USER MOD reduce.3.24.130724 H: found=0, std=0, add=698, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 697 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 87 THR OG1 : rot 76:sc= 0.032 USER MOD Set 1.2: A 92 TYR OH : rot 50:sc= 0.476 USER MOD Set 2.1: A 7 THR OG1 : rot -47:sc= -0.73! USER MOD Set 2.2: A 91 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 13 ASN : amide:sc= 0.445 K(o=-5.5,f=-18!) USER MOD Set 3.2: A 16 HIS : no HE2:sc= -5.91! C(o=-5.5!,f=-6.6!) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 SER OG : rot -22:sc= -3.28! USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 TYR OH : rot -24:sc= 0.165 USER MOD Single : A 27 THR OG1 : rot -160:sc= -1.53 USER MOD Single : A 28 MET CE :methyl -156:sc= -0.0842 (180deg=-0.402) USER MOD Single : A 36 HIS : no HD1:sc= -0.359 X(o=-0.36,f=-0.18) USER MOD Single : A 38 SER OG : rot -150:sc= -0.106 USER MOD Single : A 44 MET CE :methyl 175:sc= -4.2! (180deg=-4.51!) USER MOD Single : A 45 THR OG1 : rot 180:sc= -0.0438 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 61 GLN : amide:sc= 0 X(o=0,f=-0.33!) USER MOD Single : A 65 ASN : amide:sc= -2.1 X(o=-2.1,f=-2.4!) USER MOD Single : A 70 THR OG1 : rot -87:sc= -0.074 USER MOD Single : A 72 LYS NZ :NH3+ -146:sc= 0.187 (180deg=0) USER MOD Single : A 74 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 ASN : amide:sc= -1.02 K(o=-1,f=0.34) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 TYR OH : rot 67:sc= 1.04 USER MOD ----------------------------------------------------------------- ATOM 33 N LYS A 3 7.930 13.712 29.227 1.00 0.00 N ATOM 34 CA LYS A 3 9.382 13.634 29.341 1.00 0.00 C ATOM 35 C LYS A 3 9.957 14.991 29.723 1.00 0.00 C ATOM 36 O LYS A 3 11.048 15.359 29.287 1.00 0.00 O ATOM 37 CB LYS A 3 9.985 13.171 28.019 1.00 0.00 C ATOM 38 CG LYS A 3 9.430 11.813 27.601 1.00 0.00 C ATOM 39 CD LYS A 3 9.908 11.431 26.203 1.00 0.00 C ATOM 40 CE LYS A 3 9.500 10.005 25.847 1.00 0.00 C ATOM 41 NZ LYS A 3 8.083 9.946 25.390 1.00 0.00 N ATOM 0 HA LYS A 3 9.632 12.914 30.120 1.00 0.00 H new ATOM 0 HB2 LYS A 3 9.774 13.907 27.243 1.00 0.00 H new ATOM 0 HB3 LYS A 3 11.069 13.110 28.113 1.00 0.00 H new ATOM 0 HG2 LYS A 3 9.744 11.053 28.316 1.00 0.00 H new ATOM 0 HG3 LYS A 3 8.341 11.840 27.622 1.00 0.00 H new ATOM 0 HD2 LYS A 3 9.491 12.124 25.472 1.00 0.00 H new ATOM 0 HD3 LYS A 3 10.993 11.525 26.149 1.00 0.00 H new ATOM 0 HE2 LYS A 3 10.154 9.622 25.063 1.00 0.00 H new ATOM 0 HE3 LYS A 3 9.632 9.359 26.715 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 7.835 8.964 25.155 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 7.459 10.289 26.148 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 7.965 10.544 24.547 1.00 0.00 H new ATOM 55 N VAL A 4 9.218 15.733 30.541 1.00 0.00 N ATOM 56 CA VAL A 4 9.655 17.053 30.984 1.00 0.00 C ATOM 57 C VAL A 4 10.659 16.924 32.120 1.00 0.00 C ATOM 58 O VAL A 4 10.770 15.871 32.747 1.00 0.00 O ATOM 59 CB VAL A 4 8.455 17.873 31.447 1.00 0.00 C ATOM 60 CG1 VAL A 4 7.555 18.216 30.265 1.00 0.00 C ATOM 61 CG2 VAL A 4 7.672 17.119 32.518 1.00 0.00 C ATOM 0 H VAL A 4 8.313 15.443 30.911 1.00 0.00 H new ATOM 0 HA VAL A 4 10.133 17.560 30.146 1.00 0.00 H new ATOM 0 HB VAL A 4 8.820 18.803 31.882 1.00 0.00 H new ATOM 0 HG11 VAL A 4 6.704 18.801 30.613 1.00 0.00 H new ATOM 0 HG12 VAL A 4 8.119 18.796 29.534 1.00 0.00 H new ATOM 0 HG13 VAL A 4 7.198 17.297 29.801 1.00 0.00 H new ATOM 0 HG21 VAL A 4 6.820 17.719 32.836 1.00 0.00 H new ATOM 0 HG22 VAL A 4 7.317 16.172 32.111 1.00 0.00 H new ATOM 0 HG23 VAL A 4 8.319 16.926 33.374 1.00 0.00 H new ATOM 71 N THR A 5 11.387 18.004 32.382 1.00 0.00 N ATOM 72 CA THR A 5 12.385 18.015 33.446 1.00 0.00 C ATOM 73 C THR A 5 12.761 19.446 33.808 1.00 0.00 C ATOM 74 O THR A 5 13.043 20.264 32.933 1.00 0.00 O ATOM 75 CB THR A 5 13.630 17.251 33.005 1.00 0.00 C ATOM 76 OG1 THR A 5 13.835 17.419 31.611 1.00 0.00 O ATOM 77 CG2 THR A 5 13.506 15.767 33.340 1.00 0.00 C ATOM 0 H THR A 5 11.305 18.884 31.872 1.00 0.00 H new ATOM 0 HA THR A 5 11.959 17.530 34.324 1.00 0.00 H new ATOM 0 HB THR A 5 14.487 17.653 33.545 1.00 0.00 H new ATOM 0 HG1 THR A 5 14.637 16.927 31.337 1.00 0.00 H new ATOM 0 HG21 THR A 5 14.406 15.244 33.016 1.00 0.00 H new ATOM 0 HG22 THR A 5 13.384 15.646 34.416 1.00 0.00 H new ATOM 0 HG23 THR A 5 12.639 15.349 32.827 1.00 0.00 H new ATOM 85 N PHE A 6 12.770 19.740 35.104 1.00 0.00 N ATOM 86 CA PHE A 6 13.119 21.071 35.585 1.00 0.00 C ATOM 87 C PHE A 6 14.535 21.065 36.148 1.00 0.00 C ATOM 88 O PHE A 6 15.190 20.023 36.183 1.00 0.00 O ATOM 89 CB PHE A 6 12.126 21.518 36.654 1.00 0.00 C ATOM 90 CG PHE A 6 10.689 21.361 36.218 1.00 0.00 C ATOM 91 CD1 PHE A 6 10.123 20.097 36.137 1.00 0.00 C ATOM 92 CD2 PHE A 6 9.932 22.480 35.900 1.00 0.00 C ATOM 93 CE1 PHE A 6 8.804 19.954 35.739 1.00 0.00 C ATOM 94 CE2 PHE A 6 8.613 22.333 35.502 1.00 0.00 C ATOM 95 CZ PHE A 6 8.050 21.071 35.422 1.00 0.00 C ATOM 0 H PHE A 6 12.539 19.073 35.841 1.00 0.00 H new ATOM 0 HA PHE A 6 13.075 21.773 34.752 1.00 0.00 H new ATOM 0 HB2 PHE A 6 12.291 20.938 37.562 1.00 0.00 H new ATOM 0 HB3 PHE A 6 12.313 22.562 36.904 1.00 0.00 H new ATOM 0 HD1 PHE A 6 10.710 19.225 36.384 1.00 0.00 H new ATOM 0 HD2 PHE A 6 10.371 23.465 35.963 1.00 0.00 H new ATOM 0 HE1 PHE A 6 8.363 18.970 35.676 1.00 0.00 H new ATOM 0 HE2 PHE A 6 8.024 23.204 35.254 1.00 0.00 H new ATOM 0 HZ PHE A 6 7.022 20.958 35.112 1.00 0.00 H new ATOM 105 N THR A 7 15.009 22.229 36.583 1.00 0.00 N ATOM 106 CA THR A 7 16.358 22.344 37.136 1.00 0.00 C ATOM 107 C THR A 7 16.541 23.681 37.840 1.00 0.00 C ATOM 108 O THR A 7 16.284 24.736 37.263 1.00 0.00 O ATOM 109 CB THR A 7 17.391 22.214 36.019 1.00 0.00 C ATOM 110 OG1 THR A 7 16.990 21.215 35.095 1.00 0.00 O ATOM 111 CG2 THR A 7 18.766 21.880 36.589 1.00 0.00 C ATOM 0 H THR A 7 14.483 23.103 36.564 1.00 0.00 H new ATOM 0 HA THR A 7 16.499 21.543 37.861 1.00 0.00 H new ATOM 0 HB THR A 7 17.457 23.171 35.501 1.00 0.00 H new ATOM 0 HG1 THR A 7 16.708 20.413 35.582 1.00 0.00 H new ATOM 0 HG21 THR A 7 19.486 21.792 35.775 1.00 0.00 H new ATOM 0 HG22 THR A 7 19.081 22.673 37.268 1.00 0.00 H new ATOM 0 HG23 THR A 7 18.715 20.936 37.132 1.00 0.00 H new ATOM 119 N VAL A 8 16.999 23.630 39.086 1.00 0.00 N ATOM 120 CA VAL A 8 17.228 24.841 39.867 1.00 0.00 C ATOM 121 C VAL A 8 18.432 25.600 39.323 1.00 0.00 C ATOM 122 O VAL A 8 19.540 25.490 39.849 1.00 0.00 O ATOM 123 CB VAL A 8 17.449 24.478 41.332 1.00 0.00 C ATOM 124 CG1 VAL A 8 17.758 25.727 42.156 1.00 0.00 C ATOM 125 CG2 VAL A 8 16.222 23.763 41.889 1.00 0.00 C ATOM 0 H VAL A 8 17.219 22.764 39.577 1.00 0.00 H new ATOM 0 HA VAL A 8 16.351 25.483 39.790 1.00 0.00 H new ATOM 0 HB VAL A 8 18.305 23.806 41.396 1.00 0.00 H new ATOM 0 HG11 VAL A 8 17.912 25.447 43.198 1.00 0.00 H new ATOM 0 HG12 VAL A 8 18.660 26.203 41.771 1.00 0.00 H new ATOM 0 HG13 VAL A 8 16.923 26.424 42.088 1.00 0.00 H new ATOM 0 HG21 VAL A 8 16.392 23.509 42.935 1.00 0.00 H new ATOM 0 HG22 VAL A 8 15.353 24.417 41.811 1.00 0.00 H new ATOM 0 HG23 VAL A 8 16.042 22.851 41.319 1.00 0.00 H new ATOM 135 N GLU A 9 18.204 26.370 38.264 1.00 0.00 N ATOM 136 CA GLU A 9 19.259 27.156 37.634 1.00 0.00 C ATOM 137 C GLU A 9 20.033 27.955 38.674 1.00 0.00 C ATOM 138 O GLU A 9 19.724 27.910 39.865 1.00 0.00 O ATOM 139 CB GLU A 9 18.650 28.103 36.605 1.00 0.00 C ATOM 140 CG GLU A 9 18.413 27.393 35.276 1.00 0.00 C ATOM 141 CD GLU A 9 19.429 27.856 34.242 1.00 0.00 C ATOM 142 OE1 GLU A 9 20.636 27.600 34.437 1.00 0.00 O ATOM 143 OE2 GLU A 9 19.018 28.475 33.238 1.00 0.00 O ATOM 0 H GLU A 9 17.290 26.467 37.821 1.00 0.00 H new ATOM 0 HA GLU A 9 19.950 26.474 37.139 1.00 0.00 H new ATOM 0 HB2 GLU A 9 17.707 28.498 36.983 1.00 0.00 H new ATOM 0 HB3 GLU A 9 19.313 28.954 36.453 1.00 0.00 H new ATOM 0 HG2 GLU A 9 18.489 26.314 35.413 1.00 0.00 H new ATOM 0 HG3 GLU A 9 17.403 27.598 34.921 1.00 0.00 H new ATOM 150 N LYS A 10 21.038 28.690 38.213 1.00 0.00 N ATOM 151 CA LYS A 10 21.862 29.507 39.096 1.00 0.00 C ATOM 152 C LYS A 10 21.055 30.669 39.672 1.00 0.00 C ATOM 153 O LYS A 10 21.467 31.288 40.653 1.00 0.00 O ATOM 154 CB LYS A 10 23.066 30.043 38.328 1.00 0.00 C ATOM 155 CG LYS A 10 24.238 29.069 38.395 1.00 0.00 C ATOM 156 CD LYS A 10 25.566 29.809 38.532 1.00 0.00 C ATOM 157 CE LYS A 10 26.487 29.109 39.527 1.00 0.00 C ATOM 158 NZ LYS A 10 27.153 27.927 38.911 1.00 0.00 N ATOM 0 H LYS A 10 21.303 28.737 37.229 1.00 0.00 H new ATOM 0 HA LYS A 10 22.205 28.884 39.922 1.00 0.00 H new ATOM 0 HB2 LYS A 10 22.791 30.214 37.287 1.00 0.00 H new ATOM 0 HB3 LYS A 10 23.365 31.006 38.741 1.00 0.00 H new ATOM 0 HG2 LYS A 10 24.106 28.395 39.241 1.00 0.00 H new ATOM 0 HG3 LYS A 10 24.254 28.453 37.496 1.00 0.00 H new ATOM 0 HD2 LYS A 10 26.055 29.868 37.559 1.00 0.00 H new ATOM 0 HD3 LYS A 10 25.383 30.832 38.859 1.00 0.00 H new ATOM 0 HE2 LYS A 10 27.242 29.810 39.882 1.00 0.00 H new ATOM 0 HE3 LYS A 10 25.912 28.792 40.397 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 27.772 27.473 39.612 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 26.432 27.248 38.595 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 27.721 28.234 38.096 1.00 0.00 H new ATOM 172 N GLY A 11 19.906 30.967 39.060 1.00 0.00 N ATOM 173 CA GLY A 11 19.048 32.060 39.519 1.00 0.00 C ATOM 174 C GLY A 11 18.890 32.031 41.035 1.00 0.00 C ATOM 175 O GLY A 11 18.804 33.076 41.680 1.00 0.00 O ATOM 0 H GLY A 11 19.549 30.466 38.246 1.00 0.00 H new ATOM 0 HA2 GLY A 11 19.475 33.015 39.212 1.00 0.00 H new ATOM 0 HA3 GLY A 11 18.069 31.982 39.046 1.00 0.00 H new ATOM 179 N SER A 12 18.862 30.828 41.596 1.00 0.00 N ATOM 180 CA SER A 12 18.725 30.656 43.037 1.00 0.00 C ATOM 181 C SER A 12 19.848 31.399 43.758 1.00 0.00 C ATOM 182 O SER A 12 21.024 31.207 43.449 1.00 0.00 O ATOM 183 CB SER A 12 18.766 29.167 43.380 1.00 0.00 C ATOM 184 OG SER A 12 20.081 28.761 43.732 1.00 0.00 O ATOM 0 H SER A 12 18.933 29.955 41.073 1.00 0.00 H new ATOM 0 HA SER A 12 17.770 31.068 43.363 1.00 0.00 H new ATOM 0 HB2 SER A 12 18.085 28.962 44.206 1.00 0.00 H new ATOM 0 HB3 SER A 12 18.418 28.584 42.527 1.00 0.00 H new ATOM 0 HG SER A 12 20.730 29.389 43.352 1.00 0.00 H new ATOM 190 N ASN A 13 19.486 32.249 44.714 1.00 0.00 N ATOM 191 CA ASN A 13 20.475 33.019 45.467 1.00 0.00 C ATOM 192 C ASN A 13 20.568 32.520 46.905 1.00 0.00 C ATOM 193 O ASN A 13 21.643 32.140 47.370 1.00 0.00 O ATOM 194 CB ASN A 13 20.116 34.506 45.452 1.00 0.00 C ATOM 195 CG ASN A 13 18.614 34.703 45.625 1.00 0.00 C ATOM 196 OD1 ASN A 13 17.904 33.795 46.056 1.00 0.00 O ATOM 197 ND2 ASN A 13 18.130 35.893 45.288 1.00 0.00 N ATOM 0 H ASN A 13 18.519 32.423 44.986 1.00 0.00 H new ATOM 0 HA ASN A 13 21.446 32.884 44.990 1.00 0.00 H new ATOM 0 HB2 ASN A 13 20.649 35.021 46.251 1.00 0.00 H new ATOM 0 HB3 ASN A 13 20.440 34.953 44.512 1.00 0.00 H new ATOM 0 HD21 ASN A 13 17.132 36.083 45.382 1.00 0.00 H new ATOM 0 HD22 ASN A 13 18.756 36.617 44.935 1.00 0.00 H new ATOM 204 N GLU A 14 19.440 32.522 47.606 1.00 0.00 N ATOM 205 CA GLU A 14 19.399 32.069 48.993 1.00 0.00 C ATOM 206 C GLU A 14 18.264 31.075 49.186 1.00 0.00 C ATOM 207 O GLU A 14 18.486 29.931 49.583 1.00 0.00 O ATOM 208 CB GLU A 14 19.210 33.261 49.925 1.00 0.00 C ATOM 209 CG GLU A 14 20.343 34.271 49.768 1.00 0.00 C ATOM 210 CD GLU A 14 21.589 33.784 50.496 1.00 0.00 C ATOM 211 OE1 GLU A 14 21.594 32.623 50.956 1.00 0.00 O ATOM 212 OE2 GLU A 14 22.559 34.564 50.604 1.00 0.00 O ATOM 0 H GLU A 14 18.541 32.832 47.237 1.00 0.00 H new ATOM 0 HA GLU A 14 20.342 31.578 49.231 1.00 0.00 H new ATOM 0 HB2 GLU A 14 18.257 33.744 49.712 1.00 0.00 H new ATOM 0 HB3 GLU A 14 19.168 32.915 50.958 1.00 0.00 H new ATOM 0 HG2 GLU A 14 20.565 34.418 48.711 1.00 0.00 H new ATOM 0 HG3 GLU A 14 20.035 35.238 50.166 1.00 0.00 H new ATOM 219 N LYS A 15 17.047 31.519 48.898 1.00 0.00 N ATOM 220 CA LYS A 15 15.866 30.672 49.033 1.00 0.00 C ATOM 221 C LYS A 15 15.332 30.290 47.658 1.00 0.00 C ATOM 222 O LYS A 15 14.679 29.259 47.500 1.00 0.00 O ATOM 223 CB LYS A 15 14.784 31.401 49.827 1.00 0.00 C ATOM 224 CG LYS A 15 14.687 32.869 49.420 1.00 0.00 C ATOM 225 CD LYS A 15 15.478 33.760 50.373 1.00 0.00 C ATOM 226 CE LYS A 15 14.603 34.259 51.519 1.00 0.00 C ATOM 227 NZ LYS A 15 15.370 34.326 52.795 1.00 0.00 N ATOM 0 H LYS A 15 16.850 32.464 48.568 1.00 0.00 H new ATOM 0 HA LYS A 15 16.147 29.764 49.567 1.00 0.00 H new ATOM 0 HB2 LYS A 15 13.822 30.913 49.667 1.00 0.00 H new ATOM 0 HB3 LYS A 15 15.003 31.331 50.892 1.00 0.00 H new ATOM 0 HG2 LYS A 15 15.064 32.993 48.405 1.00 0.00 H new ATOM 0 HG3 LYS A 15 13.642 33.178 49.412 1.00 0.00 H new ATOM 0 HD2 LYS A 15 16.325 33.205 50.775 1.00 0.00 H new ATOM 0 HD3 LYS A 15 15.885 34.611 49.826 1.00 0.00 H new ATOM 0 HE2 LYS A 15 14.210 35.246 51.276 1.00 0.00 H new ATOM 0 HE3 LYS A 15 13.747 33.596 51.641 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 14.749 34.669 53.556 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 15.724 33.379 53.037 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 16.173 34.978 52.684 1.00 0.00 H new ATOM 241 N HIS A 16 15.615 31.127 46.663 1.00 0.00 N ATOM 242 CA HIS A 16 15.162 30.874 45.300 1.00 0.00 C ATOM 243 C HIS A 16 15.684 29.530 44.809 1.00 0.00 C ATOM 244 O HIS A 16 16.413 28.839 45.519 1.00 0.00 O ATOM 245 CB HIS A 16 15.643 31.987 44.375 1.00 0.00 C ATOM 246 CG HIS A 16 14.739 33.179 44.377 1.00 0.00 C ATOM 247 ND1 HIS A 16 14.983 34.306 45.119 1.00 0.00 N ATOM 248 CD2 HIS A 16 13.579 33.437 43.721 1.00 0.00 C ATOM 249 CE1 HIS A 16 14.041 35.202 44.938 1.00 0.00 C ATOM 250 NE2 HIS A 16 13.161 34.704 44.085 1.00 0.00 N ATOM 0 H HIS A 16 16.155 31.985 46.776 1.00 0.00 H new ATOM 0 HA HIS A 16 14.072 30.850 45.294 1.00 0.00 H new ATOM 0 HB2 HIS A 16 16.644 32.296 44.677 1.00 0.00 H new ATOM 0 HB3 HIS A 16 15.722 31.599 43.359 1.00 0.00 H new ATOM 0 HD1 HIS A 16 15.790 34.431 45.731 1.00 0.00 H new ATOM 0 HD2 HIS A 16 13.073 32.772 43.037 1.00 0.00 H new ATOM 0 HE1 HIS A 16 13.993 36.175 45.404 1.00 0.00 H new ATOM 258 N LEU A 17 15.281 29.161 43.599 1.00 0.00 N ATOM 259 CA LEU A 17 15.684 27.889 42.996 1.00 0.00 C ATOM 260 C LEU A 17 15.217 27.811 41.546 1.00 0.00 C ATOM 261 O LEU A 17 14.916 26.728 41.046 1.00 0.00 O ATOM 262 CB LEU A 17 15.153 26.684 43.801 1.00 0.00 C ATOM 263 CG LEU A 17 13.633 26.700 44.038 1.00 0.00 C ATOM 264 CD1 LEU A 17 13.215 27.933 44.820 1.00 0.00 C ATOM 265 CD2 LEU A 17 12.851 26.604 42.730 1.00 0.00 C ATOM 0 H LEU A 17 14.671 29.727 43.010 1.00 0.00 H new ATOM 0 HA LEU A 17 16.773 27.846 43.016 1.00 0.00 H new ATOM 0 HB2 LEU A 17 15.417 25.766 43.275 1.00 0.00 H new ATOM 0 HB3 LEU A 17 15.659 26.656 44.766 1.00 0.00 H new ATOM 0 HG LEU A 17 13.393 25.817 44.631 1.00 0.00 H new ATOM 0 HD11 LEU A 17 12.136 27.918 44.973 1.00 0.00 H new ATOM 0 HD12 LEU A 17 13.719 27.939 45.787 1.00 0.00 H new ATOM 0 HD13 LEU A 17 13.490 28.828 44.262 1.00 0.00 H new ATOM 0 HD21 LEU A 17 11.782 26.619 42.943 1.00 0.00 H new ATOM 0 HD22 LEU A 17 13.105 27.450 42.091 1.00 0.00 H new ATOM 0 HD23 LEU A 17 13.107 25.675 42.221 1.00 0.00 H new ATOM 277 N ALA A 18 15.164 28.981 40.891 1.00 0.00 N ATOM 278 CA ALA A 18 14.737 29.130 39.484 1.00 0.00 C ATOM 279 C ALA A 18 14.797 27.820 38.700 1.00 0.00 C ATOM 280 O ALA A 18 15.858 27.215 38.568 1.00 0.00 O ATOM 281 CB ALA A 18 15.620 30.168 38.798 1.00 0.00 C ATOM 0 H ALA A 18 15.420 29.867 41.328 1.00 0.00 H new ATOM 0 HA ALA A 18 13.695 29.449 39.496 1.00 0.00 H new ATOM 0 HB1 ALA A 18 15.309 30.281 37.760 1.00 0.00 H new ATOM 0 HB2 ALA A 18 15.524 31.124 39.312 1.00 0.00 H new ATOM 0 HB3 ALA A 18 16.659 29.841 38.832 1.00 0.00 H new ATOM 287 N VAL A 19 13.650 27.386 38.184 1.00 0.00 N ATOM 288 CA VAL A 19 13.577 26.146 37.416 1.00 0.00 C ATOM 289 C VAL A 19 13.884 26.405 35.946 1.00 0.00 C ATOM 290 O VAL A 19 13.428 27.393 35.371 1.00 0.00 O ATOM 291 CB VAL A 19 12.189 25.521 37.551 1.00 0.00 C ATOM 292 CG1 VAL A 19 11.850 25.271 39.017 1.00 0.00 C ATOM 293 CG2 VAL A 19 11.133 26.410 36.902 1.00 0.00 C ATOM 0 H VAL A 19 12.760 27.874 38.283 1.00 0.00 H new ATOM 0 HA VAL A 19 14.321 25.455 37.813 1.00 0.00 H new ATOM 0 HB VAL A 19 12.196 24.562 37.033 1.00 0.00 H new ATOM 0 HG11 VAL A 19 10.858 24.826 39.090 1.00 0.00 H new ATOM 0 HG12 VAL A 19 12.585 24.592 39.450 1.00 0.00 H new ATOM 0 HG13 VAL A 19 11.865 26.216 39.560 1.00 0.00 H new ATOM 0 HG21 VAL A 19 10.152 25.947 37.009 1.00 0.00 H new ATOM 0 HG22 VAL A 19 11.129 27.385 37.389 1.00 0.00 H new ATOM 0 HG23 VAL A 19 11.362 26.534 35.844 1.00 0.00 H new ATOM 303 N LEU A 20 14.657 25.509 35.342 1.00 0.00 N ATOM 304 CA LEU A 20 15.025 25.633 33.936 1.00 0.00 C ATOM 305 C LEU A 20 14.116 24.768 33.071 1.00 0.00 C ATOM 306 O LEU A 20 14.579 24.092 32.153 1.00 0.00 O ATOM 307 CB LEU A 20 16.480 25.216 33.741 1.00 0.00 C ATOM 308 CG LEU A 20 17.157 26.060 32.665 1.00 0.00 C ATOM 309 CD1 LEU A 20 18.616 25.643 32.496 1.00 0.00 C ATOM 310 CD2 LEU A 20 16.409 25.939 31.341 1.00 0.00 C ATOM 0 H LEU A 20 15.042 24.686 35.806 1.00 0.00 H new ATOM 0 HA LEU A 20 14.907 26.674 33.634 1.00 0.00 H new ATOM 0 HB2 LEU A 20 17.020 25.320 34.682 1.00 0.00 H new ATOM 0 HB3 LEU A 20 16.525 24.163 33.463 1.00 0.00 H new ATOM 0 HG LEU A 20 17.132 27.103 32.980 1.00 0.00 H new ATOM 0 HD11 LEU A 20 19.083 26.256 31.725 1.00 0.00 H new ATOM 0 HD12 LEU A 20 19.145 25.781 33.439 1.00 0.00 H new ATOM 0 HD13 LEU A 20 18.663 24.594 32.204 1.00 0.00 H new ATOM 0 HD21 LEU A 20 16.906 26.547 30.585 1.00 0.00 H new ATOM 0 HD22 LEU A 20 16.402 24.897 31.021 1.00 0.00 H new ATOM 0 HD23 LEU A 20 15.384 26.286 31.469 1.00 0.00 H new ATOM 322 N VAL A 21 12.819 24.792 33.368 1.00 0.00 N ATOM 323 CA VAL A 21 11.845 24.006 32.613 1.00 0.00 C ATOM 324 C VAL A 21 12.015 24.249 31.115 1.00 0.00 C ATOM 325 O VAL A 21 11.554 25.260 30.583 1.00 0.00 O ATOM 326 CB VAL A 21 10.423 24.364 33.056 1.00 0.00 C ATOM 327 CG1 VAL A 21 10.221 25.868 33.048 1.00 0.00 C ATOM 328 CG2 VAL A 21 9.381 23.675 32.175 1.00 0.00 C ATOM 0 H VAL A 21 12.418 25.346 34.125 1.00 0.00 H new ATOM 0 HA VAL A 21 12.016 22.948 32.812 1.00 0.00 H new ATOM 0 HB VAL A 21 10.290 24.005 34.076 1.00 0.00 H new ATOM 0 HG11 VAL A 21 9.205 26.100 33.366 1.00 0.00 H new ATOM 0 HG12 VAL A 21 10.930 26.334 33.732 1.00 0.00 H new ATOM 0 HG13 VAL A 21 10.383 26.251 32.041 1.00 0.00 H new ATOM 0 HG21 VAL A 21 8.381 23.948 32.513 1.00 0.00 H new ATOM 0 HG22 VAL A 21 9.513 23.991 31.140 1.00 0.00 H new ATOM 0 HG23 VAL A 21 9.505 22.594 32.243 1.00 0.00 H new ATOM 338 N LYS A 22 12.679 23.314 30.443 1.00 0.00 N ATOM 339 CA LYS A 22 12.914 23.418 29.006 1.00 0.00 C ATOM 340 C LYS A 22 12.971 22.031 28.379 1.00 0.00 C ATOM 341 O LYS A 22 13.099 21.028 29.081 1.00 0.00 O ATOM 342 CB LYS A 22 14.220 24.163 28.742 1.00 0.00 C ATOM 343 CG LYS A 22 14.171 24.912 27.414 1.00 0.00 C ATOM 344 CD LYS A 22 14.991 24.197 26.344 1.00 0.00 C ATOM 345 CE LYS A 22 16.488 24.364 26.590 1.00 0.00 C ATOM 346 NZ LYS A 22 17.059 25.445 25.738 1.00 0.00 N ATOM 0 H LYS A 22 13.065 22.473 30.872 1.00 0.00 H new ATOM 0 HA LYS A 22 12.091 23.973 28.556 1.00 0.00 H new ATOM 0 HB2 LYS A 22 14.410 24.867 29.552 1.00 0.00 H new ATOM 0 HB3 LYS A 22 15.049 23.456 28.733 1.00 0.00 H new ATOM 0 HG2 LYS A 22 13.136 25.002 27.083 1.00 0.00 H new ATOM 0 HG3 LYS A 22 14.551 25.924 27.551 1.00 0.00 H new ATOM 0 HD2 LYS A 22 14.737 23.137 26.336 1.00 0.00 H new ATOM 0 HD3 LYS A 22 14.735 24.593 25.361 1.00 0.00 H new ATOM 0 HE2 LYS A 22 16.662 24.596 27.641 1.00 0.00 H new ATOM 0 HE3 LYS A 22 17.000 23.425 26.381 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 18.078 25.535 25.928 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 16.913 25.211 24.735 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 16.586 26.345 25.956 1.00 0.00 H new ATOM 360 N TYR A 23 12.872 21.979 27.054 1.00 0.00 N ATOM 361 CA TYR A 23 12.909 20.710 26.333 1.00 0.00 C ATOM 362 C TYR A 23 12.682 20.936 24.843 1.00 0.00 C ATOM 363 O TYR A 23 12.411 22.056 24.410 1.00 0.00 O ATOM 364 CB TYR A 23 11.841 19.768 26.882 1.00 0.00 C ATOM 365 CG TYR A 23 10.555 20.471 27.223 1.00 0.00 C ATOM 366 CD1 TYR A 23 9.832 21.112 26.234 1.00 0.00 C ATOM 367 CD2 TYR A 23 10.097 20.478 28.528 1.00 0.00 C ATOM 368 CE1 TYR A 23 8.650 21.758 26.550 1.00 0.00 C ATOM 369 CE2 TYR A 23 8.915 21.124 28.842 1.00 0.00 C ATOM 370 CZ TYR A 23 8.197 21.762 27.853 1.00 0.00 C ATOM 371 OH TYR A 23 7.022 22.404 28.167 1.00 0.00 O ATOM 0 H TYR A 23 12.766 22.800 26.458 1.00 0.00 H new ATOM 0 HA TYR A 23 13.892 20.260 26.473 1.00 0.00 H new ATOM 0 HB2 TYR A 23 11.639 18.989 26.147 1.00 0.00 H new ATOM 0 HB3 TYR A 23 12.225 19.273 27.774 1.00 0.00 H new ATOM 0 HD1 TYR A 23 10.190 21.108 25.215 1.00 0.00 H new ATOM 0 HD2 TYR A 23 10.662 19.979 29.302 1.00 0.00 H new ATOM 0 HE1 TYR A 23 8.083 22.258 25.778 1.00 0.00 H new ATOM 0 HE2 TYR A 23 8.555 21.129 29.860 1.00 0.00 H new ATOM 0 HH TYR A 23 6.843 23.102 27.503 1.00 0.00 H new ATOM 381 N GLU A 24 12.794 19.865 24.064 1.00 0.00 N ATOM 382 CA GLU A 24 12.601 19.943 22.619 1.00 0.00 C ATOM 383 C GLU A 24 11.248 19.358 22.233 1.00 0.00 C ATOM 384 O GLU A 24 10.697 18.520 22.946 1.00 0.00 O ATOM 385 CB GLU A 24 13.717 19.189 21.902 1.00 0.00 C ATOM 386 CG GLU A 24 13.615 19.359 20.388 1.00 0.00 C ATOM 387 CD GLU A 24 14.927 18.962 19.723 1.00 0.00 C ATOM 388 OE1 GLU A 24 15.251 17.756 19.719 1.00 0.00 O ATOM 389 OE2 GLU A 24 15.627 19.858 19.208 1.00 0.00 O ATOM 0 H GLU A 24 13.018 18.932 24.409 1.00 0.00 H new ATOM 0 HA GLU A 24 12.628 20.991 22.319 1.00 0.00 H new ATOM 0 HB2 GLU A 24 14.685 19.553 22.247 1.00 0.00 H new ATOM 0 HB3 GLU A 24 13.665 18.130 22.156 1.00 0.00 H new ATOM 0 HG2 GLU A 24 12.802 18.745 20.000 1.00 0.00 H new ATOM 0 HG3 GLU A 24 13.376 20.395 20.147 1.00 0.00 H new ATOM 396 N GLY A 25 10.716 19.805 21.099 1.00 0.00 N ATOM 397 CA GLY A 25 9.424 19.327 20.616 1.00 0.00 C ATOM 398 C GLY A 25 8.305 20.258 21.061 1.00 0.00 C ATOM 399 O GLY A 25 7.578 20.810 20.235 1.00 0.00 O ATOM 0 H GLY A 25 11.160 20.498 20.497 1.00 0.00 H new ATOM 0 HA2 GLY A 25 9.438 19.262 19.528 1.00 0.00 H new ATOM 0 HA3 GLY A 25 9.239 18.321 20.993 1.00 0.00 H new ATOM 403 N ASP A 26 8.174 20.432 22.371 1.00 0.00 N ATOM 404 CA ASP A 26 7.144 21.300 22.930 1.00 0.00 C ATOM 405 C ASP A 26 7.689 22.709 23.119 1.00 0.00 C ATOM 406 O ASP A 26 8.878 22.957 22.917 1.00 0.00 O ATOM 407 CB ASP A 26 6.663 20.744 24.267 1.00 0.00 C ATOM 408 CG ASP A 26 5.597 19.680 24.042 1.00 0.00 C ATOM 409 OD1 ASP A 26 4.677 19.922 23.231 1.00 0.00 O ATOM 410 OD2 ASP A 26 5.682 18.608 24.675 1.00 0.00 O ATOM 0 H ASP A 26 8.769 19.983 23.067 1.00 0.00 H new ATOM 0 HA ASP A 26 6.303 21.338 22.237 1.00 0.00 H new ATOM 0 HB2 ASP A 26 7.503 20.317 24.815 1.00 0.00 H new ATOM 0 HB3 ASP A 26 6.259 21.550 24.880 1.00 0.00 H new ATOM 415 N THR A 27 6.814 23.632 23.504 1.00 0.00 N ATOM 416 CA THR A 27 7.209 25.019 23.718 1.00 0.00 C ATOM 417 C THR A 27 6.912 25.444 25.150 1.00 0.00 C ATOM 418 O THR A 27 6.527 24.624 25.984 1.00 0.00 O ATOM 419 CB THR A 27 6.469 25.926 22.740 1.00 0.00 C ATOM 420 OG1 THR A 27 5.258 25.311 22.330 1.00 0.00 O ATOM 421 CG2 THR A 27 7.338 26.233 21.524 1.00 0.00 C ATOM 0 H THR A 27 5.826 23.444 23.674 1.00 0.00 H new ATOM 0 HA THR A 27 8.282 25.107 23.546 1.00 0.00 H new ATOM 0 HB THR A 27 6.241 26.865 23.245 1.00 0.00 H new ATOM 0 HG1 THR A 27 4.950 25.720 21.494 1.00 0.00 H new ATOM 0 HG21 THR A 27 6.790 26.881 20.840 1.00 0.00 H new ATOM 0 HG22 THR A 27 8.251 26.734 21.846 1.00 0.00 H new ATOM 0 HG23 THR A 27 7.594 25.303 21.016 1.00 0.00 H new ATOM 429 N MET A 28 7.097 26.729 25.429 1.00 0.00 N ATOM 430 CA MET A 28 6.854 27.269 26.763 1.00 0.00 C ATOM 431 C MET A 28 5.756 28.322 26.720 1.00 0.00 C ATOM 432 O MET A 28 5.835 29.284 25.957 1.00 0.00 O ATOM 433 CB MET A 28 8.132 27.890 27.306 1.00 0.00 C ATOM 434 CG MET A 28 9.236 26.847 27.457 1.00 0.00 C ATOM 435 SD MET A 28 10.705 27.259 26.501 1.00 0.00 S ATOM 436 CE MET A 28 10.762 25.875 25.353 1.00 0.00 C ATOM 0 H MET A 28 7.415 27.418 24.748 1.00 0.00 H new ATOM 0 HA MET A 28 6.536 26.455 27.415 1.00 0.00 H new ATOM 0 HB2 MET A 28 8.467 28.682 26.636 1.00 0.00 H new ATOM 0 HB3 MET A 28 7.932 28.353 28.272 1.00 0.00 H new ATOM 0 HG2 MET A 28 9.505 26.756 28.509 1.00 0.00 H new ATOM 0 HG3 MET A 28 8.860 25.875 27.139 1.00 0.00 H new ATOM 0 HE1 MET A 28 11.784 25.738 24.999 1.00 0.00 H new ATOM 0 HE2 MET A 28 10.429 24.969 25.859 1.00 0.00 H new ATOM 0 HE3 MET A 28 10.108 26.078 24.505 1.00 0.00 H new ATOM 446 N ALA A 29 4.734 28.137 27.546 1.00 0.00 N ATOM 447 CA ALA A 29 3.618 29.073 27.602 1.00 0.00 C ATOM 448 C ALA A 29 3.462 29.639 29.009 1.00 0.00 C ATOM 449 O ALA A 29 3.471 30.855 29.201 1.00 0.00 O ATOM 450 CB ALA A 29 2.336 28.369 27.175 1.00 0.00 C ATOM 0 H ALA A 29 4.655 27.347 28.187 1.00 0.00 H new ATOM 0 HA ALA A 29 3.819 29.900 26.921 1.00 0.00 H new ATOM 0 HB1 ALA A 29 1.504 29.071 27.218 1.00 0.00 H new ATOM 0 HB2 ALA A 29 2.446 27.999 26.156 1.00 0.00 H new ATOM 0 HB3 ALA A 29 2.140 27.532 27.845 1.00 0.00 H new ATOM 456 N GLU A 30 3.318 28.753 29.989 1.00 0.00 N ATOM 457 CA GLU A 30 3.158 29.170 31.380 1.00 0.00 C ATOM 458 C GLU A 30 3.506 28.024 32.322 1.00 0.00 C ATOM 459 O GLU A 30 3.735 26.896 31.885 1.00 0.00 O ATOM 460 CB GLU A 30 1.722 29.625 31.623 1.00 0.00 C ATOM 461 CG GLU A 30 1.676 30.898 32.464 1.00 0.00 C ATOM 462 CD GLU A 30 0.707 31.901 31.851 1.00 0.00 C ATOM 463 OE1 GLU A 30 1.131 32.677 30.970 1.00 0.00 O ATOM 464 OE2 GLU A 30 -0.476 31.907 32.253 1.00 0.00 O ATOM 0 H GLU A 30 3.309 27.743 29.847 1.00 0.00 H new ATOM 0 HA GLU A 30 3.836 30.001 31.576 1.00 0.00 H new ATOM 0 HB2 GLU A 30 1.228 29.800 30.668 1.00 0.00 H new ATOM 0 HB3 GLU A 30 1.168 28.833 32.128 1.00 0.00 H new ATOM 0 HG2 GLU A 30 1.367 30.659 33.482 1.00 0.00 H new ATOM 0 HG3 GLU A 30 2.672 31.336 32.528 1.00 0.00 H new ATOM 471 N VAL A 31 3.541 28.319 33.618 1.00 0.00 N ATOM 472 CA VAL A 31 3.858 27.311 34.629 1.00 0.00 C ATOM 473 C VAL A 31 3.687 27.904 36.019 1.00 0.00 C ATOM 474 O VAL A 31 4.074 29.042 36.282 1.00 0.00 O ATOM 475 CB VAL A 31 5.281 26.714 34.400 1.00 0.00 C ATOM 476 CG1 VAL A 31 6.160 27.642 33.563 1.00 0.00 C ATOM 477 CG2 VAL A 31 5.997 26.361 35.710 1.00 0.00 C ATOM 0 H VAL A 31 3.354 29.248 33.995 1.00 0.00 H new ATOM 0 HA VAL A 31 3.161 26.478 34.538 1.00 0.00 H new ATOM 0 HB VAL A 31 5.123 25.788 33.848 1.00 0.00 H new ATOM 0 HG11 VAL A 31 7.142 27.189 33.427 1.00 0.00 H new ATOM 0 HG12 VAL A 31 5.697 27.802 32.590 1.00 0.00 H new ATOM 0 HG13 VAL A 31 6.270 28.598 34.074 1.00 0.00 H new ATOM 0 HG21 VAL A 31 6.982 25.950 35.487 1.00 0.00 H new ATOM 0 HG22 VAL A 31 6.107 27.259 36.318 1.00 0.00 H new ATOM 0 HG23 VAL A 31 5.411 25.622 36.257 1.00 0.00 H new ATOM 487 N GLU A 32 3.076 27.118 36.893 1.00 0.00 N ATOM 488 CA GLU A 32 2.807 27.530 38.247 1.00 0.00 C ATOM 489 C GLU A 32 3.460 26.561 39.230 1.00 0.00 C ATOM 490 O GLU A 32 3.641 25.381 38.927 1.00 0.00 O ATOM 491 CB GLU A 32 1.295 27.559 38.423 1.00 0.00 C ATOM 492 CG GLU A 32 0.892 27.675 39.871 1.00 0.00 C ATOM 493 CD GLU A 32 -0.401 28.468 40.009 1.00 0.00 C ATOM 494 OE1 GLU A 32 -1.136 28.587 39.007 1.00 0.00 O ATOM 495 OE2 GLU A 32 -0.678 28.967 41.121 1.00 0.00 O ATOM 0 H GLU A 32 2.755 26.175 36.674 1.00 0.00 H new ATOM 0 HA GLU A 32 3.222 28.518 38.445 1.00 0.00 H new ATOM 0 HB2 GLU A 32 0.882 28.399 37.864 1.00 0.00 H new ATOM 0 HB3 GLU A 32 0.864 26.652 37.999 1.00 0.00 H new ATOM 0 HG2 GLU A 32 0.762 26.681 40.298 1.00 0.00 H new ATOM 0 HG3 GLU A 32 1.686 28.163 40.436 1.00 0.00 H new ATOM 502 N LEU A 33 3.806 27.066 40.408 1.00 0.00 N ATOM 503 CA LEU A 33 4.434 26.247 41.439 1.00 0.00 C ATOM 504 C LEU A 33 3.410 25.854 42.494 1.00 0.00 C ATOM 505 O LEU A 33 2.352 26.473 42.608 1.00 0.00 O ATOM 506 CB LEU A 33 5.581 27.014 42.088 1.00 0.00 C ATOM 507 CG LEU A 33 6.932 26.435 41.683 1.00 0.00 C ATOM 508 CD1 LEU A 33 8.069 27.257 42.282 1.00 0.00 C ATOM 509 CD2 LEU A 33 7.041 24.975 42.115 1.00 0.00 C ATOM 0 H LEU A 33 3.662 28.040 40.674 1.00 0.00 H new ATOM 0 HA LEU A 33 4.828 25.342 40.976 1.00 0.00 H new ATOM 0 HB2 LEU A 33 5.530 28.063 41.797 1.00 0.00 H new ATOM 0 HB3 LEU A 33 5.478 26.978 43.173 1.00 0.00 H new ATOM 0 HG LEU A 33 7.012 26.479 40.597 1.00 0.00 H new ATOM 0 HD11 LEU A 33 9.025 26.828 41.982 1.00 0.00 H new ATOM 0 HD12 LEU A 33 8.003 28.284 41.924 1.00 0.00 H new ATOM 0 HD13 LEU A 33 7.992 27.246 43.369 1.00 0.00 H new ATOM 0 HD21 LEU A 33 8.012 24.579 41.817 1.00 0.00 H new ATOM 0 HD22 LEU A 33 6.938 24.907 43.198 1.00 0.00 H new ATOM 0 HD23 LEU A 33 6.251 24.395 41.639 1.00 0.00 H new ATOM 521 N ARG A 34 3.728 24.819 43.264 1.00 0.00 N ATOM 522 CA ARG A 34 2.833 24.340 44.312 1.00 0.00 C ATOM 523 C ARG A 34 3.552 24.315 45.654 1.00 0.00 C ATOM 524 O ARG A 34 4.645 24.863 45.795 1.00 0.00 O ATOM 525 CB ARG A 34 2.332 22.941 43.967 1.00 0.00 C ATOM 526 CG ARG A 34 0.879 22.751 44.394 1.00 0.00 C ATOM 527 CD ARG A 34 0.714 21.497 45.247 1.00 0.00 C ATOM 528 NE ARG A 34 -0.508 20.791 44.880 1.00 0.00 N ATOM 529 CZ ARG A 34 -1.705 21.357 45.001 1.00 0.00 C ATOM 530 NH1 ARG A 34 -2.022 22.017 46.108 1.00 0.00 N ATOM 531 NH2 ARG A 34 -2.586 21.263 44.015 1.00 0.00 N ATOM 0 H ARG A 34 4.599 24.295 43.182 1.00 0.00 H new ATOM 0 HA ARG A 34 1.983 25.019 44.383 1.00 0.00 H new ATOM 0 HB2 ARG A 34 2.423 22.774 42.894 1.00 0.00 H new ATOM 0 HB3 ARG A 34 2.958 22.197 44.459 1.00 0.00 H new ATOM 0 HG2 ARG A 34 0.546 23.623 44.957 1.00 0.00 H new ATOM 0 HG3 ARG A 34 0.244 22.679 43.511 1.00 0.00 H new ATOM 0 HD2 ARG A 34 1.575 20.842 45.112 1.00 0.00 H new ATOM 0 HD3 ARG A 34 0.682 21.769 46.302 1.00 0.00 H new ATOM 0 HE ARG A 34 -0.443 19.838 44.521 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -1.347 22.091 46.869 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -2.941 22.450 46.198 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -2.346 20.756 43.163 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -3.504 21.697 44.108 1.00 0.00 H new ATOM 545 N GLU A 35 2.930 23.673 46.638 1.00 0.00 N ATOM 546 CA GLU A 35 3.502 23.568 47.974 1.00 0.00 C ATOM 547 C GLU A 35 2.776 22.488 48.763 1.00 0.00 C ATOM 548 O GLU A 35 1.724 22.737 49.352 1.00 0.00 O ATOM 549 CB GLU A 35 3.392 24.906 48.701 1.00 0.00 C ATOM 550 CG GLU A 35 4.499 25.865 48.269 1.00 0.00 C ATOM 551 CD GLU A 35 4.915 26.754 49.434 1.00 0.00 C ATOM 552 OE1 GLU A 35 4.418 26.535 50.559 1.00 0.00 O ATOM 553 OE2 GLU A 35 5.739 27.667 49.220 1.00 0.00 O ATOM 0 H GLU A 35 2.024 23.215 46.533 1.00 0.00 H new ATOM 0 HA GLU A 35 4.555 23.301 47.887 1.00 0.00 H new ATOM 0 HB2 GLU A 35 2.420 25.354 48.497 1.00 0.00 H new ATOM 0 HB3 GLU A 35 3.448 24.743 49.777 1.00 0.00 H new ATOM 0 HG2 GLU A 35 5.359 25.300 47.909 1.00 0.00 H new ATOM 0 HG3 GLU A 35 4.152 26.481 47.439 1.00 0.00 H new ATOM 560 N HIS A 36 3.337 21.283 48.764 1.00 0.00 N ATOM 561 CA HIS A 36 2.738 20.155 49.475 1.00 0.00 C ATOM 562 C HIS A 36 2.342 20.558 50.891 1.00 0.00 C ATOM 563 O HIS A 36 3.193 20.681 51.772 1.00 0.00 O ATOM 564 CB HIS A 36 3.719 18.988 49.526 1.00 0.00 C ATOM 565 CG HIS A 36 3.145 17.721 48.972 1.00 0.00 C ATOM 566 ND1 HIS A 36 3.574 16.474 49.347 1.00 0.00 N ATOM 567 CD2 HIS A 36 2.164 17.494 48.061 1.00 0.00 C ATOM 568 CE1 HIS A 36 2.906 15.537 48.716 1.00 0.00 C ATOM 569 NE2 HIS A 36 2.031 16.125 47.917 1.00 0.00 N ATOM 0 H HIS A 36 4.207 21.061 48.280 1.00 0.00 H new ATOM 0 HA HIS A 36 1.841 19.849 48.937 1.00 0.00 H new ATOM 0 HB2 HIS A 36 4.617 19.250 48.966 1.00 0.00 H new ATOM 0 HB3 HIS A 36 4.025 18.822 50.559 1.00 0.00 H new ATOM 0 HD2 HIS A 36 1.590 18.248 47.542 1.00 0.00 H new ATOM 0 HE1 HIS A 36 3.046 14.472 48.829 1.00 0.00 H new ATOM 0 HE2 HIS A 36 1.371 15.650 47.301 1.00 0.00 H new ATOM 577 N GLY A 37 1.047 20.762 51.103 1.00 0.00 N ATOM 578 CA GLY A 37 0.539 21.151 52.413 1.00 0.00 C ATOM 579 C GLY A 37 -0.492 22.265 52.284 1.00 0.00 C ATOM 580 O GLY A 37 -1.502 22.275 52.988 1.00 0.00 O ATOM 0 H GLY A 37 0.330 20.664 50.384 1.00 0.00 H new ATOM 0 HA2 GLY A 37 0.089 20.288 52.905 1.00 0.00 H new ATOM 0 HA3 GLY A 37 1.363 21.483 53.044 1.00 0.00 H new ATOM 584 N SER A 38 -0.232 23.203 51.379 1.00 0.00 N ATOM 585 CA SER A 38 -1.138 24.325 51.156 1.00 0.00 C ATOM 586 C SER A 38 -2.430 23.844 50.508 1.00 0.00 C ATOM 587 O SER A 38 -2.573 22.665 50.184 1.00 0.00 O ATOM 588 CB SER A 38 -0.466 25.368 50.267 1.00 0.00 C ATOM 589 OG SER A 38 0.941 25.347 50.451 1.00 0.00 O ATOM 0 H SER A 38 0.599 23.209 50.788 1.00 0.00 H new ATOM 0 HA SER A 38 -1.378 24.777 52.119 1.00 0.00 H new ATOM 0 HB2 SER A 38 -0.705 25.171 49.222 1.00 0.00 H new ATOM 0 HB3 SER A 38 -0.854 26.359 50.502 1.00 0.00 H new ATOM 0 HG SER A 38 1.305 26.243 50.293 1.00 0.00 H new ATOM 595 N ASP A 39 -3.370 24.765 50.322 1.00 0.00 N ATOM 596 CA ASP A 39 -4.655 24.437 49.711 1.00 0.00 C ATOM 597 C ASP A 39 -4.848 25.228 48.424 1.00 0.00 C ATOM 598 O ASP A 39 -5.966 25.610 48.080 1.00 0.00 O ATOM 599 CB ASP A 39 -5.789 24.748 50.685 1.00 0.00 C ATOM 600 CG ASP A 39 -5.503 24.125 52.045 1.00 0.00 C ATOM 601 OD1 ASP A 39 -5.713 22.903 52.196 1.00 0.00 O ATOM 602 OD2 ASP A 39 -5.070 24.860 52.957 1.00 0.00 O ATOM 0 H ASP A 39 -3.267 25.745 50.585 1.00 0.00 H new ATOM 0 HA ASP A 39 -4.667 23.373 49.474 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -5.903 25.827 50.788 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -6.731 24.364 50.292 1.00 0.00 H new ATOM 607 N GLU A 40 -3.751 25.471 47.714 1.00 0.00 N ATOM 608 CA GLU A 40 -3.799 26.217 46.462 1.00 0.00 C ATOM 609 C GLU A 40 -2.419 26.271 45.819 1.00 0.00 C ATOM 610 O GLU A 40 -1.408 26.009 46.472 1.00 0.00 O ATOM 611 CB GLU A 40 -4.307 27.632 46.721 1.00 0.00 C ATOM 612 CG GLU A 40 -3.354 28.404 47.629 1.00 0.00 C ATOM 613 CD GLU A 40 -4.088 29.551 48.311 1.00 0.00 C ATOM 614 OE1 GLU A 40 -4.278 30.603 47.665 1.00 0.00 O ATOM 615 OE2 GLU A 40 -4.471 29.395 49.489 1.00 0.00 O ATOM 0 H GLU A 40 -2.817 25.162 47.985 1.00 0.00 H new ATOM 0 HA GLU A 40 -4.481 25.709 45.780 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -4.419 28.160 45.774 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -5.295 27.588 47.180 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -2.934 27.735 48.380 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -2.520 28.793 47.045 1.00 0.00 H new ATOM 622 N TRP A 41 -2.383 26.615 44.536 1.00 0.00 N ATOM 623 CA TRP A 41 -1.127 26.707 43.799 1.00 0.00 C ATOM 624 C TRP A 41 -0.536 28.105 43.933 1.00 0.00 C ATOM 625 O TRP A 41 -1.147 28.994 44.527 1.00 0.00 O ATOM 626 CB TRP A 41 -1.362 26.382 42.327 1.00 0.00 C ATOM 627 CG TRP A 41 -1.605 24.924 42.085 1.00 0.00 C ATOM 628 CD1 TRP A 41 -2.761 24.233 42.329 1.00 0.00 C ATOM 629 CD2 TRP A 41 -0.666 23.968 41.548 1.00 0.00 C ATOM 630 NE1 TRP A 41 -2.575 22.926 41.973 1.00 0.00 N ATOM 631 CE2 TRP A 41 -1.316 22.729 41.495 1.00 0.00 C ATOM 632 CE3 TRP A 41 0.657 24.043 41.109 1.00 0.00 C ATOM 633 CZ2 TRP A 41 -0.687 21.588 41.023 1.00 0.00 C ATOM 634 CZ3 TRP A 41 1.293 22.904 40.635 1.00 0.00 C ATOM 635 CH2 TRP A 41 0.627 21.686 40.593 1.00 0.00 C ATOM 0 H TRP A 41 -3.211 26.835 43.983 1.00 0.00 H new ATOM 0 HA TRP A 41 -0.423 25.987 44.216 1.00 0.00 H new ATOM 0 HB2 TRP A 41 -2.217 26.953 41.966 1.00 0.00 H new ATOM 0 HB3 TRP A 41 -0.497 26.703 41.746 1.00 0.00 H new ATOM 0 HD1 TRP A 41 -3.670 24.651 42.736 1.00 0.00 H new ATOM 0 HE1 TRP A 41 -3.284 22.197 42.055 1.00 0.00 H new ATOM 0 HE3 TRP A 41 1.184 24.985 41.138 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 -1.209 20.643 40.991 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 2.316 22.966 40.295 1.00 0.00 H new ATOM 0 HH2 TRP A 41 1.137 20.809 40.223 1.00 0.00 H new ATOM 646 N VAL A 42 0.655 28.295 43.375 1.00 0.00 N ATOM 647 CA VAL A 42 1.332 29.588 43.428 1.00 0.00 C ATOM 648 C VAL A 42 1.950 29.913 42.075 1.00 0.00 C ATOM 649 O VAL A 42 3.043 29.447 41.753 1.00 0.00 O ATOM 650 CB VAL A 42 2.415 29.571 44.502 1.00 0.00 C ATOM 651 CG1 VAL A 42 1.798 29.742 45.886 1.00 0.00 C ATOM 652 CG2 VAL A 42 3.223 28.278 44.428 1.00 0.00 C ATOM 0 H VAL A 42 1.173 27.569 42.880 1.00 0.00 H new ATOM 0 HA VAL A 42 0.599 30.356 43.676 1.00 0.00 H new ATOM 0 HB VAL A 42 3.091 30.407 44.323 1.00 0.00 H new ATOM 0 HG11 VAL A 42 2.585 29.727 46.640 1.00 0.00 H new ATOM 0 HG12 VAL A 42 1.268 30.693 45.933 1.00 0.00 H new ATOM 0 HG13 VAL A 42 1.099 28.928 46.076 1.00 0.00 H new ATOM 0 HG21 VAL A 42 3.991 28.284 45.202 1.00 0.00 H new ATOM 0 HG22 VAL A 42 2.561 27.426 44.581 1.00 0.00 H new ATOM 0 HG23 VAL A 42 3.695 28.200 43.449 1.00 0.00 H new ATOM 662 N ALA A 43 1.243 30.713 41.284 1.00 0.00 N ATOM 663 CA ALA A 43 1.718 31.101 39.961 1.00 0.00 C ATOM 664 C ALA A 43 3.144 31.633 40.038 1.00 0.00 C ATOM 665 O ALA A 43 3.441 32.530 40.828 1.00 0.00 O ATOM 666 CB ALA A 43 0.798 32.164 39.369 1.00 0.00 C ATOM 0 H ALA A 43 0.337 31.106 41.537 1.00 0.00 H new ATOM 0 HA ALA A 43 1.710 30.221 39.318 1.00 0.00 H new ATOM 0 HB1 ALA A 43 1.159 32.449 38.381 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -0.213 31.764 39.285 1.00 0.00 H new ATOM 0 HB3 ALA A 43 0.789 33.040 40.018 1.00 0.00 H new ATOM 672 N MET A 44 4.021 31.075 39.212 1.00 0.00 N ATOM 673 CA MET A 44 5.418 31.489 39.179 1.00 0.00 C ATOM 674 C MET A 44 5.520 32.957 38.788 1.00 0.00 C ATOM 675 O MET A 44 4.514 33.664 38.728 1.00 0.00 O ATOM 676 CB MET A 44 6.190 30.628 38.183 1.00 0.00 C ATOM 677 CG MET A 44 7.007 29.554 38.896 1.00 0.00 C ATOM 678 SD MET A 44 8.733 30.022 39.094 1.00 0.00 S ATOM 679 CE MET A 44 9.533 28.413 38.994 1.00 0.00 C ATOM 0 H MET A 44 3.788 30.332 38.554 1.00 0.00 H new ATOM 0 HA MET A 44 5.850 31.359 40.171 1.00 0.00 H new ATOM 0 HB2 MET A 44 5.493 30.157 37.489 1.00 0.00 H new ATOM 0 HB3 MET A 44 6.853 31.259 37.591 1.00 0.00 H new ATOM 0 HG2 MET A 44 6.571 29.361 39.876 1.00 0.00 H new ATOM 0 HG3 MET A 44 6.948 28.623 38.332 1.00 0.00 H new ATOM 0 HE1 MET A 44 10.615 28.543 39.011 1.00 0.00 H new ATOM 0 HE2 MET A 44 9.228 27.802 39.843 1.00 0.00 H new ATOM 0 HE3 MET A 44 9.241 27.919 38.067 1.00 0.00 H new ATOM 689 N THR A 45 6.739 33.412 38.522 1.00 0.00 N ATOM 690 CA THR A 45 6.969 34.799 38.136 1.00 0.00 C ATOM 691 C THR A 45 8.193 34.897 37.236 1.00 0.00 C ATOM 692 O THR A 45 9.306 34.574 37.652 1.00 0.00 O ATOM 693 CB THR A 45 7.168 35.662 39.379 1.00 0.00 C ATOM 694 OG1 THR A 45 6.017 35.594 40.207 1.00 0.00 O ATOM 695 CG2 THR A 45 7.449 37.111 38.992 1.00 0.00 C ATOM 0 H THR A 45 7.583 32.841 38.567 1.00 0.00 H new ATOM 0 HA THR A 45 6.098 35.160 37.589 1.00 0.00 H new ATOM 0 HB THR A 45 8.028 35.280 39.929 1.00 0.00 H new ATOM 0 HG1 THR A 45 6.153 36.149 41.003 1.00 0.00 H new ATOM 0 HG21 THR A 45 7.588 37.708 39.893 1.00 0.00 H new ATOM 0 HG22 THR A 45 8.353 37.157 38.384 1.00 0.00 H new ATOM 0 HG23 THR A 45 6.608 37.505 38.422 1.00 0.00 H new ATOM 703 N LYS A 46 7.983 35.344 36.003 1.00 0.00 N ATOM 704 CA LYS A 46 9.075 35.484 35.045 1.00 0.00 C ATOM 705 C LYS A 46 10.007 36.614 35.464 1.00 0.00 C ATOM 706 O LYS A 46 10.149 37.611 34.757 1.00 0.00 O ATOM 707 CB LYS A 46 8.517 35.756 33.650 1.00 0.00 C ATOM 708 CG LYS A 46 7.690 37.039 33.618 1.00 0.00 C ATOM 709 CD LYS A 46 6.755 37.061 32.413 1.00 0.00 C ATOM 710 CE LYS A 46 7.469 37.592 31.173 1.00 0.00 C ATOM 711 NZ LYS A 46 6.976 36.923 29.936 1.00 0.00 N ATOM 0 H LYS A 46 7.068 35.616 35.643 1.00 0.00 H new ATOM 0 HA LYS A 46 9.642 34.553 35.025 1.00 0.00 H new ATOM 0 HB2 LYS A 46 9.338 35.833 32.937 1.00 0.00 H new ATOM 0 HB3 LYS A 46 7.899 34.916 33.334 1.00 0.00 H new ATOM 0 HG2 LYS A 46 7.107 37.123 34.535 1.00 0.00 H new ATOM 0 HG3 LYS A 46 8.354 37.902 33.582 1.00 0.00 H new ATOM 0 HD2 LYS A 46 6.383 36.055 32.219 1.00 0.00 H new ATOM 0 HD3 LYS A 46 5.888 37.685 32.633 1.00 0.00 H new ATOM 0 HE2 LYS A 46 7.313 38.668 31.094 1.00 0.00 H new ATOM 0 HE3 LYS A 46 8.543 37.432 31.272 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 7.480 37.305 29.110 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 7.147 35.899 30.003 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 5.956 37.097 29.830 1.00 0.00 H new ATOM 725 N GLY A 47 10.647 36.451 36.617 1.00 0.00 N ATOM 726 CA GLY A 47 11.571 37.456 37.129 1.00 0.00 C ATOM 727 C GLY A 47 12.966 37.229 36.566 1.00 0.00 C ATOM 728 O GLY A 47 13.752 38.166 36.426 1.00 0.00 O ATOM 0 H GLY A 47 10.542 35.631 37.215 1.00 0.00 H new ATOM 0 HA2 GLY A 47 11.221 38.452 36.859 1.00 0.00 H new ATOM 0 HA3 GLY A 47 11.600 37.412 38.218 1.00 0.00 H new ATOM 732 N GLU A 48 13.267 35.976 36.241 1.00 0.00 N ATOM 733 CA GLU A 48 14.567 35.618 35.688 1.00 0.00 C ATOM 734 C GLU A 48 14.523 35.663 34.168 1.00 0.00 C ATOM 735 O GLU A 48 13.682 35.020 33.541 1.00 0.00 O ATOM 736 CB GLU A 48 14.965 34.221 36.154 1.00 0.00 C ATOM 737 CG GLU A 48 16.407 33.902 35.767 1.00 0.00 C ATOM 738 CD GLU A 48 17.363 34.854 36.473 1.00 0.00 C ATOM 739 OE1 GLU A 48 17.575 34.689 37.693 1.00 0.00 O ATOM 740 OE2 GLU A 48 17.898 35.765 35.806 1.00 0.00 O ATOM 0 H GLU A 48 12.626 35.190 36.352 1.00 0.00 H new ATOM 0 HA GLU A 48 15.307 36.336 36.040 1.00 0.00 H new ATOM 0 HB2 GLU A 48 14.851 34.149 37.236 1.00 0.00 H new ATOM 0 HB3 GLU A 48 14.295 33.483 35.713 1.00 0.00 H new ATOM 0 HG2 GLU A 48 16.644 32.872 36.035 1.00 0.00 H new ATOM 0 HG3 GLU A 48 16.529 33.987 34.687 1.00 0.00 H new ATOM 747 N GLY A 49 15.434 36.428 33.580 1.00 0.00 N ATOM 748 CA GLY A 49 15.501 36.560 32.130 1.00 0.00 C ATOM 749 C GLY A 49 16.029 35.281 31.497 1.00 0.00 C ATOM 750 O GLY A 49 17.122 35.263 30.931 1.00 0.00 O ATOM 0 H GLY A 49 16.137 36.967 34.085 1.00 0.00 H new ATOM 0 HA2 GLY A 49 14.511 36.785 31.734 1.00 0.00 H new ATOM 0 HA3 GLY A 49 16.148 37.396 31.866 1.00 0.00 H new ATOM 754 N GLY A 50 15.248 34.209 31.595 1.00 0.00 N ATOM 755 CA GLY A 50 15.643 32.925 31.028 1.00 0.00 C ATOM 756 C GLY A 50 14.864 31.780 31.663 1.00 0.00 C ATOM 757 O GLY A 50 14.661 30.738 31.039 1.00 0.00 O ATOM 0 H GLY A 50 14.340 34.204 32.061 1.00 0.00 H new ATOM 0 HA2 GLY A 50 15.472 32.932 29.951 1.00 0.00 H new ATOM 0 HA3 GLY A 50 16.711 32.770 31.180 1.00 0.00 H new ATOM 761 N VAL A 51 14.433 31.970 32.907 1.00 0.00 N ATOM 762 CA VAL A 51 13.682 30.938 33.616 1.00 0.00 C ATOM 763 C VAL A 51 12.684 31.556 34.585 1.00 0.00 C ATOM 764 O VAL A 51 12.537 32.776 34.653 1.00 0.00 O ATOM 765 CB VAL A 51 14.641 30.028 34.375 1.00 0.00 C ATOM 766 CG1 VAL A 51 15.318 29.052 33.419 1.00 0.00 C ATOM 767 CG2 VAL A 51 15.686 30.850 35.125 1.00 0.00 C ATOM 0 H VAL A 51 14.590 32.824 33.443 1.00 0.00 H new ATOM 0 HA VAL A 51 13.129 30.353 32.881 1.00 0.00 H new ATOM 0 HB VAL A 51 14.066 29.458 35.104 1.00 0.00 H new ATOM 0 HG11 VAL A 51 15.999 28.410 33.977 1.00 0.00 H new ATOM 0 HG12 VAL A 51 14.562 28.439 32.929 1.00 0.00 H new ATOM 0 HG13 VAL A 51 15.878 29.608 32.667 1.00 0.00 H new ATOM 0 HG21 VAL A 51 16.360 30.181 35.660 1.00 0.00 H new ATOM 0 HG22 VAL A 51 16.257 31.448 34.415 1.00 0.00 H new ATOM 0 HG23 VAL A 51 15.188 31.509 35.837 1.00 0.00 H new ATOM 777 N TRP A 52 11.994 30.698 35.330 1.00 0.00 N ATOM 778 CA TRP A 52 10.998 31.142 36.302 1.00 0.00 C ATOM 779 C TRP A 52 11.555 31.013 37.711 1.00 0.00 C ATOM 780 O TRP A 52 12.179 30.009 38.047 1.00 0.00 O ATOM 781 CB TRP A 52 9.731 30.298 36.174 1.00 0.00 C ATOM 782 CG TRP A 52 9.468 29.853 34.770 1.00 0.00 C ATOM 783 CD1 TRP A 52 9.176 28.587 34.356 1.00 0.00 C ATOM 784 CD2 TRP A 52 9.490 30.676 33.588 1.00 0.00 C ATOM 785 NE1 TRP A 52 9.004 28.595 33.001 1.00 0.00 N ATOM 786 CE2 TRP A 52 9.188 29.849 32.499 1.00 0.00 C ATOM 787 CE3 TRP A 52 9.730 32.030 33.349 1.00 0.00 C ATOM 788 CZ2 TRP A 52 9.122 30.335 31.204 1.00 0.00 C ATOM 789 CZ3 TRP A 52 9.667 32.523 32.053 1.00 0.00 C ATOM 790 CH2 TRP A 52 9.364 31.681 30.991 1.00 0.00 C ATOM 0 H TRP A 52 12.107 29.686 35.279 1.00 0.00 H new ATOM 0 HA TRP A 52 10.755 32.186 36.105 1.00 0.00 H new ATOM 0 HB2 TRP A 52 9.817 29.422 36.817 1.00 0.00 H new ATOM 0 HB3 TRP A 52 8.878 30.875 36.533 1.00 0.00 H new ATOM 0 HD1 TRP A 52 9.094 27.720 34.995 1.00 0.00 H new ATOM 0 HE1 TRP A 52 8.770 27.775 32.441 1.00 0.00 H new ATOM 0 HE3 TRP A 52 9.964 32.692 34.170 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 8.887 29.679 30.379 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 9.855 33.570 31.869 1.00 0.00 H new ATOM 0 HH2 TRP A 52 9.317 32.081 29.989 1.00 0.00 H new ATOM 801 N THR A 53 11.327 32.030 38.532 1.00 0.00 N ATOM 802 CA THR A 53 11.812 32.021 39.908 1.00 0.00 C ATOM 803 C THR A 53 10.653 32.149 40.887 1.00 0.00 C ATOM 804 O THR A 53 9.676 32.849 40.622 1.00 0.00 O ATOM 805 CB THR A 53 12.798 33.166 40.120 1.00 0.00 C ATOM 806 OG1 THR A 53 12.334 34.335 39.462 1.00 0.00 O ATOM 807 CG2 THR A 53 14.185 32.792 39.607 1.00 0.00 C ATOM 0 H THR A 53 10.811 32.870 38.271 1.00 0.00 H new ATOM 0 HA THR A 53 12.317 31.072 40.090 1.00 0.00 H new ATOM 0 HB THR A 53 12.871 33.362 41.190 1.00 0.00 H new ATOM 0 HG1 THR A 53 12.972 35.065 39.604 1.00 0.00 H new ATOM 0 HG21 THR A 53 14.870 33.624 39.769 1.00 0.00 H new ATOM 0 HG22 THR A 53 14.547 31.915 40.143 1.00 0.00 H new ATOM 0 HG23 THR A 53 14.131 32.569 38.541 1.00 0.00 H new ATOM 815 N PHE A 54 10.772 31.473 42.024 1.00 0.00 N ATOM 816 CA PHE A 54 9.741 31.511 43.055 1.00 0.00 C ATOM 817 C PHE A 54 10.384 31.555 44.433 1.00 0.00 C ATOM 818 O PHE A 54 10.587 30.520 45.068 1.00 0.00 O ATOM 819 CB PHE A 54 8.837 30.287 42.943 1.00 0.00 C ATOM 820 CG PHE A 54 7.759 30.259 43.998 1.00 0.00 C ATOM 821 CD1 PHE A 54 6.611 31.018 43.837 1.00 0.00 C ATOM 822 CD2 PHE A 54 7.917 29.476 45.129 1.00 0.00 C ATOM 823 CE1 PHE A 54 5.623 30.993 44.807 1.00 0.00 C ATOM 824 CE2 PHE A 54 6.928 29.451 46.099 1.00 0.00 C ATOM 825 CZ PHE A 54 5.781 30.210 45.937 1.00 0.00 C ATOM 0 H PHE A 54 11.576 30.890 42.256 1.00 0.00 H new ATOM 0 HA PHE A 54 9.138 32.408 42.914 1.00 0.00 H new ATOM 0 HB2 PHE A 54 8.374 30.272 41.956 1.00 0.00 H new ATOM 0 HB3 PHE A 54 9.443 29.385 43.025 1.00 0.00 H new ATOM 0 HD1 PHE A 54 6.487 31.629 42.955 1.00 0.00 H new ATOM 0 HD2 PHE A 54 8.812 28.884 45.255 1.00 0.00 H new ATOM 0 HE1 PHE A 54 4.728 31.585 44.681 1.00 0.00 H new ATOM 0 HE2 PHE A 54 7.051 28.840 46.981 1.00 0.00 H new ATOM 0 HZ PHE A 54 5.010 30.191 46.693 1.00 0.00 H new ATOM 835 N ASP A 55 10.708 32.760 44.889 1.00 0.00 N ATOM 836 CA ASP A 55 11.336 32.948 46.195 1.00 0.00 C ATOM 837 C ASP A 55 10.579 32.175 47.269 1.00 0.00 C ATOM 838 O ASP A 55 9.372 31.961 47.159 1.00 0.00 O ATOM 839 CB ASP A 55 11.358 34.432 46.548 1.00 0.00 C ATOM 840 CG ASP A 55 12.476 34.725 47.539 1.00 0.00 C ATOM 841 OD1 ASP A 55 13.584 34.177 47.365 1.00 0.00 O ATOM 842 OD2 ASP A 55 12.243 35.504 48.487 1.00 0.00 O ATOM 0 H ASP A 55 10.546 33.625 44.373 1.00 0.00 H new ATOM 0 HA ASP A 55 12.357 32.570 46.148 1.00 0.00 H new ATOM 0 HB2 ASP A 55 11.499 35.025 45.645 1.00 0.00 H new ATOM 0 HB3 ASP A 55 10.399 34.725 46.975 1.00 0.00 H new ATOM 847 N SER A 56 11.294 31.759 48.309 1.00 0.00 N ATOM 848 CA SER A 56 10.686 31.012 49.405 1.00 0.00 C ATOM 849 C SER A 56 10.901 31.741 50.726 1.00 0.00 C ATOM 850 O SER A 56 12.036 32.002 51.125 1.00 0.00 O ATOM 851 CB SER A 56 11.285 29.611 49.478 1.00 0.00 C ATOM 852 OG SER A 56 11.062 29.041 50.758 1.00 0.00 O ATOM 0 H SER A 56 12.294 31.926 48.416 1.00 0.00 H new ATOM 0 HA SER A 56 9.615 30.931 49.221 1.00 0.00 H new ATOM 0 HB2 SER A 56 10.841 28.979 48.709 1.00 0.00 H new ATOM 0 HB3 SER A 56 12.355 29.656 49.275 1.00 0.00 H new ATOM 0 HG SER A 56 11.451 28.142 50.788 1.00 0.00 H new ATOM 858 N GLU A 57 9.803 32.069 51.400 1.00 0.00 N ATOM 859 CA GLU A 57 9.869 32.771 52.678 1.00 0.00 C ATOM 860 C GLU A 57 9.323 31.895 53.798 1.00 0.00 C ATOM 861 O GLU A 57 8.476 32.327 54.580 1.00 0.00 O ATOM 862 CB GLU A 57 9.072 34.071 52.599 1.00 0.00 C ATOM 863 CG GLU A 57 9.748 35.184 53.394 1.00 0.00 C ATOM 864 CD GLU A 57 9.378 35.079 54.867 1.00 0.00 C ATOM 865 OE1 GLU A 57 8.221 35.397 55.215 1.00 0.00 O ATOM 866 OE2 GLU A 57 10.244 34.676 55.672 1.00 0.00 O ATOM 0 H GLU A 57 8.856 31.860 51.083 1.00 0.00 H new ATOM 0 HA GLU A 57 10.912 33.002 52.894 1.00 0.00 H new ATOM 0 HB2 GLU A 57 8.970 34.375 51.557 1.00 0.00 H new ATOM 0 HB3 GLU A 57 8.065 33.907 52.983 1.00 0.00 H new ATOM 0 HG2 GLU A 57 10.830 35.118 53.278 1.00 0.00 H new ATOM 0 HG3 GLU A 57 9.444 36.155 53.004 1.00 0.00 H new ATOM 873 N GLU A 58 9.816 30.662 53.874 1.00 0.00 N ATOM 874 CA GLU A 58 9.379 29.724 54.902 1.00 0.00 C ATOM 875 C GLU A 58 10.553 28.876 55.379 1.00 0.00 C ATOM 876 O GLU A 58 11.520 28.670 54.645 1.00 0.00 O ATOM 877 CB GLU A 58 8.272 28.825 54.355 1.00 0.00 C ATOM 878 CG GLU A 58 8.795 27.902 53.258 1.00 0.00 C ATOM 879 CD GLU A 58 7.820 27.870 52.089 1.00 0.00 C ATOM 880 OE1 GLU A 58 7.298 28.942 51.719 1.00 0.00 O ATOM 881 OE2 GLU A 58 7.580 26.772 51.543 1.00 0.00 O ATOM 0 H GLU A 58 10.519 30.290 53.235 1.00 0.00 H new ATOM 0 HA GLU A 58 8.990 30.290 55.748 1.00 0.00 H new ATOM 0 HB2 GLU A 58 7.852 28.228 55.165 1.00 0.00 H new ATOM 0 HB3 GLU A 58 7.463 29.440 53.960 1.00 0.00 H new ATOM 0 HG2 GLU A 58 9.771 28.247 52.917 1.00 0.00 H new ATOM 0 HG3 GLU A 58 8.933 26.896 53.654 1.00 0.00 H new ATOM 888 N PRO A 59 10.484 28.370 56.623 1.00 0.00 N ATOM 889 CA PRO A 59 11.548 27.536 57.202 1.00 0.00 C ATOM 890 C PRO A 59 11.604 26.155 56.563 1.00 0.00 C ATOM 891 O PRO A 59 12.683 25.621 56.306 1.00 0.00 O ATOM 892 CB PRO A 59 11.172 27.432 58.674 1.00 0.00 C ATOM 893 CG PRO A 59 9.699 27.653 58.720 1.00 0.00 C ATOM 894 CD PRO A 59 9.368 28.563 57.566 1.00 0.00 C ATOM 0 HA PRO A 59 12.536 27.968 57.040 1.00 0.00 H new ATOM 0 HB2 PRO A 59 11.436 26.455 59.079 1.00 0.00 H new ATOM 0 HB3 PRO A 59 11.700 28.177 59.269 1.00 0.00 H new ATOM 0 HG2 PRO A 59 9.162 26.708 58.636 1.00 0.00 H new ATOM 0 HG3 PRO A 59 9.404 28.104 59.667 1.00 0.00 H new ATOM 0 HD2 PRO A 59 8.413 28.299 57.112 1.00 0.00 H new ATOM 0 HD3 PRO A 59 9.293 29.602 57.887 1.00 0.00 H new ATOM 902 N LEU A 60 10.434 25.583 56.309 1.00 0.00 N ATOM 903 CA LEU A 60 10.342 24.261 55.701 1.00 0.00 C ATOM 904 C LEU A 60 10.714 24.327 54.225 1.00 0.00 C ATOM 905 O LEU A 60 10.573 25.369 53.585 1.00 0.00 O ATOM 906 CB LEU A 60 8.927 23.717 55.856 1.00 0.00 C ATOM 907 CG LEU A 60 8.458 23.803 57.306 1.00 0.00 C ATOM 908 CD1 LEU A 60 6.949 24.014 57.368 1.00 0.00 C ATOM 909 CD2 LEU A 60 8.855 22.545 58.073 1.00 0.00 C ATOM 0 H LEU A 60 9.533 26.015 56.515 1.00 0.00 H new ATOM 0 HA LEU A 60 11.040 23.594 56.207 1.00 0.00 H new ATOM 0 HB2 LEU A 60 8.246 24.280 55.217 1.00 0.00 H new ATOM 0 HB3 LEU A 60 8.895 22.680 55.521 1.00 0.00 H new ATOM 0 HG LEU A 60 8.944 24.659 57.775 1.00 0.00 H new ATOM 0 HD11 LEU A 60 6.632 24.073 58.409 1.00 0.00 H new ATOM 0 HD12 LEU A 60 6.690 24.941 56.857 1.00 0.00 H new ATOM 0 HD13 LEU A 60 6.445 23.179 56.882 1.00 0.00 H new ATOM 0 HD21 LEU A 60 8.512 22.625 59.105 1.00 0.00 H new ATOM 0 HD22 LEU A 60 8.397 21.674 57.605 1.00 0.00 H new ATOM 0 HD23 LEU A 60 9.940 22.437 58.058 1.00 0.00 H new ATOM 921 N GLN A 61 11.188 23.207 53.690 1.00 0.00 N ATOM 922 CA GLN A 61 11.581 23.131 52.287 1.00 0.00 C ATOM 923 C GLN A 61 11.507 21.691 51.794 1.00 0.00 C ATOM 924 O GLN A 61 12.406 20.891 52.052 1.00 0.00 O ATOM 925 CB GLN A 61 12.999 23.666 52.111 1.00 0.00 C ATOM 926 CG GLN A 61 13.061 24.714 51.004 1.00 0.00 C ATOM 927 CD GLN A 61 14.228 24.426 50.068 1.00 0.00 C ATOM 928 OE1 GLN A 61 14.031 24.057 48.910 1.00 0.00 O ATOM 929 NE2 GLN A 61 15.446 24.595 50.569 1.00 0.00 N ATOM 0 H GLN A 61 11.310 22.337 54.208 1.00 0.00 H new ATOM 0 HA GLN A 61 10.894 23.740 51.700 1.00 0.00 H new ATOM 0 HB2 GLN A 61 13.344 24.103 53.048 1.00 0.00 H new ATOM 0 HB3 GLN A 61 13.674 22.843 51.875 1.00 0.00 H new ATOM 0 HG2 GLN A 61 12.127 24.715 50.442 1.00 0.00 H new ATOM 0 HG3 GLN A 61 13.172 25.707 51.440 1.00 0.00 H new ATOM 0 HE21 GLN A 61 15.562 24.902 51.535 1.00 0.00 H new ATOM 0 HE22 GLN A 61 16.265 24.418 49.988 1.00 0.00 H new ATOM 938 N GLY A 62 10.431 21.367 51.085 1.00 0.00 N ATOM 939 CA GLY A 62 10.240 20.021 50.555 1.00 0.00 C ATOM 940 C GLY A 62 10.264 20.033 49.031 1.00 0.00 C ATOM 941 O GLY A 62 10.896 20.893 48.419 1.00 0.00 O ATOM 0 H GLY A 62 9.677 22.018 50.864 1.00 0.00 H new ATOM 0 HA2 GLY A 62 11.023 19.362 50.931 1.00 0.00 H new ATOM 0 HA3 GLY A 62 9.290 19.618 50.905 1.00 0.00 H new ATOM 945 N PRO A 63 9.572 19.071 48.396 1.00 0.00 N ATOM 946 CA PRO A 63 9.515 18.971 46.934 1.00 0.00 C ATOM 947 C PRO A 63 8.493 19.931 46.335 1.00 0.00 C ATOM 948 O PRO A 63 7.489 20.256 46.968 1.00 0.00 O ATOM 949 CB PRO A 63 9.111 17.526 46.683 1.00 0.00 C ATOM 950 CG PRO A 63 8.386 17.084 47.917 1.00 0.00 C ATOM 951 CD PRO A 63 8.792 18.006 49.047 1.00 0.00 C ATOM 0 HA PRO A 63 10.464 19.238 46.469 1.00 0.00 H new ATOM 0 HB2 PRO A 63 8.471 17.446 45.804 1.00 0.00 H new ATOM 0 HB3 PRO A 63 9.985 16.902 46.499 1.00 0.00 H new ATOM 0 HG2 PRO A 63 7.308 17.122 47.761 1.00 0.00 H new ATOM 0 HG3 PRO A 63 8.637 16.051 48.158 1.00 0.00 H new ATOM 0 HD2 PRO A 63 7.920 18.411 49.561 1.00 0.00 H new ATOM 0 HD3 PRO A 63 9.386 17.480 49.794 1.00 0.00 H new ATOM 959 N PHE A 64 8.757 20.383 45.114 1.00 0.00 N ATOM 960 CA PHE A 64 7.860 21.307 44.429 1.00 0.00 C ATOM 961 C PHE A 64 7.030 20.571 43.384 1.00 0.00 C ATOM 962 O PHE A 64 7.353 19.447 42.999 1.00 0.00 O ATOM 963 CB PHE A 64 8.666 22.415 43.758 1.00 0.00 C ATOM 964 CG PHE A 64 9.286 23.377 44.741 1.00 0.00 C ATOM 965 CD1 PHE A 64 8.481 24.104 45.603 1.00 0.00 C ATOM 966 CD2 PHE A 64 10.661 23.538 44.779 1.00 0.00 C ATOM 967 CE1 PHE A 64 9.051 24.990 46.502 1.00 0.00 C ATOM 968 CE2 PHE A 64 11.231 24.423 45.679 1.00 0.00 C ATOM 969 CZ PHE A 64 10.426 25.149 46.540 1.00 0.00 C ATOM 0 H PHE A 64 9.585 20.124 44.578 1.00 0.00 H new ATOM 0 HA PHE A 64 7.187 21.745 45.166 1.00 0.00 H new ATOM 0 HB2 PHE A 64 9.453 21.967 43.152 1.00 0.00 H new ATOM 0 HB3 PHE A 64 8.017 22.968 43.079 1.00 0.00 H new ATOM 0 HD1 PHE A 64 7.409 23.980 45.574 1.00 0.00 H new ATOM 0 HD2 PHE A 64 11.289 22.973 44.106 1.00 0.00 H new ATOM 0 HE1 PHE A 64 8.423 25.557 47.173 1.00 0.00 H new ATOM 0 HE2 PHE A 64 12.303 24.547 45.709 1.00 0.00 H new ATOM 0 HZ PHE A 64 10.870 25.840 47.241 1.00 0.00 H new ATOM 979 N ASN A 65 5.964 21.217 42.924 1.00 0.00 N ATOM 980 CA ASN A 65 5.084 20.635 41.915 1.00 0.00 C ATOM 981 C ASN A 65 4.730 21.686 40.871 1.00 0.00 C ATOM 982 O ASN A 65 4.495 22.847 41.205 1.00 0.00 O ATOM 983 CB ASN A 65 3.814 20.102 42.571 1.00 0.00 C ATOM 984 CG ASN A 65 4.163 19.287 43.809 1.00 0.00 C ATOM 985 OD1 ASN A 65 4.169 18.056 43.773 1.00 0.00 O ATOM 986 ND2 ASN A 65 4.454 19.973 44.907 1.00 0.00 N ATOM 0 H ASN A 65 5.687 22.148 43.235 1.00 0.00 H new ATOM 0 HA ASN A 65 5.601 19.808 41.428 1.00 0.00 H new ATOM 0 HB2 ASN A 65 3.162 20.931 42.845 1.00 0.00 H new ATOM 0 HB3 ASN A 65 3.263 19.483 41.863 1.00 0.00 H new ATOM 0 HD21 ASN A 65 4.695 19.481 45.767 1.00 0.00 H new ATOM 0 HD22 ASN A 65 4.437 20.993 44.891 1.00 0.00 H new ATOM 993 N PHE A 66 4.703 21.281 39.607 1.00 0.00 N ATOM 994 CA PHE A 66 4.388 22.203 38.522 1.00 0.00 C ATOM 995 C PHE A 66 3.266 21.661 37.647 1.00 0.00 C ATOM 996 O PHE A 66 2.929 20.478 37.704 1.00 0.00 O ATOM 997 CB PHE A 66 5.628 22.444 37.669 1.00 0.00 C ATOM 998 CG PHE A 66 6.776 23.040 38.446 1.00 0.00 C ATOM 999 CD1 PHE A 66 7.560 22.235 39.257 1.00 0.00 C ATOM 1000 CD2 PHE A 66 7.050 24.393 38.346 1.00 0.00 C ATOM 1001 CE1 PHE A 66 8.616 22.785 39.965 1.00 0.00 C ATOM 1002 CE2 PHE A 66 8.104 24.943 39.052 1.00 0.00 C ATOM 1003 CZ PHE A 66 8.888 24.139 39.863 1.00 0.00 C ATOM 0 H PHE A 66 4.894 20.325 39.309 1.00 0.00 H new ATOM 0 HA PHE A 66 4.057 23.143 38.964 1.00 0.00 H new ATOM 0 HB2 PHE A 66 5.947 21.500 37.228 1.00 0.00 H new ATOM 0 HB3 PHE A 66 5.371 23.110 36.845 1.00 0.00 H new ATOM 0 HD1 PHE A 66 7.348 21.179 39.337 1.00 0.00 H new ATOM 0 HD2 PHE A 66 6.439 25.021 37.715 1.00 0.00 H new ATOM 0 HE1 PHE A 66 9.227 22.158 40.597 1.00 0.00 H new ATOM 0 HE2 PHE A 66 8.316 25.999 38.971 1.00 0.00 H new ATOM 0 HZ PHE A 66 9.711 24.568 40.415 1.00 0.00 H new ATOM 1013 N ARG A 67 2.700 22.543 36.831 1.00 0.00 N ATOM 1014 CA ARG A 67 1.618 22.182 35.922 1.00 0.00 C ATOM 1015 C ARG A 67 1.571 23.175 34.769 1.00 0.00 C ATOM 1016 O ARG A 67 0.579 23.880 34.581 1.00 0.00 O ATOM 1017 CB ARG A 67 0.288 22.184 36.668 1.00 0.00 C ATOM 1018 CG ARG A 67 0.128 23.450 37.504 1.00 0.00 C ATOM 1019 CD ARG A 67 -1.138 24.209 37.119 1.00 0.00 C ATOM 1020 NE ARG A 67 -2.313 23.368 37.321 1.00 0.00 N ATOM 1021 CZ ARG A 67 -3.543 23.821 37.098 1.00 0.00 C ATOM 1022 NH1 ARG A 67 -4.052 24.771 37.869 1.00 0.00 N ATOM 1023 NH2 ARG A 67 -4.264 23.324 36.102 1.00 0.00 N ATOM 0 H ARG A 67 2.976 23.524 36.781 1.00 0.00 H new ATOM 0 HA ARG A 67 1.797 21.182 35.528 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -0.533 22.110 35.954 1.00 0.00 H new ATOM 0 HB3 ARG A 67 0.229 21.308 37.314 1.00 0.00 H new ATOM 0 HG2 ARG A 67 0.091 23.188 38.561 1.00 0.00 H new ATOM 0 HG3 ARG A 67 0.997 24.093 37.365 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -1.223 25.115 37.719 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -1.080 24.521 36.076 1.00 0.00 H new ATOM 0 HE ARG A 67 -2.188 22.408 37.642 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -3.500 25.156 38.635 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -4.996 25.117 37.696 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -3.875 22.593 35.506 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -5.207 23.672 35.932 1.00 0.00 H new ATOM 1037 N PHE A 68 2.660 23.237 34.011 1.00 0.00 N ATOM 1038 CA PHE A 68 2.762 24.158 32.883 1.00 0.00 C ATOM 1039 C PHE A 68 1.582 24.013 31.942 1.00 0.00 C ATOM 1040 O PHE A 68 0.777 23.089 32.058 1.00 0.00 O ATOM 1041 CB PHE A 68 4.057 23.919 32.115 1.00 0.00 C ATOM 1042 CG PHE A 68 4.305 22.462 31.821 1.00 0.00 C ATOM 1043 CD1 PHE A 68 3.451 21.767 30.980 1.00 0.00 C ATOM 1044 CD2 PHE A 68 5.387 21.815 32.394 1.00 0.00 C ATOM 1045 CE1 PHE A 68 3.680 20.428 30.712 1.00 0.00 C ATOM 1046 CE2 PHE A 68 5.617 20.476 32.127 1.00 0.00 C ATOM 1047 CZ PHE A 68 4.763 19.782 31.286 1.00 0.00 C ATOM 0 H PHE A 68 3.487 22.659 34.157 1.00 0.00 H new ATOM 0 HA PHE A 68 2.760 25.171 33.286 1.00 0.00 H new ATOM 0 HB2 PHE A 68 4.025 24.473 31.177 1.00 0.00 H new ATOM 0 HB3 PHE A 68 4.893 24.316 32.691 1.00 0.00 H new ATOM 0 HD1 PHE A 68 2.606 22.270 30.533 1.00 0.00 H new ATOM 0 HD2 PHE A 68 6.053 22.356 33.050 1.00 0.00 H new ATOM 0 HE1 PHE A 68 3.014 19.887 30.056 1.00 0.00 H new ATOM 0 HE2 PHE A 68 6.462 19.973 32.574 1.00 0.00 H new ATOM 0 HZ PHE A 68 4.941 18.737 31.078 1.00 0.00 H new ATOM 1057 N LEU A 69 1.503 24.942 31.002 1.00 0.00 N ATOM 1058 CA LEU A 69 0.443 24.958 30.004 1.00 0.00 C ATOM 1059 C LEU A 69 1.055 25.239 28.641 1.00 0.00 C ATOM 1060 O LEU A 69 0.887 26.329 28.095 1.00 0.00 O ATOM 1061 CB LEU A 69 -0.591 26.036 30.341 1.00 0.00 C ATOM 1062 CG LEU A 69 -0.854 26.127 31.844 1.00 0.00 C ATOM 1063 CD1 LEU A 69 -1.516 27.457 32.190 1.00 0.00 C ATOM 1064 CD2 LEU A 69 -1.724 24.963 32.309 1.00 0.00 C ATOM 0 H LEU A 69 2.172 25.707 30.909 1.00 0.00 H new ATOM 0 HA LEU A 69 -0.059 23.990 29.994 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -0.241 27.001 29.975 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -1.524 25.818 29.822 1.00 0.00 H new ATOM 0 HG LEU A 69 0.103 26.070 32.363 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -1.696 27.505 33.264 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -0.861 28.277 31.895 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -2.464 27.541 31.659 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -1.900 25.046 33.382 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -2.678 24.988 31.782 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -1.217 24.022 32.096 1.00 0.00 H new ATOM 1076 N THR A 70 1.788 24.251 28.114 1.00 0.00 N ATOM 1077 CA THR A 70 2.476 24.359 26.817 1.00 0.00 C ATOM 1078 C THR A 70 1.738 25.274 25.844 1.00 0.00 C ATOM 1079 O THR A 70 0.509 25.275 25.779 1.00 0.00 O ATOM 1080 CB THR A 70 2.636 22.975 26.199 1.00 0.00 C ATOM 1081 OG1 THR A 70 1.683 22.084 26.754 1.00 0.00 O ATOM 1082 CG2 THR A 70 4.047 22.440 26.430 1.00 0.00 C ATOM 0 H THR A 70 1.923 23.351 28.574 1.00 0.00 H new ATOM 0 HA THR A 70 3.455 24.801 27.004 1.00 0.00 H new ATOM 0 HB THR A 70 2.469 23.055 25.125 1.00 0.00 H new ATOM 0 HG1 THR A 70 2.043 21.690 27.576 1.00 0.00 H new ATOM 0 HG21 THR A 70 4.139 21.451 25.981 1.00 0.00 H new ATOM 0 HG22 THR A 70 4.771 23.115 25.974 1.00 0.00 H new ATOM 0 HG23 THR A 70 4.239 22.371 27.501 1.00 0.00 H new ATOM 1090 N GLU A 71 2.509 26.058 25.099 1.00 0.00 N ATOM 1091 CA GLU A 71 1.954 26.996 24.131 1.00 0.00 C ATOM 1092 C GLU A 71 0.937 26.308 23.227 1.00 0.00 C ATOM 1093 O GLU A 71 -0.158 26.827 23.009 1.00 0.00 O ATOM 1094 CB GLU A 71 3.078 27.602 23.295 1.00 0.00 C ATOM 1095 CG GLU A 71 4.183 28.183 24.177 1.00 0.00 C ATOM 1096 CD GLU A 71 4.984 29.219 23.399 1.00 0.00 C ATOM 1097 OE1 GLU A 71 4.364 30.064 22.719 1.00 0.00 O ATOM 1098 OE2 GLU A 71 6.231 29.183 23.469 1.00 0.00 O ATOM 0 H GLU A 71 3.528 26.062 25.148 1.00 0.00 H new ATOM 0 HA GLU A 71 1.441 27.790 24.674 1.00 0.00 H new ATOM 0 HB2 GLU A 71 3.498 26.838 22.640 1.00 0.00 H new ATOM 0 HB3 GLU A 71 2.674 28.385 22.653 1.00 0.00 H new ATOM 0 HG2 GLU A 71 3.747 28.641 25.065 1.00 0.00 H new ATOM 0 HG3 GLU A 71 4.842 27.385 24.520 1.00 0.00 H new ATOM 1105 N LYS A 72 1.297 25.141 22.701 1.00 0.00 N ATOM 1106 CA LYS A 72 0.403 24.396 21.818 1.00 0.00 C ATOM 1107 C LYS A 72 0.458 22.904 22.124 1.00 0.00 C ATOM 1108 O LYS A 72 0.574 22.079 21.219 1.00 0.00 O ATOM 1109 CB LYS A 72 0.775 24.645 20.356 1.00 0.00 C ATOM 1110 CG LYS A 72 2.288 24.679 20.160 1.00 0.00 C ATOM 1111 CD LYS A 72 2.936 23.393 20.662 1.00 0.00 C ATOM 1112 CE LYS A 72 4.424 23.352 20.327 1.00 0.00 C ATOM 1113 NZ LYS A 72 4.766 22.137 19.536 1.00 0.00 N ATOM 0 H LYS A 72 2.197 24.692 22.869 1.00 0.00 H new ATOM 0 HA LYS A 72 -0.615 24.746 21.990 1.00 0.00 H new ATOM 0 HB2 LYS A 72 0.344 23.862 19.732 1.00 0.00 H new ATOM 0 HB3 LYS A 72 0.343 25.590 20.026 1.00 0.00 H new ATOM 0 HG2 LYS A 72 2.518 24.817 19.104 1.00 0.00 H new ATOM 0 HG3 LYS A 72 2.708 25.533 20.692 1.00 0.00 H new ATOM 0 HD2 LYS A 72 2.802 23.313 21.741 1.00 0.00 H new ATOM 0 HD3 LYS A 72 2.437 22.534 20.214 1.00 0.00 H new ATOM 0 HE2 LYS A 72 4.697 24.244 19.764 1.00 0.00 H new ATOM 0 HE3 LYS A 72 5.007 23.365 21.248 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 5.720 21.813 19.792 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 4.078 21.384 19.741 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 4.738 22.364 18.521 1.00 0.00 H new ATOM 1127 N GLY A 73 0.372 22.564 23.405 1.00 0.00 N ATOM 1128 CA GLY A 73 0.410 21.169 23.829 1.00 0.00 C ATOM 1129 C GLY A 73 -0.695 20.885 24.837 1.00 0.00 C ATOM 1130 O GLY A 73 -1.875 20.852 24.489 1.00 0.00 O ATOM 0 H GLY A 73 0.276 23.234 24.168 1.00 0.00 H new ATOM 0 HA2 GLY A 73 0.296 20.517 22.963 1.00 0.00 H new ATOM 0 HA3 GLY A 73 1.380 20.944 24.272 1.00 0.00 H new ATOM 1134 N MET A 74 -0.303 20.683 26.089 1.00 0.00 N ATOM 1135 CA MET A 74 -1.255 20.405 27.157 1.00 0.00 C ATOM 1136 C MET A 74 -0.582 20.562 28.514 1.00 0.00 C ATOM 1137 O MET A 74 0.645 20.578 28.610 1.00 0.00 O ATOM 1138 CB MET A 74 -1.806 18.990 27.009 1.00 0.00 C ATOM 1139 CG MET A 74 -0.681 17.978 26.809 1.00 0.00 C ATOM 1140 SD MET A 74 -1.227 16.284 27.079 1.00 0.00 S ATOM 1141 CE MET A 74 0.281 15.376 26.703 1.00 0.00 C ATOM 0 H MET A 74 0.671 20.707 26.390 1.00 0.00 H new ATOM 0 HA MET A 74 -2.078 21.116 27.088 1.00 0.00 H new ATOM 0 HB2 MET A 74 -2.382 18.727 27.896 1.00 0.00 H new ATOM 0 HB3 MET A 74 -2.490 18.950 26.161 1.00 0.00 H new ATOM 0 HG2 MET A 74 -0.286 18.073 25.798 1.00 0.00 H new ATOM 0 HG3 MET A 74 0.136 18.207 27.493 1.00 0.00 H new ATOM 0 HE1 MET A 74 0.103 14.308 26.825 1.00 0.00 H new ATOM 0 HE2 MET A 74 0.581 15.578 25.675 1.00 0.00 H new ATOM 0 HE3 MET A 74 1.074 15.691 27.381 1.00 0.00 H new ATOM 1151 N LYS A 75 -1.391 20.680 29.561 1.00 0.00 N ATOM 1152 CA LYS A 75 -0.871 20.838 30.915 1.00 0.00 C ATOM 1153 C LYS A 75 -0.873 19.500 31.643 1.00 0.00 C ATOM 1154 O LYS A 75 -1.237 18.473 31.070 1.00 0.00 O ATOM 1155 CB LYS A 75 -1.715 21.850 31.682 1.00 0.00 C ATOM 1156 CG LYS A 75 -3.177 21.420 31.741 1.00 0.00 C ATOM 1157 CD LYS A 75 -4.024 22.199 30.739 1.00 0.00 C ATOM 1158 CE LYS A 75 -5.461 22.356 31.230 1.00 0.00 C ATOM 1159 NZ LYS A 75 -6.110 23.558 30.634 1.00 0.00 N ATOM 0 H LYS A 75 -2.409 20.669 29.499 1.00 0.00 H new ATOM 0 HA LYS A 75 0.155 21.202 30.855 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -1.325 21.960 32.694 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -1.640 22.827 31.204 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -3.253 20.353 31.533 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -3.564 21.577 32.748 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -3.584 23.183 30.575 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -4.020 21.684 29.778 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -6.035 21.466 30.973 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -5.469 22.437 32.317 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -7.085 23.637 30.987 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -5.575 24.409 30.900 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -6.123 23.468 29.598 1.00 0.00 H new ATOM 1173 N ASN A 76 -0.465 19.516 32.908 1.00 0.00 N ATOM 1174 CA ASN A 76 -0.422 18.300 33.713 1.00 0.00 C ATOM 1175 C ASN A 76 0.068 18.609 35.122 1.00 0.00 C ATOM 1176 O ASN A 76 0.146 19.771 35.522 1.00 0.00 O ATOM 1177 CB ASN A 76 0.499 17.276 33.057 1.00 0.00 C ATOM 1178 CG ASN A 76 -0.300 16.060 32.608 1.00 0.00 C ATOM 1179 OD1 ASN A 76 -0.879 16.052 31.521 1.00 0.00 O ATOM 1180 ND2 ASN A 76 -0.333 15.031 33.445 1.00 0.00 N ATOM 0 H ASN A 76 -0.160 20.357 33.398 1.00 0.00 H new ATOM 0 HA ASN A 76 -1.430 17.889 33.777 1.00 0.00 H new ATOM 0 HB2 ASN A 76 1.003 17.725 32.201 1.00 0.00 H new ATOM 0 HB3 ASN A 76 1.275 16.971 33.760 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -0.853 14.189 33.198 1.00 0.00 H new ATOM 0 HD22 ASN A 76 0.162 15.082 34.335 1.00 0.00 H new ATOM 1187 N VAL A 77 0.395 17.562 35.872 1.00 0.00 N ATOM 1188 CA VAL A 77 0.877 17.714 37.240 1.00 0.00 C ATOM 1189 C VAL A 77 2.097 16.828 37.468 1.00 0.00 C ATOM 1190 O VAL A 77 2.193 15.734 36.910 1.00 0.00 O ATOM 1191 CB VAL A 77 -0.234 17.347 38.221 1.00 0.00 C ATOM 1192 CG1 VAL A 77 0.274 17.406 39.659 1.00 0.00 C ATOM 1193 CG2 VAL A 77 -1.432 18.275 38.041 1.00 0.00 C ATOM 0 H VAL A 77 0.335 16.595 35.554 1.00 0.00 H new ATOM 0 HA VAL A 77 1.166 18.752 37.404 1.00 0.00 H new ATOM 0 HB VAL A 77 -0.551 16.325 38.012 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -0.534 17.141 40.341 1.00 0.00 H new ATOM 0 HG12 VAL A 77 1.099 16.704 39.783 1.00 0.00 H new ATOM 0 HG13 VAL A 77 0.620 18.415 39.881 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -2.215 18.000 38.748 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -1.125 19.305 38.223 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -1.813 18.184 37.024 1.00 0.00 H new ATOM 1203 N PHE A 78 3.027 17.305 38.288 1.00 0.00 N ATOM 1204 CA PHE A 78 4.242 16.554 38.586 1.00 0.00 C ATOM 1205 C PHE A 78 4.532 16.579 40.081 1.00 0.00 C ATOM 1206 O PHE A 78 4.453 17.627 40.721 1.00 0.00 O ATOM 1207 CB PHE A 78 5.417 17.146 37.814 1.00 0.00 C ATOM 1208 CG PHE A 78 5.155 17.230 36.332 1.00 0.00 C ATOM 1209 CD1 PHE A 78 4.448 18.303 35.813 1.00 0.00 C ATOM 1210 CD2 PHE A 78 5.618 16.235 35.487 1.00 0.00 C ATOM 1211 CE1 PHE A 78 4.204 18.379 34.452 1.00 0.00 C ATOM 1212 CE2 PHE A 78 5.374 16.311 34.127 1.00 0.00 C ATOM 1213 CZ PHE A 78 4.668 17.383 33.609 1.00 0.00 C ATOM 0 H PHE A 78 2.963 18.208 38.758 1.00 0.00 H new ATOM 0 HA PHE A 78 4.098 15.518 38.280 1.00 0.00 H new ATOM 0 HB2 PHE A 78 5.633 18.143 38.198 1.00 0.00 H new ATOM 0 HB3 PHE A 78 6.305 16.538 37.988 1.00 0.00 H new ATOM 0 HD1 PHE A 78 4.087 19.080 36.470 1.00 0.00 H new ATOM 0 HD2 PHE A 78 6.170 15.399 35.890 1.00 0.00 H new ATOM 0 HE1 PHE A 78 3.652 19.215 34.048 1.00 0.00 H new ATOM 0 HE2 PHE A 78 5.735 15.534 33.470 1.00 0.00 H new ATOM 0 HZ PHE A 78 4.479 17.443 32.547 1.00 0.00 H new ATOM 1223 N ASP A 79 4.868 15.417 40.631 1.00 0.00 N ATOM 1224 CA ASP A 79 5.170 15.300 42.054 1.00 0.00 C ATOM 1225 C ASP A 79 6.636 14.943 42.259 1.00 0.00 C ATOM 1226 O ASP A 79 7.275 14.370 41.376 1.00 0.00 O ATOM 1227 CB ASP A 79 4.282 14.233 42.687 1.00 0.00 C ATOM 1228 CG ASP A 79 3.499 14.822 43.853 1.00 0.00 C ATOM 1229 OD1 ASP A 79 2.454 15.461 43.607 1.00 0.00 O ATOM 1230 OD2 ASP A 79 3.932 14.645 45.011 1.00 0.00 O ATOM 0 H ASP A 79 4.938 14.541 40.113 1.00 0.00 H new ATOM 0 HA ASP A 79 4.975 16.260 42.532 1.00 0.00 H new ATOM 0 HB2 ASP A 79 3.593 13.834 41.942 1.00 0.00 H new ATOM 0 HB3 ASP A 79 4.893 13.400 43.034 1.00 0.00 H new ATOM 1235 N ASP A 80 7.166 15.284 43.430 1.00 0.00 N ATOM 1236 CA ASP A 80 8.561 15.000 43.755 1.00 0.00 C ATOM 1237 C ASP A 80 9.478 15.501 42.647 1.00 0.00 C ATOM 1238 O ASP A 80 10.221 14.725 42.045 1.00 0.00 O ATOM 1239 CB ASP A 80 8.757 13.500 43.950 1.00 0.00 C ATOM 1240 CG ASP A 80 8.180 13.061 45.289 1.00 0.00 C ATOM 1241 OD1 ASP A 80 6.948 12.872 45.373 1.00 0.00 O ATOM 1242 OD2 ASP A 80 8.960 12.907 46.252 1.00 0.00 O ATOM 0 H ASP A 80 6.650 15.758 44.171 1.00 0.00 H new ATOM 0 HA ASP A 80 8.814 15.518 44.680 1.00 0.00 H new ATOM 0 HB2 ASP A 80 8.271 12.955 43.141 1.00 0.00 H new ATOM 0 HB3 ASP A 80 9.819 13.256 43.906 1.00 0.00 H new ATOM 1247 N VAL A 81 9.422 16.801 42.380 1.00 0.00 N ATOM 1248 CA VAL A 81 10.249 17.405 41.340 1.00 0.00 C ATOM 1249 C VAL A 81 11.540 17.973 41.929 1.00 0.00 C ATOM 1250 O VAL A 81 12.498 18.233 41.201 1.00 0.00 O ATOM 1251 CB VAL A 81 9.468 18.509 40.629 1.00 0.00 C ATOM 1252 CG1 VAL A 81 10.332 19.183 39.567 1.00 0.00 C ATOM 1253 CG2 VAL A 81 8.197 17.945 40.000 1.00 0.00 C ATOM 0 H VAL A 81 8.813 17.457 42.869 1.00 0.00 H new ATOM 0 HA VAL A 81 10.514 16.631 40.620 1.00 0.00 H new ATOM 0 HB VAL A 81 9.186 19.258 41.369 1.00 0.00 H new ATOM 0 HG11 VAL A 81 9.757 19.966 39.073 1.00 0.00 H new ATOM 0 HG12 VAL A 81 11.212 19.622 40.038 1.00 0.00 H new ATOM 0 HG13 VAL A 81 10.646 18.444 38.830 1.00 0.00 H new ATOM 0 HG21 VAL A 81 7.653 18.745 39.498 1.00 0.00 H new ATOM 0 HG22 VAL A 81 8.461 17.175 39.275 1.00 0.00 H new ATOM 0 HG23 VAL A 81 7.568 17.511 40.777 1.00 0.00 H new ATOM 1263 N VAL A 82 11.563 18.166 43.245 1.00 0.00 N ATOM 1264 CA VAL A 82 12.740 18.705 43.918 1.00 0.00 C ATOM 1265 C VAL A 82 12.974 17.981 45.242 1.00 0.00 C ATOM 1266 O VAL A 82 12.026 17.677 45.967 1.00 0.00 O ATOM 1267 CB VAL A 82 12.555 20.199 44.169 1.00 0.00 C ATOM 1268 CG1 VAL A 82 13.767 20.777 44.894 1.00 0.00 C ATOM 1269 CG2 VAL A 82 12.318 20.937 42.854 1.00 0.00 C ATOM 0 H VAL A 82 10.781 17.957 43.865 1.00 0.00 H new ATOM 0 HA VAL A 82 13.609 18.553 43.278 1.00 0.00 H new ATOM 0 HB VAL A 82 11.679 20.333 44.804 1.00 0.00 H new ATOM 0 HG11 VAL A 82 13.615 21.843 45.063 1.00 0.00 H new ATOM 0 HG12 VAL A 82 13.893 20.272 45.852 1.00 0.00 H new ATOM 0 HG13 VAL A 82 14.659 20.630 44.286 1.00 0.00 H new ATOM 0 HG21 VAL A 82 12.188 22.001 43.052 1.00 0.00 H new ATOM 0 HG22 VAL A 82 13.175 20.792 42.196 1.00 0.00 H new ATOM 0 HG23 VAL A 82 11.421 20.545 42.373 1.00 0.00 H new ATOM 1279 N PRO A 83 14.245 17.696 45.576 1.00 0.00 N ATOM 1280 CA PRO A 83 14.602 17.004 46.826 1.00 0.00 C ATOM 1281 C PRO A 83 14.431 17.901 48.047 1.00 0.00 C ATOM 1282 O PRO A 83 14.095 19.078 47.921 1.00 0.00 O ATOM 1283 CB PRO A 83 16.067 16.634 46.636 1.00 0.00 C ATOM 1284 CG PRO A 83 16.596 17.621 45.648 1.00 0.00 C ATOM 1285 CD PRO A 83 15.436 18.023 44.772 1.00 0.00 C ATOM 0 HA PRO A 83 13.960 16.142 47.009 1.00 0.00 H new ATOM 0 HB2 PRO A 83 16.612 16.689 47.578 1.00 0.00 H new ATOM 0 HB3 PRO A 83 16.171 15.614 46.267 1.00 0.00 H new ATOM 0 HG2 PRO A 83 17.016 18.489 46.156 1.00 0.00 H new ATOM 0 HG3 PRO A 83 17.396 17.181 45.053 1.00 0.00 H new ATOM 0 HD2 PRO A 83 15.472 19.084 44.526 1.00 0.00 H new ATOM 0 HD3 PRO A 83 15.442 17.477 43.828 1.00 0.00 H new ATOM 1293 N GLU A 84 14.671 17.339 49.228 1.00 0.00 N ATOM 1294 CA GLU A 84 14.549 18.093 50.472 1.00 0.00 C ATOM 1295 C GLU A 84 15.484 19.294 50.446 1.00 0.00 C ATOM 1296 O GLU A 84 15.184 20.342 51.017 1.00 0.00 O ATOM 1297 CB GLU A 84 14.884 17.198 51.662 1.00 0.00 C ATOM 1298 CG GLU A 84 13.624 16.585 52.268 1.00 0.00 C ATOM 1299 CD GLU A 84 13.399 15.185 51.714 1.00 0.00 C ATOM 1300 OE1 GLU A 84 14.252 14.305 51.953 1.00 0.00 O ATOM 1301 OE2 GLU A 84 12.369 14.970 51.040 1.00 0.00 O ATOM 0 H GLU A 84 14.951 16.366 49.350 1.00 0.00 H new ATOM 0 HA GLU A 84 13.522 18.444 50.572 1.00 0.00 H new ATOM 0 HB2 GLU A 84 15.560 16.404 51.344 1.00 0.00 H new ATOM 0 HB3 GLU A 84 15.409 17.779 52.420 1.00 0.00 H new ATOM 0 HG2 GLU A 84 13.717 16.543 53.353 1.00 0.00 H new ATOM 0 HG3 GLU A 84 12.762 17.214 52.046 1.00 0.00 H new ATOM 1308 N LYS A 85 16.619 19.133 49.773 1.00 0.00 N ATOM 1309 CA LYS A 85 17.606 20.202 49.661 1.00 0.00 C ATOM 1310 C LYS A 85 18.147 20.269 48.239 1.00 0.00 C ATOM 1311 O LYS A 85 19.179 19.675 47.928 1.00 0.00 O ATOM 1312 CB LYS A 85 18.747 19.961 50.644 1.00 0.00 C ATOM 1313 CG LYS A 85 18.327 20.303 52.071 1.00 0.00 C ATOM 1314 CD LYS A 85 18.542 19.120 53.010 1.00 0.00 C ATOM 1315 CE LYS A 85 18.937 19.589 54.408 1.00 0.00 C ATOM 1316 NZ LYS A 85 20.234 18.991 54.834 1.00 0.00 N ATOM 0 H LYS A 85 16.879 18.270 49.296 1.00 0.00 H new ATOM 0 HA LYS A 85 17.127 21.152 49.899 1.00 0.00 H new ATOM 0 HB2 LYS A 85 19.059 18.918 50.594 1.00 0.00 H new ATOM 0 HB3 LYS A 85 19.609 20.566 50.361 1.00 0.00 H new ATOM 0 HG2 LYS A 85 18.899 21.160 52.425 1.00 0.00 H new ATOM 0 HG3 LYS A 85 17.277 20.594 52.084 1.00 0.00 H new ATOM 0 HD2 LYS A 85 17.629 18.527 53.067 1.00 0.00 H new ATOM 0 HD3 LYS A 85 19.320 18.470 52.608 1.00 0.00 H new ATOM 0 HE2 LYS A 85 19.014 20.676 54.421 1.00 0.00 H new ATOM 0 HE3 LYS A 85 18.157 19.316 55.119 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 20.475 19.329 55.788 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 20.152 17.954 54.844 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 20.981 19.272 54.168 1.00 0.00 H new ATOM 1330 N TYR A 86 17.440 20.991 47.377 1.00 0.00 N ATOM 1331 CA TYR A 86 17.842 21.134 45.982 1.00 0.00 C ATOM 1332 C TYR A 86 19.292 21.590 45.884 1.00 0.00 C ATOM 1333 O TYR A 86 19.765 22.374 46.706 1.00 0.00 O ATOM 1334 CB TYR A 86 16.932 22.137 45.276 1.00 0.00 C ATOM 1335 CG TYR A 86 17.149 23.557 45.736 1.00 0.00 C ATOM 1336 CD1 TYR A 86 18.237 24.278 45.273 1.00 0.00 C ATOM 1337 CD2 TYR A 86 16.261 24.142 46.623 1.00 0.00 C ATOM 1338 CE1 TYR A 86 18.436 25.581 45.696 1.00 0.00 C ATOM 1339 CE2 TYR A 86 16.462 25.446 47.045 1.00 0.00 C ATOM 1340 CZ TYR A 86 17.548 26.159 46.580 1.00 0.00 C ATOM 1341 OH TYR A 86 17.747 27.454 47.001 1.00 0.00 O ATOM 0 H TYR A 86 16.583 21.488 47.620 1.00 0.00 H new ATOM 0 HA TYR A 86 17.751 20.163 45.496 1.00 0.00 H new ATOM 0 HB2 TYR A 86 17.102 22.079 44.201 1.00 0.00 H new ATOM 0 HB3 TYR A 86 15.892 21.860 45.449 1.00 0.00 H new ATOM 0 HD1 TYR A 86 18.931 23.823 44.581 1.00 0.00 H new ATOM 0 HD2 TYR A 86 15.412 23.582 46.986 1.00 0.00 H new ATOM 0 HE1 TYR A 86 19.284 26.144 45.335 1.00 0.00 H new ATOM 0 HE2 TYR A 86 15.770 25.904 47.737 1.00 0.00 H new ATOM 0 HH TYR A 86 17.634 28.065 46.243 1.00 0.00 H new ATOM 1351 N THR A 87 19.990 21.099 44.866 1.00 0.00 N ATOM 1352 CA THR A 87 21.386 21.458 44.646 1.00 0.00 C ATOM 1353 C THR A 87 21.554 22.051 43.255 1.00 0.00 C ATOM 1354 O THR A 87 21.581 21.325 42.261 1.00 0.00 O ATOM 1355 CB THR A 87 22.276 20.228 44.799 1.00 0.00 C ATOM 1356 OG1 THR A 87 21.722 19.344 45.760 1.00 0.00 O ATOM 1357 CG2 THR A 87 23.690 20.629 45.209 1.00 0.00 C ATOM 0 H THR A 87 19.610 20.449 44.178 1.00 0.00 H new ATOM 0 HA THR A 87 21.681 22.200 45.388 1.00 0.00 H new ATOM 0 HB THR A 87 22.330 19.721 43.836 1.00 0.00 H new ATOM 0 HG1 THR A 87 20.961 18.868 45.367 1.00 0.00 H new ATOM 0 HG21 THR A 87 24.306 19.736 45.312 1.00 0.00 H new ATOM 0 HG22 THR A 87 24.119 21.280 44.447 1.00 0.00 H new ATOM 0 HG23 THR A 87 23.656 21.158 46.161 1.00 0.00 H new ATOM 1365 N ILE A 88 21.664 23.376 43.188 1.00 0.00 N ATOM 1366 CA ILE A 88 21.824 24.076 41.913 1.00 0.00 C ATOM 1367 C ILE A 88 22.844 23.365 41.028 1.00 0.00 C ATOM 1368 O ILE A 88 24.015 23.240 41.387 1.00 0.00 O ATOM 1369 CB ILE A 88 22.264 25.514 42.163 1.00 0.00 C ATOM 1370 CG1 ILE A 88 21.242 26.240 43.035 1.00 0.00 C ATOM 1371 CG2 ILE A 88 22.458 26.255 40.844 1.00 0.00 C ATOM 1372 CD1 ILE A 88 21.902 26.851 44.267 1.00 0.00 C ATOM 0 H ILE A 88 21.645 23.989 44.003 1.00 0.00 H new ATOM 0 HA ILE A 88 20.864 24.077 41.397 1.00 0.00 H new ATOM 0 HB ILE A 88 23.218 25.493 42.689 1.00 0.00 H new ATOM 0 HG12 ILE A 88 20.755 27.023 42.454 1.00 0.00 H new ATOM 0 HG13 ILE A 88 20.464 25.543 43.345 1.00 0.00 H new ATOM 0 HG21 ILE A 88 22.772 27.279 41.045 1.00 0.00 H new ATOM 0 HG22 ILE A 88 23.222 25.751 40.252 1.00 0.00 H new ATOM 0 HG23 ILE A 88 21.519 26.265 40.291 1.00 0.00 H new ATOM 0 HD11 ILE A 88 21.149 27.361 44.868 1.00 0.00 H new ATOM 0 HD12 ILE A 88 22.366 26.063 44.860 1.00 0.00 H new ATOM 0 HD13 ILE A 88 22.663 27.567 43.955 1.00 0.00 H new ATOM 1384 N GLY A 89 22.386 22.900 39.872 1.00 0.00 N ATOM 1385 CA GLY A 89 23.250 22.197 38.930 1.00 0.00 C ATOM 1386 C GLY A 89 22.823 20.739 38.780 1.00 0.00 C ATOM 1387 O GLY A 89 23.610 19.897 38.347 1.00 0.00 O ATOM 0 H GLY A 89 21.419 22.997 39.563 1.00 0.00 H new ATOM 0 HA2 GLY A 89 23.215 22.692 37.959 1.00 0.00 H new ATOM 0 HA3 GLY A 89 24.283 22.244 39.274 1.00 0.00 H new ATOM 1391 N ALA A 90 21.574 20.445 39.136 1.00 0.00 N ATOM 1392 CA ALA A 90 21.048 19.086 39.035 1.00 0.00 C ATOM 1393 C ALA A 90 19.644 19.110 38.446 1.00 0.00 C ATOM 1394 O ALA A 90 18.801 19.906 38.860 1.00 0.00 O ATOM 1395 CB ALA A 90 21.023 18.431 40.413 1.00 0.00 C ATOM 0 H ALA A 90 20.909 21.129 39.496 1.00 0.00 H new ATOM 0 HA ALA A 90 21.697 18.506 38.378 1.00 0.00 H new ATOM 0 HB1 ALA A 90 20.629 17.418 40.327 1.00 0.00 H new ATOM 0 HB2 ALA A 90 22.035 18.394 40.817 1.00 0.00 H new ATOM 0 HB3 ALA A 90 20.387 19.012 41.081 1.00 0.00 H new ATOM 1401 N THR A 91 19.396 18.238 37.473 1.00 0.00 N ATOM 1402 CA THR A 91 18.091 18.170 36.825 1.00 0.00 C ATOM 1403 C THR A 91 17.190 17.156 37.517 1.00 0.00 C ATOM 1404 O THR A 91 17.208 15.969 37.192 1.00 0.00 O ATOM 1405 CB THR A 91 18.249 17.792 35.356 1.00 0.00 C ATOM 1406 OG1 THR A 91 19.123 18.704 34.709 1.00 0.00 O ATOM 1407 CG2 THR A 91 16.891 17.778 34.656 1.00 0.00 C ATOM 0 H THR A 91 20.080 17.570 37.117 1.00 0.00 H new ATOM 0 HA THR A 91 17.629 19.155 36.898 1.00 0.00 H new ATOM 0 HB THR A 91 18.677 16.791 35.300 1.00 0.00 H new ATOM 0 HG1 THR A 91 19.219 18.452 33.767 1.00 0.00 H new ATOM 0 HG21 THR A 91 17.024 17.506 33.609 1.00 0.00 H new ATOM 0 HG22 THR A 91 16.240 17.050 35.140 1.00 0.00 H new ATOM 0 HG23 THR A 91 16.439 18.768 34.719 1.00 0.00 H new ATOM 1415 N TYR A 92 16.387 17.637 38.458 1.00 0.00 N ATOM 1416 CA TYR A 92 15.457 16.781 39.183 1.00 0.00 C ATOM 1417 C TYR A 92 14.227 16.535 38.314 1.00 0.00 C ATOM 1418 O TYR A 92 14.315 16.595 37.087 1.00 0.00 O ATOM 1419 CB TYR A 92 15.066 17.449 40.502 1.00 0.00 C ATOM 1420 CG TYR A 92 16.264 17.853 41.324 1.00 0.00 C ATOM 1421 CD1 TYR A 92 17.114 16.884 41.830 1.00 0.00 C ATOM 1422 CD2 TYR A 92 16.516 19.190 41.576 1.00 0.00 C ATOM 1423 CE1 TYR A 92 18.215 17.253 42.585 1.00 0.00 C ATOM 1424 CE2 TYR A 92 17.617 19.558 42.331 1.00 0.00 C ATOM 1425 CZ TYR A 92 18.461 18.588 42.832 1.00 0.00 C ATOM 1426 OH TYR A 92 19.554 18.954 43.584 1.00 0.00 O ATOM 0 H TYR A 92 16.361 18.618 38.737 1.00 0.00 H new ATOM 0 HA TYR A 92 15.927 15.824 39.410 1.00 0.00 H new ATOM 0 HB2 TYR A 92 14.459 18.330 40.293 1.00 0.00 H new ATOM 0 HB3 TYR A 92 14.446 16.765 41.082 1.00 0.00 H new ATOM 0 HD1 TYR A 92 16.918 15.840 41.636 1.00 0.00 H new ATOM 0 HD2 TYR A 92 15.853 19.947 41.184 1.00 0.00 H new ATOM 0 HE1 TYR A 92 18.879 16.498 42.979 1.00 0.00 H new ATOM 0 HE2 TYR A 92 17.815 20.601 42.527 1.00 0.00 H new ATOM 0 HH TYR A 92 20.354 18.505 43.239 1.00 0.00 H new ATOM 1436 N ALA A 93 13.080 16.268 38.934 1.00 0.00 N ATOM 1437 CA ALA A 93 11.848 16.029 38.185 1.00 0.00 C ATOM 1438 C ALA A 93 11.901 14.680 37.478 1.00 0.00 C ATOM 1439 O ALA A 93 12.895 13.959 37.573 1.00 0.00 O ATOM 1440 CB ALA A 93 11.640 17.141 37.162 1.00 0.00 C ATOM 0 H ALA A 93 12.977 16.212 39.947 1.00 0.00 H new ATOM 0 HA ALA A 93 11.013 16.021 38.886 1.00 0.00 H new ATOM 0 HB1 ALA A 93 10.720 16.957 36.607 1.00 0.00 H new ATOM 0 HB2 ALA A 93 11.568 18.100 37.676 1.00 0.00 H new ATOM 0 HB3 ALA A 93 12.483 17.162 36.471 1.00 0.00 H new ATOM 1446 N PRO A 94 10.825 14.320 36.755 1.00 0.00 N ATOM 1447 CA PRO A 94 10.750 13.047 36.027 1.00 0.00 C ATOM 1448 C PRO A 94 11.538 13.088 34.723 1.00 0.00 C ATOM 1449 O PRO A 94 12.687 12.599 34.706 1.00 0.00 O ATOM 1450 CB PRO A 94 9.264 12.868 35.753 1.00 0.00 C ATOM 1451 CG PRO A 94 8.683 14.246 35.763 1.00 0.00 C ATOM 1452 CD PRO A 94 9.598 15.119 36.588 1.00 0.00 C ATOM 0 HA PRO A 94 11.182 12.226 36.598 1.00 0.00 H new ATOM 0 HB2 PRO A 94 9.099 12.380 34.792 1.00 0.00 H new ATOM 0 HB3 PRO A 94 8.798 12.241 36.513 1.00 0.00 H new ATOM 0 HG2 PRO A 94 8.597 14.633 34.748 1.00 0.00 H new ATOM 0 HG3 PRO A 94 7.679 14.235 36.186 1.00 0.00 H new ATOM 0 HD2 PRO A 94 9.805 16.063 36.084 1.00 0.00 H new ATOM 0 HD3 PRO A 94 9.150 15.363 37.551 1.00 0.00 H new