A 82 -17.190 -22.381 3.374 1.00 0.00 N ATOM 1278 CA SER A 82 -16.074 -21.454 3.452 1.00 0.00 C ATOM 1279 C SER A 82 -15.209 -21.570 2.195 1.00 0.00 C ATOM 1280 O SER A 82 -14.918 -22.674 1.737 1.00 0.00 O ATOM 1281 CB SER A 82 -15.231 -21.710 4.702 1.00 0.00 C ATOM 1282 OG SER A 82 -15.407 -20.692 5.683 1.00 0.00 O ATOM 0 H SER A 82 -17.005 -23.304 3.766 1.00 0.00 H new ATOM 0 HA SER A 82 -16.474 -20.442 3.518 1.00 0.00 H new ATOM 0 HB2 SER A 82 -15.501 -22.676 5.129 1.00 0.00 H new ATOM 0 HB3 SER A 82 -14.179 -21.767 4.424 1.00 0.00 H new ATOM 0 HG SER A 82 -14.853 -20.893 6.466 1.00 0.00 H new ATOM 1288 N GLU A 83 -14.822 -20.415 1.673 1.00 0.00 N ATOM 1289 CA GLU A 83 -13.996 -20.374 0.478 1.00 0.00 C ATOM 1290 C GLU A 83 -13.112 -19.125 0.487 1.00 0.00 C ATOM 1291 O GLU A 83 -11.887 -19.226 0.442 1.00 0.00 O ATOM 1292 CB GLU A 83 -14.857 -20.427 -0.785 1.00 0.00 C ATOM 1293 CG GLU A 83 -14.002 -20.726 -2.019 1.00 0.00 C ATOM 1294 CD GLU A 83 -14.625 -21.841 -2.861 1.00 0.00 C ATOM 1295 OE1 GLU A 83 -15.657 -21.556 -3.506 1.00 0.00 O ATOM 1296 OE2 GLU A 83 -14.055 -22.953 -2.840 1.00 0.00 O ATOM 0 H GLU A 83 -15.065 -19.501 2.055 1.00 0.00 H new ATOM 0 HA GLU A 83 -13.351 -21.252 0.475 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -15.624 -21.194 -0.675 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -15.374 -19.476 -0.918 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -13.900 -19.824 -2.622 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -12.999 -21.017 -1.709 1.00 0.00 H new ATOM 1303 N GLU A 84 -13.768 -17.975 0.546 1.00 0.00 N ATOM 1304 CA GLU A 84 -13.057 -16.708 0.562 1.00 0.00 C ATOM 1305 C GLU A 84 -13.778 -15.706 1.467 1.00 0.00 C ATOM 1306 O GLU A 84 -14.972 -15.462 1.302 1.00 0.00 O ATOM 1307 CB GLU A 84 -12.898 -16.151 -0.854 1.00 0.00 C ATOM 1308 CG GLU A 84 -11.830 -16.925 -1.631 1.00 0.00 C ATOM 1309 CD GLU A 84 -11.930 -16.641 -3.131 1.00 0.00 C ATOM 1310 OE1 GLU A 84 -11.779 -15.455 -3.495 1.00 0.00 O ATOM 1311 OE2 GLU A 84 -12.154 -17.616 -3.880 1.00 0.00 O ATOM 0 H GLU A 84 -14.784 -17.894 0.583 1.00 0.00 H new ATOM 0 HA GLU A 84 -12.059 -16.879 0.965 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -13.850 -16.210 -1.381 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -12.625 -15.097 -0.806 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -10.840 -16.647 -1.270 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -11.947 -17.994 -1.451 1.00 0.00 H new ATOM 1318 N GLU A 85 -13.021 -15.153 2.403 1.00 0.00 N ATOM 1319 CA GLU A 85 -13.573 -14.183 3.334 1.00 0.00 C ATOM 1320 C GLU A 85 -13.720 -12.820 2.656 1.00 0.00 C ATOM 1321 O GLU A 85 -14.003 -12.745 1.461 1.00 0.00 O ATOM 1322 CB GLU A 85 -12.709 -14.079 4.593 1.00 0.00 C ATOM 1323 CG GLU A 85 -12.286 -15.464 5.084 1.00 0.00 C ATOM 1324 CD GLU A 85 -11.815 -15.410 6.539 1.00 0.00 C ATOM 1325 OE1 GLU A 85 -11.022 -14.493 6.845 1.00 0.00 O ATOM 1326 OE2 GLU A 85 -12.259 -16.286 7.312 1.00 0.00 O ATOM 0 H GLU A 85 -12.031 -15.358 2.537 1.00 0.00 H new ATOM 0 HA GLU A 85 -14.563 -14.523 3.639 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -11.824 -13.478 4.382 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -13.264 -13.565 5.378 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -13.123 -16.157 4.994 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -11.485 -15.849 4.453 1.00 0.00 H new ATOM 1333 N ASN A 86 -13.522 -11.776 3.447 1.00 0.00 N ATOM 1334 CA ASN A 86 -13.630 -10.420 2.938 1.00 0.00 C ATOM 1335 C ASN A 86 -12.308 -10.021 2.277 1.00 0.00 C ATOM 1336 O ASN A 86 -11.247 -10.126 2.891 1.00 0.00 O ATOM 1337 CB ASN A 86 -13.911 -9.427 4.068 1.00 0.00 C ATOM 1338 CG ASN A 86 -15.144 -9.846 4.871 1.00 0.00 C ATOM 1339 OD1 ASN A 86 -14.914 -10.011 6.170 1.00 0.00 O flip ATOM 1340 ND2 ASN A 86 -16.234 -10.008 4.345 1.00 0.00 N flip ATOM 0 H ASN A 86 -13.287 -11.842 4.437 1.00 0.00 H new ATOM 0 HA ASN A 86 -14.452 -10.394 2.222 1.00 0.00 H new ATOM 0 HB2 ASN A 86 -13.046 -9.367 4.728 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -14.064 -8.431 3.652 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -16.342 -9.864 3.341 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -17.036 -10.287 4.910 1.00 0.00 H new ATOM 1347 N LEU A 87 -12.416 -9.573 1.035 1.00 0.00 N ATOM 1348 CA LEU A 87 -11.243 -9.159 0.284 1.00 0.00 C ATOM 1349 C LEU A 87 -11.529 -7.823 -0.404 1.00 0.00 C ATOM 1350 O LEU A 87 -12.629 -7.285 -0.291 1.00 0.00 O ATOM 1351 CB LEU A 87 -10.804 -10.264 -0.677 1.00 0.00 C ATOM 1352 CG LEU A 87 -11.571 -11.584 -0.577 1.00 0.00 C ATOM 1353 CD1 LEU A 87 -11.536 -12.342 -1.906 1.00 0.00 C ATOM 1354 CD2 LEU A 87 -11.048 -12.436 0.582 1.00 0.00 C ATOM 0 H LEU A 87 -13.298 -9.488 0.530 1.00 0.00 H new ATOM 0 HA LEU A 87 -10.399 -8.999 0.954 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -10.896 -9.889 -1.696 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -9.747 -10.467 -0.507 1.00 0.00 H new ATOM 0 HG LEU A 87 -12.615 -11.356 -0.364 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -12.089 -13.276 -1.807 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -11.992 -11.732 -2.685 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -10.502 -12.559 -2.174 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -11.610 -13.369 0.631 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -9.992 -12.657 0.424 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -11.168 -11.890 1.518 1.00 0.00 H new ATOM 1366 N PHE A 88 -10.519 -7.325 -1.102 1.00 0.00 N ATOM 1367 CA PHE A 88 -10.648 -6.062 -1.809 1.00 0.00 C ATOM 1368 C PHE A 88 -9.510 -5.878 -2.815 1.00 0.00 C ATOM 1369 O PHE A 88 -8.383 -6.304 -2.568 1.00 0.00 O ATOM 1370 CB PHE A 88 -10.569 -4.952 -0.759 1.00 0.00 C ATOM 1371 CG PHE A 88 -9.333 -5.031 0.139 1.00 0.00 C ATOM 1372 CD1 PHE A 88 -8.114 -4.677 -0.350 1.00 0.00 C ATOM 1373 CD2 PHE A 88 -9.453 -5.456 1.425 1.00 0.00 C ATOM 1374 CE1 PHE A 88 -6.966 -4.751 0.484 1.00 0.00 C ATOM 1375 CE2 PHE A 88 -8.305 -5.529 2.258 1.00 0.00 C ATOM 1376 CZ PHE A 88 -7.086 -5.175 1.770 1.00 0.00 C ATOM 0 H PHE A 88 -9.607 -7.773 -1.193 1.00 0.00 H new ATOM 0 HA PHE A 88 -11.589 -6.037 -2.358 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -10.577 -3.986 -1.265 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -11.462 -4.992 -0.135 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -8.019 -4.340 -1.372 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -10.421 -5.738 1.813 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -5.998 -4.470 0.096 1.00 0.00 H new ATOM 0 HE2 PHE A 88 -8.400 -5.866 3.280 1.00 0.00 H new ATOM 0 HZ PHE A 88 -6.213 -5.231 2.404 1.00 0.00 H new ATOM 1386 N GLU A 89 -9.845 -5.243 -3.929 1.00 0.00 N ATOM 1387 CA GLU A 89 -8.866 -4.997 -4.974 1.00 0.00 C ATOM 1388 C GLU A 89 -8.346 -3.561 -4.887 1.00 0.00 C ATOM 1389 O GLU A 89 -9.123 -2.627 -4.690 1.00 0.00 O ATOM 1390 CB GLU A 89 -9.454 -5.285 -6.356 1.00 0.00 C ATOM 1391 CG GLU A 89 -8.373 -5.221 -7.437 1.00 0.00 C ATOM 1392 CD GLU A 89 -8.746 -6.092 -8.638 1.00 0.00 C ATOM 1393 OE1 GLU A 89 -9.727 -5.728 -9.321 1.00 0.00 O ATOM 1394 OE2 GLU A 89 -8.041 -7.104 -8.845 1.00 0.00 O ATOM 0 H GLU A 89 -10.781 -4.891 -4.130 1.00 0.00 H new ATOM 0 HA GLU A 89 -8.027 -5.676 -4.825 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -9.918 -6.271 -6.359 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -10.239 -4.562 -6.579 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -8.237 -4.189 -7.760 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -7.421 -5.553 -7.024 1.00 0.00 H new ATOM 1401 N ILE A 90 -7.037 -3.428 -5.039 1.00 0.00 N ATOM 1402 CA ILE A 90 -6.405 -2.121 -4.981 1.00 0.00 C ATOM 1403 C ILE A 90 -5.538 -1.923 -6.226 1.00 0.00 C ATOM 1404 O ILE A 90 -4.507 -2.577 -6.380 1.00 0.00 O ATOM 1405 CB ILE A 90 -5.641 -1.954 -3.666 1.00 0.00 C ATOM 1406 CG1 ILE A 90 -6.583 -2.070 -2.466 1.00 0.00 C ATOM 1407 CG2 ILE A 90 -4.854 -0.642 -3.653 1.00 0.00 C ATOM 1408 CD1 ILE A 90 -5.795 -2.154 -1.157 1.00 0.00 C ATOM 0 H ILE A 90 -6.396 -4.204 -5.202 1.00 0.00 H new ATOM 0 HA ILE A 90 -7.158 -1.333 -4.988 1.00 0.00 H new ATOM 0 HB ILE A 90 -4.917 -2.765 -3.586 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -7.250 -1.209 -2.438 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -7.209 -2.955 -2.575 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -4.320 -0.547 -2.708 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -4.139 -0.638 -4.476 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -5.542 0.196 -3.767 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -6.488 -2.236 -0.320 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -5.147 -3.030 -1.178 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -5.188 -1.256 -1.039 1.00 0.00 H new ATOM 1420 N ILE A 91 -5.987 -1.018 -7.083 1.00 0.00 N ATOM 1421 CA ILE A 91 -5.265 -0.725 -8.309 1.00 0.00 C ATOM 1422 C ILE A 91 -4.236 0.374 -8.040 1.00 0.00 C ATOM 1423 O ILE A 91 -4.493 1.296 -7.267 1.00 0.00 O ATOM 1424 CB ILE A 91 -6.242 -0.389 -9.439 1.00 0.00 C ATOM 1425 CG1 ILE A 91 -7.387 -1.402 -9.492 1.00 0.00 C ATOM 1426 CG2 ILE A 91 -5.512 -0.277 -10.779 1.00 0.00 C ATOM 1427 CD1 ILE A 91 -8.740 -0.695 -9.602 1.00 0.00 C ATOM 0 H ILE A 91 -6.842 -0.478 -6.952 1.00 0.00 H new ATOM 0 HA ILE A 91 -4.714 -1.603 -8.645 1.00 0.00 H new ATOM 0 HB ILE A 91 -6.684 0.585 -9.231 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -7.250 -2.067 -10.345 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -7.369 -2.024 -8.597 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -6.229 -0.038 -11.565 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -4.762 0.511 -10.720 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -5.025 -1.225 -11.008 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -9.537 -1.438 -9.638 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -8.885 -0.049 -8.736 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -8.763 -0.094 -10.511 1.00 0.00 H new ATOM 1439 N THR A 92 -3.090 0.240 -8.693 1.00 0.00 N ATOM 1440 CA THR A 92 -2.020 1.211 -8.533 1.00 0.00 C ATOM 1441 C THR A 92 -1.897 2.079 -9.787 1.00 0.00 C ATOM 1442 O THR A 92 -2.658 1.913 -10.739 1.00 0.00 O ATOM 1443 CB THR A 92 -0.738 0.449 -8.193 1.00 0.00 C ATOM 1444 OG1 THR A 92 -0.418 -0.247 -9.395 1.00 0.00 O ATOM 1445 CG2 THR A 92 -0.972 -0.665 -7.170 1.00 0.00 C ATOM 0 H THR A 92 -2.879 -0.526 -9.333 1.00 0.00 H new ATOM 0 HA THR A 92 -2.231 1.902 -7.717 1.00 0.00 H new ATOM 0 HB THR A 92 0.006 1.146 -7.807 1.00 0.00 H new ATOM 0 HG1 THR A 92 0.478 -0.636 -9.319 1.00 0.00 H new ATOM 0 HG21 THR A 92 -0.030 -1.174 -6.964 1.00 0.00 H new ATOM 0 HG22 THR A 92 -1.361 -0.235 -6.247 1.00 0.00 H new ATOM 0 HG23 THR A 92 -1.691 -1.380 -7.569 1.00 0.00 H new ATOM 1453 N ALA A 93 -0.932 2.986 -9.746 1.00 0.00 N ATOM 1454 CA ALA A 93 -0.699 3.881 -10.867 1.00 0.00 C ATOM 1455 C ALA A 93 -0.235 3.067 -12.076 1.00 0.00 C ATOM 1456 O ALA A 93 -0.240 3.563 -13.202 1.00 0.00 O ATOM 1457 CB ALA A 93 0.315 4.953 -10.462 1.00 0.00 C ATOM 0 H ALA A 93 -0.303 3.120 -8.955 1.00 0.00 H new ATOM 0 HA ALA A 93 -1.620 4.392 -11.148 1.00 0.00 H new ATOM 0 HB1 ALA A 93 0.490 5.624 -11.303 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -0.075 5.522 -9.618 1.00 0.00 H new ATOM 0 HB3 ALA A 93 1.253 4.477 -10.176 1.00 0.00 H new ATOM 1463 N ASP A 94 0.154 1.830 -11.803 1.00 0.00 N ATOM 1464 CA ASP A 94 0.620 0.942 -12.854 1.00 0.00 C ATOM 1465 C ASP A 94 -0.539 0.058 -13.320 1.00 0.00 C ATOM 1466 O ASP A 94 -0.380 -0.747 -14.236 1.00 0.00 O ATOM 1467 CB ASP A 94 1.738 0.029 -12.349 1.00 0.00 C ATOM 1468 CG ASP A 94 3.129 0.339 -12.907 1.00 0.00 C ATOM 1469 OD1 ASP A 94 3.407 -0.131 -14.031 1.00 0.00 O ATOM 1470 OD2 ASP A 94 3.882 1.040 -12.197 1.00 0.00 O ATOM 0 H ASP A 94 0.156 1.422 -10.868 1.00 0.00 H new ATOM 0 HA ASP A 94 0.998 1.556 -13.671 1.00 0.00 H new ATOM 0 HB2 ASP A 94 1.777 0.094 -11.262 1.00 0.00 H new ATOM 0 HB3 ASP A 94 1.485 -1.002 -12.598 1.00 0.00 H new ATOM 1475 N GLU A 95 -1.678 0.238 -12.667 1.00 0.00 N ATOM 1476 CA GLU A 95 -2.862 -0.533 -13.003 1.00 0.00 C ATOM 1477 C GLU A 95 -2.789 -1.923 -12.367 1.00 0.00 C ATOM 1478 O GLU A 95 -3.679 -2.748 -12.565 1.00 0.00 O ATOM 1479 CB GLU A 95 -3.040 -0.633 -14.519 1.00 0.00 C ATOM 1480 CG GLU A 95 -2.648 0.677 -15.205 1.00 0.00 C ATOM 1481 CD GLU A 95 -3.415 0.861 -16.516 1.00 0.00 C ATOM 1482 OE1 GLU A 95 -3.620 -0.163 -17.202 1.00 0.00 O ATOM 1483 OE2 GLU A 95 -3.779 2.023 -16.802 1.00 0.00 O ATOM 0 H GLU A 95 -1.805 0.906 -11.907 1.00 0.00 H new ATOM 0 HA GLU A 95 -3.734 -0.016 -12.601 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -2.429 -1.448 -14.907 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -4.077 -0.873 -14.752 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -2.852 1.516 -14.539 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -1.576 0.681 -15.403 1.00 0.00 H new ATOM 1490 N VAL A 96 -1.719 -2.138 -11.615 1.00 0.00 N ATOM 1491 CA VAL A 96 -1.517 -3.414 -10.949 1.00 0.00 C ATOM 1492 C VAL A 96 -2.621 -3.622 -9.910 1.00 0.00 C ATOM 1493 O VAL A 96 -2.911 -2.725 -9.119 1.00 0.00 O ATOM 1494 CB VAL A 96 -0.112 -3.474 -10.347 1.00 0.00 C ATOM 1495 CG1 VAL A 96 0.164 -4.848 -9.733 1.00 0.00 C ATOM 1496 CG2 VAL A 96 0.947 -3.118 -11.393 1.00 0.00 C ATOM 0 H VAL A 96 -0.983 -1.451 -11.452 1.00 0.00 H new ATOM 0 HA VAL A 96 -1.585 -4.233 -11.665 1.00 0.00 H new ATOM 0 HB VAL A 96 -0.057 -2.734 -9.549 1.00 0.00 H new ATOM 0 HG11 VAL A 96 1.169 -4.863 -9.312 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -0.562 -5.047 -8.945 1.00 0.00 H new ATOM 0 HG13 VAL A 96 0.082 -5.614 -10.504 1.00 0.00 H new ATOM 0 HG21 VAL A 96 1.937 -3.168 -10.940 1.00 0.00 H new ATOM 0 HG22 VAL A 96 0.891 -3.824 -12.222 1.00 0.00 H new ATOM 0 HG23 VAL A 96 0.768 -2.109 -11.763 1.00 0.00 H new ATOM 1506 N HIS A 97 -3.207 -4.810 -9.946 1.00 0.00 N ATOM 1507 CA HIS A 97 -4.273 -5.147 -9.018 1.00 0.00 C ATOM 1508 C HIS A 97 -3.736 -6.093 -7.942 1.00 0.00 C ATOM 1509 O HIS A 97 -2.902 -6.951 -8.225 1.00 0.00 O ATOM 1510 CB HIS A 97 -5.481 -5.719 -9.762 1.00 0.00 C ATOM 1511 CG HIS A 97 -5.857 -4.950 -11.005 1.00 0.00 C ATOM 1512 ND1 HIS A 97 -7.031 -4.224 -11.111 1.00 0.00 N ATOM 1513 CD2 HIS A 97 -5.204 -4.800 -12.193 1.00 0.00 C ATOM 1514 CE1 HIS A 97 -7.072 -3.667 -12.313 1.00 0.00 C ATOM 1515 NE2 HIS A 97 -5.939 -4.026 -12.982 1.00 0.00 N ATOM 0 H HIS A 97 -2.964 -5.551 -10.603 1.00 0.00 H new ATOM 0 HA HIS A 97 -4.623 -4.244 -8.517 1.00 0.00 H new ATOM 0 HB2 HIS A 97 -5.270 -6.752 -10.037 1.00 0.00 H new ATOM 0 HB3 HIS A 97 -6.336 -5.737 -9.086 1.00 0.00 H new ATOM 0 HD2 HIS A 97 -4.250 -5.237 -12.449 1.00 0.00 H new ATOM 0 HE1 HIS A 97 -7.863 -3.039 -12.695 1.00 0.00 H new ATOM 0 HE2 HIS A 97 -5.696 -3.746 -13.932 1.00 0.00 H new ATOM 1523 N TYR A 98 -4.237 -5.904 -6.730 1.00 0.00 N ATOM 1524 CA TYR A 98 -3.819 -6.730 -5.610 1.00 0.00 C ATOM 1525 C TYR A 98 -5.012 -7.104 -4.729 1.00 0.00 C ATOM 1526 O TYR A 98 -5.727 -6.230 -4.242 1.00 0.00 O ATOM 1527 CB TYR A 98 -2.846 -5.875 -4.796 1.00 0.00 C ATOM 1528 CG TYR A 98 -1.480 -5.686 -5.457 1.00 0.00 C ATOM 1529 CD1 TYR A 98 -0.609 -6.752 -5.560 1.00 0.00 C ATOM 1530 CD2 TYR A 98 -1.118 -4.449 -5.951 1.00 0.00 C ATOM 1531 CE1 TYR A 98 0.677 -6.573 -6.183 1.00 0.00 C ATOM 1532 CE2 TYR A 98 0.169 -4.271 -6.574 1.00 0.00 C ATOM 1533 CZ TYR A 98 1.002 -5.342 -6.659 1.00 0.00 C ATOM 1534 OH TYR A 98 2.217 -5.174 -7.247 1.00 0.00 O ATOM 0 H TYR A 98 -4.929 -5.191 -6.499 1.00 0.00 H new ATOM 0 HA TYR A 98 -3.366 -7.656 -5.964 1.00 0.00 H new ATOM 0 HB2 TYR A 98 -3.294 -4.896 -4.625 1.00 0.00 H new ATOM 0 HB3 TYR A 98 -2.704 -6.336 -3.818 1.00 0.00 H new ATOM 0 HD1 TYR A 98 -0.892 -7.720 -5.173 1.00 0.00 H new ATOM 0 HD2 TYR A 98 -1.799 -3.615 -5.871 1.00 0.00 H new ATOM 0 HE1 TYR A 98 1.368 -7.399 -6.270 1.00 0.00 H new ATOM 0 HE2 TYR A 98 0.465 -3.309 -6.965 1.00 0.00 H new ATOM 0 HH TYR A 98 2.312 -4.244 -7.541 1.00 0.00 H new ATOM 1544 N PHE A 99 -5.189 -8.405 -4.549 1.00 0.00 N ATOM 1545 CA PHE A 99 -6.283 -8.906 -3.734 1.00 0.00 C ATOM 1546 C PHE A 99 -5.794 -9.293 -2.337 1.00 0.00 C ATOM 1547 O PHE A 99 -5.109 -10.301 -2.173 1.00 0.00 O ATOM 1548 CB PHE A 99 -6.829 -10.152 -4.435 1.00 0.00 C ATOM 1549 CG PHE A 99 -7.611 -9.853 -5.715 1.00 0.00 C ATOM 1550 CD1 PHE A 99 -8.811 -9.217 -5.647 1.00 0.00 C ATOM 1551 CD2 PHE A 99 -7.106 -10.224 -6.922 1.00 0.00 C ATOM 1552 CE1 PHE A 99 -9.537 -8.941 -6.835 1.00 0.00 C ATOM 1553 CE2 PHE A 99 -7.832 -9.947 -8.111 1.00 0.00 C ATOM 1554 CZ PHE A 99 -9.032 -9.312 -8.042 1.00 0.00 C ATOM 0 H PHE A 99 -4.593 -9.127 -4.954 1.00 0.00 H new ATOM 0 HA PHE A 99 -7.046 -8.136 -3.621 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -5.998 -10.815 -4.676 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -7.476 -10.691 -3.743 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -9.212 -8.922 -4.689 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -6.153 -10.729 -6.976 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -10.490 -8.436 -6.780 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -7.431 -10.241 -9.070 1.00 0.00 H new ATOM 0 HZ PHE A 99 -9.584 -9.102 -8.946 1.00 0.00 H new ATOM 1564 N LEU A 100 -6.165 -8.472 -1.366 1.00 0.00 N ATOM 1565 CA LEU A 100 -5.773 -8.716 0.011 1.00 0.00 C ATOM 1566 C LEU A 100 -7.014 -9.060 0.837 1.00 0.00 C ATOM 1567 O LEU A 100 -8.025 -8.363 0.766 1.00 0.00 O ATOM 1568 CB LEU A 100 -4.979 -7.529 0.561 1.00 0.00 C ATOM 1569 CG LEU A 100 -3.787 -7.071 -0.283 1.00 0.00 C ATOM 1570 CD1 LEU A 100 -2.999 -8.270 -0.815 1.00 0.00 C ATOM 1571 CD2 LEU A 100 -4.238 -6.137 -1.408 1.00 0.00 C ATOM 0 H LEU A 100 -6.733 -7.637 -1.506 1.00 0.00 H new ATOM 0 HA LEU A 100 -5.102 -9.573 0.069 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -5.660 -6.686 0.680 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -4.616 -7.789 1.555 1.00 0.00 H new ATOM 0 HG LEU A 100 -3.114 -6.502 0.358 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -2.158 -7.917 -1.411 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -2.628 -8.862 0.022 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -3.650 -8.887 -1.435 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -3.372 -5.826 -1.992 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -4.943 -6.660 -2.054 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -4.721 -5.258 -0.980 1.00 0.00 H new ATOM 1583 N GLN A 101 -6.897 -10.136 1.602 1.00 0.00 N ATOM 1584 CA GLN A 101 -7.996 -10.581 2.441 1.00 0.00 C ATOM 1585 C GLN A 101 -7.858 -10.002 3.850 1.00 0.00 C ATOM 1586 O GLN A 101 -6.777 -10.039 4.437 1.00 0.00 O ATOM 1587 CB GLN A 101 -8.071 -12.109 2.481 1.00 0.00 C ATOM 1588 CG GLN A 101 -9.225 -12.578 3.370 1.00 0.00 C ATOM 1589 CD GLN A 101 -8.863 -13.874 4.099 1.00 0.00 C ATOM 1590 OE1 GLN A 101 -8.511 -13.883 5.267 1.00 0.00 O ATOM 1591 NE2 GLN A 101 -8.970 -14.965 3.346 1.00 0.00 N ATOM 0 H GLN A 101 -6.057 -10.712 1.658 1.00 0.00 H new ATOM 0 HA GLN A 101 -8.928 -10.215 2.009 1.00 0.00 H new ATOM 0 HB2 GLN A 101 -8.204 -12.497 1.471 1.00 0.00 H new ATOM 0 HB3 GLN A 101 -7.131 -12.513 2.856 1.00 0.00 H new ATOM 0 HG2 GLN A 101 -9.467 -11.803 4.097 1.00 0.00 H new ATOM 0 HG3 GLN A 101 -10.116 -12.735 2.763 1.00 0.00 H new ATOM 0 HE21 GLN A 101 -9.271 -14.887 2.374 1.00 0.00 H new ATOM 0 HE22 GLN A 101 -8.752 -15.880 3.740 1.00 0.00 H new ATOM 1600 N ALA A 102 -8.967 -9.481 4.353 1.00 0.00 N ATOM 1601 CA ALA A 102 -8.983 -8.894 5.682 1.00 0.00 C ATOM 1602 C ALA A 102 -9.604 -9.888 6.666 1.00 0.00 C ATOM 1603 O ALA A 102 -10.670 -10.443 6.403 1.00 0.00 O ATOM 1604 CB ALA A 102 -9.736 -7.563 5.644 1.00 0.00 C ATOM 0 H ALA A 102 -9.862 -9.453 3.864 1.00 0.00 H new ATOM 0 HA ALA A 102 -7.969 -8.684 6.021 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -9.748 -7.123 6.641 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -9.238 -6.883 4.953 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -10.760 -7.733 5.311 1.00 0.00 H new ATOM 1610 N ALA A 103 -8.912 -10.082 7.779 1.00 0.00 N ATOM 1611 CA ALA A 103 -9.383 -10.999 8.803 1.00 0.00 C ATOM 1612 C ALA A 103 -10.896 -10.843 8.964 1.00 0.00 C ATOM 1613 O ALA A 103 -11.654 -11.761 8.655 1.00 0.00 O ATOM 1614 CB ALA A 103 -8.627 -10.738 10.108 1.00 0.00 C ATOM 0 H ALA A 103 -8.029 -9.620 7.994 1.00 0.00 H new ATOM 0 HA ALA A 103 -9.187 -12.032 8.514 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -8.980 -11.426 10.877 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -7.560 -10.890 9.947 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -8.802 -9.712 10.431 1.00 0.00 H new ATOM 1620 N THR A 104 -11.290 -9.674 9.448 1.00 0.00 N ATOM 1621 CA THR A 104 -12.700 -9.386 9.653 1.00 0.00 C ATOM 1622 C THR A 104 -13.235 -8.505 8.523 1.00 0.00 C ATOM 1623 O THR A 104 -12.461 -7.944 7.749 1.00 0.00 O ATOM 1624 CB THR A 104 -12.856 -8.758 11.040 1.00 0.00 C ATOM 1625 OG1 THR A 104 -12.453 -7.404 10.855 1.00 0.00 O ATOM 1626 CG2 THR A 104 -11.850 -9.312 12.051 1.00 0.00 C ATOM 0 H THR A 104 -10.658 -8.915 9.704 1.00 0.00 H new ATOM 0 HA THR A 104 -13.299 -10.296 9.623 1.00 0.00 H new ATOM 0 HB THR A 104 -13.869 -8.931 11.405 1.00 0.00 H new ATOM 0 HG1 THR A 104 -12.525 -6.922 11.705 1.00 0.00 H new ATOM 0 HG21 THR A 104 -12.004 -8.833 13.018 1.00 0.00 H new ATOM 0 HG22 THR A 104 -11.991 -10.388 12.153 1.00 0.00 H new ATOM 0 HG23 THR A 104 -10.837 -9.110 11.704 1.00 0.00 H new ATOM 1634 N PRO A 105 -14.590 -8.409 8.462 1.00 0.00 N ATOM 1635 CA PRO A 105 -15.238 -7.606 7.439 1.00 0.00 C ATOM 1636 C PRO A 105 -15.112 -6.114 7.752 1.00 0.00 C ATOM 1637 O PRO A 105 -15.454 -5.271 6.923 1.00 0.00 O ATOM 1638 CB PRO A 105 -16.679 -8.089 7.414 1.00 0.00 C ATOM 1639 CG PRO A 105 -16.900 -8.811 8.733 1.00 0.00 C ATOM 1640 CD PRO A 105 -15.538 -9.061 9.361 1.00 0.00 C ATOM 0 HA PRO A 105 -14.777 -7.721 6.458 1.00 0.00 H new ATOM 0 HB2 PRO A 105 -17.369 -7.252 7.306 1.00 0.00 H new ATOM 0 HB3 PRO A 105 -16.853 -8.756 6.570 1.00 0.00 H new ATOM 0 HG2 PRO A 105 -17.522 -8.211 9.397 1.00 0.00 H new ATOM 0 HG3 PRO A 105 -17.424 -9.753 8.570 1.00 0.00 H new ATOM 0 HD2 PRO A 105 -15.483 -8.643 10.366 1.00 0.00 H new ATOM 0 HD3 PRO A 105 -15.332 -10.128 9.448 1.00 0.00 H new ATOM 1648 N LYS A 106 -14.620 -5.833 8.949 1.00 0.00 N ATOM 1649 CA LYS A 106 -14.445 -4.457 9.382 1.00 0.00 C ATOM 1650 C LYS A 106 -13.104 -3.932 8.866 1.00 0.00 C ATOM 1651 O LYS A 106 -13.020 -2.804 8.381 1.00 0.00 O ATOM 1652 CB LYS A 106 -14.605 -4.348 10.900 1.00 0.00 C ATOM 1653 CG LYS A 106 -15.028 -2.934 11.306 1.00 0.00 C ATOM 1654 CD LYS A 106 -16.104 -2.975 12.394 1.00 0.00 C ATOM 1655 CE LYS A 106 -17.322 -2.143 11.990 1.00 0.00 C ATOM 1656 NZ LYS A 106 -18.572 -2.830 12.385 1.00 0.00 N ATOM 0 H LYS A 106 -14.337 -6.535 9.633 1.00 0.00 H new ATOM 0 HA LYS A 106 -15.222 -3.822 8.957 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -15.349 -5.067 11.244 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -13.665 -4.605 11.388 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -14.161 -2.381 11.667 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -15.407 -2.399 10.435 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -16.407 -4.007 12.573 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -15.694 -2.596 13.330 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -17.274 -1.162 12.464 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -17.316 -1.977 10.913 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -19.390 -2.252 12.104 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -18.623 -3.755 11.913 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -18.583 -2.966 13.416 1.00 0.00 H new ATOM 1670 N GLU A 107 -12.088 -4.773 8.989 1.00 0.00 N ATOM 1671 CA GLU A 107 -10.755 -4.408 8.542 1.00 0.00 C ATOM 1672 C GLU A 107 -10.762 -4.107 7.041 1.00 0.00 C ATOM 1673 O GLU A 107 -10.193 -3.110 6.602 1.00 0.00 O ATOM 1674 CB GLU A 107 -9.744 -5.507 8.875 1.00 0.00 C ATOM 1675 CG GLU A 107 -8.317 -4.955 8.887 1.00 0.00 C ATOM 1676 CD GLU A 107 -7.900 -4.542 10.300 1.00 0.00 C ATOM 1677 OE1 GLU A 107 -8.749 -3.936 10.988 1.00 0.00 O ATOM 1678 OE2 GLU A 107 -6.741 -4.843 10.660 1.00 0.00 O ATOM 0 H GLU A 107 -12.161 -5.707 9.392 1.00 0.00 H new ATOM 0 HA GLU A 107 -10.450 -3.506 9.073 1.00 0.00 H new ATOM 0 HB2 GLU A 107 -9.979 -5.939 9.848 1.00 0.00 H new ATOM 0 HB3 GLU A 107 -9.821 -6.311 8.142 1.00 0.00 H new ATOM 0 HG2 GLU A 107 -7.628 -5.710 8.507 1.00 0.00 H new ATOM 0 HG3 GLU A 107 -8.250 -4.097 8.219 1.00 0.00 H new ATOM 1685 N ARG A 108 -11.414 -4.989 6.297 1.00 0.00 N ATOM 1686 CA ARG A 108 -11.503 -4.830 4.855 1.00 0.00 C ATOM 1687 C ARG A 108 -11.925 -3.402 4.504 1.00 0.00 C ATOM 1688 O ARG A 108 -11.380 -2.800 3.579 1.00 0.00 O ATOM 1689 CB ARG A 108 -12.508 -5.815 4.254 1.00 0.00 C ATOM 1690 CG ARG A 108 -12.639 -5.611 2.743 1.00 0.00 C ATOM 1691 CD ARG A 108 -14.101 -5.406 2.342 1.00 0.00 C ATOM 1692 NE ARG A 108 -14.359 -3.972 2.084 1.00 0.00 N ATOM 1693 CZ ARG A 108 -15.582 -3.427 2.031 1.00 0.00 C ATOM 1694 NH1 ARG A 108 -16.666 -4.192 2.217 1.00 0.00 N ATOM 1695 NH2 ARG A 108 -15.721 -2.116 1.792 1.00 0.00 N ATOM 0 H ARG A 108 -11.885 -5.815 6.665 1.00 0.00 H new ATOM 0 HA ARG A 108 -10.517 -5.034 4.437 1.00 0.00 H new ATOM 0 HB2 ARG A 108 -12.189 -6.837 4.460 1.00 0.00 H new ATOM 0 HB3 ARG A 108 -13.480 -5.683 4.728 1.00 0.00 H new ATOM 0 HG2 ARG A 108 -12.050 -4.747 2.437 1.00 0.00 H new ATOM 0 HG3 ARG A 108 -12.232 -6.476 2.219 1.00 0.00 H new ATOM 0 HD2 ARG A 108 -14.328 -5.991 1.450 1.00 0.00 H new ATOM 0 HD3 ARG A 108 -14.758 -5.765 3.134 1.00 0.00 H new ATOM 0 HE ARG A 108 -13.556 -3.360 1.937 1.00 0.00 H new ATOM 0 HH11 ARG A 108 -16.561 -5.190 2.399 1.00 0.00 H new ATOM 0 HH12 ARG A 108 -17.597 -3.776 2.177 1.00 0.00 H new ATOM 0 HH21 ARG A 108 -14.896 -1.533 1.650 1.00 0.00 H new ATOM 0 HH22 ARG A 108 -16.652 -1.701 1.752 1.00 0.00 H new ATOM 1709 N THR A 109 -12.892 -2.902 5.259 1.00 0.00 N ATOM 1710 CA THR A 109 -13.393 -1.556 5.039 1.00 0.00 C ATOM 1711 C THR A 109 -12.382 -0.522 5.537 1.00 0.00 C ATOM 1712 O THR A 109 -12.161 0.499 4.887 1.00 0.00 O ATOM 1713 CB THR A 109 -14.760 -1.444 5.716 1.00 0.00 C ATOM 1714 OG1 THR A 109 -15.682 -1.846 4.706 1.00 0.00 O ATOM 1715 CG2 THR A 109 -15.147 0.005 6.018 1.00 0.00 C ATOM 0 H THR A 109 -13.342 -3.405 6.024 1.00 0.00 H new ATOM 0 HA THR A 109 -13.523 -1.351 3.976 1.00 0.00 H new ATOM 0 HB THR A 109 -14.754 -2.019 6.642 1.00 0.00 H new ATOM 0 HG1 THR A 109 -16.595 -1.805 5.061 1.00 0.00 H new ATOM 0 HG21 THR A 109 -16.125 0.028 6.498 1.00 0.00 H new ATOM 0 HG22 THR A 109 -14.406 0.448 6.683 1.00 0.00 H new ATOM 0 HG23 THR A 109 -15.186 0.573 5.088 1.00 0.00 H new ATOM 1723 N GLU A 110 -11.794 -0.822 6.686 1.00 0.00 N ATOM 1724 CA GLU A 110 -10.811 0.069 7.279 1.00 0.00 C ATOM 1725 C GLU A 110 -9.616 0.241 6.340 1.00 0.00 C ATOM 1726 O GLU A 110 -9.255 1.363 5.989 1.00 0.00 O ATOM 1727 CB GLU A 110 -10.363 -0.444 8.649 1.00 0.00 C ATOM 1728 CG GLU A 110 -11.495 -0.334 9.673 1.00 0.00 C ATOM 1729 CD GLU A 110 -10.946 -0.013 11.065 1.00 0.00 C ATOM 1730 OE1 GLU A 110 -9.985 -0.703 11.469 1.00 0.00 O ATOM 1731 OE2 GLU A 110 -11.500 0.914 11.693 1.00 0.00 O ATOM 0 H GLU A 110 -11.979 -1.670 7.222 1.00 0.00 H new ATOM 0 HA GLU A 110 -11.275 1.044 7.427 1.00 0.00 H new ATOM 0 HB2 GLU A 110 -10.043 -1.483 8.566 1.00 0.00 H new ATOM 0 HB3 GLU A 110 -9.501 0.129 8.992 1.00 0.00 H new ATOM 0 HG2 GLU A 110 -12.194 0.444 9.366 1.00 0.00 H new ATOM 0 HG3 GLU A 110 -12.053 -1.270 9.705 1.00 0.00 H new ATOM 1738 N TRP A 111 -9.035 -0.888 5.960 1.00 0.00 N ATOM 1739 CA TRP A 111 -7.888 -0.876 5.069 1.00 0.00 C ATOM 1740 C TRP A 111 -8.188 0.095 3.925 1.00 0.00 C ATOM 1741 O TRP A 111 -7.481 1.084 3.743 1.00 0.00 O ATOM 1742 CB TRP A 111 -7.556 -2.288 4.583 1.00 0.00 C ATOM 1743 CG TRP A 111 -6.415 -2.958 5.352 1.00 0.00 C ATOM 1744 CD1 TRP A 111 -6.488 -3.994 6.198 1.00 0.00 C ATOM 1745 CD2 TRP A 111 -5.019 -2.594 5.309 1.00 0.00 C ATOM 1746 NE1 TRP A 111 -5.246 -4.323 6.703 1.00 0.00 N ATOM 1747 CE2 TRP A 111 -4.324 -3.445 6.144 1.00 0.00 C ATOM 1748 CE3 TRP A 111 -4.365 -1.579 4.588 1.00 0.00 C ATOM 1749 CZ2 TRP A 111 -2.940 -3.368 6.338 1.00 0.00 C ATOM 1750 CZ3 TRP A 111 -2.982 -1.516 4.792 1.00 0.00 C ATOM 1751 CH2 TRP A 111 -2.268 -2.365 5.630 1.00 0.00 C ATOM 0 H TRP A 111 -9.338 -1.817 6.253 1.00 0.00 H new ATOM 0 HA TRP A 111 -6.996 -0.532 5.593 1.00 0.00 H new ATOM 0 HB2 TRP A 111 -8.449 -2.908 4.664 1.00 0.00 H new ATOM 0 HB3 TRP A 111 -7.292 -2.245 3.526 1.00 0.00 H new ATOM 0 HD1 TRP A 111 -7.403 -4.507 6.453 1.00 0.00 H new ATOM 0 HE1 TRP A 111 -5.042 -5.072 7.364 1.00 0.00 H new ATOM 0 HE3 TRP A 111 -4.889 -0.902 3.929 1.00 0.00 H new ATOM 0 HZ2 TRP A 111 -2.419 -4.046 6.998 1.00 0.00 H new ATOM 0 HZ3 TRP A 111 -2.430 -0.754 4.261 1.00 0.00 H new ATOM 0 HH2 TRP A 111 -1.199 -2.251 5.734 1.00 0.00 H new ATOM 1762 N ILE A 112 -9.239 -0.223 3.183 1.00 0.00 N ATOM 1763 CA ILE A 112 -9.642 0.608 2.061 1.00 0.00 C ATOM 1764 C ILE A 112 -9.508 2.082 2.450 1.00 0.00 C ATOM 1765 O ILE A 112 -8.681 2.802 1.892 1.00 0.00 O ATOM 1766 CB ILE A 112 -11.044 0.223 1.585 1.00 0.00 C ATOM 1767 CG1 ILE A 112 -10.984 -0.919 0.568 1.00 0.00 C ATOM 1768 CG2 ILE A 112 -11.790 1.441 1.036 1.00 0.00 C ATOM 1769 CD1 ILE A 112 -12.118 -1.919 0.799 1.00 0.00 C ATOM 0 H ILE A 112 -9.824 -1.045 3.337 1.00 0.00 H new ATOM 0 HA ILE A 112 -8.984 0.441 1.208 1.00 0.00 H new ATOM 0 HB ILE A 112 -11.608 -0.140 2.444 1.00 0.00 H new ATOM 0 HG12 ILE A 112 -11.051 -0.515 -0.442 1.00 0.00 H new ATOM 0 HG13 ILE A 112 -10.024 -1.429 0.645 1.00 0.00 H new ATOM 0 HG21 ILE A 112 -12.784 1.140 0.704 1.00 0.00 H new ATOM 0 HG22 ILE A 112 -11.881 2.195 1.818 1.00 0.00 H new ATOM 0 HG23 ILE A 112 -11.237 1.857 0.194 1.00 0.00 H new ATOM 0 HD11 ILE A 112 -12.052 -2.720 0.063 1.00 0.00 H new ATOM 0 HD12 ILE A 112 -12.034 -2.339 1.801 1.00 0.00 H new ATOM 0 HD13 ILE A 112 -13.077 -1.411 0.698 1.00 0.00 H new ATOM 1781 N LYS A 113 -10.333 2.487 3.404 1.00 0.00 N ATOM 1782 CA LYS A 113 -10.317 3.862 3.873 1.00 0.00 C ATOM 1783 C LYS A 113 -8.892 4.240 4.281 1.00 0.00 C ATOM 1784 O LYS A 113 -8.486 5.392 4.135 1.00 0.00 O ATOM 1785 CB LYS A 113 -11.348 4.060 4.987 1.00 0.00 C ATOM 1786 CG LYS A 113 -12.707 3.484 4.584 1.00 0.00 C ATOM 1787 CD LYS A 113 -13.792 4.563 4.622 1.00 0.00 C ATOM 1788 CE LYS A 113 -14.713 4.372 5.828 1.00 0.00 C ATOM 1789 NZ LYS A 113 -14.983 5.670 6.485 1.00 0.00 N ATOM 0 H LYS A 113 -11.017 1.887 3.865 1.00 0.00 H new ATOM 0 HA LYS A 113 -10.611 4.541 3.073 1.00 0.00 H new ATOM 0 HB2 LYS A 113 -11.000 3.576 5.900 1.00 0.00 H new ATOM 0 HB3 LYS A 113 -11.450 5.122 5.208 1.00 0.00 H new ATOM 0 HG2 LYS A 113 -12.644 3.061 3.581 1.00 0.00 H new ATOM 0 HG3 LYS A 113 -12.975 2.670 5.257 1.00 0.00 H new ATOM 0 HD2 LYS A 113 -13.328 5.548 4.666 1.00 0.00 H new ATOM 0 HD3 LYS A 113 -14.378 4.527 3.703 1.00 0.00 H new ATOM 0 HE2 LYS A 113 -15.651 3.918 5.508 1.00 0.00 H new ATOM 0 HE3 LYS A 113 -14.253 3.686 6.539 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 -15.610 5.522 7.302 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 -14.087 6.089 6.807 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 -15.442 6.313 5.808 1.00 0.00 H new ATOM 1803 N ALA A 114 -8.171 3.248 4.783 1.00 0.00 N ATOM 1804 CA ALA A 114 -6.799 3.463 5.212 1.00 0.00 C ATOM 1805 C ALA A 114 -5.943 3.835 4.000 1.00 0.00 C ATOM 1806 O ALA A 114 -5.261 4.859 4.009 1.00 0.00 O ATOM 1807 CB ALA A 114 -6.286 2.211 5.927 1.00 0.00 C ATOM 0 H ALA A 114 -8.511 2.294 4.902 1.00 0.00 H new ATOM 0 HA ALA A 114 -6.743 4.289 5.921 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -5.257 2.372 6.249 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -6.911 2.007 6.797 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -6.324 1.361 5.245 1.00 0.00 H new ATOM 1813 N ILE A 115 -6.005 2.984 2.987 1.00 0.00 N ATOM 1814 CA ILE A 115 -5.243 3.210 1.771 1.00 0.00 C ATOM 1815 C ILE A 115 -5.679 4.535 1.141 1.00 0.00 C ATOM 1816 O ILE A 115 -4.842 5.329 0.714 1.00 0.00 O ATOM 1817 CB ILE A 115 -5.368 2.011 0.829 1.00 0.00 C ATOM 1818 CG1 ILE A 115 -4.806 0.744 1.477 1.00 0.00 C ATOM 1819 CG2 ILE A 115 -4.712 2.304 -0.521 1.00 0.00 C ATOM 1820 CD1 ILE A 115 -5.819 -0.401 1.413 1.00 0.00 C ATOM 0 H ILE A 115 -6.572 2.136 2.983 1.00 0.00 H new ATOM 0 HA ILE A 115 -4.180 3.298 1.998 1.00 0.00 H new ATOM 0 HB ILE A 115 -6.427 1.833 0.640 1.00 0.00 H new ATOM 0 HG12 ILE A 115 -3.887 0.450 0.971 1.00 0.00 H new ATOM 0 HG13 ILE A 115 -4.547 0.947 2.516 1.00 0.00 H new ATOM 0 HG21 ILE A 115 -4.815 1.436 -1.172 1.00 0.00 H new ATOM 0 HG22 ILE A 115 -5.198 3.163 -0.983 1.00 0.00 H new ATOM 0 HG23 ILE A 115 -3.655 2.522 -0.372 1.00 0.00 H new ATOM 0 HD11 ILE A 115 -5.394 -1.289 1.880 1.00 0.00 H new ATOM 0 HD12 ILE A 115 -6.728 -0.113 1.941 1.00 0.00 H new ATOM 0 HD13 ILE A 115 -6.058 -0.618 0.372 1.00 0.00 H new ATOM 1832 N GLN A 116 -6.989 4.732 1.102 1.00 0.00 N ATOM 1833 CA GLN A 116 -7.546 5.947 0.531 1.00 0.00 C ATOM 1834 C GLN A 116 -6.992 7.176 1.255 1.00 0.00 C ATOM 1835 O GLN A 116 -6.553 8.131 0.616 1.00 0.00 O ATOM 1836 CB GLN A 116 -9.075 5.924 0.580 1.00 0.00 C ATOM 1837 CG GLN A 116 -9.627 4.662 -0.085 1.00 0.00 C ATOM 1838 CD GLN A 116 -10.577 5.016 -1.231 1.00 0.00 C ATOM 1839 OE1 GLN A 116 -11.556 4.135 -1.414 1.00 0.00 O flip ATOM 1840 NE2 GLN A 116 -10.430 6.024 -1.904 1.00 0.00 N flip ATOM 0 H GLN A 116 -7.680 4.071 1.456 1.00 0.00 H new ATOM 0 HA GLN A 116 -7.250 6.003 -0.516 1.00 0.00 H new ATOM 0 HB2 GLN A 116 -9.410 5.969 1.616 1.00 0.00 H new ATOM 0 HB3 GLN A 116 -9.472 6.807 0.078 1.00 0.00 H new ATOM 0 HG2 GLN A 116 -8.804 4.057 -0.464 1.00 0.00 H new ATOM 0 HG3 GLN A 116 -10.153 4.057 0.654 1.00 0.00 H new ATOM 0 HE21 GLN A 116 -9.656 6.659 -1.709 1.00 0.00 H new ATOM 0 HE22 GLN A 116 -11.082 6.231 -2.661 1.00 0.00 H new ATOM 1849 N MET A 117 -7.031 7.112 2.578 1.00 0.00 N ATOM 1850 CA MET A 117 -6.538 8.208 3.395 1.00 0.00 C ATOM 1851 C MET A 117 -5.117 8.601 2.986 1.00 0.00 C ATOM 1852 O MET A 117 -4.815 9.783 2.835 1.00 0.00 O ATOM 1853 CB MET A 117 -6.550 7.792 4.867 1.00 0.00 C ATOM 1854 CG MET A 117 -5.157 7.928 5.486 1.00 0.00 C ATOM 1855 SD MET A 117 -5.249 7.694 7.253 1.00 0.00 S ATOM 1856 CE MET A 117 -5.874 6.023 7.312 1.00 0.00 C ATOM 0 H MET A 117 -7.396 6.318 3.104 1.00 0.00 H new ATOM 0 HA MET A 117 -7.189 9.069 3.246 1.00 0.00 H new ATOM 0 HB2 MET A 117 -7.259 8.411 5.418 1.00 0.00 H new ATOM 0 HB3 MET A 117 -6.892 6.761 4.955 1.00 0.00 H new ATOM 0 HG2 MET A 117 -4.482 7.193 5.048 1.00 0.00 H new ATOM 0 HG3 MET A 117 -4.745 8.912 5.262 1.00 0.00 H new ATOM 0 HE1 MET A 117 -5.743 5.621 8.317 1.00 0.00 H new ATOM 0 HE2 MET A 117 -6.933 6.022 7.056 1.00 0.00 H new ATOM 0 HE3 MET A 117 -5.328 5.405 6.600 1.00 0.00 H new ATOM 1866 N ALA A 118 -4.282 7.586 2.818 1.00 0.00 N ATOM 1867 CA ALA A 118 -2.900 7.810 2.430 1.00 0.00 C ATOM 1868 C ALA A 118 -2.852 8.265 0.970 1.00 0.00 C ATOM 1869 O ALA A 118 -2.445 9.389 0.679 1.00 0.00 O ATOM 1870 CB ALA A 118 -2.088 6.536 2.670 1.00 0.00 C ATOM 0 H ALA A 118 -4.536 6.606 2.944 1.00 0.00 H new ATOM 0 HA ALA A 118 -2.455 8.599 3.037 1.00 0.00 H new ATOM 0 HB1 ALA A 118 -1.051 6.705 2.379 1.00 0.00 H new ATOM 0 HB2 ALA A 118 -2.129 6.272 3.727 1.00 0.00 H new ATOM 0 HB3 ALA A 118 -2.504 5.722 2.076 1.00 0.00 H new ATOM 1876 N SER A 119 -3.273 7.369 0.090 1.00 0.00 N ATOM 1877 CA SER A 119 -3.284 7.664 -1.332 1.00 0.00 C ATOM 1878 C SER A 119 -3.834 9.072 -1.571 1.00 0.00 C ATOM 1879 O SER A 119 -3.364 9.783 -2.457 1.00 0.00 O ATOM 1880 CB SER A 119 -4.112 6.633 -2.103 1.00 0.00 C ATOM 1881 OG SER A 119 -5.464 6.591 -1.654 1.00 0.00 O ATOM 0 H SER A 119 -3.609 6.438 0.335 1.00 0.00 H new ATOM 0 HA SER A 119 -2.259 7.614 -1.699 1.00 0.00 H new ATOM 0 HB2 SER A 119 -4.090 6.872 -3.166 1.00 0.00 H new ATOM 0 HB3 SER A 119 -3.661 5.647 -1.989 1.00 0.00 H new ATOM 0 HG SER A 119 -5.491 6.276 -0.726 1.00 0.00 H new ATOM 1887 N ARG A 120 -4.821 9.431 -0.764 1.00 0.00 N ATOM 1888 CA ARG A 120 -5.440 10.741 -0.875 1.00 0.00 C ATOM 1889 C ARG A 120 -4.463 11.830 -0.427 1.00 0.00 C ATOM 1890 O ARG A 120 -4.301 12.842 -1.107 1.00 0.00 O ATOM 1891 CB ARG A 120 -6.710 10.825 -0.027 1.00 0.00 C ATOM 1892 CG ARG A 120 -7.897 10.187 -0.752 1.00 0.00 C ATOM 1893 CD ARG A 120 -8.373 11.071 -1.906 1.00 0.00 C ATOM 1894 NE ARG A 120 -9.649 10.551 -2.448 1.00 0.00 N ATOM 1895 CZ ARG A 120 -10.826 10.642 -1.816 1.00 0.00 C ATOM 1896 NH1 ARG A 120 -10.898 11.232 -0.615 1.00 0.00 N ATOM 1897 NH2 ARG A 120 -11.932 10.142 -2.384 1.00 0.00 N ATOM 0 H ARG A 120 -5.208 8.837 -0.030 1.00 0.00 H new ATOM 0 HA ARG A 120 -5.705 10.894 -1.921 1.00 0.00 H new ATOM 0 HB2 ARG A 120 -6.549 10.322 0.926 1.00 0.00 H new ATOM 0 HB3 ARG A 120 -6.934 11.868 0.197 1.00 0.00 H new ATOM 0 HG2 ARG A 120 -7.611 9.207 -1.134 1.00 0.00 H new ATOM 0 HG3 ARG A 120 -8.715 10.029 -0.049 1.00 0.00 H new ATOM 0 HD2 ARG A 120 -8.506 12.096 -1.559 1.00 0.00 H new ATOM 0 HD3 ARG A 120 -7.618 11.096 -2.692 1.00 0.00 H new ATOM 0 HE ARG A 120 -9.630 10.095 -3.360 1.00 0.00 H new ATOM 0 HH11 ARG A 120 -10.056 11.612 -0.182 1.00 0.00 H new ATOM 0 HH12 ARG A 120 -11.795 11.301 -0.134 1.00 0.00 H new ATOM 0 HH21 ARG A 120 -11.877 9.692 -3.298 1.00 0.00 H new ATOM 0 HH22 ARG A 120 -12.829 10.211 -1.903 1.00 0.00 H new ATOM 1911 N THR A 121 -3.836 11.584 0.714 1.00 0.00 N ATOM 1912 CA THR A 121 -2.879 12.531 1.261 1.00 0.00 C ATOM 1913 C THR A 121 -3.373 13.965 1.059 1.00 0.00 C ATOM 1914 O THR A 121 -3.098 14.581 0.030 1.00 0.00 O ATOM 1915 CB THR A 121 -1.521 12.259 0.612 1.00 0.00 C ATOM 1916 OG1 THR A 121 -0.805 13.479 0.779 1.00 0.00 O ATOM 1917 CG2 THR A 121 -1.620 12.090 -0.905 1.00 0.00 C ATOM 0 H THR A 121 -3.972 10.743 1.275 1.00 0.00 H new ATOM 0 HA THR A 121 -2.771 12.407 2.338 1.00 0.00 H new ATOM 0 HB THR A 121 -1.084 11.361 1.049 1.00 0.00 H new ATOM 0 HG1 THR A 121 0.089 13.390 0.387 1.00 0.00 H new ATOM 0 HG21 THR A 121 -0.628 11.899 -1.315 1.00 0.00 H new ATOM 0 HG22 THR A 121 -2.276 11.251 -1.136 1.00 0.00 H new ATOM 0 HG23 THR A 121 -2.026 13.000 -1.347 1.00 0.00 H new ATOM 1925 N GLY A 122 -4.093 14.455 2.057 1.00 0.00 N ATOM 1926 CA GLY A 122 -4.627 15.806 2.002 1.00 0.00 C ATOM 1927 C GLY A 122 -3.635 16.761 1.337 1.00 0.00 C ATOM 1928 O GLY A 122 -4.018 17.578 0.501 1.00 0.00 O ATOM 0 H GLY A 122 -4.319 13.941 2.909 1.00 0.00 H new ATOM 0 HA2 GLY A 122 -5.566 15.807 1.448 1.00 0.00 H new ATOM 0 HA3 GLY A 122 -4.851 16.153 3.010 1.00 0.00 H new ATOM 1932 N LYS A 123 -2.377 16.628 1.733 1.00 0.00 N ATOM 1933 CA LYS A 123 -1.327 17.469 1.186 1.00 0.00 C ATOM 1934 C LYS A 123 -1.536 18.910 1.656 1.00 0.00 C ATOM 1935 O LYS A 123 -0.835 19.383 2.550 1.00 0.00 O ATOM 1936 CB LYS A 123 -1.261 17.322 -0.336 1.00 0.00 C ATOM 1937 CG LYS A 123 0.178 17.461 -0.838 1.00 0.00 C ATOM 1938 CD LYS A 123 0.832 16.089 -1.013 1.00 0.00 C ATOM 1939 CE LYS A 123 1.507 15.974 -2.381 1.00 0.00 C ATOM 1940 NZ LYS A 123 0.502 15.706 -3.434 1.00 0.00 N ATOM 0 H LYS A 123 -2.062 15.950 2.427 1.00 0.00 H new ATOM 0 HA LYS A 123 -0.353 17.151 1.557 1.00 0.00 H new ATOM 0 HB2 LYS A 123 -1.660 16.351 -0.629 1.00 0.00 H new ATOM 0 HB3 LYS A 123 -1.889 18.079 -0.806 1.00 0.00 H new ATOM 0 HG2 LYS A 123 0.186 17.995 -1.788 1.00 0.00 H new ATOM 0 HG3 LYS A 123 0.757 18.057 -0.133 1.00 0.00 H new ATOM 0 HD2 LYS A 123 1.569 15.930 -0.225 1.00 0.00 H new ATOM 0 HD3 LYS A 123 0.080 15.307 -0.908 1.00 0.00 H new ATOM 0 HE2 LYS A 123 2.043 16.896 -2.607 1.00 0.00 H new ATOM 0 HE3 LYS A 123 2.246 15.173 -2.362 1.00 0.00 H new ATOM 0 HZ1 LYS A 123 0.977 15.631 -4.356 1.00 0.00 H new ATOM 0 HZ2 LYS A 123 0.009 14.814 -3.225 1.00 0.00 H new ATOM 0 HZ3 LYS A 123 -0.187 16.484 -3.462 1.00 0.00 H new ATOM 1954 N SER A 124 -2.504 19.567 1.034 1.00 0.00 N ATOM 1955 CA SER A 124 -2.814 20.944 1.378 1.00 0.00 C ATOM 1956 C SER A 124 -3.430 21.008 2.777 1.00 0.00 C ATOM 1957 O SER A 124 -4.305 20.211 3.111 1.00 0.00 O ATOM 1958 CB SER A 124 -3.763 21.567 0.352 1.00 0.00 C ATOM 1959 OG SER A 124 -3.268 21.443 -0.978 1.00 0.00 O ATOM 0 H SER A 124 -3.084 19.171 0.294 1.00 0.00 H new ATOM 0 HA SER A 124 -1.886 21.516 1.370 1.00 0.00 H new ATOM 0 HB2 SER A 124 -4.739 21.086 0.422 1.00 0.00 H new ATOM 0 HB3 SER A 124 -3.910 22.621 0.587 1.00 0.00 H new ATOM 0 HG SER A 124 -3.903 21.851 -1.603 1.00 0.00 H new ATOM 1965 N GLY A 125 -2.947 21.964 3.557 1.00 0.00 N ATOM 1966 CA GLY A 125 -3.439 22.143 4.913 1.00 0.00 C ATOM 1967 C GLY A 125 -2.828 23.388 5.558 1.00 0.00 C ATOM 1968 O GLY A 125 -1.992 24.058 4.954 1.00 0.00 O ATOM 0 H GLY A 125 -2.220 22.623 3.276 1.00 0.00 H new ATOM 0 HA2 GLY A 125 -4.525 22.231 4.901 1.00 0.00 H new ATOM 0 HA3 GLY A 125 -3.197 21.264 5.510 1.00 0.00 H new ATOM 1972 N PRO A 126 -3.280 23.667 6.810 1.00 0.00 N ATOM 1973 CA PRO A 126 -2.787 24.820 7.544 1.00 0.00 C ATOM 1974 C PRO A 126 -1.373 24.570 8.073 1.00 0.00 C ATOM 1975 O PRO A 126 -0.926 23.426 8.144 1.00 0.00 O ATOM 1976 CB PRO A 126 -3.804 25.047 8.651 1.00 0.00 C ATOM 1977 CG PRO A 126 -4.574 23.743 8.782 1.00 0.00 C ATOM 1978 CD PRO A 126 -4.269 22.896 7.557 1.00 0.00 C ATOM 0 HA PRO A 126 -2.694 25.708 6.919 1.00 0.00 H new ATOM 0 HB2 PRO A 126 -3.311 25.305 9.588 1.00 0.00 H new ATOM 0 HB3 PRO A 126 -4.472 25.872 8.405 1.00 0.00 H new ATOM 0 HG2 PRO A 126 -4.283 23.218 9.691 1.00 0.00 H new ATOM 0 HG3 PRO A 126 -5.644 23.937 8.855 1.00 0.00 H new ATOM 0 HD2 PRO A 126 -3.878 21.918 7.839 1.00 0.00 H new ATOM 0 HD3 PRO A 126 -5.166 22.721 6.963 1.00 0.00 H new ATOM 1986 N SER A 127 -0.708 25.659 8.431 1.00 0.00 N ATOM 1987 CA SER A 127 0.646 25.572 8.951 1.00 0.00 C ATOM 1988 C SER A 127 0.752 26.348 10.266 1.00 0.00 C ATOM 1989 O SER A 127 0.213 27.446 10.387 1.00 0.00 O ATOM 1990 CB SER A 127 1.661 26.103 7.938 1.00 0.00 C ATOM 1991 OG SER A 127 2.877 25.360 7.960 1.00 0.00 O ATOM 0 H SER A 127 -1.082 26.606 8.371 1.00 0.00 H new ATOM 0 HA SER A 127 0.874 24.522 9.136 1.00 0.00 H new ATOM 0 HB2 SER A 127 1.230 26.063 6.938 1.00 0.00 H new ATOM 0 HB3 SER A 127 1.872 27.151 8.152 1.00 0.00 H new ATOM 0 HG SER A 127 3.498 25.729 7.298 1.00 0.00 H new ATOM 1997 N SER A 128 1.451 25.745 11.216 1.00 0.00 N ATOM 1998 CA SER A 128 1.635 26.366 12.517 1.00 0.00 C ATOM 1999 C SER A 128 2.868 25.779 13.208 1.00 0.00 C ATOM 2000 O SER A 128 2.768 24.780 13.918 1.00 0.00 O ATOM 2001 CB SER A 128 0.396 26.183 13.396 1.00 0.00 C ATOM 2002 OG SER A 128 0.651 26.523 14.756 1.00 0.00 O ATOM 0 H SER A 128 1.897 24.833 11.111 1.00 0.00 H new ATOM 0 HA SER A 128 1.785 27.435 12.367 1.00 0.00 H new ATOM 0 HB2 SER A 128 -0.415 26.803 13.013 1.00 0.00 H new ATOM 0 HB3 SER A 128 0.060 25.148 13.338 1.00 0.00 H new ATOM 0 HG SER A 128 -0.165 26.394 15.284 1.00 0.00 H new ATOM 2008 N GLY A 129 4.001 26.424 12.975 1.00 0.00 N ATOM 2009 CA GLY A 129 5.251 25.978 13.566 1.00 0.00 C ATOM 2010 C GLY A 129 5.714 26.941 14.662 1.00 0.00 C ATOM 2011 O GLY A 129 5.174 26.936 15.766 1.00 0.00 O ATOM 0 H GLY A 129 4.080 27.252 12.385 1.00 0.00 H new ATOM 0 HA2 GLY A 129 5.124 24.980 13.984 1.00 0.00 H new ATOM 0 HA3 GLY A 129 6.017 25.905 12.794 1.00 0.00 H new TER 2015 GLY A 129