USER MOD reduce.3.24.130724 H: found=0, std=0, add=514, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 512 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 GLY N :NH3+ -114:sc= 0.0502 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 MET CE :methyl -158:sc= -0.126 (180deg=-0.69) USER MOD Single : A 12 LYS NZ :NH3+ -146:sc= 1.21 (180deg=0.811) USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 GLN :FLIP amide:sc= -0.263 F(o=-2.3!,f=-0.26) USER MOD Single : A 19 GLN : amide:sc= 0.954 K(o=0.95,f=-0.15) USER MOD Single : A 21 GLN : amide:sc= 1.22 K(o=1.2,f=-0.022) USER MOD Single : A 26 LYS NZ :NH3+ -170:sc= -2.01! (180deg=-2.43!) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 ASN : amide:sc= 0.104 X(o=0.1,f=-0.29) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 SER OG : rot 180:sc= -0.153 USER MOD Single : A 45 ASN : amide:sc= -0.335 K(o=-0.34,f=-6!) USER MOD Single : A 46 SER OG : rot 180:sc= 0.0714 USER MOD Single : A 47 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 48 ASN : amide:sc= -0.376 X(o=-0.38,f=0) USER MOD Single : A 49 LYS NZ :NH3+ -124:sc= 0.192 (180deg=0) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 180:sc= 0.0208 USER MOD Single : A 56 ASN : amide:sc= -0.0242 K(o=-0.024,f=-1.1) USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 ASN : amide:sc= 0 K(o=0,f=-0.55) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 3.195 -14.481 -15.869 1.00 0.00 N ATOM 2 CA GLY A 1 3.992 -13.353 -15.337 1.00 0.00 C ATOM 3 C GLY A 1 5.121 -13.829 -14.450 1.00 0.00 C ATOM 4 O GLY A 1 5.082 -14.946 -13.927 1.00 0.00 O ATOM 0 H1 GLY A 1 3.314 -14.534 -16.901 1.00 0.00 H new ATOM 0 H2 GLY A 1 3.519 -15.370 -15.437 1.00 0.00 H new ATOM 0 H3 GLY A 1 2.191 -14.333 -15.644 1.00 0.00 H new ATOM 0 HA2 GLY A 1 4.401 -12.775 -16.166 1.00 0.00 H new ATOM 0 HA3 GLY A 1 3.343 -12.685 -14.771 1.00 0.00 H new ATOM 8 N SER A 2 6.127 -12.990 -14.277 1.00 0.00 N ATOM 9 CA SER A 2 7.276 -13.339 -13.465 1.00 0.00 C ATOM 10 C SER A 2 7.189 -12.642 -12.109 1.00 0.00 C ATOM 11 O SER A 2 7.412 -11.435 -12.003 1.00 0.00 O ATOM 12 CB SER A 2 8.569 -12.953 -14.192 1.00 0.00 C ATOM 13 OG SER A 2 9.715 -13.358 -13.466 1.00 0.00 O ATOM 0 H SER A 2 6.170 -12.059 -14.691 1.00 0.00 H new ATOM 0 HA SER A 2 7.283 -14.416 -13.299 1.00 0.00 H new ATOM 0 HB2 SER A 2 8.583 -13.412 -15.180 1.00 0.00 H new ATOM 0 HB3 SER A 2 8.595 -11.874 -14.342 1.00 0.00 H new ATOM 0 HG SER A 2 10.522 -13.098 -13.957 1.00 0.00 H new ATOM 19 N MET A 3 6.842 -13.402 -11.081 1.00 0.00 N ATOM 20 CA MET A 3 6.722 -12.860 -9.735 1.00 0.00 C ATOM 21 C MET A 3 7.534 -13.695 -8.759 1.00 0.00 C ATOM 22 O MET A 3 7.056 -14.714 -8.259 1.00 0.00 O ATOM 23 CB MET A 3 5.256 -12.821 -9.292 1.00 0.00 C ATOM 24 CG MET A 3 4.389 -11.875 -10.108 1.00 0.00 C ATOM 25 SD MET A 3 2.649 -11.930 -9.630 1.00 0.00 S ATOM 26 CE MET A 3 2.234 -13.620 -10.060 1.00 0.00 C ATOM 0 H MET A 3 6.638 -14.399 -11.153 1.00 0.00 H new ATOM 0 HA MET A 3 7.109 -11.841 -9.743 1.00 0.00 H new ATOM 0 HB2 MET A 3 4.840 -13.826 -9.358 1.00 0.00 H new ATOM 0 HB3 MET A 3 5.211 -12.525 -8.244 1.00 0.00 H new ATOM 0 HG2 MET A 3 4.761 -10.857 -9.991 1.00 0.00 H new ATOM 0 HG3 MET A 3 4.479 -12.128 -11.164 1.00 0.00 H new ATOM 0 HE1 MET A 3 1.156 -13.706 -10.200 1.00 0.00 H new ATOM 0 HE2 MET A 3 2.743 -13.896 -10.983 1.00 0.00 H new ATOM 0 HE3 MET A 3 2.550 -14.287 -9.258 1.00 0.00 H new ATOM 36 N ALA A 4 8.766 -13.280 -8.514 1.00 0.00 N ATOM 37 CA ALA A 4 9.635 -13.985 -7.583 1.00 0.00 C ATOM 38 C ALA A 4 9.433 -13.469 -6.164 1.00 0.00 C ATOM 39 O ALA A 4 8.867 -14.159 -5.316 1.00 0.00 O ATOM 40 CB ALA A 4 11.091 -13.847 -7.999 1.00 0.00 C ATOM 0 H ALA A 4 9.188 -12.458 -8.946 1.00 0.00 H new ATOM 0 HA ALA A 4 9.371 -15.042 -7.604 1.00 0.00 H new ATOM 0 HB1 ALA A 4 11.724 -14.381 -7.290 1.00 0.00 H new ATOM 0 HB2 ALA A 4 11.226 -14.268 -8.995 1.00 0.00 H new ATOM 0 HB3 ALA A 4 11.368 -12.793 -8.010 1.00 0.00 H new ATOM 46 N GLU A 5 9.891 -12.249 -5.919 1.00 0.00 N ATOM 47 CA GLU A 5 9.741 -11.609 -4.621 1.00 0.00 C ATOM 48 C GLU A 5 9.902 -10.103 -4.793 1.00 0.00 C ATOM 49 O GLU A 5 11.023 -9.594 -4.887 1.00 0.00 O ATOM 50 CB GLU A 5 10.774 -12.157 -3.626 1.00 0.00 C ATOM 51 CG GLU A 5 10.545 -11.712 -2.191 1.00 0.00 C ATOM 52 CD GLU A 5 9.227 -12.205 -1.623 1.00 0.00 C ATOM 53 OE1 GLU A 5 8.171 -11.636 -1.973 1.00 0.00 O ATOM 54 OE2 GLU A 5 9.236 -13.158 -0.814 1.00 0.00 O ATOM 0 H GLU A 5 10.375 -11.678 -6.612 1.00 0.00 H new ATOM 0 HA GLU A 5 8.750 -11.824 -4.220 1.00 0.00 H new ATOM 0 HB2 GLU A 5 10.759 -13.246 -3.665 1.00 0.00 H new ATOM 0 HB3 GLU A 5 11.769 -11.841 -3.939 1.00 0.00 H new ATOM 0 HG2 GLU A 5 11.362 -12.076 -1.568 1.00 0.00 H new ATOM 0 HG3 GLU A 5 10.570 -10.623 -2.145 1.00 0.00 H new ATOM 61 N GLU A 6 8.781 -9.403 -4.866 1.00 0.00 N ATOM 62 CA GLU A 6 8.783 -7.986 -5.201 1.00 0.00 C ATOM 63 C GLU A 6 9.076 -7.120 -3.982 1.00 0.00 C ATOM 64 O GLU A 6 9.168 -7.619 -2.859 1.00 0.00 O ATOM 65 CB GLU A 6 7.437 -7.586 -5.806 1.00 0.00 C ATOM 66 CG GLU A 6 7.080 -8.361 -7.065 1.00 0.00 C ATOM 67 CD GLU A 6 8.178 -8.310 -8.105 1.00 0.00 C ATOM 68 OE1 GLU A 6 8.338 -7.256 -8.761 1.00 0.00 O ATOM 69 OE2 GLU A 6 8.891 -9.318 -8.268 1.00 0.00 O ATOM 0 H GLU A 6 7.854 -9.794 -4.697 1.00 0.00 H new ATOM 0 HA GLU A 6 9.576 -7.821 -5.931 1.00 0.00 H new ATOM 0 HB2 GLU A 6 6.655 -7.737 -5.062 1.00 0.00 H new ATOM 0 HB3 GLU A 6 7.455 -6.521 -6.038 1.00 0.00 H new ATOM 0 HG2 GLU A 6 6.879 -9.400 -6.804 1.00 0.00 H new ATOM 0 HG3 GLU A 6 6.162 -7.955 -7.490 1.00 0.00 H new ATOM 76 N VAL A 7 9.223 -5.825 -4.215 1.00 0.00 N ATOM 77 CA VAL A 7 9.497 -4.878 -3.145 1.00 0.00 C ATOM 78 C VAL A 7 8.233 -4.627 -2.329 1.00 0.00 C ATOM 79 O VAL A 7 7.315 -3.931 -2.775 1.00 0.00 O ATOM 80 CB VAL A 7 10.027 -3.535 -3.697 1.00 0.00 C ATOM 81 CG1 VAL A 7 10.346 -2.569 -2.564 1.00 0.00 C ATOM 82 CG2 VAL A 7 11.255 -3.761 -4.569 1.00 0.00 C ATOM 0 H VAL A 7 9.157 -5.404 -5.142 1.00 0.00 H new ATOM 0 HA VAL A 7 10.267 -5.315 -2.508 1.00 0.00 H new ATOM 0 HB VAL A 7 9.245 -3.090 -4.312 1.00 0.00 H new ATOM 0 HG11 VAL A 7 10.717 -1.632 -2.979 1.00 0.00 H new ATOM 0 HG12 VAL A 7 9.443 -2.377 -1.984 1.00 0.00 H new ATOM 0 HG13 VAL A 7 11.107 -3.006 -1.917 1.00 0.00 H new ATOM 0 HG21 VAL A 7 11.613 -2.804 -4.948 1.00 0.00 H new ATOM 0 HG22 VAL A 7 12.039 -4.233 -3.978 1.00 0.00 H new ATOM 0 HG23 VAL A 7 10.993 -4.408 -5.406 1.00 0.00 H new ATOM 92 N VAL A 8 8.181 -5.218 -1.145 1.00 0.00 N ATOM 93 CA VAL A 8 7.019 -5.082 -0.283 1.00 0.00 C ATOM 94 C VAL A 8 7.250 -4.043 0.798 1.00 0.00 C ATOM 95 O VAL A 8 8.301 -3.997 1.437 1.00 0.00 O ATOM 96 CB VAL A 8 6.614 -6.432 0.352 1.00 0.00 C ATOM 97 CG1 VAL A 8 5.574 -6.238 1.445 1.00 0.00 C ATOM 98 CG2 VAL A 8 6.074 -7.361 -0.718 1.00 0.00 C ATOM 0 H VAL A 8 8.929 -5.795 -0.760 1.00 0.00 H new ATOM 0 HA VAL A 8 6.197 -4.746 -0.915 1.00 0.00 H new ATOM 0 HB VAL A 8 7.501 -6.875 0.806 1.00 0.00 H new ATOM 0 HG11 VAL A 8 5.310 -7.206 1.872 1.00 0.00 H new ATOM 0 HG12 VAL A 8 5.982 -5.596 2.226 1.00 0.00 H new ATOM 0 HG13 VAL A 8 4.684 -5.773 1.022 1.00 0.00 H new ATOM 0 HG21 VAL A 8 5.790 -8.311 -0.265 1.00 0.00 H new ATOM 0 HG22 VAL A 8 5.201 -6.907 -1.187 1.00 0.00 H new ATOM 0 HG23 VAL A 8 6.842 -7.533 -1.472 1.00 0.00 H new ATOM 108 N VAL A 9 6.250 -3.206 0.975 1.00 0.00 N ATOM 109 CA VAL A 9 6.264 -2.161 1.972 1.00 0.00 C ATOM 110 C VAL A 9 5.243 -2.481 3.055 1.00 0.00 C ATOM 111 O VAL A 9 4.537 -3.482 2.962 1.00 0.00 O ATOM 112 CB VAL A 9 5.929 -0.807 1.332 1.00 0.00 C ATOM 113 CG1 VAL A 9 7.055 -0.365 0.414 1.00 0.00 C ATOM 114 CG2 VAL A 9 4.618 -0.909 0.570 1.00 0.00 C ATOM 0 H VAL A 9 5.393 -3.234 0.422 1.00 0.00 H new ATOM 0 HA VAL A 9 7.260 -2.104 2.411 1.00 0.00 H new ATOM 0 HB VAL A 9 5.818 -0.058 2.116 1.00 0.00 H new ATOM 0 HG11 VAL A 9 6.804 0.597 -0.033 1.00 0.00 H new ATOM 0 HG12 VAL A 9 7.976 -0.269 0.989 1.00 0.00 H new ATOM 0 HG13 VAL A 9 7.194 -1.106 -0.373 1.00 0.00 H new ATOM 0 HG21 VAL A 9 4.384 0.055 0.117 1.00 0.00 H new ATOM 0 HG22 VAL A 9 4.709 -1.664 -0.211 1.00 0.00 H new ATOM 0 HG23 VAL A 9 3.819 -1.191 1.256 1.00 0.00 H new ATOM 124 N VAL A 10 5.151 -1.648 4.072 1.00 0.00 N ATOM 125 CA VAL A 10 4.200 -1.887 5.137 1.00 0.00 C ATOM 126 C VAL A 10 3.573 -0.575 5.593 1.00 0.00 C ATOM 127 O VAL A 10 4.244 0.451 5.686 1.00 0.00 O ATOM 128 CB VAL A 10 4.860 -2.622 6.331 1.00 0.00 C ATOM 129 CG1 VAL A 10 5.995 -1.798 6.921 1.00 0.00 C ATOM 130 CG2 VAL A 10 3.821 -2.976 7.393 1.00 0.00 C ATOM 0 H VAL A 10 5.718 -0.807 4.183 1.00 0.00 H new ATOM 0 HA VAL A 10 3.414 -2.533 4.746 1.00 0.00 H new ATOM 0 HB VAL A 10 5.288 -3.553 5.960 1.00 0.00 H new ATOM 0 HG11 VAL A 10 6.440 -2.338 7.757 1.00 0.00 H new ATOM 0 HG12 VAL A 10 6.753 -1.623 6.157 1.00 0.00 H new ATOM 0 HG13 VAL A 10 5.606 -0.842 7.272 1.00 0.00 H new ATOM 0 HG21 VAL A 10 4.308 -3.491 8.221 1.00 0.00 H new ATOM 0 HG22 VAL A 10 3.350 -2.064 7.760 1.00 0.00 H new ATOM 0 HG23 VAL A 10 3.062 -3.626 6.957 1.00 0.00 H new ATOM 140 N ALA A 11 2.278 -0.610 5.842 1.00 0.00 N ATOM 141 CA ALA A 11 1.549 0.573 6.253 1.00 0.00 C ATOM 142 C ALA A 11 1.596 0.738 7.763 1.00 0.00 C ATOM 143 O ALA A 11 1.530 -0.244 8.506 1.00 0.00 O ATOM 144 CB ALA A 11 0.115 0.477 5.777 1.00 0.00 C ATOM 0 H ALA A 11 1.706 -1.451 5.766 1.00 0.00 H new ATOM 0 HA ALA A 11 2.018 1.448 5.804 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -0.432 1.368 6.087 1.00 0.00 H new ATOM 0 HB2 ALA A 11 0.097 0.400 4.690 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -0.354 -0.406 6.211 1.00 0.00 H new ATOM 150 N LYS A 12 1.693 1.977 8.213 1.00 0.00 N ATOM 151 CA LYS A 12 1.758 2.268 9.636 1.00 0.00 C ATOM 152 C LYS A 12 0.359 2.448 10.212 1.00 0.00 C ATOM 153 O LYS A 12 0.071 1.981 11.313 1.00 0.00 O ATOM 154 CB LYS A 12 2.601 3.522 9.886 1.00 0.00 C ATOM 155 CG LYS A 12 2.644 3.961 11.345 1.00 0.00 C ATOM 156 CD LYS A 12 3.284 2.915 12.248 1.00 0.00 C ATOM 157 CE LYS A 12 4.768 3.179 12.469 1.00 0.00 C ATOM 158 NZ LYS A 12 5.602 2.876 11.274 1.00 0.00 N ATOM 0 H LYS A 12 1.729 2.800 7.612 1.00 0.00 H new ATOM 0 HA LYS A 12 2.231 1.424 10.137 1.00 0.00 H new ATOM 0 HB2 LYS A 12 3.619 3.337 9.543 1.00 0.00 H new ATOM 0 HB3 LYS A 12 2.205 4.339 9.283 1.00 0.00 H new ATOM 0 HG2 LYS A 12 3.201 4.895 11.424 1.00 0.00 H new ATOM 0 HG3 LYS A 12 1.630 4.164 11.690 1.00 0.00 H new ATOM 0 HD2 LYS A 12 2.771 2.904 13.210 1.00 0.00 H new ATOM 0 HD3 LYS A 12 3.154 1.927 11.806 1.00 0.00 H new ATOM 0 HE2 LYS A 12 4.907 4.224 12.746 1.00 0.00 H new ATOM 0 HE3 LYS A 12 5.116 2.578 13.309 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 6.528 2.514 11.580 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 5.125 2.159 10.691 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 5.736 3.743 10.715 1.00 0.00 H new ATOM 172 N PHE A 13 -0.512 3.119 9.467 1.00 0.00 N ATOM 173 CA PHE A 13 -1.873 3.353 9.936 1.00 0.00 C ATOM 174 C PHE A 13 -2.904 2.958 8.888 1.00 0.00 C ATOM 175 O PHE A 13 -2.625 2.963 7.690 1.00 0.00 O ATOM 176 CB PHE A 13 -2.068 4.818 10.338 1.00 0.00 C ATOM 177 CG PHE A 13 -1.280 5.229 11.547 1.00 0.00 C ATOM 178 CD1 PHE A 13 -1.575 4.699 12.794 1.00 0.00 C ATOM 179 CD2 PHE A 13 -0.254 6.154 11.440 1.00 0.00 C ATOM 180 CE1 PHE A 13 -0.860 5.085 13.912 1.00 0.00 C ATOM 181 CE2 PHE A 13 0.464 6.543 12.554 1.00 0.00 C ATOM 182 CZ PHE A 13 0.162 6.009 13.792 1.00 0.00 C ATOM 0 H PHE A 13 -0.304 3.507 8.547 1.00 0.00 H new ATOM 0 HA PHE A 13 -2.024 2.724 10.813 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -1.786 5.455 9.499 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -3.126 4.994 10.530 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -2.372 3.977 12.893 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -0.013 6.575 10.475 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -1.099 4.666 14.878 1.00 0.00 H new ATOM 0 HE2 PHE A 13 1.262 7.265 12.457 1.00 0.00 H new ATOM 0 HZ PHE A 13 0.723 6.312 14.664 1.00 0.00 H new ATOM 192 N ASP A 14 -4.089 2.601 9.366 1.00 0.00 N ATOM 193 CA ASP A 14 -5.204 2.207 8.510 1.00 0.00 C ATOM 194 C ASP A 14 -5.599 3.319 7.550 1.00 0.00 C ATOM 195 O ASP A 14 -5.756 4.473 7.953 1.00 0.00 O ATOM 196 CB ASP A 14 -6.429 1.863 9.355 1.00 0.00 C ATOM 197 CG ASP A 14 -6.142 0.844 10.431 1.00 0.00 C ATOM 198 OD1 ASP A 14 -6.138 -0.362 10.128 1.00 0.00 O ATOM 199 OD2 ASP A 14 -5.938 1.250 11.591 1.00 0.00 O ATOM 0 H ASP A 14 -4.306 2.576 10.362 1.00 0.00 H new ATOM 0 HA ASP A 14 -4.871 1.339 7.941 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -6.810 2.773 9.818 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -7.216 1.483 8.704 1.00 0.00 H new ATOM 204 N TYR A 15 -5.779 2.963 6.288 1.00 0.00 N ATOM 205 CA TYR A 15 -6.319 3.880 5.297 1.00 0.00 C ATOM 206 C TYR A 15 -7.361 3.163 4.450 1.00 0.00 C ATOM 207 O TYR A 15 -7.035 2.261 3.675 1.00 0.00 O ATOM 208 CB TYR A 15 -5.211 4.459 4.408 1.00 0.00 C ATOM 209 CG TYR A 15 -5.730 5.141 3.164 1.00 0.00 C ATOM 210 CD1 TYR A 15 -6.392 6.359 3.239 1.00 0.00 C ATOM 211 CD2 TYR A 15 -5.565 4.558 1.913 1.00 0.00 C ATOM 212 CE1 TYR A 15 -6.878 6.976 2.104 1.00 0.00 C ATOM 213 CE2 TYR A 15 -6.047 5.168 0.774 1.00 0.00 C ATOM 214 CZ TYR A 15 -6.704 6.377 0.874 1.00 0.00 C ATOM 215 OH TYR A 15 -7.181 6.994 -0.255 1.00 0.00 O ATOM 0 H TYR A 15 -5.557 2.037 5.924 1.00 0.00 H new ATOM 0 HA TYR A 15 -6.790 4.713 5.820 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -4.627 5.174 4.988 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -4.533 3.656 4.117 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -6.529 6.831 4.201 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -5.051 3.612 1.832 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -7.392 7.923 2.179 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -5.911 4.702 -0.191 1.00 0.00 H new ATOM 0 HH TYR A 15 -6.977 6.444 -1.040 1.00 0.00 H new ATOM 225 N VAL A 16 -8.611 3.566 4.609 1.00 0.00 N ATOM 226 CA VAL A 16 -9.706 2.957 3.877 1.00 0.00 C ATOM 227 C VAL A 16 -9.807 3.555 2.478 1.00 0.00 C ATOM 228 O VAL A 16 -9.763 4.773 2.311 1.00 0.00 O ATOM 229 CB VAL A 16 -11.050 3.144 4.622 1.00 0.00 C ATOM 230 CG1 VAL A 16 -12.182 2.466 3.875 1.00 0.00 C ATOM 231 CG2 VAL A 16 -10.948 2.619 6.048 1.00 0.00 C ATOM 0 H VAL A 16 -8.892 4.315 5.241 1.00 0.00 H new ATOM 0 HA VAL A 16 -9.500 1.889 3.799 1.00 0.00 H new ATOM 0 HB VAL A 16 -11.270 4.211 4.666 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -13.115 2.612 4.419 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -12.271 2.899 2.879 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -11.974 1.399 3.790 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -11.902 2.759 6.556 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -10.700 1.558 6.028 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -10.169 3.164 6.582 1.00 0.00 H new ATOM 241 N ALA A 17 -9.938 2.695 1.481 1.00 0.00 N ATOM 242 CA ALA A 17 -10.082 3.138 0.109 1.00 0.00 C ATOM 243 C ALA A 17 -11.534 3.459 -0.159 1.00 0.00 C ATOM 244 O ALA A 17 -12.417 2.663 0.162 1.00 0.00 O ATOM 245 CB ALA A 17 -9.598 2.073 -0.857 1.00 0.00 C ATOM 0 H ALA A 17 -9.947 1.682 1.600 1.00 0.00 H new ATOM 0 HA ALA A 17 -9.474 4.030 -0.040 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -9.716 2.429 -1.880 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -8.546 1.860 -0.666 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -10.183 1.164 -0.719 1.00 0.00 H new ATOM 251 N GLN A 18 -11.784 4.622 -0.727 1.00 0.00 N ATOM 252 CA GLN A 18 -13.145 5.051 -0.988 1.00 0.00 C ATOM 253 C GLN A 18 -13.807 4.155 -2.028 1.00 0.00 C ATOM 254 O GLN A 18 -14.947 3.730 -1.860 1.00 0.00 O ATOM 255 CB GLN A 18 -13.159 6.506 -1.440 1.00 0.00 C ATOM 256 CG GLN A 18 -12.756 7.471 -0.339 1.00 0.00 C ATOM 257 CD GLN A 18 -12.277 8.792 -0.888 1.00 0.00 C ATOM 258 OE1 GLN A 18 -11.652 8.742 -2.050 1.00 0.00 O flip ATOM 259 NE2 GLN A 18 -12.452 9.843 -0.270 1.00 0.00 N flip ATOM 0 H GLN A 18 -11.065 5.286 -1.016 1.00 0.00 H new ATOM 0 HA GLN A 18 -13.717 4.969 -0.064 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -12.482 6.625 -2.286 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -14.158 6.762 -1.793 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -13.606 7.641 0.322 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -11.967 7.022 0.264 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -12.941 9.833 0.625 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -12.108 10.723 -0.653 1.00 0.00 H new ATOM 268 N GLN A 19 -13.075 3.866 -3.092 1.00 0.00 N ATOM 269 CA GLN A 19 -13.551 2.986 -4.147 1.00 0.00 C ATOM 270 C GLN A 19 -12.409 2.104 -4.619 1.00 0.00 C ATOM 271 O GLN A 19 -11.266 2.303 -4.206 1.00 0.00 O ATOM 272 CB GLN A 19 -14.102 3.795 -5.326 1.00 0.00 C ATOM 273 CG GLN A 19 -15.450 4.449 -5.062 1.00 0.00 C ATOM 274 CD GLN A 19 -16.572 3.440 -4.913 1.00 0.00 C ATOM 275 OE1 GLN A 19 -17.204 3.051 -5.892 1.00 0.00 O ATOM 276 NE2 GLN A 19 -16.833 3.020 -3.689 1.00 0.00 N ATOM 0 H GLN A 19 -12.137 4.234 -3.248 1.00 0.00 H new ATOM 0 HA GLN A 19 -14.357 2.368 -3.750 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -13.381 4.569 -5.589 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -14.193 3.138 -6.191 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -15.386 5.051 -4.156 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -15.685 5.129 -5.880 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -16.284 3.368 -2.903 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -17.583 2.348 -3.530 1.00 0.00 H new ATOM 285 N GLU A 20 -12.710 1.149 -5.491 1.00 0.00 N ATOM 286 CA GLU A 20 -11.693 0.237 -6.012 1.00 0.00 C ATOM 287 C GLU A 20 -10.750 0.959 -6.981 1.00 0.00 C ATOM 288 O GLU A 20 -9.817 0.360 -7.516 1.00 0.00 O ATOM 289 CB GLU A 20 -12.345 -0.965 -6.700 1.00 0.00 C ATOM 290 CG GLU A 20 -13.323 -1.716 -5.810 1.00 0.00 C ATOM 291 CD GLU A 20 -13.915 -2.933 -6.492 1.00 0.00 C ATOM 292 OE1 GLU A 20 -14.623 -2.768 -7.502 1.00 0.00 O ATOM 293 OE2 GLU A 20 -13.664 -4.066 -6.027 1.00 0.00 O ATOM 0 H GLU A 20 -13.649 0.984 -5.853 1.00 0.00 H new ATOM 0 HA GLU A 20 -11.104 -0.123 -5.168 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -12.868 -0.623 -7.593 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -11.565 -1.652 -7.030 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -12.813 -2.027 -4.898 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -14.128 -1.044 -5.512 1.00 0.00 H new ATOM 300 N GLN A 21 -11.032 2.234 -7.240 1.00 0.00 N ATOM 301 CA GLN A 21 -10.122 3.093 -7.990 1.00 0.00 C ATOM 302 C GLN A 21 -8.908 3.427 -7.131 1.00 0.00 C ATOM 303 O GLN A 21 -7.825 3.724 -7.636 1.00 0.00 O ATOM 304 CB GLN A 21 -10.825 4.391 -8.401 1.00 0.00 C ATOM 305 CG GLN A 21 -11.449 5.139 -7.229 1.00 0.00 C ATOM 306 CD GLN A 21 -11.921 6.530 -7.603 1.00 0.00 C ATOM 307 OE1 GLN A 21 -13.056 6.720 -8.041 1.00 0.00 O ATOM 308 NE2 GLN A 21 -11.059 7.515 -7.408 1.00 0.00 N ATOM 0 H GLN A 21 -11.890 2.696 -6.939 1.00 0.00 H new ATOM 0 HA GLN A 21 -9.805 2.563 -8.888 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -10.106 5.043 -8.897 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -11.602 4.160 -9.130 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -12.293 4.565 -6.846 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -10.720 5.213 -6.422 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -10.128 7.313 -7.043 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -11.326 8.476 -7.623 1.00 0.00 H new ATOM 317 N GLU A 22 -9.113 3.361 -5.825 1.00 0.00 N ATOM 318 CA GLU A 22 -8.083 3.686 -4.861 1.00 0.00 C ATOM 319 C GLU A 22 -7.436 2.393 -4.377 1.00 0.00 C ATOM 320 O GLU A 22 -7.856 1.306 -4.771 1.00 0.00 O ATOM 321 CB GLU A 22 -8.697 4.432 -3.666 1.00 0.00 C ATOM 322 CG GLU A 22 -9.733 5.487 -4.034 1.00 0.00 C ATOM 323 CD GLU A 22 -9.155 6.677 -4.773 1.00 0.00 C ATOM 324 OE1 GLU A 22 -8.898 6.566 -5.987 1.00 0.00 O ATOM 325 OE2 GLU A 22 -8.991 7.741 -4.146 1.00 0.00 O ATOM 0 H GLU A 22 -10.000 3.080 -5.407 1.00 0.00 H new ATOM 0 HA GLU A 22 -7.335 4.326 -5.329 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -9.161 3.704 -3.001 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -7.895 4.911 -3.104 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -10.504 5.026 -4.652 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -10.221 5.837 -3.124 1.00 0.00 H new ATOM 332 N LEU A 23 -6.429 2.501 -3.527 1.00 0.00 N ATOM 333 CA LEU A 23 -5.812 1.319 -2.940 1.00 0.00 C ATOM 334 C LEU A 23 -6.203 1.250 -1.465 1.00 0.00 C ATOM 335 O LEU A 23 -6.043 2.231 -0.738 1.00 0.00 O ATOM 336 CB LEU A 23 -4.284 1.390 -3.086 1.00 0.00 C ATOM 337 CG LEU A 23 -3.540 0.048 -3.056 1.00 0.00 C ATOM 338 CD1 LEU A 23 -3.460 -0.507 -1.649 1.00 0.00 C ATOM 339 CD2 LEU A 23 -4.218 -0.952 -3.966 1.00 0.00 C ATOM 0 H LEU A 23 -6.022 3.387 -3.228 1.00 0.00 H new ATOM 0 HA LEU A 23 -6.159 0.424 -3.456 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -4.052 1.890 -4.026 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -3.892 2.018 -2.286 1.00 0.00 H new ATOM 0 HG LEU A 23 -2.525 0.225 -3.411 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -2.927 -1.458 -1.663 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -2.928 0.198 -1.010 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -4.467 -0.661 -1.261 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -3.678 -1.898 -3.933 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -5.244 -1.108 -3.634 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -4.221 -0.571 -4.987 1.00 0.00 H new ATOM 351 N ASP A 24 -6.712 0.108 -1.022 1.00 0.00 N ATOM 352 CA ASP A 24 -7.122 -0.042 0.371 1.00 0.00 C ATOM 353 C ASP A 24 -5.993 -0.655 1.186 1.00 0.00 C ATOM 354 O ASP A 24 -5.407 -1.669 0.803 1.00 0.00 O ATOM 355 CB ASP A 24 -8.403 -0.887 0.494 1.00 0.00 C ATOM 356 CG ASP A 24 -8.185 -2.369 0.245 1.00 0.00 C ATOM 357 OD1 ASP A 24 -8.224 -2.794 -0.929 1.00 0.00 O ATOM 358 OD2 ASP A 24 -7.979 -3.112 1.231 1.00 0.00 O ATOM 0 H ASP A 24 -6.851 -0.722 -1.599 1.00 0.00 H new ATOM 0 HA ASP A 24 -7.345 0.949 0.766 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -8.821 -0.753 1.492 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -9.143 -0.514 -0.214 1.00 0.00 H new ATOM 363 N ILE A 25 -5.662 -0.018 2.298 1.00 0.00 N ATOM 364 CA ILE A 25 -4.592 -0.504 3.150 1.00 0.00 C ATOM 365 C ILE A 25 -5.039 -0.523 4.612 1.00 0.00 C ATOM 366 O ILE A 25 -6.115 -0.030 4.951 1.00 0.00 O ATOM 367 CB ILE A 25 -3.297 0.334 2.993 1.00 0.00 C ATOM 368 CG1 ILE A 25 -3.460 1.747 3.551 1.00 0.00 C ATOM 369 CG2 ILE A 25 -2.872 0.400 1.532 1.00 0.00 C ATOM 370 CD1 ILE A 25 -2.441 2.064 4.612 1.00 0.00 C ATOM 0 H ILE A 25 -6.117 0.833 2.629 1.00 0.00 H new ATOM 0 HA ILE A 25 -4.363 -1.522 2.834 1.00 0.00 H new ATOM 0 HB ILE A 25 -2.520 -0.167 3.571 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -3.372 2.468 2.739 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -4.461 1.857 3.968 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -1.961 0.993 1.444 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -2.686 -0.608 1.161 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -3.664 0.863 0.943 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -2.599 3.079 4.977 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -2.546 1.361 5.439 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -1.439 1.982 4.190 1.00 0.00 H new ATOM 382 N LYS A 26 -4.219 -1.097 5.475 1.00 0.00 N ATOM 383 CA LYS A 26 -4.579 -1.259 6.876 1.00 0.00 C ATOM 384 C LYS A 26 -3.361 -0.989 7.750 1.00 0.00 C ATOM 385 O LYS A 26 -2.237 -0.948 7.246 1.00 0.00 O ATOM 386 CB LYS A 26 -5.072 -2.690 7.113 1.00 0.00 C ATOM 387 CG LYS A 26 -6.077 -2.826 8.240 1.00 0.00 C ATOM 388 CD LYS A 26 -7.477 -2.436 7.784 1.00 0.00 C ATOM 389 CE LYS A 26 -8.202 -3.592 7.099 1.00 0.00 C ATOM 390 NZ LYS A 26 -7.500 -4.082 5.878 1.00 0.00 N ATOM 0 H LYS A 26 -3.297 -1.460 5.231 1.00 0.00 H new ATOM 0 HA LYS A 26 -5.370 -0.554 7.131 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -5.522 -3.063 6.193 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -4.214 -3.326 7.329 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -6.083 -3.854 8.602 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -5.776 -2.195 9.077 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -8.058 -2.103 8.644 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -7.412 -1.592 7.097 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -8.308 -4.416 7.805 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -9.208 -3.272 6.829 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -8.117 -4.744 5.365 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -7.270 -3.276 5.263 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -6.623 -4.568 6.153 1.00 0.00 H new ATOM 404 N LYS A 27 -3.573 -0.804 9.044 1.00 0.00 N ATOM 405 CA LYS A 27 -2.461 -0.670 9.971 1.00 0.00 C ATOM 406 C LYS A 27 -1.688 -1.979 10.029 1.00 0.00 C ATOM 407 O LYS A 27 -2.279 -3.041 10.246 1.00 0.00 O ATOM 408 CB LYS A 27 -2.946 -0.290 11.370 1.00 0.00 C ATOM 409 CG LYS A 27 -1.829 -0.284 12.404 1.00 0.00 C ATOM 410 CD LYS A 27 -2.342 0.058 13.789 1.00 0.00 C ATOM 411 CE LYS A 27 -1.196 0.159 14.788 1.00 0.00 C ATOM 412 NZ LYS A 27 -1.678 0.414 16.173 1.00 0.00 N ATOM 0 H LYS A 27 -4.496 -0.744 9.473 1.00 0.00 H new ATOM 0 HA LYS A 27 -1.810 0.128 9.613 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -3.406 0.698 11.334 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -3.720 -0.991 11.683 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -1.350 -1.263 12.426 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -1.067 0.438 12.111 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -2.885 1.003 13.756 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -3.049 -0.704 14.117 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -0.619 -0.765 14.771 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -0.523 0.961 14.486 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -0.864 0.475 16.818 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -2.207 1.309 16.197 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -2.300 -0.364 16.473 1.00 0.00 H new ATOM 426 N ASN A 28 -0.381 -1.897 9.803 1.00 0.00 N ATOM 427 CA ASN A 28 0.500 -3.071 9.815 1.00 0.00 C ATOM 428 C ASN A 28 0.176 -3.980 8.622 1.00 0.00 C ATOM 429 O ASN A 28 0.408 -5.190 8.656 1.00 0.00 O ATOM 430 CB ASN A 28 0.362 -3.837 11.147 1.00 0.00 C ATOM 431 CG ASN A 28 1.584 -4.682 11.518 1.00 0.00 C ATOM 432 OD1 ASN A 28 1.911 -4.822 12.699 1.00 0.00 O ATOM 433 ND2 ASN A 28 2.245 -5.283 10.538 1.00 0.00 N ATOM 0 H ASN A 28 0.101 -1.020 9.606 1.00 0.00 H new ATOM 0 HA ASN A 28 1.534 -2.739 9.726 1.00 0.00 H new ATOM 0 HB2 ASN A 28 0.174 -3.121 11.947 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -0.511 -4.487 11.090 1.00 0.00 H new ATOM 0 HD21 ASN A 28 3.045 -5.878 10.753 1.00 0.00 H new ATOM 0 HD22 ASN A 28 1.953 -5.150 9.570 1.00 0.00 H new ATOM 440 N GLU A 29 -0.344 -3.386 7.557 1.00 0.00 N ATOM 441 CA GLU A 29 -0.640 -4.133 6.345 1.00 0.00 C ATOM 442 C GLU A 29 0.513 -3.973 5.369 1.00 0.00 C ATOM 443 O GLU A 29 0.984 -2.861 5.143 1.00 0.00 O ATOM 444 CB GLU A 29 -1.936 -3.633 5.703 1.00 0.00 C ATOM 445 CG GLU A 29 -2.626 -4.663 4.826 1.00 0.00 C ATOM 446 CD GLU A 29 -3.233 -5.792 5.639 1.00 0.00 C ATOM 447 OE1 GLU A 29 -4.378 -5.641 6.111 1.00 0.00 O ATOM 448 OE2 GLU A 29 -2.561 -6.828 5.830 1.00 0.00 O ATOM 0 H GLU A 29 -0.569 -2.392 7.508 1.00 0.00 H new ATOM 0 HA GLU A 29 -0.769 -5.185 6.599 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -2.623 -3.322 6.490 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -1.716 -2.749 5.104 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -3.408 -4.176 4.243 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -1.908 -5.074 4.116 1.00 0.00 H new ATOM 455 N ARG A 30 0.989 -5.073 4.817 1.00 0.00 N ATOM 456 CA ARG A 30 2.086 -5.020 3.864 1.00 0.00 C ATOM 457 C ARG A 30 1.547 -4.922 2.445 1.00 0.00 C ATOM 458 O ARG A 30 0.661 -5.682 2.049 1.00 0.00 O ATOM 459 CB ARG A 30 2.992 -6.241 4.015 1.00 0.00 C ATOM 460 CG ARG A 30 2.360 -7.535 3.535 1.00 0.00 C ATOM 461 CD ARG A 30 3.159 -8.744 4.010 1.00 0.00 C ATOM 462 NE ARG A 30 2.625 -10.009 3.505 1.00 0.00 N ATOM 463 CZ ARG A 30 3.388 -11.038 3.120 1.00 0.00 C ATOM 464 NH1 ARG A 30 4.713 -10.930 3.114 1.00 0.00 N ATOM 465 NH2 ARG A 30 2.822 -12.173 2.726 1.00 0.00 N ATOM 0 H ARG A 30 0.637 -6.011 5.009 1.00 0.00 H new ATOM 0 HA ARG A 30 2.681 -4.130 4.070 1.00 0.00 H new ATOM 0 HB2 ARG A 30 3.913 -6.069 3.459 1.00 0.00 H new ATOM 0 HB3 ARG A 30 3.268 -6.349 5.064 1.00 0.00 H new ATOM 0 HG2 ARG A 30 1.337 -7.603 3.905 1.00 0.00 H new ATOM 0 HG3 ARG A 30 2.306 -7.535 2.446 1.00 0.00 H new ATOM 0 HD2 ARG A 30 4.195 -8.638 3.689 1.00 0.00 H new ATOM 0 HD3 ARG A 30 3.164 -8.766 5.100 1.00 0.00 H new ATOM 0 HE ARG A 30 1.612 -10.112 3.443 1.00 0.00 H new ATOM 0 HH11 ARG A 30 5.155 -10.058 3.404 1.00 0.00 H new ATOM 0 HH12 ARG A 30 5.288 -11.719 2.819 1.00 0.00 H new ATOM 0 HH21 ARG A 30 1.806 -12.260 2.717 1.00 0.00 H new ATOM 0 HH22 ARG A 30 3.404 -12.958 2.432 1.00 0.00 H new ATOM 479 N LEU A 31 2.072 -3.976 1.691 1.00 0.00 N ATOM 480 CA LEU A 31 1.606 -3.745 0.334 1.00 0.00 C ATOM 481 C LEU A 31 2.771 -3.886 -0.641 1.00 0.00 C ATOM 482 O LEU A 31 3.928 -3.896 -0.235 1.00 0.00 O ATOM 483 CB LEU A 31 0.958 -2.351 0.187 1.00 0.00 C ATOM 484 CG LEU A 31 -0.238 -2.049 1.107 1.00 0.00 C ATOM 485 CD1 LEU A 31 -1.104 -3.283 1.311 1.00 0.00 C ATOM 486 CD2 LEU A 31 0.237 -1.492 2.441 1.00 0.00 C ATOM 0 H LEU A 31 2.822 -3.354 1.993 1.00 0.00 H new ATOM 0 HA LEU A 31 0.845 -4.491 0.105 1.00 0.00 H new ATOM 0 HB2 LEU A 31 1.725 -1.598 0.366 1.00 0.00 H new ATOM 0 HB3 LEU A 31 0.632 -2.234 -0.846 1.00 0.00 H new ATOM 0 HG LEU A 31 -0.852 -1.292 0.619 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -1.940 -3.037 1.965 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -1.485 -3.623 0.348 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -0.508 -4.074 1.766 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -0.624 -1.285 3.076 1.00 0.00 H new ATOM 0 HD22 LEU A 31 0.883 -2.221 2.931 1.00 0.00 H new ATOM 0 HD23 LEU A 31 0.793 -0.570 2.273 1.00 0.00 H new ATOM 498 N TRP A 32 2.463 -3.993 -1.920 1.00 0.00 N ATOM 499 CA TRP A 32 3.493 -4.100 -2.946 1.00 0.00 C ATOM 500 C TRP A 32 3.711 -2.750 -3.600 1.00 0.00 C ATOM 501 O TRP A 32 2.784 -2.171 -4.158 1.00 0.00 O ATOM 502 CB TRP A 32 3.104 -5.139 -4.002 1.00 0.00 C ATOM 503 CG TRP A 32 3.263 -6.556 -3.541 1.00 0.00 C ATOM 504 CD1 TRP A 32 4.312 -7.385 -3.810 1.00 0.00 C ATOM 505 CD2 TRP A 32 2.354 -7.313 -2.730 1.00 0.00 C ATOM 506 NE1 TRP A 32 4.112 -8.609 -3.223 1.00 0.00 N ATOM 507 CE2 TRP A 32 2.918 -8.589 -2.554 1.00 0.00 C ATOM 508 CE3 TRP A 32 1.119 -7.036 -2.135 1.00 0.00 C ATOM 509 CZ2 TRP A 32 2.294 -9.585 -1.808 1.00 0.00 C ATOM 510 CZ3 TRP A 32 0.500 -8.028 -1.397 1.00 0.00 C ATOM 511 CH2 TRP A 32 1.087 -9.288 -1.241 1.00 0.00 C ATOM 0 H TRP A 32 1.508 -4.008 -2.277 1.00 0.00 H new ATOM 0 HA TRP A 32 4.420 -4.424 -2.473 1.00 0.00 H new ATOM 0 HB2 TRP A 32 2.067 -4.976 -4.295 1.00 0.00 H new ATOM 0 HB3 TRP A 32 3.714 -4.985 -4.892 1.00 0.00 H new ATOM 0 HD1 TRP A 32 5.176 -7.117 -4.400 1.00 0.00 H new ATOM 0 HE1 TRP A 32 4.749 -9.404 -3.276 1.00 0.00 H new ATOM 0 HE3 TRP A 32 0.658 -6.066 -2.250 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 2.747 -10.557 -1.682 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 -0.454 -7.826 -0.933 1.00 0.00 H new ATOM 0 HH2 TRP A 32 0.576 -10.042 -0.660 1.00 0.00 H new ATOM 522 N LEU A 33 4.936 -2.253 -3.527 1.00 0.00 N ATOM 523 CA LEU A 33 5.240 -0.915 -4.007 1.00 0.00 C ATOM 524 C LEU A 33 5.841 -0.947 -5.400 1.00 0.00 C ATOM 525 O LEU A 33 6.836 -1.633 -5.651 1.00 0.00 O ATOM 526 CB LEU A 33 6.184 -0.208 -3.035 1.00 0.00 C ATOM 527 CG LEU A 33 6.538 1.237 -3.395 1.00 0.00 C ATOM 528 CD1 LEU A 33 5.274 2.072 -3.534 1.00 0.00 C ATOM 529 CD2 LEU A 33 7.450 1.828 -2.334 1.00 0.00 C ATOM 0 H LEU A 33 5.735 -2.756 -3.140 1.00 0.00 H new ATOM 0 HA LEU A 33 4.305 -0.358 -4.063 1.00 0.00 H new ATOM 0 HB2 LEU A 33 5.730 -0.217 -2.044 1.00 0.00 H new ATOM 0 HB3 LEU A 33 7.107 -0.784 -2.968 1.00 0.00 H new ATOM 0 HG LEU A 33 7.062 1.244 -4.351 1.00 0.00 H new ATOM 0 HD11 LEU A 33 5.541 3.097 -3.790 1.00 0.00 H new ATOM 0 HD12 LEU A 33 4.646 1.653 -4.321 1.00 0.00 H new ATOM 0 HD13 LEU A 33 4.727 2.064 -2.591 1.00 0.00 H new ATOM 0 HD21 LEU A 33 7.697 2.856 -2.598 1.00 0.00 H new ATOM 0 HD22 LEU A 33 6.943 1.813 -1.369 1.00 0.00 H new ATOM 0 HD23 LEU A 33 8.365 1.240 -2.272 1.00 0.00 H new ATOM 541 N LEU A 34 5.225 -0.203 -6.307 1.00 0.00 N ATOM 542 CA LEU A 34 5.696 -0.129 -7.678 1.00 0.00 C ATOM 543 C LEU A 34 6.430 1.184 -7.912 1.00 0.00 C ATOM 544 O LEU A 34 7.569 1.194 -8.376 1.00 0.00 O ATOM 545 CB LEU A 34 4.532 -0.266 -8.670 1.00 0.00 C ATOM 546 CG LEU A 34 3.728 -1.573 -8.593 1.00 0.00 C ATOM 547 CD1 LEU A 34 4.656 -2.764 -8.408 1.00 0.00 C ATOM 548 CD2 LEU A 34 2.693 -1.518 -7.477 1.00 0.00 C ATOM 0 H LEU A 34 4.396 0.359 -6.115 1.00 0.00 H new ATOM 0 HA LEU A 34 6.385 -0.957 -7.844 1.00 0.00 H new ATOM 0 HB2 LEU A 34 3.847 0.568 -8.513 1.00 0.00 H new ATOM 0 HB3 LEU A 34 4.929 -0.166 -9.680 1.00 0.00 H new ATOM 0 HG LEU A 34 3.196 -1.695 -9.536 1.00 0.00 H new ATOM 0 HD11 LEU A 34 4.067 -3.680 -8.356 1.00 0.00 H new ATOM 0 HD12 LEU A 34 5.345 -2.823 -9.251 1.00 0.00 H new ATOM 0 HD13 LEU A 34 5.222 -2.644 -7.485 1.00 0.00 H new ATOM 0 HD21 LEU A 34 2.140 -2.457 -7.447 1.00 0.00 H new ATOM 0 HD22 LEU A 34 3.195 -1.362 -6.522 1.00 0.00 H new ATOM 0 HD23 LEU A 34 2.002 -0.695 -7.662 1.00 0.00 H new ATOM 560 N ASP A 35 5.777 2.294 -7.574 1.00 0.00 N ATOM 561 CA ASP A 35 6.359 3.618 -7.777 1.00 0.00 C ATOM 562 C ASP A 35 6.226 4.466 -6.519 1.00 0.00 C ATOM 563 O ASP A 35 5.146 4.560 -5.936 1.00 0.00 O ATOM 564 CB ASP A 35 5.687 4.342 -8.951 1.00 0.00 C ATOM 565 CG ASP A 35 5.844 3.611 -10.270 1.00 0.00 C ATOM 566 OD1 ASP A 35 6.943 3.664 -10.865 1.00 0.00 O ATOM 567 OD2 ASP A 35 4.862 2.986 -10.731 1.00 0.00 O ATOM 0 H ASP A 35 4.845 2.302 -7.159 1.00 0.00 H new ATOM 0 HA ASP A 35 7.416 3.478 -8.006 1.00 0.00 H new ATOM 0 HB2 ASP A 35 4.626 4.465 -8.735 1.00 0.00 H new ATOM 0 HB3 ASP A 35 6.111 5.342 -9.044 1.00 0.00 H new ATOM 572 N ASP A 36 7.332 5.066 -6.104 1.00 0.00 N ATOM 573 CA ASP A 36 7.353 5.952 -4.939 1.00 0.00 C ATOM 574 C ASP A 36 8.165 7.205 -5.256 1.00 0.00 C ATOM 575 O ASP A 36 8.643 7.903 -4.361 1.00 0.00 O ATOM 576 CB ASP A 36 7.951 5.231 -3.722 1.00 0.00 C ATOM 577 CG ASP A 36 9.428 4.902 -3.884 1.00 0.00 C ATOM 578 OD1 ASP A 36 9.797 4.279 -4.905 1.00 0.00 O ATOM 579 OD2 ASP A 36 10.222 5.241 -2.982 1.00 0.00 O ATOM 0 H ASP A 36 8.238 4.956 -6.559 1.00 0.00 H new ATOM 0 HA ASP A 36 6.329 6.239 -4.701 1.00 0.00 H new ATOM 0 HB2 ASP A 36 7.820 5.855 -2.838 1.00 0.00 H new ATOM 0 HB3 ASP A 36 7.397 4.309 -3.546 1.00 0.00 H new ATOM 584 N SER A 37 8.288 7.491 -6.544 1.00 0.00 N ATOM 585 CA SER A 37 9.119 8.589 -7.020 1.00 0.00 C ATOM 586 C SER A 37 8.484 9.950 -6.725 1.00 0.00 C ATOM 587 O SER A 37 9.181 10.904 -6.367 1.00 0.00 O ATOM 588 CB SER A 37 9.362 8.433 -8.527 1.00 0.00 C ATOM 589 OG SER A 37 10.135 9.503 -9.049 1.00 0.00 O ATOM 0 H SER A 37 7.818 6.972 -7.286 1.00 0.00 H new ATOM 0 HA SER A 37 10.070 8.550 -6.488 1.00 0.00 H new ATOM 0 HB2 SER A 37 9.873 7.489 -8.717 1.00 0.00 H new ATOM 0 HB3 SER A 37 8.405 8.388 -9.047 1.00 0.00 H new ATOM 0 HG SER A 37 10.271 9.370 -10.010 1.00 0.00 H new ATOM 595 N LYS A 38 7.168 10.040 -6.856 1.00 0.00 N ATOM 596 CA LYS A 38 6.490 11.324 -6.763 1.00 0.00 C ATOM 597 C LYS A 38 5.010 11.144 -6.433 1.00 0.00 C ATOM 598 O LYS A 38 4.391 10.172 -6.868 1.00 0.00 O ATOM 599 CB LYS A 38 6.662 12.067 -8.092 1.00 0.00 C ATOM 600 CG LYS A 38 5.987 13.427 -8.153 1.00 0.00 C ATOM 601 CD LYS A 38 6.341 14.158 -9.438 1.00 0.00 C ATOM 602 CE LYS A 38 5.965 13.345 -10.669 1.00 0.00 C ATOM 603 NZ LYS A 38 6.399 14.009 -11.927 1.00 0.00 N ATOM 0 H LYS A 38 6.552 9.245 -7.026 1.00 0.00 H new ATOM 0 HA LYS A 38 6.932 11.907 -5.955 1.00 0.00 H new ATOM 0 HB2 LYS A 38 7.727 12.197 -8.285 1.00 0.00 H new ATOM 0 HB3 LYS A 38 6.266 11.444 -8.894 1.00 0.00 H new ATOM 0 HG2 LYS A 38 4.906 13.303 -8.088 1.00 0.00 H new ATOM 0 HG3 LYS A 38 6.291 14.026 -7.295 1.00 0.00 H new ATOM 0 HD2 LYS A 38 5.826 15.118 -9.464 1.00 0.00 H new ATOM 0 HD3 LYS A 38 7.410 14.369 -9.454 1.00 0.00 H new ATOM 0 HE2 LYS A 38 6.421 12.357 -10.604 1.00 0.00 H new ATOM 0 HE3 LYS A 38 4.885 13.197 -10.690 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 6.124 13.423 -12.741 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 5.945 14.941 -12.002 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 7.432 14.127 -11.919 1.00 0.00 H new ATOM 617 N SER A 39 4.469 12.076 -5.642 1.00 0.00 N ATOM 618 CA SER A 39 3.046 12.100 -5.303 1.00 0.00 C ATOM 619 C SER A 39 2.664 10.914 -4.416 1.00 0.00 C ATOM 620 O SER A 39 3.524 10.304 -3.774 1.00 0.00 O ATOM 621 CB SER A 39 2.198 12.111 -6.581 1.00 0.00 C ATOM 622 OG SER A 39 2.556 13.192 -7.428 1.00 0.00 O ATOM 0 H SER A 39 5.006 12.833 -5.220 1.00 0.00 H new ATOM 0 HA SER A 39 2.848 13.012 -4.739 1.00 0.00 H new ATOM 0 HB2 SER A 39 2.328 11.170 -7.115 1.00 0.00 H new ATOM 0 HB3 SER A 39 1.143 12.185 -6.319 1.00 0.00 H new ATOM 0 HG SER A 39 2.001 13.173 -8.235 1.00 0.00 H new ATOM 628 N TRP A 40 1.362 10.628 -4.354 1.00 0.00 N ATOM 629 CA TRP A 40 0.848 9.465 -3.637 1.00 0.00 C ATOM 630 C TRP A 40 1.535 8.199 -4.141 1.00 0.00 C ATOM 631 O TRP A 40 1.779 8.054 -5.340 1.00 0.00 O ATOM 632 CB TRP A 40 -0.666 9.340 -3.838 1.00 0.00 C ATOM 633 CG TRP A 40 -1.474 10.420 -3.176 1.00 0.00 C ATOM 634 CD1 TRP A 40 -1.194 11.758 -3.132 1.00 0.00 C ATOM 635 CD2 TRP A 40 -2.718 10.250 -2.482 1.00 0.00 C ATOM 636 NE1 TRP A 40 -2.174 12.423 -2.439 1.00 0.00 N ATOM 637 CE2 TRP A 40 -3.123 11.522 -2.034 1.00 0.00 C ATOM 638 CE3 TRP A 40 -3.528 9.146 -2.193 1.00 0.00 C ATOM 639 CZ2 TRP A 40 -4.299 11.719 -1.313 1.00 0.00 C ATOM 640 CZ3 TRP A 40 -4.695 9.344 -1.478 1.00 0.00 C ATOM 641 CH2 TRP A 40 -5.071 10.622 -1.046 1.00 0.00 C ATOM 0 H TRP A 40 0.639 11.195 -4.798 1.00 0.00 H new ATOM 0 HA TRP A 40 1.055 9.593 -2.575 1.00 0.00 H new ATOM 0 HB2 TRP A 40 -0.880 9.347 -4.907 1.00 0.00 H new ATOM 0 HB3 TRP A 40 -0.992 8.373 -3.455 1.00 0.00 H new ATOM 0 HD1 TRP A 40 -0.327 12.224 -3.578 1.00 0.00 H new ATOM 0 HE1 TRP A 40 -2.193 13.426 -2.255 1.00 0.00 H new ATOM 0 HE3 TRP A 40 -3.247 8.157 -2.523 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 -4.591 12.703 -0.977 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 -5.327 8.499 -1.249 1.00 0.00 H new ATOM 0 HH2 TRP A 40 -5.989 10.744 -0.491 1.00 0.00 H new ATOM 652 N TRP A 41 1.833 7.286 -3.234 1.00 0.00 N ATOM 653 CA TRP A 41 2.583 6.093 -3.588 1.00 0.00 C ATOM 654 C TRP A 41 1.712 5.105 -4.352 1.00 0.00 C ATOM 655 O TRP A 41 0.539 4.903 -4.030 1.00 0.00 O ATOM 656 CB TRP A 41 3.180 5.431 -2.345 1.00 0.00 C ATOM 657 CG TRP A 41 4.311 6.211 -1.744 1.00 0.00 C ATOM 658 CD1 TRP A 41 4.826 7.391 -2.198 1.00 0.00 C ATOM 659 CD2 TRP A 41 5.076 5.862 -0.587 1.00 0.00 C ATOM 660 NE1 TRP A 41 5.855 7.800 -1.389 1.00 0.00 N ATOM 661 CE2 TRP A 41 6.028 6.879 -0.393 1.00 0.00 C ATOM 662 CE3 TRP A 41 5.038 4.793 0.309 1.00 0.00 C ATOM 663 CZ2 TRP A 41 6.938 6.856 0.660 1.00 0.00 C ATOM 664 CZ3 TRP A 41 5.947 4.767 1.349 1.00 0.00 C ATOM 665 CH2 TRP A 41 6.882 5.794 1.520 1.00 0.00 C ATOM 0 H TRP A 41 1.569 7.347 -2.251 1.00 0.00 H new ATOM 0 HA TRP A 41 3.402 6.399 -4.239 1.00 0.00 H new ATOM 0 HB2 TRP A 41 2.397 5.305 -1.597 1.00 0.00 H new ATOM 0 HB3 TRP A 41 3.534 4.434 -2.607 1.00 0.00 H new ATOM 0 HD1 TRP A 41 4.474 7.925 -3.068 1.00 0.00 H new ATOM 0 HE1 TRP A 41 6.402 8.652 -1.510 1.00 0.00 H new ATOM 0 HE3 TRP A 41 4.312 4.002 0.192 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 7.661 7.647 0.793 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 5.936 3.939 2.043 1.00 0.00 H new ATOM 0 HH2 TRP A 41 7.574 5.747 2.348 1.00 0.00 H new ATOM 676 N ARG A 42 2.303 4.497 -5.365 1.00 0.00 N ATOM 677 CA ARG A 42 1.591 3.595 -6.255 1.00 0.00 C ATOM 678 C ARG A 42 1.827 2.154 -5.830 1.00 0.00 C ATOM 679 O ARG A 42 2.928 1.617 -5.995 1.00 0.00 O ATOM 680 CB ARG A 42 2.079 3.830 -7.683 1.00 0.00 C ATOM 681 CG ARG A 42 1.263 3.139 -8.760 1.00 0.00 C ATOM 682 CD ARG A 42 1.848 3.423 -10.133 1.00 0.00 C ATOM 683 NE ARG A 42 1.060 2.836 -11.210 1.00 0.00 N ATOM 684 CZ ARG A 42 1.570 2.052 -12.159 1.00 0.00 C ATOM 685 NH1 ARG A 42 2.870 1.768 -12.167 1.00 0.00 N ATOM 686 NH2 ARG A 42 0.788 1.564 -13.114 1.00 0.00 N ATOM 0 H ARG A 42 3.290 4.614 -5.595 1.00 0.00 H new ATOM 0 HA ARG A 42 0.519 3.787 -6.207 1.00 0.00 H new ATOM 0 HB2 ARG A 42 2.079 4.902 -7.879 1.00 0.00 H new ATOM 0 HB3 ARG A 42 3.113 3.492 -7.758 1.00 0.00 H new ATOM 0 HG2 ARG A 42 1.247 2.064 -8.580 1.00 0.00 H new ATOM 0 HG3 ARG A 42 0.230 3.484 -8.720 1.00 0.00 H new ATOM 0 HD2 ARG A 42 1.912 4.501 -10.281 1.00 0.00 H new ATOM 0 HD3 ARG A 42 2.865 3.034 -10.178 1.00 0.00 H new ATOM 0 HE ARG A 42 0.060 3.037 -11.239 1.00 0.00 H new ATOM 0 HH11 ARG A 42 3.480 2.151 -11.445 1.00 0.00 H new ATOM 0 HH12 ARG A 42 3.256 1.167 -12.895 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -0.207 1.789 -13.123 1.00 0.00 H new ATOM 0 HH22 ARG A 42 1.182 0.964 -13.839 1.00 0.00 H new ATOM 700 N VAL A 43 0.797 1.533 -5.275 1.00 0.00 N ATOM 701 CA VAL A 43 0.924 0.197 -4.709 1.00 0.00 C ATOM 702 C VAL A 43 -0.196 -0.731 -5.154 1.00 0.00 C ATOM 703 O VAL A 43 -1.232 -0.293 -5.658 1.00 0.00 O ATOM 704 CB VAL A 43 0.930 0.228 -3.169 1.00 0.00 C ATOM 705 CG1 VAL A 43 2.263 0.727 -2.641 1.00 0.00 C ATOM 706 CG2 VAL A 43 -0.209 1.089 -2.651 1.00 0.00 C ATOM 0 H VAL A 43 -0.138 1.933 -5.204 1.00 0.00 H new ATOM 0 HA VAL A 43 1.876 -0.183 -5.079 1.00 0.00 H new ATOM 0 HB VAL A 43 0.785 -0.790 -2.807 1.00 0.00 H new ATOM 0 HG11 VAL A 43 2.241 0.739 -1.551 1.00 0.00 H new ATOM 0 HG12 VAL A 43 3.060 0.065 -2.980 1.00 0.00 H new ATOM 0 HG13 VAL A 43 2.447 1.735 -3.012 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -0.190 1.100 -1.561 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -0.096 2.106 -3.026 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -1.159 0.680 -2.993 1.00 0.00 H new ATOM 716 N ARG A 44 0.029 -2.017 -4.946 1.00 0.00 N ATOM 717 CA ARG A 44 -0.959 -3.049 -5.209 1.00 0.00 C ATOM 718 C ARG A 44 -1.022 -3.958 -3.985 1.00 0.00 C ATOM 719 O ARG A 44 0.006 -4.435 -3.516 1.00 0.00 O ATOM 720 CB ARG A 44 -0.562 -3.826 -6.469 1.00 0.00 C ATOM 721 CG ARG A 44 -1.643 -4.747 -7.038 1.00 0.00 C ATOM 722 CD ARG A 44 -1.655 -6.117 -6.378 1.00 0.00 C ATOM 723 NE ARG A 44 -2.185 -7.146 -7.272 1.00 0.00 N ATOM 724 CZ ARG A 44 -1.751 -8.409 -7.287 1.00 0.00 C ATOM 725 NH1 ARG A 44 -0.790 -8.792 -6.458 1.00 0.00 N ATOM 726 NH2 ARG A 44 -2.274 -9.289 -8.135 1.00 0.00 N ATOM 0 H ARG A 44 0.912 -2.378 -4.586 1.00 0.00 H new ATOM 0 HA ARG A 44 -1.945 -2.618 -5.386 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -0.274 -3.112 -7.240 1.00 0.00 H new ATOM 0 HB3 ARG A 44 0.320 -4.425 -6.243 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -2.618 -4.278 -6.909 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -1.485 -4.866 -8.110 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -0.642 -6.384 -6.076 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -2.258 -6.078 -5.471 1.00 0.00 H new ATOM 0 HE ARG A 44 -2.928 -6.884 -7.920 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -0.381 -8.122 -5.807 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -0.460 -9.757 -6.471 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -3.011 -9.001 -8.779 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -1.938 -10.252 -8.142 1.00 0.00 H new ATOM 740 N ASN A 45 -2.214 -4.169 -3.459 1.00 0.00 N ATOM 741 CA ASN A 45 -2.370 -4.845 -2.175 1.00 0.00 C ATOM 742 C ASN A 45 -2.829 -6.296 -2.346 1.00 0.00 C ATOM 743 O ASN A 45 -2.964 -6.793 -3.466 1.00 0.00 O ATOM 744 CB ASN A 45 -3.370 -4.076 -1.307 1.00 0.00 C ATOM 745 CG ASN A 45 -4.789 -4.104 -1.853 1.00 0.00 C ATOM 746 OD1 ASN A 45 -5.021 -4.336 -3.043 1.00 0.00 O ATOM 747 ND2 ASN A 45 -5.743 -3.831 -0.988 1.00 0.00 N ATOM 0 H ASN A 45 -3.090 -3.884 -3.897 1.00 0.00 H new ATOM 0 HA ASN A 45 -1.396 -4.866 -1.686 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -3.367 -4.497 -0.302 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -3.043 -3.040 -1.219 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -6.716 -3.806 -1.293 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -5.509 -3.645 -0.013 1.00 0.00 H new ATOM 754 N SER A 46 -3.084 -6.960 -1.221 1.00 0.00 N ATOM 755 CA SER A 46 -3.493 -8.362 -1.205 1.00 0.00 C ATOM 756 C SER A 46 -4.920 -8.545 -1.721 1.00 0.00 C ATOM 757 O SER A 46 -5.337 -9.660 -2.046 1.00 0.00 O ATOM 758 CB SER A 46 -3.365 -8.894 0.217 1.00 0.00 C ATOM 759 OG SER A 46 -3.869 -7.949 1.145 1.00 0.00 O ATOM 0 H SER A 46 -3.013 -6.541 -0.294 1.00 0.00 H new ATOM 0 HA SER A 46 -2.841 -8.924 -1.874 1.00 0.00 H new ATOM 0 HB2 SER A 46 -3.911 -9.833 0.311 1.00 0.00 H new ATOM 0 HB3 SER A 46 -2.320 -9.109 0.439 1.00 0.00 H new ATOM 0 HG SER A 46 -3.782 -8.305 2.054 1.00 0.00 H new ATOM 765 N MET A 47 -5.662 -7.446 -1.801 1.00 0.00 N ATOM 766 CA MET A 47 -7.018 -7.464 -2.347 1.00 0.00 C ATOM 767 C MET A 47 -6.961 -7.497 -3.873 1.00 0.00 C ATOM 768 O MET A 47 -7.991 -7.565 -4.550 1.00 0.00 O ATOM 769 CB MET A 47 -7.801 -6.240 -1.847 1.00 0.00 C ATOM 770 CG MET A 47 -9.241 -6.155 -2.334 1.00 0.00 C ATOM 771 SD MET A 47 -10.252 -7.548 -1.791 1.00 0.00 S ATOM 772 CE MET A 47 -11.824 -7.136 -2.552 1.00 0.00 C ATOM 0 H MET A 47 -5.347 -6.526 -1.493 1.00 0.00 H new ATOM 0 HA MET A 47 -7.536 -8.360 -2.005 1.00 0.00 H new ATOM 0 HB2 MET A 47 -7.802 -6.248 -0.757 1.00 0.00 H new ATOM 0 HB3 MET A 47 -7.274 -5.338 -2.159 1.00 0.00 H new ATOM 0 HG2 MET A 47 -9.686 -5.228 -1.974 1.00 0.00 H new ATOM 0 HG3 MET A 47 -9.248 -6.110 -3.423 1.00 0.00 H new ATOM 0 HE1 MET A 47 -12.558 -7.904 -2.309 1.00 0.00 H new ATOM 0 HE2 MET A 47 -12.169 -6.173 -2.176 1.00 0.00 H new ATOM 0 HE3 MET A 47 -11.701 -7.080 -3.634 1.00 0.00 H new ATOM 782 N ASN A 48 -5.735 -7.464 -4.398 1.00 0.00 N ATOM 783 CA ASN A 48 -5.472 -7.568 -5.833 1.00 0.00 C ATOM 784 C ASN A 48 -5.935 -6.312 -6.558 1.00 0.00 C ATOM 785 O ASN A 48 -6.153 -6.326 -7.767 1.00 0.00 O ATOM 786 CB ASN A 48 -6.151 -8.806 -6.441 1.00 0.00 C ATOM 787 CG ASN A 48 -5.787 -10.098 -5.722 1.00 0.00 C ATOM 788 OD1 ASN A 48 -4.796 -10.752 -6.053 1.00 0.00 O ATOM 789 ND2 ASN A 48 -6.597 -10.479 -4.739 1.00 0.00 N ATOM 0 H ASN A 48 -4.891 -7.364 -3.834 1.00 0.00 H new ATOM 0 HA ASN A 48 -4.395 -7.674 -5.960 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -7.232 -8.672 -6.411 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -5.869 -8.889 -7.491 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -6.408 -11.341 -4.228 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -7.407 -9.909 -4.496 1.00 0.00 H new ATOM 796 N LYS A 49 -6.066 -5.224 -5.814 1.00 0.00 N ATOM 797 CA LYS A 49 -6.450 -3.948 -6.383 1.00 0.00 C ATOM 798 C LYS A 49 -5.223 -3.065 -6.526 1.00 0.00 C ATOM 799 O LYS A 49 -4.161 -3.381 -5.986 1.00 0.00 O ATOM 800 CB LYS A 49 -7.486 -3.259 -5.494 1.00 0.00 C ATOM 801 CG LYS A 49 -8.730 -4.091 -5.228 1.00 0.00 C ATOM 802 CD LYS A 49 -9.467 -4.437 -6.511 1.00 0.00 C ATOM 803 CE LYS A 49 -10.746 -5.210 -6.219 1.00 0.00 C ATOM 804 NZ LYS A 49 -11.479 -5.571 -7.461 1.00 0.00 N ATOM 0 H LYS A 49 -5.910 -5.204 -4.806 1.00 0.00 H new ATOM 0 HA LYS A 49 -6.892 -4.117 -7.365 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -7.021 -3.007 -4.541 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -7.783 -2.320 -5.962 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -8.449 -5.009 -4.712 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -9.397 -3.543 -4.563 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -9.707 -3.523 -7.054 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -8.820 -5.030 -7.157 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -10.502 -6.117 -5.666 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -11.393 -4.610 -5.578 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -12.450 -5.203 -7.410 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -10.994 -5.157 -8.283 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -11.506 -6.606 -7.560 1.00 0.00 H new ATOM 818 N THR A 50 -5.355 -1.973 -7.261 1.00 0.00 N ATOM 819 CA THR A 50 -4.255 -1.041 -7.426 1.00 0.00 C ATOM 820 C THR A 50 -4.754 0.396 -7.376 1.00 0.00 C ATOM 821 O THR A 50 -5.880 0.689 -7.783 1.00 0.00 O ATOM 822 CB THR A 50 -3.523 -1.265 -8.755 1.00 0.00 C ATOM 823 OG1 THR A 50 -3.421 -2.671 -9.027 1.00 0.00 O ATOM 824 CG2 THR A 50 -2.131 -0.661 -8.699 1.00 0.00 C ATOM 0 H THR A 50 -6.211 -1.712 -7.751 1.00 0.00 H new ATOM 0 HA THR A 50 -3.561 -1.219 -6.605 1.00 0.00 H new ATOM 0 HB THR A 50 -4.091 -0.781 -9.549 1.00 0.00 H new ATOM 0 HG1 THR A 50 -2.954 -2.807 -9.878 1.00 0.00 H new ATOM 0 HG21 THR A 50 -1.624 -0.828 -9.649 1.00 0.00 H new ATOM 0 HG22 THR A 50 -2.206 0.410 -8.511 1.00 0.00 H new ATOM 0 HG23 THR A 50 -1.562 -1.131 -7.897 1.00 0.00 H new ATOM 832 N GLY A 51 -3.901 1.280 -6.895 1.00 0.00 N ATOM 833 CA GLY A 51 -4.256 2.675 -6.754 1.00 0.00 C ATOM 834 C GLY A 51 -3.149 3.460 -6.085 1.00 0.00 C ATOM 835 O GLY A 51 -2.000 3.011 -6.053 1.00 0.00 O ATOM 0 H GLY A 51 -2.953 1.053 -6.595 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -4.464 3.100 -7.736 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -5.171 2.762 -6.168 1.00 0.00 H new ATOM 839 N PHE A 52 -3.486 4.621 -5.544 1.00 0.00 N ATOM 840 CA PHE A 52 -2.511 5.471 -4.885 1.00 0.00 C ATOM 841 C PHE A 52 -2.830 5.582 -3.403 1.00 0.00 C ATOM 842 O PHE A 52 -3.996 5.628 -3.011 1.00 0.00 O ATOM 843 CB PHE A 52 -2.495 6.859 -5.526 1.00 0.00 C ATOM 844 CG PHE A 52 -2.034 6.856 -6.959 1.00 0.00 C ATOM 845 CD1 PHE A 52 -0.683 6.807 -7.265 1.00 0.00 C ATOM 846 CD2 PHE A 52 -2.951 6.900 -7.999 1.00 0.00 C ATOM 847 CE1 PHE A 52 -0.257 6.801 -8.580 1.00 0.00 C ATOM 848 CE2 PHE A 52 -2.528 6.894 -9.314 1.00 0.00 C ATOM 849 CZ PHE A 52 -1.180 6.845 -9.605 1.00 0.00 C ATOM 0 H PHE A 52 -4.434 4.996 -5.550 1.00 0.00 H new ATOM 0 HA PHE A 52 -1.524 5.023 -5.000 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -3.497 7.284 -5.476 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -1.843 7.511 -4.945 1.00 0.00 H new ATOM 0 HD1 PHE A 52 0.045 6.773 -6.468 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -4.007 6.939 -7.778 1.00 0.00 H new ATOM 0 HE1 PHE A 52 0.799 6.762 -8.805 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -3.252 6.928 -10.114 1.00 0.00 H new ATOM 0 HZ PHE A 52 -0.848 6.841 -10.633 1.00 0.00 H new ATOM 859 N VAL A 53 -1.791 5.604 -2.588 1.00 0.00 N ATOM 860 CA VAL A 53 -1.950 5.680 -1.144 1.00 0.00 C ATOM 861 C VAL A 53 -1.169 6.847 -0.551 1.00 0.00 C ATOM 862 O VAL A 53 -0.138 7.264 -1.084 1.00 0.00 O ATOM 863 CB VAL A 53 -1.504 4.380 -0.447 1.00 0.00 C ATOM 864 CG1 VAL A 53 -2.473 3.249 -0.747 1.00 0.00 C ATOM 865 CG2 VAL A 53 -0.095 3.999 -0.872 1.00 0.00 C ATOM 0 H VAL A 53 -0.821 5.570 -2.903 1.00 0.00 H new ATOM 0 HA VAL A 53 -3.015 5.832 -0.967 1.00 0.00 H new ATOM 0 HB VAL A 53 -1.504 4.555 0.629 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -2.139 2.341 -0.245 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -3.467 3.517 -0.389 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -2.509 3.077 -1.823 1.00 0.00 H new ATOM 0 HG21 VAL A 53 0.201 3.079 -0.368 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -0.069 3.847 -1.951 1.00 0.00 H new ATOM 0 HG23 VAL A 53 0.595 4.798 -0.602 1.00 0.00 H new ATOM 875 N PRO A 54 -1.674 7.396 0.561 1.00 0.00 N ATOM 876 CA PRO A 54 -1.022 8.496 1.278 1.00 0.00 C ATOM 877 C PRO A 54 0.265 8.059 1.980 1.00 0.00 C ATOM 878 O PRO A 54 0.269 7.108 2.765 1.00 0.00 O ATOM 879 CB PRO A 54 -2.076 8.915 2.310 1.00 0.00 C ATOM 880 CG PRO A 54 -2.906 7.690 2.521 1.00 0.00 C ATOM 881 CD PRO A 54 -2.942 6.993 1.194 1.00 0.00 C ATOM 0 HA PRO A 54 -0.717 9.296 0.604 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -1.612 9.244 3.240 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -2.680 9.745 1.944 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -2.471 7.049 3.288 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -3.911 7.950 2.854 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -3.007 5.911 1.310 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -3.803 7.302 0.601 1.00 0.00 H new ATOM 889 N SER A 55 1.342 8.793 1.727 1.00 0.00 N ATOM 890 CA SER A 55 2.661 8.465 2.263 1.00 0.00 C ATOM 891 C SER A 55 2.725 8.646 3.782 1.00 0.00 C ATOM 892 O SER A 55 3.689 8.238 4.421 1.00 0.00 O ATOM 893 CB SER A 55 3.719 9.337 1.582 1.00 0.00 C ATOM 894 OG SER A 55 3.315 10.696 1.569 1.00 0.00 O ATOM 0 H SER A 55 1.328 9.631 1.146 1.00 0.00 H new ATOM 0 HA SER A 55 2.857 7.413 2.055 1.00 0.00 H new ATOM 0 HB2 SER A 55 4.670 9.240 2.106 1.00 0.00 H new ATOM 0 HB3 SER A 55 3.881 8.991 0.561 1.00 0.00 H new ATOM 0 HG SER A 55 4.004 11.238 1.131 1.00 0.00 H new ATOM 900 N ASN A 56 1.701 9.269 4.355 1.00 0.00 N ATOM 901 CA ASN A 56 1.654 9.483 5.798 1.00 0.00 C ATOM 902 C ASN A 56 1.082 8.266 6.521 1.00 0.00 C ATOM 903 O ASN A 56 1.281 8.098 7.724 1.00 0.00 O ATOM 904 CB ASN A 56 0.825 10.725 6.138 1.00 0.00 C ATOM 905 CG ASN A 56 1.505 12.014 5.726 1.00 0.00 C ATOM 906 OD1 ASN A 56 2.730 12.093 5.672 1.00 0.00 O ATOM 907 ND2 ASN A 56 0.713 13.033 5.443 1.00 0.00 N ATOM 0 H ASN A 56 0.896 9.633 3.846 1.00 0.00 H new ATOM 0 HA ASN A 56 2.678 9.637 6.138 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -0.144 10.656 5.643 1.00 0.00 H new ATOM 0 HB3 ASN A 56 0.634 10.747 7.211 1.00 0.00 H new ATOM 0 HD21 ASN A 56 1.114 13.929 5.167 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -0.299 12.923 5.501 1.00 0.00 H new ATOM 914 N TYR A 57 0.377 7.414 5.783 1.00 0.00 N ATOM 915 CA TYR A 57 -0.256 6.241 6.367 1.00 0.00 C ATOM 916 C TYR A 57 0.471 4.972 5.942 1.00 0.00 C ATOM 917 O TYR A 57 0.478 3.978 6.669 1.00 0.00 O ATOM 918 CB TYR A 57 -1.735 6.178 5.973 1.00 0.00 C ATOM 919 CG TYR A 57 -2.602 7.169 6.723 1.00 0.00 C ATOM 920 CD1 TYR A 57 -2.636 8.511 6.365 1.00 0.00 C ATOM 921 CD2 TYR A 57 -3.377 6.760 7.800 1.00 0.00 C ATOM 922 CE1 TYR A 57 -3.417 9.414 7.060 1.00 0.00 C ATOM 923 CE2 TYR A 57 -4.161 7.657 8.497 1.00 0.00 C ATOM 924 CZ TYR A 57 -4.177 8.981 8.126 1.00 0.00 C ATOM 925 OH TYR A 57 -4.954 9.878 8.824 1.00 0.00 O ATOM 0 H TYR A 57 0.231 7.516 4.779 1.00 0.00 H new ATOM 0 HA TYR A 57 -0.194 6.320 7.452 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -1.826 6.364 4.903 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -2.109 5.170 6.154 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -2.043 8.854 5.530 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -3.366 5.722 8.098 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -3.432 10.454 6.770 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -4.760 7.320 9.331 1.00 0.00 H new ATOM 0 HH TYR A 57 -5.427 9.410 9.544 1.00 0.00 H new ATOM 935 N VAL A 58 1.101 5.017 4.774 1.00 0.00 N ATOM 936 CA VAL A 58 1.889 3.895 4.289 1.00 0.00 C ATOM 937 C VAL A 58 3.366 4.247 4.332 1.00 0.00 C ATOM 938 O VAL A 58 3.734 5.414 4.184 1.00 0.00 O ATOM 939 CB VAL A 58 1.520 3.499 2.844 1.00 0.00 C ATOM 940 CG1 VAL A 58 0.059 3.127 2.733 1.00 0.00 C ATOM 941 CG2 VAL A 58 1.860 4.608 1.866 1.00 0.00 C ATOM 0 H VAL A 58 1.080 5.820 4.146 1.00 0.00 H new ATOM 0 HA VAL A 58 1.672 3.049 4.941 1.00 0.00 H new ATOM 0 HB VAL A 58 2.115 2.623 2.586 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -0.169 2.853 1.703 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -0.152 2.282 3.389 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -0.556 3.977 3.027 1.00 0.00 H new ATOM 0 HG21 VAL A 58 1.588 4.299 0.857 1.00 0.00 H new ATOM 0 HG22 VAL A 58 1.307 5.509 2.131 1.00 0.00 H new ATOM 0 HG23 VAL A 58 2.930 4.814 1.907 1.00 0.00 H new ATOM 951 N GLU A 59 4.210 3.253 4.540 1.00 0.00 N ATOM 952 CA GLU A 59 5.639 3.487 4.625 1.00 0.00 C ATOM 953 C GLU A 59 6.413 2.415 3.874 1.00 0.00 C ATOM 954 O GLU A 59 5.858 1.389 3.483 1.00 0.00 O ATOM 955 CB GLU A 59 6.087 3.552 6.088 1.00 0.00 C ATOM 956 CG GLU A 59 5.449 4.696 6.857 1.00 0.00 C ATOM 957 CD GLU A 59 6.072 4.905 8.221 1.00 0.00 C ATOM 958 OE1 GLU A 59 7.172 5.489 8.289 1.00 0.00 O ATOM 959 OE2 GLU A 59 5.469 4.494 9.234 1.00 0.00 O ATOM 0 H GLU A 59 3.931 2.278 4.653 1.00 0.00 H new ATOM 0 HA GLU A 59 5.853 4.447 4.156 1.00 0.00 H new ATOM 0 HB2 GLU A 59 5.841 2.610 6.579 1.00 0.00 H new ATOM 0 HB3 GLU A 59 7.171 3.657 6.125 1.00 0.00 H new ATOM 0 HG2 GLU A 59 5.540 5.614 6.276 1.00 0.00 H new ATOM 0 HG3 GLU A 59 4.384 4.499 6.976 1.00 0.00 H new ATOM 966 N ARG A 60 7.693 2.685 3.653 1.00 0.00 N ATOM 967 CA ARG A 60 8.580 1.755 2.969 1.00 0.00 C ATOM 968 C ARG A 60 8.954 0.599 3.899 1.00 0.00 C ATOM 969 O ARG A 60 8.178 0.239 4.784 1.00 0.00 O ATOM 970 CB ARG A 60 9.825 2.508 2.485 1.00 0.00 C ATOM 971 CG ARG A 60 9.518 3.477 1.351 1.00 0.00 C ATOM 972 CD ARG A 60 10.511 4.631 1.283 1.00 0.00 C ATOM 973 NE ARG A 60 11.875 4.185 1.010 1.00 0.00 N ATOM 974 CZ ARG A 60 12.672 4.750 0.100 1.00 0.00 C ATOM 975 NH1 ARG A 60 12.221 5.736 -0.670 1.00 0.00 N ATOM 976 NH2 ARG A 60 13.915 4.313 -0.049 1.00 0.00 N ATOM 0 H ARG A 60 8.144 3.553 3.942 1.00 0.00 H new ATOM 0 HA ARG A 60 8.072 1.330 2.103 1.00 0.00 H new ATOM 0 HB2 ARG A 60 10.260 3.057 3.320 1.00 0.00 H new ATOM 0 HB3 ARG A 60 10.573 1.789 2.151 1.00 0.00 H new ATOM 0 HG2 ARG A 60 9.528 2.937 0.404 1.00 0.00 H new ATOM 0 HG3 ARG A 60 8.512 3.875 1.480 1.00 0.00 H new ATOM 0 HD2 ARG A 60 10.199 5.328 0.506 1.00 0.00 H new ATOM 0 HD3 ARG A 60 10.493 5.176 2.227 1.00 0.00 H new ATOM 0 HE ARG A 60 12.239 3.397 1.545 1.00 0.00 H new ATOM 0 HH11 ARG A 60 11.261 6.065 -0.567 1.00 0.00 H new ATOM 0 HH12 ARG A 60 12.835 6.163 -1.363 1.00 0.00 H new ATOM 0 HH21 ARG A 60 14.259 3.548 0.531 1.00 0.00 H new ATOM 0 HH22 ARG A 60 14.527 4.742 -0.743 1.00 0.00 H new ATOM 990 N LYS A 61 10.126 0.011 3.701 1.00 0.00 N ATOM 991 CA LYS A 61 10.546 -1.116 4.522 1.00 0.00 C ATOM 992 C LYS A 61 10.923 -0.651 5.928 1.00 0.00 C ATOM 993 O LYS A 61 12.091 -0.377 6.215 1.00 0.00 O ATOM 994 CB LYS A 61 11.712 -1.866 3.872 1.00 0.00 C ATOM 995 CG LYS A 61 11.376 -2.450 2.508 1.00 0.00 C ATOM 996 CD LYS A 61 12.427 -3.448 2.051 1.00 0.00 C ATOM 997 CE LYS A 61 12.459 -4.665 2.963 1.00 0.00 C ATOM 998 NZ LYS A 61 13.474 -5.665 2.543 1.00 0.00 N ATOM 0 H LYS A 61 10.797 0.292 2.986 1.00 0.00 H new ATOM 0 HA LYS A 61 9.704 -1.804 4.602 1.00 0.00 H new ATOM 0 HB2 LYS A 61 12.558 -1.186 3.769 1.00 0.00 H new ATOM 0 HB3 LYS A 61 12.030 -2.671 4.534 1.00 0.00 H new ATOM 0 HG2 LYS A 61 10.403 -2.940 2.551 1.00 0.00 H new ATOM 0 HG3 LYS A 61 11.296 -1.645 1.777 1.00 0.00 H new ATOM 0 HD2 LYS A 61 12.215 -3.761 1.029 1.00 0.00 H new ATOM 0 HD3 LYS A 61 13.407 -2.971 2.042 1.00 0.00 H new ATOM 0 HE2 LYS A 61 12.670 -4.345 3.983 1.00 0.00 H new ATOM 0 HE3 LYS A 61 11.475 -5.133 2.973 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 13.455 -6.474 3.196 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 13.260 -5.993 1.580 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 14.418 -5.229 2.559 1.00 0.00 H new ATOM 1012 N ASN A 62 9.907 -0.519 6.773 1.00 0.00 N ATOM 1013 CA ASN A 62 10.076 -0.164 8.180 1.00 0.00 C ATOM 1014 C ASN A 62 8.744 -0.313 8.904 1.00 0.00 C ATOM 1015 O ASN A 62 7.781 0.381 8.583 1.00 0.00 O ATOM 1016 CB ASN A 62 10.583 1.272 8.331 1.00 0.00 C ATOM 1017 CG ASN A 62 10.786 1.661 9.783 1.00 0.00 C ATOM 1018 OD1 ASN A 62 11.135 0.830 10.619 1.00 0.00 O ATOM 1019 ND2 ASN A 62 10.561 2.928 10.094 1.00 0.00 N ATOM 0 H ASN A 62 8.934 -0.656 6.500 1.00 0.00 H new ATOM 0 HA ASN A 62 10.816 -0.835 8.617 1.00 0.00 H new ATOM 0 HB2 ASN A 62 11.525 1.381 7.793 1.00 0.00 H new ATOM 0 HB3 ASN A 62 9.871 1.957 7.870 1.00 0.00 H new ATOM 0 HD21 ASN A 62 10.676 3.245 11.057 1.00 0.00 H new ATOM 0 HD22 ASN A 62 10.273 3.587 9.371 1.00 0.00 H new ATOM 1026 N SER A 63 8.687 -1.223 9.862 1.00 0.00 N ATOM 1027 CA SER A 63 7.444 -1.510 10.567 1.00 0.00 C ATOM 1028 C SER A 63 7.291 -0.615 11.795 1.00 0.00 C ATOM 1029 O SER A 63 7.741 -1.014 12.889 1.00 0.00 O ATOM 1030 CB SER A 63 7.418 -2.985 10.968 1.00 0.00 C ATOM 1031 OG SER A 63 7.704 -3.809 9.847 1.00 0.00 O ATOM 0 H SER A 63 9.486 -1.777 10.171 1.00 0.00 H new ATOM 0 HA SER A 63 6.605 -1.303 9.903 1.00 0.00 H new ATOM 0 HB2 SER A 63 8.148 -3.167 11.756 1.00 0.00 H new ATOM 0 HB3 SER A 63 6.440 -3.240 11.375 1.00 0.00 H new ATOM 0 HG SER A 63 7.685 -4.750 10.120 1.00 0.00 H new TER 1037 SER A 63