USER MOD reduce.3.24.130724 H: found=0, std=0, add=505, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 503 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 2:sc= 1.01 USER MOD Single : A 6 SER OG : rot 53:sc= 1.18 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 10 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 15 ASN : amide:sc= -0.855 K(o=-0.86,f=-1.7!) USER MOD Single : A 21 GLN : amide:sc=-0.00718 X(o=-0.0072,f=-0.011) USER MOD Single : A 22 SER OG : rot 53:sc= 0.132 USER MOD Single : A 23 GLN : amide:sc= -0.668 K(o=-0.67,f=-1.2) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 32 GLN : amide:sc= -9.95! C(o=-9.9!,f=-17!) USER MOD Single : A 34 GLN : amide:sc= -0.0929 K(o=-0.093,f=-1.6!) USER MOD Single : A 35 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0118) USER MOD Single : A 39 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0.0444 USER MOD Single : A 45 GLN : amide:sc= -0.94 K(o=-0.94,f=-1.9) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 67 GLN : amide:sc= -7.18 K(o=-7.2,f=-15!) USER MOD Single : A 68 SER OG : rot 82:sc= 0.504 USER MOD Single : A 71 SER OG : rot 180:sc= -0.122 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 33.021 37.132 13.374 1.00 0.00 N ATOM 2 CA GLY A 1 33.349 37.273 11.965 1.00 0.00 C ATOM 3 C GLY A 1 33.236 35.931 11.239 1.00 0.00 C ATOM 4 O GLY A 1 34.185 35.148 11.223 1.00 0.00 O ATOM 0 H1 GLY A 1 33.105 38.056 13.844 1.00 0.00 H new ATOM 0 H2 GLY A 1 32.046 36.782 13.470 1.00 0.00 H new ATOM 0 H3 GLY A 1 33.677 36.457 13.817 1.00 0.00 H new ATOM 0 HA2 GLY A 1 32.679 37.998 11.503 1.00 0.00 H new ATOM 0 HA3 GLY A 1 34.362 37.663 11.861 1.00 0.00 H new ATOM 8 N SER A 2 32.068 35.707 10.656 1.00 0.00 N ATOM 9 CA SER A 2 31.819 34.473 9.930 1.00 0.00 C ATOM 10 C SER A 2 31.744 34.756 8.428 1.00 0.00 C ATOM 11 O SER A 2 31.096 35.712 8.004 1.00 0.00 O ATOM 12 CB SER A 2 30.530 33.802 10.409 1.00 0.00 C ATOM 13 OG SER A 2 29.478 34.743 10.600 1.00 0.00 O ATOM 0 H SER A 2 31.284 36.359 10.671 1.00 0.00 H new ATOM 0 HA SER A 2 32.646 33.789 10.124 1.00 0.00 H new ATOM 0 HB2 SER A 2 30.219 33.053 9.681 1.00 0.00 H new ATOM 0 HB3 SER A 2 30.721 33.277 11.345 1.00 0.00 H new ATOM 0 HG SER A 2 28.672 34.276 10.904 1.00 0.00 H new ATOM 19 N SER A 3 32.415 33.906 7.664 1.00 0.00 N ATOM 20 CA SER A 3 32.432 34.053 6.218 1.00 0.00 C ATOM 21 C SER A 3 31.473 33.048 5.579 1.00 0.00 C ATOM 22 O SER A 3 31.021 33.245 4.452 1.00 0.00 O ATOM 23 CB SER A 3 33.845 33.866 5.662 1.00 0.00 C ATOM 24 OG SER A 3 34.444 35.106 5.297 1.00 0.00 O ATOM 0 H SER A 3 32.951 33.114 8.019 1.00 0.00 H new ATOM 0 HA SER A 3 32.105 35.064 5.973 1.00 0.00 H new ATOM 0 HB2 SER A 3 34.465 33.370 6.408 1.00 0.00 H new ATOM 0 HB3 SER A 3 33.808 33.211 4.791 1.00 0.00 H new ATOM 0 HG SER A 3 35.345 34.944 4.948 1.00 0.00 H new ATOM 30 N GLY A 4 31.189 31.991 6.326 1.00 0.00 N ATOM 31 CA GLY A 4 30.291 30.954 5.847 1.00 0.00 C ATOM 32 C GLY A 4 30.933 29.571 5.972 1.00 0.00 C ATOM 33 O GLY A 4 32.145 29.429 5.817 1.00 0.00 O ATOM 0 H GLY A 4 31.565 31.830 7.260 1.00 0.00 H new ATOM 0 HA2 GLY A 4 29.362 30.980 6.417 1.00 0.00 H new ATOM 0 HA3 GLY A 4 30.031 31.145 4.806 1.00 0.00 H new ATOM 37 N SER A 5 30.092 28.587 6.253 1.00 0.00 N ATOM 38 CA SER A 5 30.563 27.220 6.401 1.00 0.00 C ATOM 39 C SER A 5 29.377 26.281 6.631 1.00 0.00 C ATOM 40 O SER A 5 28.730 26.335 7.676 1.00 0.00 O ATOM 41 CB SER A 5 31.563 27.104 7.553 1.00 0.00 C ATOM 42 OG SER A 5 30.916 27.093 8.823 1.00 0.00 O ATOM 0 H SER A 5 29.088 28.709 6.382 1.00 0.00 H new ATOM 0 HA SER A 5 31.074 26.932 5.482 1.00 0.00 H new ATOM 0 HB2 SER A 5 32.147 26.191 7.436 1.00 0.00 H new ATOM 0 HB3 SER A 5 32.264 27.938 7.510 1.00 0.00 H new ATOM 0 HG SER A 5 29.945 27.139 8.696 1.00 0.00 H new ATOM 48 N SER A 6 29.128 25.440 5.637 1.00 0.00 N ATOM 49 CA SER A 6 28.032 24.490 5.718 1.00 0.00 C ATOM 50 C SER A 6 28.001 23.619 4.460 1.00 0.00 C ATOM 51 O SER A 6 27.943 24.135 3.345 1.00 0.00 O ATOM 52 CB SER A 6 26.693 25.208 5.900 1.00 0.00 C ATOM 53 OG SER A 6 26.320 25.301 7.272 1.00 0.00 O ATOM 0 H SER A 6 29.667 25.397 4.772 1.00 0.00 H new ATOM 0 HA SER A 6 28.194 23.854 6.589 1.00 0.00 H new ATOM 0 HB2 SER A 6 26.757 26.209 5.473 1.00 0.00 H new ATOM 0 HB3 SER A 6 25.918 24.675 5.349 1.00 0.00 H new ATOM 0 HG SER A 6 27.054 25.700 7.784 1.00 0.00 H new ATOM 59 N GLY A 7 28.040 22.313 4.682 1.00 0.00 N ATOM 60 CA GLY A 7 28.017 21.366 3.581 1.00 0.00 C ATOM 61 C GLY A 7 28.990 20.212 3.829 1.00 0.00 C ATOM 62 O GLY A 7 30.183 20.433 4.030 1.00 0.00 O ATOM 0 H GLY A 7 28.087 21.889 5.608 1.00 0.00 H new ATOM 0 HA2 GLY A 7 27.008 20.974 3.455 1.00 0.00 H new ATOM 0 HA3 GLY A 7 28.280 21.875 2.654 1.00 0.00 H new ATOM 66 N SER A 8 28.444 19.005 3.808 1.00 0.00 N ATOM 67 CA SER A 8 29.248 17.815 4.029 1.00 0.00 C ATOM 68 C SER A 8 29.094 16.853 2.850 1.00 0.00 C ATOM 69 O SER A 8 30.037 16.639 2.091 1.00 0.00 O ATOM 70 CB SER A 8 28.858 17.121 5.336 1.00 0.00 C ATOM 71 OG SER A 8 29.925 17.125 6.281 1.00 0.00 O ATOM 0 H SER A 8 27.454 18.825 3.641 1.00 0.00 H new ATOM 0 HA SER A 8 30.292 18.118 4.108 1.00 0.00 H new ATOM 0 HB2 SER A 8 27.990 17.620 5.767 1.00 0.00 H new ATOM 0 HB3 SER A 8 28.563 16.093 5.127 1.00 0.00 H new ATOM 0 HG SER A 8 29.636 16.675 7.102 1.00 0.00 H new ATOM 77 N ARG A 9 27.897 16.297 2.734 1.00 0.00 N ATOM 78 CA ARG A 9 27.606 15.362 1.660 1.00 0.00 C ATOM 79 C ARG A 9 26.177 15.564 1.152 1.00 0.00 C ATOM 80 O ARG A 9 25.255 14.880 1.594 1.00 0.00 O ATOM 81 CB ARG A 9 27.773 13.915 2.130 1.00 0.00 C ATOM 82 CG ARG A 9 29.252 13.529 2.200 1.00 0.00 C ATOM 83 CD ARG A 9 29.449 12.263 3.036 1.00 0.00 C ATOM 84 NE ARG A 9 29.941 11.162 2.179 1.00 0.00 N ATOM 85 CZ ARG A 9 29.148 10.365 1.450 1.00 0.00 C ATOM 86 NH1 ARG A 9 27.820 10.543 1.469 1.00 0.00 N ATOM 87 NH2 ARG A 9 29.682 9.391 0.701 1.00 0.00 N ATOM 0 H ARG A 9 27.117 16.476 3.366 1.00 0.00 H new ATOM 0 HA ARG A 9 28.312 15.554 0.853 1.00 0.00 H new ATOM 0 HB2 ARG A 9 27.315 13.792 3.111 1.00 0.00 H new ATOM 0 HB3 ARG A 9 27.250 13.245 1.448 1.00 0.00 H new ATOM 0 HG2 ARG A 9 29.638 13.368 1.193 1.00 0.00 H new ATOM 0 HG3 ARG A 9 29.825 14.348 2.634 1.00 0.00 H new ATOM 0 HD2 ARG A 9 30.160 12.455 3.840 1.00 0.00 H new ATOM 0 HD3 ARG A 9 28.508 11.977 3.505 1.00 0.00 H new ATOM 0 HE ARG A 9 30.947 10.999 2.141 1.00 0.00 H new ATOM 0 HH11 ARG A 9 27.413 11.285 2.038 1.00 0.00 H new ATOM 0 HH12 ARG A 9 27.216 9.936 0.914 1.00 0.00 H new ATOM 0 HH21 ARG A 9 30.693 9.256 0.685 1.00 0.00 H new ATOM 0 HH22 ARG A 9 29.078 8.785 0.146 1.00 0.00 H new ATOM 101 N GLN A 10 26.038 16.507 0.232 1.00 0.00 N ATOM 102 CA GLN A 10 24.738 16.808 -0.341 1.00 0.00 C ATOM 103 C GLN A 10 23.799 17.359 0.734 1.00 0.00 C ATOM 104 O GLN A 10 24.014 17.137 1.924 1.00 0.00 O ATOM 105 CB GLN A 10 24.135 15.572 -1.013 1.00 0.00 C ATOM 106 CG GLN A 10 24.888 15.226 -2.300 1.00 0.00 C ATOM 107 CD GLN A 10 23.928 14.714 -3.375 1.00 0.00 C ATOM 108 OE1 GLN A 10 23.656 15.372 -4.366 1.00 0.00 O ATOM 109 NE2 GLN A 10 23.432 13.505 -3.126 1.00 0.00 N ATOM 0 H GLN A 10 26.805 17.073 -0.131 1.00 0.00 H new ATOM 0 HA GLN A 10 24.869 17.571 -1.108 1.00 0.00 H new ATOM 0 HB2 GLN A 10 24.172 14.726 -0.327 1.00 0.00 H new ATOM 0 HB3 GLN A 10 23.084 15.753 -1.239 1.00 0.00 H new ATOM 0 HG2 GLN A 10 25.413 16.108 -2.667 1.00 0.00 H new ATOM 0 HG3 GLN A 10 25.644 14.469 -2.091 1.00 0.00 H new ATOM 0 HE21 GLN A 10 23.701 13.008 -2.277 1.00 0.00 H new ATOM 0 HE22 GLN A 10 22.782 13.075 -3.784 1.00 0.00 H new ATOM 118 N ALA A 11 22.778 18.068 0.275 1.00 0.00 N ATOM 119 CA ALA A 11 21.805 18.653 1.183 1.00 0.00 C ATOM 120 C ALA A 11 20.884 17.554 1.714 1.00 0.00 C ATOM 121 O ALA A 11 20.579 16.597 1.004 1.00 0.00 O ATOM 122 CB ALA A 11 21.036 19.761 0.462 1.00 0.00 C ATOM 0 H ALA A 11 22.603 18.251 -0.713 1.00 0.00 H new ATOM 0 HA ALA A 11 22.304 19.107 2.040 1.00 0.00 H new ATOM 0 HB1 ALA A 11 20.306 20.200 1.143 1.00 0.00 H new ATOM 0 HB2 ALA A 11 21.733 20.531 0.131 1.00 0.00 H new ATOM 0 HB3 ALA A 11 20.520 19.343 -0.402 1.00 0.00 H new ATOM 128 N PRO A 12 20.454 17.732 2.992 1.00 0.00 N ATOM 129 CA PRO A 12 19.574 16.766 3.627 1.00 0.00 C ATOM 130 C PRO A 12 18.146 16.892 3.093 1.00 0.00 C ATOM 131 O PRO A 12 17.271 17.429 3.771 1.00 0.00 O ATOM 132 CB PRO A 12 19.679 17.056 5.116 1.00 0.00 C ATOM 133 CG PRO A 12 20.247 18.462 5.227 1.00 0.00 C ATOM 134 CD PRO A 12 20.795 18.852 3.864 1.00 0.00 C ATOM 0 HA PRO A 12 19.858 15.735 3.415 1.00 0.00 H new ATOM 0 HB2 PRO A 12 18.703 16.990 5.597 1.00 0.00 H new ATOM 0 HB3 PRO A 12 20.327 16.333 5.610 1.00 0.00 H new ATOM 0 HG2 PRO A 12 19.474 19.162 5.542 1.00 0.00 H new ATOM 0 HG3 PRO A 12 21.035 18.497 5.980 1.00 0.00 H new ATOM 0 HD2 PRO A 12 20.348 19.781 3.509 1.00 0.00 H new ATOM 0 HD3 PRO A 12 21.873 19.011 3.901 1.00 0.00 H new ATOM 142 N ILE A 13 17.954 16.389 1.882 1.00 0.00 N ATOM 143 CA ILE A 13 16.647 16.439 1.249 1.00 0.00 C ATOM 144 C ILE A 13 15.903 15.130 1.521 1.00 0.00 C ATOM 145 O ILE A 13 16.514 14.064 1.570 1.00 0.00 O ATOM 146 CB ILE A 13 16.784 16.772 -0.238 1.00 0.00 C ATOM 147 CG1 ILE A 13 17.482 18.119 -0.436 1.00 0.00 C ATOM 148 CG2 ILE A 13 15.425 16.721 -0.938 1.00 0.00 C ATOM 149 CD1 ILE A 13 18.141 18.197 -1.815 1.00 0.00 C ATOM 0 H ILE A 13 18.682 15.945 1.322 1.00 0.00 H new ATOM 0 HA ILE A 13 16.047 17.242 1.677 1.00 0.00 H new ATOM 0 HB ILE A 13 17.413 16.013 -0.702 1.00 0.00 H new ATOM 0 HG12 ILE A 13 16.758 18.927 -0.328 1.00 0.00 H new ATOM 0 HG13 ILE A 13 18.235 18.260 0.339 1.00 0.00 H new ATOM 0 HG21 ILE A 13 15.550 16.962 -1.994 1.00 0.00 H new ATOM 0 HG22 ILE A 13 15.003 15.721 -0.841 1.00 0.00 H new ATOM 0 HG23 ILE A 13 14.752 17.445 -0.478 1.00 0.00 H new ATOM 0 HD11 ILE A 13 18.630 19.164 -1.930 1.00 0.00 H new ATOM 0 HD12 ILE A 13 18.881 17.403 -1.910 1.00 0.00 H new ATOM 0 HD13 ILE A 13 17.382 18.080 -2.588 1.00 0.00 H new ATOM 161 N ALA A 14 14.595 15.254 1.690 1.00 0.00 N ATOM 162 CA ALA A 14 13.762 14.094 1.955 1.00 0.00 C ATOM 163 C ALA A 14 14.187 13.458 3.280 1.00 0.00 C ATOM 164 O ALA A 14 15.181 13.866 3.878 1.00 0.00 O ATOM 165 CB ALA A 14 13.858 13.116 0.782 1.00 0.00 C ATOM 0 H ALA A 14 14.092 16.140 1.649 1.00 0.00 H new ATOM 0 HA ALA A 14 12.716 14.387 2.050 1.00 0.00 H new ATOM 0 HB1 ALA A 14 13.233 12.246 0.982 1.00 0.00 H new ATOM 0 HB2 ALA A 14 13.517 13.607 -0.130 1.00 0.00 H new ATOM 0 HB3 ALA A 14 14.893 12.798 0.657 1.00 0.00 H new ATOM 171 N ASN A 15 13.412 12.469 3.701 1.00 0.00 N ATOM 172 CA ASN A 15 13.696 11.772 4.944 1.00 0.00 C ATOM 173 C ASN A 15 15.041 11.052 4.825 1.00 0.00 C ATOM 174 O ASN A 15 15.275 10.322 3.863 1.00 0.00 O ATOM 175 CB ASN A 15 12.623 10.724 5.246 1.00 0.00 C ATOM 176 CG ASN A 15 12.485 9.732 4.089 1.00 0.00 C ATOM 177 OD1 ASN A 15 13.246 8.789 3.951 1.00 0.00 O ATOM 178 ND2 ASN A 15 11.474 9.998 3.267 1.00 0.00 N ATOM 0 H ASN A 15 12.587 12.134 3.203 1.00 0.00 H new ATOM 0 HA ASN A 15 13.715 12.509 5.747 1.00 0.00 H new ATOM 0 HB2 ASN A 15 12.879 10.189 6.160 1.00 0.00 H new ATOM 0 HB3 ASN A 15 11.667 11.217 5.423 1.00 0.00 H new ATOM 0 HD21 ASN A 15 11.298 9.395 2.463 1.00 0.00 H new ATOM 0 HD22 ASN A 15 10.874 10.805 3.441 1.00 0.00 H new ATOM 185 N ALA A 16 15.889 11.283 5.815 1.00 0.00 N ATOM 186 CA ALA A 16 17.205 10.666 5.834 1.00 0.00 C ATOM 187 C ALA A 16 17.215 9.528 6.856 1.00 0.00 C ATOM 188 O ALA A 16 17.029 9.759 8.050 1.00 0.00 O ATOM 189 CB ALA A 16 18.264 11.728 6.133 1.00 0.00 C ATOM 0 H ALA A 16 15.691 11.889 6.611 1.00 0.00 H new ATOM 0 HA ALA A 16 17.441 10.237 4.860 1.00 0.00 H new ATOM 0 HB1 ALA A 16 19.250 11.264 6.147 1.00 0.00 H new ATOM 0 HB2 ALA A 16 18.236 12.497 5.361 1.00 0.00 H new ATOM 0 HB3 ALA A 16 18.062 12.180 7.104 1.00 0.00 H new ATOM 195 N ALA A 17 17.434 8.323 6.351 1.00 0.00 N ATOM 196 CA ALA A 17 17.470 7.148 7.205 1.00 0.00 C ATOM 197 C ALA A 17 18.876 6.544 7.174 1.00 0.00 C ATOM 198 O ALA A 17 19.609 6.719 6.203 1.00 0.00 O ATOM 199 CB ALA A 17 16.399 6.154 6.753 1.00 0.00 C ATOM 0 H ALA A 17 17.588 8.135 5.360 1.00 0.00 H new ATOM 0 HA ALA A 17 17.249 7.418 8.238 1.00 0.00 H new ATOM 0 HB1 ALA A 17 16.427 5.273 7.394 1.00 0.00 H new ATOM 0 HB2 ALA A 17 15.417 6.622 6.821 1.00 0.00 H new ATOM 0 HB3 ALA A 17 16.589 5.858 5.721 1.00 0.00 H new ATOM 205 N VAL A 18 19.209 5.845 8.250 1.00 0.00 N ATOM 206 CA VAL A 18 20.513 5.215 8.358 1.00 0.00 C ATOM 207 C VAL A 18 20.410 3.995 9.276 1.00 0.00 C ATOM 208 O VAL A 18 20.096 4.128 10.458 1.00 0.00 O ATOM 209 CB VAL A 18 21.550 6.235 8.833 1.00 0.00 C ATOM 210 CG1 VAL A 18 21.072 6.955 10.096 1.00 0.00 C ATOM 211 CG2 VAL A 18 22.908 5.569 9.063 1.00 0.00 C ATOM 0 H VAL A 18 18.598 5.702 9.054 1.00 0.00 H new ATOM 0 HA VAL A 18 20.848 4.861 7.383 1.00 0.00 H new ATOM 0 HB VAL A 18 21.671 6.981 8.047 1.00 0.00 H new ATOM 0 HG11 VAL A 18 21.827 7.674 10.413 1.00 0.00 H new ATOM 0 HG12 VAL A 18 20.139 7.478 9.886 1.00 0.00 H new ATOM 0 HG13 VAL A 18 20.909 6.227 10.890 1.00 0.00 H new ATOM 0 HG21 VAL A 18 23.627 6.316 9.400 1.00 0.00 H new ATOM 0 HG22 VAL A 18 22.809 4.793 9.822 1.00 0.00 H new ATOM 0 HG23 VAL A 18 23.257 5.124 8.131 1.00 0.00 H new ATOM 221 N LEU A 19 20.681 2.834 8.697 1.00 0.00 N ATOM 222 CA LEU A 19 20.623 1.592 9.448 1.00 0.00 C ATOM 223 C LEU A 19 22.020 0.969 9.505 1.00 0.00 C ATOM 224 O LEU A 19 22.800 1.100 8.564 1.00 0.00 O ATOM 225 CB LEU A 19 19.559 0.661 8.863 1.00 0.00 C ATOM 226 CG LEU A 19 18.110 0.979 9.240 1.00 0.00 C ATOM 227 CD1 LEU A 19 17.553 2.110 8.373 1.00 0.00 C ATOM 228 CD2 LEU A 19 17.238 -0.277 9.173 1.00 0.00 C ATOM 0 H LEU A 19 20.941 2.728 7.716 1.00 0.00 H new ATOM 0 HA LEU A 19 20.316 1.783 10.476 1.00 0.00 H new ATOM 0 HB2 LEU A 19 19.644 0.682 7.777 1.00 0.00 H new ATOM 0 HB3 LEU A 19 19.781 -0.358 9.181 1.00 0.00 H new ATOM 0 HG LEU A 19 18.094 1.328 10.273 1.00 0.00 H new ATOM 0 HD11 LEU A 19 16.522 2.316 8.662 1.00 0.00 H new ATOM 0 HD12 LEU A 19 18.155 3.007 8.514 1.00 0.00 H new ATOM 0 HD13 LEU A 19 17.584 1.814 7.325 1.00 0.00 H new ATOM 0 HD21 LEU A 19 16.213 -0.024 9.445 1.00 0.00 H new ATOM 0 HD22 LEU A 19 17.255 -0.678 8.160 1.00 0.00 H new ATOM 0 HD23 LEU A 19 17.623 -1.025 9.866 1.00 0.00 H new ATOM 240 N PRO A 20 22.299 0.289 10.649 1.00 0.00 N ATOM 241 CA PRO A 20 23.588 -0.354 10.841 1.00 0.00 C ATOM 242 C PRO A 20 23.691 -1.636 10.012 1.00 0.00 C ATOM 243 O PRO A 20 22.678 -2.175 9.568 1.00 0.00 O ATOM 244 CB PRO A 20 23.684 -0.605 12.337 1.00 0.00 C ATOM 245 CG PRO A 20 22.261 -0.519 12.866 1.00 0.00 C ATOM 246 CD PRO A 20 21.400 0.114 11.785 1.00 0.00 C ATOM 0 HA PRO A 20 24.420 0.262 10.500 1.00 0.00 H new ATOM 0 HB2 PRO A 20 24.118 -1.583 12.542 1.00 0.00 H new ATOM 0 HB3 PRO A 20 24.325 0.135 12.817 1.00 0.00 H new ATOM 0 HG2 PRO A 20 21.887 -1.511 13.120 1.00 0.00 H new ATOM 0 HG3 PRO A 20 22.228 0.077 13.778 1.00 0.00 H new ATOM 0 HD2 PRO A 20 20.556 -0.525 11.527 1.00 0.00 H new ATOM 0 HD3 PRO A 20 20.989 1.068 12.115 1.00 0.00 H new ATOM 254 N GLN A 21 24.923 -2.087 9.829 1.00 0.00 N ATOM 255 CA GLN A 21 25.170 -3.296 9.061 1.00 0.00 C ATOM 256 C GLN A 21 24.888 -4.534 9.915 1.00 0.00 C ATOM 257 O GLN A 21 25.747 -4.975 10.678 1.00 0.00 O ATOM 258 CB GLN A 21 26.601 -3.318 8.519 1.00 0.00 C ATOM 259 CG GLN A 21 26.646 -3.921 7.114 1.00 0.00 C ATOM 260 CD GLN A 21 27.760 -3.286 6.280 1.00 0.00 C ATOM 261 OE1 GLN A 21 27.763 -2.098 6.003 1.00 0.00 O ATOM 262 NE2 GLN A 21 28.703 -4.141 5.896 1.00 0.00 N ATOM 0 H GLN A 21 25.761 -1.638 10.199 1.00 0.00 H new ATOM 0 HA GLN A 21 24.493 -3.306 8.207 1.00 0.00 H new ATOM 0 HB2 GLN A 21 27.001 -2.304 8.496 1.00 0.00 H new ATOM 0 HB3 GLN A 21 27.238 -3.897 9.188 1.00 0.00 H new ATOM 0 HG2 GLN A 21 26.806 -4.997 7.181 1.00 0.00 H new ATOM 0 HG3 GLN A 21 25.686 -3.771 6.619 1.00 0.00 H new ATOM 0 HE21 GLN A 21 28.640 -5.124 6.163 1.00 0.00 H new ATOM 0 HE22 GLN A 21 29.490 -3.814 5.335 1.00 0.00 H new ATOM 271 N SER A 22 23.683 -5.060 9.758 1.00 0.00 N ATOM 272 CA SER A 22 23.277 -6.238 10.505 1.00 0.00 C ATOM 273 C SER A 22 21.959 -6.782 9.949 1.00 0.00 C ATOM 274 O SER A 22 21.028 -6.020 9.692 1.00 0.00 O ATOM 275 CB SER A 22 23.135 -5.924 11.995 1.00 0.00 C ATOM 276 OG SER A 22 24.203 -6.475 12.761 1.00 0.00 O ATOM 0 H SER A 22 22.974 -4.692 9.124 1.00 0.00 H new ATOM 0 HA SER A 22 24.052 -6.997 10.394 1.00 0.00 H new ATOM 0 HB2 SER A 22 23.107 -4.844 12.137 1.00 0.00 H new ATOM 0 HB3 SER A 22 22.186 -6.318 12.360 1.00 0.00 H new ATOM 0 HG SER A 22 25.060 -6.198 12.374 1.00 0.00 H new ATOM 282 N GLN A 23 21.922 -8.095 9.780 1.00 0.00 N ATOM 283 CA GLN A 23 20.734 -8.750 9.259 1.00 0.00 C ATOM 284 C GLN A 23 20.069 -9.590 10.352 1.00 0.00 C ATOM 285 O GLN A 23 20.744 -10.322 11.074 1.00 0.00 O ATOM 286 CB GLN A 23 21.070 -9.606 8.037 1.00 0.00 C ATOM 287 CG GLN A 23 19.909 -9.618 7.040 1.00 0.00 C ATOM 288 CD GLN A 23 19.646 -8.216 6.488 1.00 0.00 C ATOM 289 OE1 GLN A 23 18.841 -7.458 7.004 1.00 0.00 O ATOM 290 NE2 GLN A 23 20.368 -7.914 5.412 1.00 0.00 N ATOM 0 H GLN A 23 22.696 -8.724 9.995 1.00 0.00 H new ATOM 0 HA GLN A 23 20.030 -7.982 8.939 1.00 0.00 H new ATOM 0 HB2 GLN A 23 21.966 -9.219 7.552 1.00 0.00 H new ATOM 0 HB3 GLN A 23 21.294 -10.625 8.353 1.00 0.00 H new ATOM 0 HG2 GLN A 23 20.136 -10.299 6.220 1.00 0.00 H new ATOM 0 HG3 GLN A 23 19.010 -9.995 7.528 1.00 0.00 H new ATOM 0 HE21 GLN A 23 21.024 -8.595 5.031 1.00 0.00 H new ATOM 0 HE22 GLN A 23 20.265 -7.001 4.968 1.00 0.00 H new ATOM 299 N GLY A 24 18.754 -9.457 10.438 1.00 0.00 N ATOM 300 CA GLY A 24 17.991 -10.196 11.430 1.00 0.00 C ATOM 301 C GLY A 24 17.018 -11.169 10.761 1.00 0.00 C ATOM 302 O GLY A 24 17.389 -11.879 9.827 1.00 0.00 O ATOM 0 H GLY A 24 18.197 -8.849 9.837 1.00 0.00 H new ATOM 0 HA2 GLY A 24 18.671 -10.746 12.081 1.00 0.00 H new ATOM 0 HA3 GLY A 24 17.438 -9.500 12.061 1.00 0.00 H new ATOM 306 N ARG A 25 15.793 -11.171 11.264 1.00 0.00 N ATOM 307 CA ARG A 25 14.764 -12.046 10.727 1.00 0.00 C ATOM 308 C ARG A 25 13.701 -11.226 9.993 1.00 0.00 C ATOM 309 O ARG A 25 13.458 -10.070 10.334 1.00 0.00 O ATOM 310 CB ARG A 25 14.095 -12.857 11.839 1.00 0.00 C ATOM 311 CG ARG A 25 12.877 -13.615 11.307 1.00 0.00 C ATOM 312 CD ARG A 25 12.165 -14.367 12.433 1.00 0.00 C ATOM 313 NE ARG A 25 11.324 -15.446 11.868 1.00 0.00 N ATOM 314 CZ ARG A 25 10.591 -16.291 12.606 1.00 0.00 C ATOM 315 NH1 ARG A 25 10.591 -16.187 13.942 1.00 0.00 N ATOM 316 NH2 ARG A 25 9.859 -17.241 12.007 1.00 0.00 N ATOM 0 H ARG A 25 15.489 -10.580 12.038 1.00 0.00 H new ATOM 0 HA ARG A 25 15.243 -12.733 10.030 1.00 0.00 H new ATOM 0 HB2 ARG A 25 14.811 -13.562 12.261 1.00 0.00 H new ATOM 0 HB3 ARG A 25 13.790 -12.191 12.646 1.00 0.00 H new ATOM 0 HG2 ARG A 25 12.185 -12.915 10.838 1.00 0.00 H new ATOM 0 HG3 ARG A 25 13.190 -14.319 10.536 1.00 0.00 H new ATOM 0 HD2 ARG A 25 12.898 -14.788 13.121 1.00 0.00 H new ATOM 0 HD3 ARG A 25 11.548 -13.677 13.009 1.00 0.00 H new ATOM 0 HE ARG A 25 11.301 -15.553 10.854 1.00 0.00 H new ATOM 0 HH11 ARG A 25 11.149 -15.465 14.397 1.00 0.00 H new ATOM 0 HH12 ARG A 25 10.033 -16.830 14.504 1.00 0.00 H new ATOM 0 HH21 ARG A 25 9.860 -17.320 10.990 1.00 0.00 H new ATOM 0 HH22 ARG A 25 9.301 -17.884 12.568 1.00 0.00 H new ATOM 330 N VAL A 26 13.097 -11.858 8.997 1.00 0.00 N ATOM 331 CA VAL A 26 12.065 -11.202 8.212 1.00 0.00 C ATOM 332 C VAL A 26 10.887 -10.846 9.120 1.00 0.00 C ATOM 333 O VAL A 26 10.649 -11.515 10.125 1.00 0.00 O ATOM 334 CB VAL A 26 11.664 -12.088 7.031 1.00 0.00 C ATOM 335 CG1 VAL A 26 10.747 -11.333 6.066 1.00 0.00 C ATOM 336 CG2 VAL A 26 12.898 -12.627 6.305 1.00 0.00 C ATOM 0 H VAL A 26 13.302 -12.817 8.716 1.00 0.00 H new ATOM 0 HA VAL A 26 12.441 -10.270 7.789 1.00 0.00 H new ATOM 0 HB VAL A 26 11.109 -12.939 7.425 1.00 0.00 H new ATOM 0 HG11 VAL A 26 10.477 -11.985 5.236 1.00 0.00 H new ATOM 0 HG12 VAL A 26 9.844 -11.021 6.591 1.00 0.00 H new ATOM 0 HG13 VAL A 26 11.266 -10.454 5.683 1.00 0.00 H new ATOM 0 HG21 VAL A 26 12.584 -13.254 5.470 1.00 0.00 H new ATOM 0 HG22 VAL A 26 13.492 -11.794 5.930 1.00 0.00 H new ATOM 0 HG23 VAL A 26 13.498 -13.218 6.997 1.00 0.00 H new ATOM 346 N ALA A 27 10.180 -9.794 8.734 1.00 0.00 N ATOM 347 CA ALA A 27 9.032 -9.342 9.502 1.00 0.00 C ATOM 348 C ALA A 27 8.552 -7.998 8.949 1.00 0.00 C ATOM 349 O ALA A 27 7.384 -7.851 8.593 1.00 0.00 O ATOM 350 CB ALA A 27 9.406 -9.263 10.983 1.00 0.00 C ATOM 0 H ALA A 27 10.380 -9.242 7.900 1.00 0.00 H new ATOM 0 HA ALA A 27 8.208 -10.050 9.412 1.00 0.00 H new ATOM 0 HB1 ALA A 27 8.544 -8.924 11.558 1.00 0.00 H new ATOM 0 HB2 ALA A 27 9.712 -10.249 11.334 1.00 0.00 H new ATOM 0 HB3 ALA A 27 10.229 -8.560 11.113 1.00 0.00 H new ATOM 356 N ALA A 28 9.478 -7.052 8.896 1.00 0.00 N ATOM 357 CA ALA A 28 9.164 -5.725 8.393 1.00 0.00 C ATOM 358 C ALA A 28 10.307 -4.769 8.742 1.00 0.00 C ATOM 359 O ALA A 28 10.992 -4.955 9.746 1.00 0.00 O ATOM 360 CB ALA A 28 7.823 -5.266 8.967 1.00 0.00 C ATOM 0 H ALA A 28 10.446 -7.178 9.193 1.00 0.00 H new ATOM 0 HA ALA A 28 9.066 -5.739 7.308 1.00 0.00 H new ATOM 0 HB1 ALA A 28 7.587 -4.271 8.590 1.00 0.00 H new ATOM 0 HB2 ALA A 28 7.041 -5.963 8.666 1.00 0.00 H new ATOM 0 HB3 ALA A 28 7.884 -5.237 10.055 1.00 0.00 H new ATOM 366 N SER A 29 10.477 -3.766 7.893 1.00 0.00 N ATOM 367 CA SER A 29 11.524 -2.780 8.099 1.00 0.00 C ATOM 368 C SER A 29 10.910 -1.385 8.233 1.00 0.00 C ATOM 369 O SER A 29 10.059 -0.998 7.435 1.00 0.00 O ATOM 370 CB SER A 29 12.538 -2.806 6.954 1.00 0.00 C ATOM 371 OG SER A 29 13.161 -4.081 6.821 1.00 0.00 O ATOM 0 H SER A 29 9.907 -3.615 7.061 1.00 0.00 H new ATOM 0 HA SER A 29 12.051 -3.028 9.020 1.00 0.00 H new ATOM 0 HB2 SER A 29 12.038 -2.548 6.021 1.00 0.00 H new ATOM 0 HB3 SER A 29 13.300 -2.046 7.128 1.00 0.00 H new ATOM 0 HG SER A 29 13.800 -4.057 6.078 1.00 0.00 H new ATOM 377 N GLU A 30 11.367 -0.668 9.250 1.00 0.00 N ATOM 378 CA GLU A 30 10.874 0.675 9.499 1.00 0.00 C ATOM 379 C GLU A 30 10.664 1.417 8.177 1.00 0.00 C ATOM 380 O GLU A 30 9.598 1.985 7.942 1.00 0.00 O ATOM 381 CB GLU A 30 11.824 1.447 10.416 1.00 0.00 C ATOM 382 CG GLU A 30 11.083 2.555 11.167 1.00 0.00 C ATOM 383 CD GLU A 30 11.867 3.869 11.119 1.00 0.00 C ATOM 384 OE1 GLU A 30 11.810 4.525 10.057 1.00 0.00 O ATOM 385 OE2 GLU A 30 12.504 4.187 12.146 1.00 0.00 O ATOM 0 H GLU A 30 12.073 -0.993 9.911 1.00 0.00 H new ATOM 0 HA GLU A 30 9.913 0.599 10.008 1.00 0.00 H new ATOM 0 HB2 GLU A 30 12.282 0.762 11.130 1.00 0.00 H new ATOM 0 HB3 GLU A 30 12.632 1.880 9.826 1.00 0.00 H new ATOM 0 HG2 GLU A 30 10.096 2.700 10.728 1.00 0.00 H new ATOM 0 HG3 GLU A 30 10.929 2.257 12.204 1.00 0.00 H new ATOM 392 N GLU A 31 11.698 1.389 7.349 1.00 0.00 N ATOM 393 CA GLU A 31 11.640 2.052 6.057 1.00 0.00 C ATOM 394 C GLU A 31 10.278 1.818 5.401 1.00 0.00 C ATOM 395 O GLU A 31 9.612 2.766 4.989 1.00 0.00 O ATOM 396 CB GLU A 31 12.776 1.580 5.147 1.00 0.00 C ATOM 397 CG GLU A 31 13.532 2.769 4.553 1.00 0.00 C ATOM 398 CD GLU A 31 14.028 2.452 3.140 1.00 0.00 C ATOM 399 OE1 GLU A 31 13.243 1.835 2.389 1.00 0.00 O ATOM 400 OE2 GLU A 31 15.181 2.835 2.844 1.00 0.00 O ATOM 0 H GLU A 31 12.581 0.918 7.547 1.00 0.00 H new ATOM 0 HA GLU A 31 11.766 3.123 6.214 1.00 0.00 H new ATOM 0 HB2 GLU A 31 13.464 0.953 5.714 1.00 0.00 H new ATOM 0 HB3 GLU A 31 12.371 0.964 4.344 1.00 0.00 H new ATOM 0 HG2 GLU A 31 12.880 3.642 4.526 1.00 0.00 H new ATOM 0 HG3 GLU A 31 14.378 3.022 5.191 1.00 0.00 H new ATOM 407 N GLN A 32 9.904 0.549 5.324 1.00 0.00 N ATOM 408 CA GLN A 32 8.633 0.178 4.725 1.00 0.00 C ATOM 409 C GLN A 32 7.477 0.828 5.488 1.00 0.00 C ATOM 410 O GLN A 32 6.638 1.503 4.894 1.00 0.00 O ATOM 411 CB GLN A 32 8.473 -1.343 4.677 1.00 0.00 C ATOM 412 CG GLN A 32 9.711 -2.006 4.071 1.00 0.00 C ATOM 413 CD GLN A 32 10.248 -1.191 2.892 1.00 0.00 C ATOM 414 OE1 GLN A 32 10.662 -0.052 3.029 1.00 0.00 O ATOM 415 NE2 GLN A 32 10.217 -1.836 1.730 1.00 0.00 N ATOM 0 H GLN A 32 10.459 -0.235 5.667 1.00 0.00 H new ATOM 0 HA GLN A 32 8.616 0.544 3.699 1.00 0.00 H new ATOM 0 HB2 GLN A 32 8.307 -1.727 5.684 1.00 0.00 H new ATOM 0 HB3 GLN A 32 7.593 -1.601 4.088 1.00 0.00 H new ATOM 0 HG2 GLN A 32 10.485 -2.104 4.832 1.00 0.00 H new ATOM 0 HG3 GLN A 32 9.462 -3.014 3.738 1.00 0.00 H new ATOM 0 HE21 GLN A 32 9.857 -2.789 1.685 1.00 0.00 H new ATOM 0 HE22 GLN A 32 10.553 -1.377 0.883 1.00 0.00 H new ATOM 424 N ILE A 33 7.469 0.600 6.793 1.00 0.00 N ATOM 425 CA ILE A 33 6.430 1.155 7.643 1.00 0.00 C ATOM 426 C ILE A 33 6.267 2.645 7.336 1.00 0.00 C ATOM 427 O ILE A 33 5.151 3.163 7.334 1.00 0.00 O ATOM 428 CB ILE A 33 6.727 0.859 9.115 1.00 0.00 C ATOM 429 CG1 ILE A 33 6.574 -0.633 9.416 1.00 0.00 C ATOM 430 CG2 ILE A 33 5.858 1.721 10.033 1.00 0.00 C ATOM 431 CD1 ILE A 33 7.689 -1.122 10.343 1.00 0.00 C ATOM 0 H ILE A 33 8.166 0.038 7.282 1.00 0.00 H new ATOM 0 HA ILE A 33 5.472 0.680 7.433 1.00 0.00 H new ATOM 0 HB ILE A 33 7.766 1.122 9.314 1.00 0.00 H new ATOM 0 HG12 ILE A 33 5.604 -0.817 9.879 1.00 0.00 H new ATOM 0 HG13 ILE A 33 6.595 -1.200 8.485 1.00 0.00 H new ATOM 0 HG21 ILE A 33 6.089 1.491 11.073 1.00 0.00 H new ATOM 0 HG22 ILE A 33 6.060 2.775 9.841 1.00 0.00 H new ATOM 0 HG23 ILE A 33 4.806 1.512 9.840 1.00 0.00 H new ATOM 0 HD11 ILE A 33 7.557 -2.186 10.541 1.00 0.00 H new ATOM 0 HD12 ILE A 33 8.656 -0.959 9.867 1.00 0.00 H new ATOM 0 HD13 ILE A 33 7.650 -0.570 11.282 1.00 0.00 H new ATOM 443 N GLN A 34 7.395 3.291 7.084 1.00 0.00 N ATOM 444 CA GLN A 34 7.392 4.711 6.776 1.00 0.00 C ATOM 445 C GLN A 34 6.903 4.943 5.345 1.00 0.00 C ATOM 446 O GLN A 34 6.131 5.866 5.090 1.00 0.00 O ATOM 447 CB GLN A 34 8.778 5.322 6.988 1.00 0.00 C ATOM 448 CG GLN A 34 9.235 5.155 8.439 1.00 0.00 C ATOM 449 CD GLN A 34 8.619 6.232 9.335 1.00 0.00 C ATOM 450 OE1 GLN A 34 8.171 7.272 8.881 1.00 0.00 O ATOM 451 NE2 GLN A 34 8.623 5.926 10.629 1.00 0.00 N ATOM 0 H GLN A 34 8.318 2.857 7.087 1.00 0.00 H new ATOM 0 HA GLN A 34 6.704 5.209 7.459 1.00 0.00 H new ATOM 0 HB2 GLN A 34 9.495 4.846 6.320 1.00 0.00 H new ATOM 0 HB3 GLN A 34 8.756 6.381 6.729 1.00 0.00 H new ATOM 0 HG2 GLN A 34 8.950 4.168 8.802 1.00 0.00 H new ATOM 0 HG3 GLN A 34 10.322 5.212 8.491 1.00 0.00 H new ATOM 0 HE21 GLN A 34 9.014 5.037 10.942 1.00 0.00 H new ATOM 0 HE22 GLN A 34 8.235 6.580 11.309 1.00 0.00 H new ATOM 460 N LYS A 35 7.374 4.089 4.448 1.00 0.00 N ATOM 461 CA LYS A 35 6.995 4.189 3.049 1.00 0.00 C ATOM 462 C LYS A 35 5.484 3.989 2.919 1.00 0.00 C ATOM 463 O LYS A 35 4.875 4.442 1.951 1.00 0.00 O ATOM 464 CB LYS A 35 7.819 3.219 2.200 1.00 0.00 C ATOM 465 CG LYS A 35 8.888 3.964 1.398 1.00 0.00 C ATOM 466 CD LYS A 35 9.827 2.984 0.692 1.00 0.00 C ATOM 467 CE LYS A 35 9.138 2.332 -0.508 1.00 0.00 C ATOM 468 NZ LYS A 35 9.118 3.260 -1.661 1.00 0.00 N ATOM 0 H LYS A 35 8.015 3.325 4.663 1.00 0.00 H new ATOM 0 HA LYS A 35 7.220 5.184 2.664 1.00 0.00 H new ATOM 0 HB2 LYS A 35 8.293 2.479 2.844 1.00 0.00 H new ATOM 0 HB3 LYS A 35 7.162 2.676 1.520 1.00 0.00 H new ATOM 0 HG2 LYS A 35 8.410 4.610 0.661 1.00 0.00 H new ATOM 0 HG3 LYS A 35 9.463 4.609 2.063 1.00 0.00 H new ATOM 0 HD2 LYS A 35 10.723 3.508 0.360 1.00 0.00 H new ATOM 0 HD3 LYS A 35 10.149 2.214 1.393 1.00 0.00 H new ATOM 0 HE2 LYS A 35 9.660 1.415 -0.781 1.00 0.00 H new ATOM 0 HE3 LYS A 35 8.119 2.051 -0.242 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 8.740 2.768 -2.496 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 8.515 4.078 -1.438 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 10.085 3.587 -1.861 1.00 0.00 H new ATOM 482 N LEU A 36 4.922 3.309 3.908 1.00 0.00 N ATOM 483 CA LEU A 36 3.493 3.043 3.916 1.00 0.00 C ATOM 484 C LEU A 36 2.788 4.096 4.773 1.00 0.00 C ATOM 485 O LEU A 36 1.841 4.738 4.320 1.00 0.00 O ATOM 486 CB LEU A 36 3.218 1.605 4.359 1.00 0.00 C ATOM 487 CG LEU A 36 3.755 0.506 3.440 1.00 0.00 C ATOM 488 CD1 LEU A 36 3.390 -0.881 3.972 1.00 0.00 C ATOM 489 CD2 LEU A 36 3.277 0.712 2.001 1.00 0.00 C ATOM 0 H LEU A 36 5.430 2.934 4.709 1.00 0.00 H new ATOM 0 HA LEU A 36 3.084 3.125 2.909 1.00 0.00 H new ATOM 0 HB2 LEU A 36 3.647 1.463 5.351 1.00 0.00 H new ATOM 0 HB3 LEU A 36 2.140 1.476 4.456 1.00 0.00 H new ATOM 0 HG LEU A 36 4.843 0.571 3.430 1.00 0.00 H new ATOM 0 HD11 LEU A 36 3.784 -1.644 3.300 1.00 0.00 H new ATOM 0 HD12 LEU A 36 3.820 -1.015 4.965 1.00 0.00 H new ATOM 0 HD13 LEU A 36 2.306 -0.974 4.031 1.00 0.00 H new ATOM 0 HD21 LEU A 36 3.673 -0.083 1.369 1.00 0.00 H new ATOM 0 HD22 LEU A 36 2.188 0.689 1.973 1.00 0.00 H new ATOM 0 HD23 LEU A 36 3.630 1.676 1.635 1.00 0.00 H new ATOM 501 N VAL A 37 3.277 4.241 5.996 1.00 0.00 N ATOM 502 CA VAL A 37 2.705 5.206 6.921 1.00 0.00 C ATOM 503 C VAL A 37 2.709 6.592 6.273 1.00 0.00 C ATOM 504 O VAL A 37 1.829 7.408 6.539 1.00 0.00 O ATOM 505 CB VAL A 37 3.459 5.165 8.251 1.00 0.00 C ATOM 506 CG1 VAL A 37 3.093 6.366 9.126 1.00 0.00 C ATOM 507 CG2 VAL A 37 3.198 3.850 8.989 1.00 0.00 C ATOM 0 H VAL A 37 4.062 3.707 6.368 1.00 0.00 H new ATOM 0 HA VAL A 37 1.668 4.955 7.143 1.00 0.00 H new ATOM 0 HB VAL A 37 4.526 5.221 8.033 1.00 0.00 H new ATOM 0 HG11 VAL A 37 3.643 6.313 10.066 1.00 0.00 H new ATOM 0 HG12 VAL A 37 3.353 7.288 8.606 1.00 0.00 H new ATOM 0 HG13 VAL A 37 2.022 6.354 9.331 1.00 0.00 H new ATOM 0 HG21 VAL A 37 3.746 3.847 9.931 1.00 0.00 H new ATOM 0 HG22 VAL A 37 2.131 3.751 9.189 1.00 0.00 H new ATOM 0 HG23 VAL A 37 3.531 3.015 8.373 1.00 0.00 H new ATOM 517 N ALA A 38 3.711 6.815 5.435 1.00 0.00 N ATOM 518 CA ALA A 38 3.842 8.088 4.747 1.00 0.00 C ATOM 519 C ALA A 38 2.686 8.249 3.757 1.00 0.00 C ATOM 520 O ALA A 38 2.235 9.365 3.500 1.00 0.00 O ATOM 521 CB ALA A 38 5.209 8.161 4.064 1.00 0.00 C ATOM 0 H ALA A 38 4.440 6.135 5.217 1.00 0.00 H new ATOM 0 HA ALA A 38 3.787 8.915 5.455 1.00 0.00 H new ATOM 0 HB1 ALA A 38 5.307 9.116 3.548 1.00 0.00 H new ATOM 0 HB2 ALA A 38 5.995 8.071 4.813 1.00 0.00 H new ATOM 0 HB3 ALA A 38 5.300 7.348 3.343 1.00 0.00 H new ATOM 527 N MET A 39 2.239 7.119 3.229 1.00 0.00 N ATOM 528 CA MET A 39 1.145 7.121 2.273 1.00 0.00 C ATOM 529 C MET A 39 -0.191 7.385 2.970 1.00 0.00 C ATOM 530 O MET A 39 -1.128 7.892 2.354 1.00 0.00 O ATOM 531 CB MET A 39 1.089 5.770 1.558 1.00 0.00 C ATOM 532 CG MET A 39 2.374 5.514 0.768 1.00 0.00 C ATOM 533 SD MET A 39 2.005 5.383 -0.973 1.00 0.00 S ATOM 534 CE MET A 39 2.707 3.779 -1.319 1.00 0.00 C ATOM 0 H MET A 39 2.615 6.196 3.445 1.00 0.00 H new ATOM 0 HA MET A 39 1.321 7.918 1.550 1.00 0.00 H new ATOM 0 HB2 MET A 39 0.942 4.974 2.288 1.00 0.00 H new ATOM 0 HB3 MET A 39 0.233 5.746 0.884 1.00 0.00 H new ATOM 0 HG2 MET A 39 3.083 6.325 0.938 1.00 0.00 H new ATOM 0 HG3 MET A 39 2.849 4.597 1.117 1.00 0.00 H new ATOM 0 HE1 MET A 39 2.563 3.538 -2.372 1.00 0.00 H new ATOM 0 HE2 MET A 39 3.773 3.792 -1.092 1.00 0.00 H new ATOM 0 HE3 MET A 39 2.214 3.026 -0.704 1.00 0.00 H new ATOM 544 N GLY A 40 -0.237 7.030 4.246 1.00 0.00 N ATOM 545 CA GLY A 40 -1.443 7.223 5.034 1.00 0.00 C ATOM 546 C GLY A 40 -1.919 5.901 5.640 1.00 0.00 C ATOM 547 O GLY A 40 -3.118 5.633 5.691 1.00 0.00 O ATOM 0 H GLY A 40 0.541 6.610 4.754 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -1.251 7.943 5.829 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -2.229 7.643 4.406 1.00 0.00 H new ATOM 551 N PHE A 41 -0.953 5.109 6.085 1.00 0.00 N ATOM 552 CA PHE A 41 -1.258 3.822 6.686 1.00 0.00 C ATOM 553 C PHE A 41 -0.777 3.767 8.137 1.00 0.00 C ATOM 554 O PHE A 41 0.052 4.576 8.551 1.00 0.00 O ATOM 555 CB PHE A 41 -0.513 2.762 5.873 1.00 0.00 C ATOM 556 CG PHE A 41 -1.046 2.580 4.450 1.00 0.00 C ATOM 557 CD1 PHE A 41 -2.376 2.390 4.241 1.00 0.00 C ATOM 558 CD2 PHE A 41 -0.189 2.610 3.394 1.00 0.00 C ATOM 559 CE1 PHE A 41 -2.870 2.221 2.920 1.00 0.00 C ATOM 560 CE2 PHE A 41 -0.683 2.442 2.074 1.00 0.00 C ATOM 561 CZ PHE A 41 -2.013 2.251 1.865 1.00 0.00 C ATOM 0 H PHE A 41 0.041 5.334 6.041 1.00 0.00 H new ATOM 0 HA PHE A 41 -2.335 3.655 6.682 1.00 0.00 H new ATOM 0 HB2 PHE A 41 0.542 3.032 5.823 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -0.573 1.808 6.397 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -3.057 2.368 5.079 1.00 0.00 H new ATOM 0 HD2 PHE A 41 0.867 2.762 3.560 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -3.926 2.069 2.754 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -0.003 2.466 1.236 1.00 0.00 H new ATOM 0 HZ PHE A 41 -2.389 2.123 0.861 1.00 0.00 H new ATOM 571 N ASP A 42 -1.318 2.805 8.870 1.00 0.00 N ATOM 572 CA ASP A 42 -0.954 2.633 10.266 1.00 0.00 C ATOM 573 C ASP A 42 0.172 1.603 10.372 1.00 0.00 C ATOM 574 O ASP A 42 0.097 0.532 9.772 1.00 0.00 O ATOM 575 CB ASP A 42 -2.140 2.122 11.086 1.00 0.00 C ATOM 576 CG ASP A 42 -2.199 2.634 12.526 1.00 0.00 C ATOM 577 OD1 ASP A 42 -1.801 3.801 12.731 1.00 0.00 O ATOM 578 OD2 ASP A 42 -2.640 1.846 13.391 1.00 0.00 O ATOM 0 H ASP A 42 -2.006 2.136 8.523 1.00 0.00 H new ATOM 0 HA ASP A 42 -0.638 3.602 10.653 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -3.062 2.404 10.578 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -2.107 1.033 11.105 1.00 0.00 H new ATOM 583 N ARG A 43 1.190 1.963 11.140 1.00 0.00 N ATOM 584 CA ARG A 43 2.331 1.084 11.332 1.00 0.00 C ATOM 585 C ARG A 43 1.859 -0.352 11.568 1.00 0.00 C ATOM 586 O ARG A 43 2.398 -1.291 10.983 1.00 0.00 O ATOM 587 CB ARG A 43 3.181 1.536 12.521 1.00 0.00 C ATOM 588 CG ARG A 43 4.416 0.648 12.681 1.00 0.00 C ATOM 589 CD ARG A 43 5.544 1.401 13.390 1.00 0.00 C ATOM 590 NE ARG A 43 6.786 0.596 13.360 1.00 0.00 N ATOM 591 CZ ARG A 43 7.945 0.982 13.912 1.00 0.00 C ATOM 592 NH1 ARG A 43 8.027 2.163 14.541 1.00 0.00 N ATOM 593 NH2 ARG A 43 9.021 0.187 13.836 1.00 0.00 N ATOM 0 H ARG A 43 1.248 2.852 11.637 1.00 0.00 H new ATOM 0 HA ARG A 43 2.939 1.127 10.429 1.00 0.00 H new ATOM 0 HB2 ARG A 43 3.489 2.572 12.379 1.00 0.00 H new ATOM 0 HB3 ARG A 43 2.584 1.503 13.433 1.00 0.00 H new ATOM 0 HG2 ARG A 43 4.156 -0.244 13.250 1.00 0.00 H new ATOM 0 HG3 ARG A 43 4.757 0.313 11.701 1.00 0.00 H new ATOM 0 HD2 ARG A 43 5.712 2.362 12.905 1.00 0.00 H new ATOM 0 HD3 ARG A 43 5.261 1.610 14.422 1.00 0.00 H new ATOM 0 HE ARG A 43 6.758 -0.309 12.890 1.00 0.00 H new ATOM 0 HH11 ARG A 43 7.208 2.768 14.600 1.00 0.00 H new ATOM 0 HH12 ARG A 43 8.909 2.457 14.961 1.00 0.00 H new ATOM 0 HH21 ARG A 43 8.958 -0.712 13.358 1.00 0.00 H new ATOM 0 HH22 ARG A 43 9.903 0.481 14.256 1.00 0.00 H new ATOM 607 N THR A 44 0.859 -0.479 12.428 1.00 0.00 N ATOM 608 CA THR A 44 0.309 -1.785 12.748 1.00 0.00 C ATOM 609 C THR A 44 -0.186 -2.482 11.479 1.00 0.00 C ATOM 610 O THR A 44 0.092 -3.662 11.266 1.00 0.00 O ATOM 611 CB THR A 44 -0.785 -1.593 13.801 1.00 0.00 C ATOM 612 OG1 THR A 44 -0.212 -0.680 14.733 1.00 0.00 O ATOM 613 CG2 THR A 44 -1.035 -2.858 14.624 1.00 0.00 C ATOM 0 H THR A 44 0.416 0.301 12.913 1.00 0.00 H new ATOM 0 HA THR A 44 1.071 -2.442 13.166 1.00 0.00 H new ATOM 0 HB THR A 44 -1.711 -1.290 13.312 1.00 0.00 H new ATOM 0 HG1 THR A 44 -0.855 -0.498 15.450 1.00 0.00 H new ATOM 0 HG21 THR A 44 -1.820 -2.667 15.356 1.00 0.00 H new ATOM 0 HG22 THR A 44 -1.345 -3.667 13.963 1.00 0.00 H new ATOM 0 HG23 THR A 44 -0.119 -3.143 15.141 1.00 0.00 H new ATOM 621 N GLN A 45 -0.909 -1.723 10.669 1.00 0.00 N ATOM 622 CA GLN A 45 -1.445 -2.253 9.427 1.00 0.00 C ATOM 623 C GLN A 45 -0.306 -2.659 8.488 1.00 0.00 C ATOM 624 O GLN A 45 -0.399 -3.671 7.796 1.00 0.00 O ATOM 625 CB GLN A 45 -2.375 -1.241 8.755 1.00 0.00 C ATOM 626 CG GLN A 45 -3.580 -0.930 9.644 1.00 0.00 C ATOM 627 CD GLN A 45 -4.889 -1.082 8.867 1.00 0.00 C ATOM 628 OE1 GLN A 45 -5.555 -2.103 8.916 1.00 0.00 O ATOM 629 NE2 GLN A 45 -5.219 -0.013 8.149 1.00 0.00 N ATOM 0 H GLN A 45 -1.136 -0.745 10.849 1.00 0.00 H new ATOM 0 HA GLN A 45 -2.034 -3.141 9.658 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -1.827 -0.322 8.544 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -2.717 -1.635 7.798 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -3.584 -1.599 10.504 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -3.498 0.086 10.031 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -4.616 0.810 8.153 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -6.075 -0.015 7.595 1.00 0.00 H new ATOM 638 N VAL A 46 0.741 -1.847 8.495 1.00 0.00 N ATOM 639 CA VAL A 46 1.896 -2.109 7.653 1.00 0.00 C ATOM 640 C VAL A 46 2.561 -3.413 8.098 1.00 0.00 C ATOM 641 O VAL A 46 2.957 -4.227 7.266 1.00 0.00 O ATOM 642 CB VAL A 46 2.848 -0.912 7.684 1.00 0.00 C ATOM 643 CG1 VAL A 46 4.053 -1.146 6.770 1.00 0.00 C ATOM 644 CG2 VAL A 46 2.117 0.379 7.308 1.00 0.00 C ATOM 0 H VAL A 46 0.814 -1.008 9.070 1.00 0.00 H new ATOM 0 HA VAL A 46 1.590 -2.238 6.615 1.00 0.00 H new ATOM 0 HB VAL A 46 3.217 -0.803 8.704 1.00 0.00 H new ATOM 0 HG11 VAL A 46 4.714 -0.280 6.810 1.00 0.00 H new ATOM 0 HG12 VAL A 46 4.595 -2.032 7.102 1.00 0.00 H new ATOM 0 HG13 VAL A 46 3.710 -1.293 5.746 1.00 0.00 H new ATOM 0 HG21 VAL A 46 2.816 1.215 7.338 1.00 0.00 H new ATOM 0 HG22 VAL A 46 1.706 0.285 6.303 1.00 0.00 H new ATOM 0 HG23 VAL A 46 1.307 0.558 8.015 1.00 0.00 H new ATOM 654 N GLU A 47 2.663 -3.571 9.410 1.00 0.00 N ATOM 655 CA GLU A 47 3.273 -4.762 9.975 1.00 0.00 C ATOM 656 C GLU A 47 2.415 -5.992 9.673 1.00 0.00 C ATOM 657 O GLU A 47 2.839 -6.884 8.940 1.00 0.00 O ATOM 658 CB GLU A 47 3.493 -4.603 11.481 1.00 0.00 C ATOM 659 CG GLU A 47 4.635 -3.626 11.768 1.00 0.00 C ATOM 660 CD GLU A 47 5.260 -3.901 13.137 1.00 0.00 C ATOM 661 OE1 GLU A 47 4.489 -3.915 14.121 1.00 0.00 O ATOM 662 OE2 GLU A 47 6.495 -4.090 13.170 1.00 0.00 O ATOM 0 H GLU A 47 2.333 -2.894 10.098 1.00 0.00 H new ATOM 0 HA GLU A 47 4.249 -4.902 9.511 1.00 0.00 H new ATOM 0 HB2 GLU A 47 2.577 -4.245 11.950 1.00 0.00 H new ATOM 0 HB3 GLU A 47 3.720 -5.573 11.923 1.00 0.00 H new ATOM 0 HG2 GLU A 47 5.396 -3.713 10.993 1.00 0.00 H new ATOM 0 HG3 GLU A 47 4.260 -2.603 11.734 1.00 0.00 H new ATOM 669 N VAL A 48 1.224 -6.001 10.254 1.00 0.00 N ATOM 670 CA VAL A 48 0.303 -7.107 10.056 1.00 0.00 C ATOM 671 C VAL A 48 0.339 -7.539 8.588 1.00 0.00 C ATOM 672 O VAL A 48 0.556 -8.711 8.288 1.00 0.00 O ATOM 673 CB VAL A 48 -1.097 -6.713 10.529 1.00 0.00 C ATOM 674 CG1 VAL A 48 -1.791 -5.816 9.501 1.00 0.00 C ATOM 675 CG2 VAL A 48 -1.942 -7.951 10.835 1.00 0.00 C ATOM 0 H VAL A 48 0.876 -5.260 10.862 1.00 0.00 H new ATOM 0 HA VAL A 48 0.604 -7.966 10.655 1.00 0.00 H new ATOM 0 HB VAL A 48 -0.990 -6.144 11.453 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -2.785 -5.550 9.862 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -1.204 -4.909 9.354 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -1.879 -6.349 8.554 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -2.932 -7.642 11.169 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -2.036 -8.559 9.935 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -1.461 -8.535 11.619 1.00 0.00 H new ATOM 685 N ALA A 49 0.123 -6.567 7.714 1.00 0.00 N ATOM 686 CA ALA A 49 0.128 -6.832 6.285 1.00 0.00 C ATOM 687 C ALA A 49 1.477 -7.435 5.887 1.00 0.00 C ATOM 688 O ALA A 49 1.542 -8.580 5.442 1.00 0.00 O ATOM 689 CB ALA A 49 -0.181 -5.540 5.525 1.00 0.00 C ATOM 0 H ALA A 49 -0.056 -5.595 7.967 1.00 0.00 H new ATOM 0 HA ALA A 49 -0.645 -7.555 6.026 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -0.177 -5.739 4.453 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -1.162 -5.169 5.822 1.00 0.00 H new ATOM 0 HB3 ALA A 49 0.576 -4.791 5.758 1.00 0.00 H new ATOM 695 N LEU A 50 2.520 -6.636 6.061 1.00 0.00 N ATOM 696 CA LEU A 50 3.863 -7.076 5.725 1.00 0.00 C ATOM 697 C LEU A 50 4.041 -8.533 6.159 1.00 0.00 C ATOM 698 O LEU A 50 4.812 -9.275 5.552 1.00 0.00 O ATOM 699 CB LEU A 50 4.903 -6.126 6.322 1.00 0.00 C ATOM 700 CG LEU A 50 5.112 -4.806 5.576 1.00 0.00 C ATOM 701 CD1 LEU A 50 5.799 -3.773 6.471 1.00 0.00 C ATOM 702 CD2 LEU A 50 5.875 -5.031 4.269 1.00 0.00 C ATOM 0 H LEU A 50 2.462 -5.687 6.430 1.00 0.00 H new ATOM 0 HA LEU A 50 4.016 -7.043 4.646 1.00 0.00 H new ATOM 0 HB2 LEU A 50 4.612 -5.899 7.348 1.00 0.00 H new ATOM 0 HB3 LEU A 50 5.858 -6.649 6.370 1.00 0.00 H new ATOM 0 HG LEU A 50 4.134 -4.403 5.313 1.00 0.00 H new ATOM 0 HD11 LEU A 50 5.935 -2.845 5.917 1.00 0.00 H new ATOM 0 HD12 LEU A 50 5.181 -3.584 7.349 1.00 0.00 H new ATOM 0 HD13 LEU A 50 6.771 -4.153 6.786 1.00 0.00 H new ATOM 0 HD21 LEU A 50 6.010 -4.078 3.758 1.00 0.00 H new ATOM 0 HD22 LEU A 50 6.850 -5.467 4.487 1.00 0.00 H new ATOM 0 HD23 LEU A 50 5.309 -5.708 3.629 1.00 0.00 H new ATOM 714 N ALA A 51 3.316 -8.898 7.206 1.00 0.00 N ATOM 715 CA ALA A 51 3.384 -10.253 7.727 1.00 0.00 C ATOM 716 C ALA A 51 2.709 -11.209 6.742 1.00 0.00 C ATOM 717 O ALA A 51 3.318 -12.181 6.299 1.00 0.00 O ATOM 718 CB ALA A 51 2.742 -10.298 9.116 1.00 0.00 C ATOM 0 H ALA A 51 2.679 -8.279 7.708 1.00 0.00 H new ATOM 0 HA ALA A 51 4.421 -10.571 7.836 1.00 0.00 H new ATOM 0 HB1 ALA A 51 2.793 -11.314 9.507 1.00 0.00 H new ATOM 0 HB2 ALA A 51 3.276 -9.624 9.786 1.00 0.00 H new ATOM 0 HB3 ALA A 51 1.699 -9.988 9.045 1.00 0.00 H new ATOM 724 N ALA A 52 1.459 -10.899 6.428 1.00 0.00 N ATOM 725 CA ALA A 52 0.695 -11.719 5.503 1.00 0.00 C ATOM 726 C ALA A 52 1.163 -11.438 4.073 1.00 0.00 C ATOM 727 O ALA A 52 0.679 -12.055 3.126 1.00 0.00 O ATOM 728 CB ALA A 52 -0.798 -11.446 5.692 1.00 0.00 C ATOM 0 H ALA A 52 0.957 -10.092 6.798 1.00 0.00 H new ATOM 0 HA ALA A 52 0.860 -12.778 5.702 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -1.371 -12.061 4.998 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -1.086 -11.689 6.715 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -1.003 -10.393 5.498 1.00 0.00 H new ATOM 734 N ALA A 53 2.098 -10.506 3.963 1.00 0.00 N ATOM 735 CA ALA A 53 2.636 -10.136 2.665 1.00 0.00 C ATOM 736 C ALA A 53 3.969 -10.854 2.446 1.00 0.00 C ATOM 737 O ALA A 53 4.389 -11.057 1.308 1.00 0.00 O ATOM 738 CB ALA A 53 2.774 -8.614 2.584 1.00 0.00 C ATOM 0 H ALA A 53 2.497 -9.996 4.751 1.00 0.00 H new ATOM 0 HA ALA A 53 1.960 -10.445 1.868 1.00 0.00 H new ATOM 0 HB1 ALA A 53 3.178 -8.337 1.610 1.00 0.00 H new ATOM 0 HB2 ALA A 53 1.795 -8.152 2.716 1.00 0.00 H new ATOM 0 HB3 ALA A 53 3.447 -8.267 3.368 1.00 0.00 H new ATOM 744 N ASP A 54 4.596 -11.220 3.555 1.00 0.00 N ATOM 745 CA ASP A 54 5.872 -11.912 3.499 1.00 0.00 C ATOM 746 C ASP A 54 6.989 -10.894 3.257 1.00 0.00 C ATOM 747 O ASP A 54 7.883 -11.129 2.446 1.00 0.00 O ATOM 748 CB ASP A 54 5.900 -12.924 2.352 1.00 0.00 C ATOM 749 CG ASP A 54 6.588 -14.252 2.678 1.00 0.00 C ATOM 750 OD1 ASP A 54 6.001 -15.014 3.476 1.00 0.00 O ATOM 751 OD2 ASP A 54 7.685 -14.474 2.123 1.00 0.00 O ATOM 0 H ASP A 54 4.244 -11.050 4.497 1.00 0.00 H new ATOM 0 HA ASP A 54 6.014 -12.434 4.445 1.00 0.00 H new ATOM 0 HB2 ASP A 54 4.875 -13.129 2.043 1.00 0.00 H new ATOM 0 HB3 ASP A 54 6.405 -12.470 1.499 1.00 0.00 H new ATOM 756 N ASP A 55 6.901 -9.785 3.977 1.00 0.00 N ATOM 757 CA ASP A 55 7.892 -8.730 3.851 1.00 0.00 C ATOM 758 C ASP A 55 7.891 -8.203 2.415 1.00 0.00 C ATOM 759 O ASP A 55 8.940 -7.845 1.880 1.00 0.00 O ATOM 760 CB ASP A 55 9.296 -9.254 4.161 1.00 0.00 C ATOM 761 CG ASP A 55 10.420 -8.229 3.998 1.00 0.00 C ATOM 762 OD1 ASP A 55 10.605 -7.435 4.946 1.00 0.00 O ATOM 763 OD2 ASP A 55 11.068 -8.263 2.931 1.00 0.00 O ATOM 0 H ASP A 55 6.158 -9.594 4.650 1.00 0.00 H new ATOM 0 HA ASP A 55 7.636 -7.941 4.559 1.00 0.00 H new ATOM 0 HB2 ASP A 55 9.310 -9.627 5.185 1.00 0.00 H new ATOM 0 HB3 ASP A 55 9.502 -10.103 3.510 1.00 0.00 H new ATOM 768 N ASP A 56 6.702 -8.172 1.831 1.00 0.00 N ATOM 769 CA ASP A 56 6.551 -7.695 0.467 1.00 0.00 C ATOM 770 C ASP A 56 5.711 -6.416 0.469 1.00 0.00 C ATOM 771 O ASP A 56 4.514 -6.456 0.749 1.00 0.00 O ATOM 772 CB ASP A 56 5.834 -8.730 -0.402 1.00 0.00 C ATOM 773 CG ASP A 56 6.549 -9.086 -1.707 1.00 0.00 C ATOM 774 OD1 ASP A 56 6.878 -8.138 -2.451 1.00 0.00 O ATOM 775 OD2 ASP A 56 6.752 -10.300 -1.930 1.00 0.00 O ATOM 0 H ASP A 56 5.834 -8.469 2.278 1.00 0.00 H new ATOM 0 HA ASP A 56 7.546 -7.511 0.062 1.00 0.00 H new ATOM 0 HB2 ASP A 56 5.699 -9.641 0.181 1.00 0.00 H new ATOM 0 HB3 ASP A 56 4.839 -8.355 -0.641 1.00 0.00 H new ATOM 780 N LEU A 57 6.372 -5.312 0.153 1.00 0.00 N ATOM 781 CA LEU A 57 5.701 -4.024 0.115 1.00 0.00 C ATOM 782 C LEU A 57 4.622 -4.047 -0.969 1.00 0.00 C ATOM 783 O LEU A 57 3.484 -3.649 -0.726 1.00 0.00 O ATOM 784 CB LEU A 57 6.719 -2.894 -0.055 1.00 0.00 C ATOM 785 CG LEU A 57 6.861 -1.936 1.129 1.00 0.00 C ATOM 786 CD1 LEU A 57 7.858 -0.819 0.813 1.00 0.00 C ATOM 787 CD2 LEU A 57 5.499 -1.385 1.555 1.00 0.00 C ATOM 0 H LEU A 57 7.365 -5.283 -0.079 1.00 0.00 H new ATOM 0 HA LEU A 57 5.198 -3.829 1.062 1.00 0.00 H new ATOM 0 HB2 LEU A 57 7.694 -3.337 -0.257 1.00 0.00 H new ATOM 0 HB3 LEU A 57 6.444 -2.313 -0.936 1.00 0.00 H new ATOM 0 HG LEU A 57 7.261 -2.495 1.975 1.00 0.00 H new ATOM 0 HD11 LEU A 57 7.941 -0.152 1.671 1.00 0.00 H new ATOM 0 HD12 LEU A 57 8.834 -1.253 0.596 1.00 0.00 H new ATOM 0 HD13 LEU A 57 7.511 -0.255 -0.053 1.00 0.00 H new ATOM 0 HD21 LEU A 57 5.629 -0.707 2.398 1.00 0.00 H new ATOM 0 HD22 LEU A 57 5.048 -0.846 0.722 1.00 0.00 H new ATOM 0 HD23 LEU A 57 4.849 -2.209 1.849 1.00 0.00 H new ATOM 799 N THR A 58 5.018 -4.518 -2.143 1.00 0.00 N ATOM 800 CA THR A 58 4.099 -4.598 -3.266 1.00 0.00 C ATOM 801 C THR A 58 2.782 -5.245 -2.832 1.00 0.00 C ATOM 802 O THR A 58 1.706 -4.710 -3.095 1.00 0.00 O ATOM 803 CB THR A 58 4.801 -5.350 -4.398 1.00 0.00 C ATOM 804 OG1 THR A 58 5.651 -4.371 -4.990 1.00 0.00 O ATOM 805 CG2 THR A 58 3.841 -5.740 -5.525 1.00 0.00 C ATOM 0 H THR A 58 5.963 -4.848 -2.341 1.00 0.00 H new ATOM 0 HA THR A 58 3.833 -3.606 -3.631 1.00 0.00 H new ATOM 0 HB THR A 58 5.276 -6.246 -3.999 1.00 0.00 H new ATOM 0 HG1 THR A 58 6.146 -4.774 -5.733 1.00 0.00 H new ATOM 0 HG21 THR A 58 4.390 -6.271 -6.303 1.00 0.00 H new ATOM 0 HG22 THR A 58 3.057 -6.386 -5.128 1.00 0.00 H new ATOM 0 HG23 THR A 58 3.391 -4.841 -5.947 1.00 0.00 H new ATOM 813 N VAL A 59 2.910 -6.388 -2.174 1.00 0.00 N ATOM 814 CA VAL A 59 1.744 -7.114 -1.700 1.00 0.00 C ATOM 815 C VAL A 59 1.141 -6.377 -0.503 1.00 0.00 C ATOM 816 O VAL A 59 -0.053 -6.082 -0.488 1.00 0.00 O ATOM 817 CB VAL A 59 2.122 -8.562 -1.382 1.00 0.00 C ATOM 818 CG1 VAL A 59 0.885 -9.384 -1.016 1.00 0.00 C ATOM 819 CG2 VAL A 59 2.879 -9.200 -2.549 1.00 0.00 C ATOM 0 H VAL A 59 3.804 -6.829 -1.958 1.00 0.00 H new ATOM 0 HA VAL A 59 0.979 -7.155 -2.475 1.00 0.00 H new ATOM 0 HB VAL A 59 2.786 -8.553 -0.517 1.00 0.00 H new ATOM 0 HG11 VAL A 59 1.182 -10.409 -0.795 1.00 0.00 H new ATOM 0 HG12 VAL A 59 0.405 -8.948 -0.140 1.00 0.00 H new ATOM 0 HG13 VAL A 59 0.186 -9.381 -1.852 1.00 0.00 H new ATOM 0 HG21 VAL A 59 3.136 -10.229 -2.297 1.00 0.00 H new ATOM 0 HG22 VAL A 59 2.250 -9.191 -3.439 1.00 0.00 H new ATOM 0 HG23 VAL A 59 3.791 -8.636 -2.743 1.00 0.00 H new ATOM 829 N ALA A 60 1.994 -6.101 0.472 1.00 0.00 N ATOM 830 CA ALA A 60 1.560 -5.404 1.671 1.00 0.00 C ATOM 831 C ALA A 60 0.686 -4.212 1.275 1.00 0.00 C ATOM 832 O ALA A 60 -0.460 -4.108 1.707 1.00 0.00 O ATOM 833 CB ALA A 60 2.784 -4.983 2.488 1.00 0.00 C ATOM 0 H ALA A 60 2.984 -6.347 0.456 1.00 0.00 H new ATOM 0 HA ALA A 60 0.958 -6.060 2.299 1.00 0.00 H new ATOM 0 HB1 ALA A 60 2.459 -4.460 3.387 1.00 0.00 H new ATOM 0 HB2 ALA A 60 3.356 -5.868 2.769 1.00 0.00 H new ATOM 0 HB3 ALA A 60 3.410 -4.321 1.890 1.00 0.00 H new ATOM 839 N VAL A 61 1.262 -3.343 0.457 1.00 0.00 N ATOM 840 CA VAL A 61 0.550 -2.163 -0.003 1.00 0.00 C ATOM 841 C VAL A 61 -0.888 -2.546 -0.358 1.00 0.00 C ATOM 842 O VAL A 61 -1.836 -1.923 0.117 1.00 0.00 O ATOM 843 CB VAL A 61 1.302 -1.518 -1.169 1.00 0.00 C ATOM 844 CG1 VAL A 61 0.550 -0.296 -1.698 1.00 0.00 C ATOM 845 CG2 VAL A 61 2.731 -1.150 -0.763 1.00 0.00 C ATOM 0 H VAL A 61 2.214 -3.433 0.101 1.00 0.00 H new ATOM 0 HA VAL A 61 0.501 -1.415 0.788 1.00 0.00 H new ATOM 0 HB VAL A 61 1.361 -2.249 -1.975 1.00 0.00 H new ATOM 0 HG11 VAL A 61 1.106 0.143 -2.526 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -0.438 -0.599 -2.045 1.00 0.00 H new ATOM 0 HG13 VAL A 61 0.445 0.440 -0.901 1.00 0.00 H new ATOM 0 HG21 VAL A 61 3.244 -0.693 -1.610 1.00 0.00 H new ATOM 0 HG22 VAL A 61 2.703 -0.445 0.068 1.00 0.00 H new ATOM 0 HG23 VAL A 61 3.265 -2.049 -0.457 1.00 0.00 H new ATOM 855 N GLU A 62 -1.005 -3.571 -1.190 1.00 0.00 N ATOM 856 CA GLU A 62 -2.312 -4.045 -1.615 1.00 0.00 C ATOM 857 C GLU A 62 -3.191 -4.338 -0.398 1.00 0.00 C ATOM 858 O GLU A 62 -4.387 -4.050 -0.408 1.00 0.00 O ATOM 859 CB GLU A 62 -2.183 -5.280 -2.509 1.00 0.00 C ATOM 860 CG GLU A 62 -1.407 -4.954 -3.786 1.00 0.00 C ATOM 861 CD GLU A 62 -2.290 -4.209 -4.789 1.00 0.00 C ATOM 862 OE1 GLU A 62 -2.322 -2.962 -4.701 1.00 0.00 O ATOM 863 OE2 GLU A 62 -2.913 -4.903 -5.622 1.00 0.00 O ATOM 0 H GLU A 62 -0.216 -4.086 -1.581 1.00 0.00 H new ATOM 0 HA GLU A 62 -2.789 -3.260 -2.203 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -1.676 -6.076 -1.964 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -3.175 -5.652 -2.767 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -0.536 -4.346 -3.541 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -1.037 -5.875 -4.236 1.00 0.00 H new ATOM 870 N ILE A 63 -2.565 -4.906 0.622 1.00 0.00 N ATOM 871 CA ILE A 63 -3.275 -5.241 1.844 1.00 0.00 C ATOM 872 C ILE A 63 -3.693 -3.953 2.556 1.00 0.00 C ATOM 873 O ILE A 63 -4.850 -3.801 2.944 1.00 0.00 O ATOM 874 CB ILE A 63 -2.435 -6.179 2.713 1.00 0.00 C ATOM 875 CG1 ILE A 63 -2.371 -7.581 2.104 1.00 0.00 C ATOM 876 CG2 ILE A 63 -2.951 -6.202 4.153 1.00 0.00 C ATOM 877 CD1 ILE A 63 -1.190 -8.372 2.669 1.00 0.00 C ATOM 0 H ILE A 63 -1.573 -5.143 0.627 1.00 0.00 H new ATOM 0 HA ILE A 63 -4.188 -5.790 1.615 1.00 0.00 H new ATOM 0 HB ILE A 63 -1.415 -5.795 2.743 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -3.300 -8.113 2.309 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -2.278 -7.507 1.021 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -2.336 -6.876 4.749 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -2.901 -5.198 4.574 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -3.984 -6.548 4.164 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -1.168 -9.365 2.219 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -0.260 -7.850 2.442 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -1.298 -8.466 3.750 1.00 0.00 H new ATOM 889 N LEU A 64 -2.727 -3.058 2.706 1.00 0.00 N ATOM 890 CA LEU A 64 -2.980 -1.788 3.364 1.00 0.00 C ATOM 891 C LEU A 64 -4.142 -1.079 2.666 1.00 0.00 C ATOM 892 O LEU A 64 -5.051 -0.574 3.323 1.00 0.00 O ATOM 893 CB LEU A 64 -1.700 -0.953 3.428 1.00 0.00 C ATOM 894 CG LEU A 64 -0.651 -1.410 4.444 1.00 0.00 C ATOM 895 CD1 LEU A 64 -0.784 -0.634 5.756 1.00 0.00 C ATOM 896 CD2 LEU A 64 -0.722 -2.922 4.663 1.00 0.00 C ATOM 0 H LEU A 64 -1.768 -3.188 2.383 1.00 0.00 H new ATOM 0 HA LEU A 64 -3.280 -1.949 4.399 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -1.242 -0.950 2.439 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -1.973 0.077 3.656 1.00 0.00 H new ATOM 0 HG LEU A 64 0.336 -1.190 4.038 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -0.027 -0.978 6.461 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -0.645 0.430 5.565 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -1.775 -0.800 6.178 1.00 0.00 H new ATOM 0 HD21 LEU A 64 0.034 -3.220 5.389 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -1.710 -3.189 5.037 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -0.540 -3.435 3.719 1.00 0.00 H new ATOM 908 N MET A 65 -4.075 -1.063 1.343 1.00 0.00 N ATOM 909 CA MET A 65 -5.110 -0.425 0.548 1.00 0.00 C ATOM 910 C MET A 65 -6.495 -0.960 0.919 1.00 0.00 C ATOM 911 O MET A 65 -7.404 -0.187 1.215 1.00 0.00 O ATOM 912 CB MET A 65 -4.845 -0.680 -0.937 1.00 0.00 C ATOM 913 CG MET A 65 -3.832 0.323 -1.493 1.00 0.00 C ATOM 914 SD MET A 65 -4.416 0.981 -3.046 1.00 0.00 S ATOM 915 CE MET A 65 -3.691 2.611 -2.984 1.00 0.00 C ATOM 0 H MET A 65 -3.319 -1.482 0.801 1.00 0.00 H new ATOM 0 HA MET A 65 -5.088 0.646 0.751 1.00 0.00 H new ATOM 0 HB2 MET A 65 -4.471 -1.694 -1.074 1.00 0.00 H new ATOM 0 HB3 MET A 65 -5.779 -0.606 -1.495 1.00 0.00 H new ATOM 0 HG2 MET A 65 -3.680 1.133 -0.779 1.00 0.00 H new ATOM 0 HG3 MET A 65 -2.866 -0.163 -1.634 1.00 0.00 H new ATOM 0 HE1 MET A 65 -3.958 3.163 -3.885 1.00 0.00 H new ATOM 0 HE2 MET A 65 -4.065 3.143 -2.109 1.00 0.00 H new ATOM 0 HE3 MET A 65 -2.606 2.525 -2.920 1.00 0.00 H new ATOM 925 N SER A 66 -6.611 -2.279 0.891 1.00 0.00 N ATOM 926 CA SER A 66 -7.869 -2.927 1.220 1.00 0.00 C ATOM 927 C SER A 66 -8.445 -2.328 2.505 1.00 0.00 C ATOM 928 O SER A 66 -9.611 -1.937 2.543 1.00 0.00 O ATOM 929 CB SER A 66 -7.687 -4.438 1.374 1.00 0.00 C ATOM 930 OG SER A 66 -8.924 -5.138 1.273 1.00 0.00 O ATOM 0 H SER A 66 -5.854 -2.917 0.645 1.00 0.00 H new ATOM 0 HA SER A 66 -8.567 -2.755 0.401 1.00 0.00 H new ATOM 0 HB2 SER A 66 -7.002 -4.801 0.608 1.00 0.00 H new ATOM 0 HB3 SER A 66 -7.228 -4.651 2.339 1.00 0.00 H new ATOM 0 HG SER A 66 -8.765 -6.100 1.375 1.00 0.00 H new ATOM 936 N GLN A 67 -7.602 -2.276 3.526 1.00 0.00 N ATOM 937 CA GLN A 67 -8.013 -1.732 4.809 1.00 0.00 C ATOM 938 C GLN A 67 -8.398 -0.258 4.661 1.00 0.00 C ATOM 939 O GLN A 67 -9.501 0.139 5.031 1.00 0.00 O ATOM 940 CB GLN A 67 -6.913 -1.909 5.857 1.00 0.00 C ATOM 941 CG GLN A 67 -6.697 -3.389 6.180 1.00 0.00 C ATOM 942 CD GLN A 67 -5.303 -3.848 5.745 1.00 0.00 C ATOM 943 OE1 GLN A 67 -5.134 -4.854 5.076 1.00 0.00 O ATOM 944 NE2 GLN A 67 -4.319 -3.056 6.161 1.00 0.00 N ATOM 0 H GLN A 67 -6.636 -2.602 3.491 1.00 0.00 H new ATOM 0 HA GLN A 67 -8.888 -2.283 5.153 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -5.983 -1.474 5.491 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -7.181 -1.370 6.766 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -6.820 -3.553 7.251 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -7.455 -3.989 5.676 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -4.531 -2.229 6.718 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -3.352 -3.276 5.923 1.00 0.00 H new ATOM 953 N SER A 68 -7.466 0.513 4.120 1.00 0.00 N ATOM 954 CA SER A 68 -7.693 1.933 3.919 1.00 0.00 C ATOM 955 C SER A 68 -8.306 2.548 5.179 1.00 0.00 C ATOM 956 O SER A 68 -9.523 2.522 5.358 1.00 0.00 O ATOM 957 CB SER A 68 -8.601 2.181 2.713 1.00 0.00 C ATOM 958 OG SER A 68 -7.864 2.603 1.568 1.00 0.00 O ATOM 0 H SER A 68 -6.551 0.180 3.815 1.00 0.00 H new ATOM 0 HA SER A 68 -6.732 2.408 3.720 1.00 0.00 H new ATOM 0 HB2 SER A 68 -9.147 1.268 2.476 1.00 0.00 H new ATOM 0 HB3 SER A 68 -9.342 2.939 2.967 1.00 0.00 H new ATOM 0 HG SER A 68 -7.479 1.821 1.120 1.00 0.00 H new ATOM 964 N GLY A 69 -7.435 3.087 6.020 1.00 0.00 N ATOM 965 CA GLY A 69 -7.876 3.708 7.258 1.00 0.00 C ATOM 966 C GLY A 69 -8.613 2.701 8.143 1.00 0.00 C ATOM 967 O GLY A 69 -8.981 1.620 7.687 1.00 0.00 O ATOM 0 H GLY A 69 -6.426 3.107 5.869 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -7.016 4.109 7.795 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -8.532 4.549 7.034 1.00 0.00 H new ATOM 971 N PRO A 70 -8.813 3.103 9.427 1.00 0.00 N ATOM 972 CA PRO A 70 -9.499 2.249 10.381 1.00 0.00 C ATOM 973 C PRO A 70 -11.006 2.232 10.116 1.00 0.00 C ATOM 974 O PRO A 70 -11.614 1.166 10.035 1.00 0.00 O ATOM 975 CB PRO A 70 -9.143 2.816 11.745 1.00 0.00 C ATOM 976 CG PRO A 70 -8.654 4.233 11.493 1.00 0.00 C ATOM 977 CD PRO A 70 -8.391 4.377 10.003 1.00 0.00 C ATOM 0 HA PRO A 70 -9.193 1.205 10.307 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -10.009 2.814 12.407 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -8.371 2.217 12.228 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -9.399 4.958 11.821 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -7.745 4.430 12.062 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -8.954 5.209 9.580 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -7.337 4.572 9.804 1.00 0.00 H new ATOM 985 N SER A 71 -11.566 3.426 9.988 1.00 0.00 N ATOM 986 CA SER A 71 -12.990 3.562 9.733 1.00 0.00 C ATOM 987 C SER A 71 -13.237 3.763 8.237 1.00 0.00 C ATOM 988 O SER A 71 -13.938 2.972 7.608 1.00 0.00 O ATOM 989 CB SER A 71 -13.583 4.725 10.531 1.00 0.00 C ATOM 990 OG SER A 71 -12.919 5.955 10.255 1.00 0.00 O ATOM 0 H SER A 71 -11.059 4.308 10.056 1.00 0.00 H new ATOM 0 HA SER A 71 -13.485 2.646 10.056 1.00 0.00 H new ATOM 0 HB2 SER A 71 -14.642 4.824 10.295 1.00 0.00 H new ATOM 0 HB3 SER A 71 -13.513 4.506 11.597 1.00 0.00 H new ATOM 0 HG SER A 71 -13.328 6.673 10.782 1.00 0.00 H new ATOM 996 N SER A 72 -12.648 4.827 7.710 1.00 0.00 N ATOM 997 CA SER A 72 -12.796 5.142 6.299 1.00 0.00 C ATOM 998 C SER A 72 -11.469 5.654 5.736 1.00 0.00 C ATOM 999 O SER A 72 -10.595 6.081 6.488 1.00 0.00 O ATOM 1000 CB SER A 72 -13.901 6.177 6.079 1.00 0.00 C ATOM 1001 OG SER A 72 -14.980 5.651 5.312 1.00 0.00 O ATOM 0 H SER A 72 -12.068 5.481 8.235 1.00 0.00 H new ATOM 0 HA SER A 72 -13.079 4.231 5.772 1.00 0.00 H new ATOM 0 HB2 SER A 72 -14.275 6.519 7.044 1.00 0.00 H new ATOM 0 HB3 SER A 72 -13.486 7.048 5.571 1.00 0.00 H new ATOM 0 HG SER A 72 -15.665 6.342 5.195 1.00 0.00 H new ATOM 1007 N GLY A 73 -11.361 5.595 4.417 1.00 0.00 N ATOM 1008 CA GLY A 73 -10.155 6.047 3.744 1.00 0.00 C ATOM 1009 C GLY A 73 -10.346 6.059 2.226 1.00 0.00 C ATOM 1010 O GLY A 73 -11.158 6.822 1.704 1.00 0.00 O ATOM 0 H GLY A 73 -12.089 5.241 3.796 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -9.895 7.048 4.089 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -9.322 5.393 4.004 1.00 0.00 H new TER 1014 GLY A 73