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 Set 1.1: A 45 GLN : amide:sc= -0.515 K(o=-0.51,f=-1.8!) USER MOD Set 1.2: A 68 SER OG : rot 180:sc= 0 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 180:sc= -0.115 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 10 GLN : amide:sc= -0.37 K(o=-0.37,f=-2.9!) USER MOD Single : A 15 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 21 GLN : amide:sc=-0.00164 X(o=-0.0016,f=0) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 23 GLN : amide:sc= -0.0223 K(o=-0.022,f=-1.1) USER MOD Single : A 29 SER OG : rot 180:sc= -0.0429 USER MOD Single : A 32 GLN : amide:sc= -9.12! C(o=-9.1!,f=-22!) USER MOD Single : A 34 GLN : amide:sc= -11.7! C(o=-12!,f=-17!) USER MOD Single : A 35 LYS NZ :NH3+ 155:sc= 0.313 (180deg=-0.02) USER MOD Single : A 39 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 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= -0.0153 X(o=-0.015,f=0) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 62.616 11.681 40.848 1.00 0.00 N ATOM 2 CA GLY A 1 61.767 12.701 40.256 1.00 0.00 C ATOM 3 C GLY A 1 62.593 13.696 39.439 1.00 0.00 C ATOM 4 O GLY A 1 63.531 14.302 39.957 1.00 0.00 O ATOM 0 H1 GLY A 1 62.032 11.019 41.397 1.00 0.00 H new ATOM 0 H2 GLY A 1 63.113 11.163 40.095 1.00 0.00 H new ATOM 0 H3 GLY A 1 63.312 12.131 41.476 1.00 0.00 H new ATOM 0 HA2 GLY A 1 61.020 12.231 39.616 1.00 0.00 H new ATOM 0 HA3 GLY A 1 61.227 13.230 41.041 1.00 0.00 H new ATOM 8 N SER A 2 62.216 13.835 38.177 1.00 0.00 N ATOM 9 CA SER A 2 62.911 14.747 37.284 1.00 0.00 C ATOM 10 C SER A 2 61.949 15.828 36.788 1.00 0.00 C ATOM 11 O SER A 2 60.739 15.724 36.983 1.00 0.00 O ATOM 12 CB SER A 2 63.523 13.997 36.099 1.00 0.00 C ATOM 13 OG SER A 2 64.834 13.519 36.390 1.00 0.00 O ATOM 0 H SER A 2 61.438 13.331 37.751 1.00 0.00 H new ATOM 0 HA SER A 2 63.722 15.218 37.839 1.00 0.00 H new ATOM 0 HB2 SER A 2 62.882 13.157 35.831 1.00 0.00 H new ATOM 0 HB3 SER A 2 63.562 14.657 35.233 1.00 0.00 H new ATOM 0 HG SER A 2 65.190 13.045 35.610 1.00 0.00 H new ATOM 19 N SER A 3 62.523 16.841 36.155 1.00 0.00 N ATOM 20 CA SER A 3 61.731 17.940 35.630 1.00 0.00 C ATOM 21 C SER A 3 61.432 17.708 34.147 1.00 0.00 C ATOM 22 O SER A 3 61.323 18.659 33.376 1.00 0.00 O ATOM 23 CB SER A 3 62.449 19.277 35.823 1.00 0.00 C ATOM 24 OG SER A 3 61.665 20.200 36.575 1.00 0.00 O ATOM 0 H SER A 3 63.527 16.923 35.994 1.00 0.00 H new ATOM 0 HA SER A 3 60.792 17.979 36.182 1.00 0.00 H new ATOM 0 HB2 SER A 3 63.398 19.109 36.332 1.00 0.00 H new ATOM 0 HB3 SER A 3 62.681 19.708 34.849 1.00 0.00 H new ATOM 0 HG SER A 3 62.158 21.040 36.678 1.00 0.00 H new ATOM 30 N GLY A 4 61.308 16.437 33.794 1.00 0.00 N ATOM 31 CA GLY A 4 61.024 16.067 32.417 1.00 0.00 C ATOM 32 C GLY A 4 60.228 14.762 32.353 1.00 0.00 C ATOM 33 O GLY A 4 60.638 13.753 32.925 1.00 0.00 O ATOM 0 H GLY A 4 61.399 15.650 34.437 1.00 0.00 H new ATOM 0 HA2 GLY A 4 60.462 16.864 31.931 1.00 0.00 H new ATOM 0 HA3 GLY A 4 61.958 15.955 31.867 1.00 0.00 H new ATOM 37 N SER A 5 59.106 14.824 31.652 1.00 0.00 N ATOM 38 CA SER A 5 58.250 13.659 31.505 1.00 0.00 C ATOM 39 C SER A 5 57.284 13.863 30.336 1.00 0.00 C ATOM 40 O SER A 5 57.044 14.994 29.915 1.00 0.00 O ATOM 41 CB SER A 5 57.472 13.382 32.794 1.00 0.00 C ATOM 42 OG SER A 5 56.510 12.345 32.623 1.00 0.00 O ATOM 0 H SER A 5 58.769 15.663 31.179 1.00 0.00 H new ATOM 0 HA SER A 5 58.881 12.794 31.300 1.00 0.00 H new ATOM 0 HB2 SER A 5 58.168 13.104 33.585 1.00 0.00 H new ATOM 0 HB3 SER A 5 56.969 14.294 33.117 1.00 0.00 H new ATOM 0 HG SER A 5 56.036 12.196 33.468 1.00 0.00 H new ATOM 48 N SER A 6 56.756 12.752 29.845 1.00 0.00 N ATOM 49 CA SER A 6 55.823 12.794 28.733 1.00 0.00 C ATOM 50 C SER A 6 54.647 11.852 29.000 1.00 0.00 C ATOM 51 O SER A 6 54.810 10.819 29.648 1.00 0.00 O ATOM 52 CB SER A 6 56.513 12.422 27.419 1.00 0.00 C ATOM 53 OG SER A 6 56.828 11.034 27.357 1.00 0.00 O ATOM 0 H SER A 6 56.957 11.816 30.198 1.00 0.00 H new ATOM 0 HA SER A 6 55.450 13.814 28.639 1.00 0.00 H new ATOM 0 HB2 SER A 6 55.866 12.685 26.582 1.00 0.00 H new ATOM 0 HB3 SER A 6 57.427 13.006 27.311 1.00 0.00 H new ATOM 0 HG SER A 6 57.266 10.836 26.503 1.00 0.00 H new ATOM 59 N GLY A 7 53.489 12.241 28.487 1.00 0.00 N ATOM 60 CA GLY A 7 52.287 11.444 28.662 1.00 0.00 C ATOM 61 C GLY A 7 52.233 10.303 27.645 1.00 0.00 C ATOM 62 O GLY A 7 53.240 9.977 27.019 1.00 0.00 O ATOM 0 H GLY A 7 53.358 13.098 27.950 1.00 0.00 H new ATOM 0 HA2 GLY A 7 52.260 11.037 29.673 1.00 0.00 H new ATOM 0 HA3 GLY A 7 51.407 12.077 28.550 1.00 0.00 H new ATOM 66 N SER A 8 51.048 9.726 27.513 1.00 0.00 N ATOM 67 CA SER A 8 50.849 8.628 26.583 1.00 0.00 C ATOM 68 C SER A 8 49.357 8.315 26.452 1.00 0.00 C ATOM 69 O SER A 8 48.732 7.845 27.402 1.00 0.00 O ATOM 70 CB SER A 8 51.615 7.381 27.031 1.00 0.00 C ATOM 71 OG SER A 8 51.587 6.354 26.044 1.00 0.00 O ATOM 0 H SER A 8 50.215 9.999 28.035 1.00 0.00 H new ATOM 0 HA SER A 8 51.237 8.930 25.610 1.00 0.00 H new ATOM 0 HB2 SER A 8 52.649 7.649 27.246 1.00 0.00 H new ATOM 0 HB3 SER A 8 51.184 7.004 27.958 1.00 0.00 H new ATOM 0 HG SER A 8 52.088 5.576 26.367 1.00 0.00 H new ATOM 77 N ARG A 9 48.829 8.590 25.268 1.00 0.00 N ATOM 78 CA ARG A 9 47.422 8.344 25.001 1.00 0.00 C ATOM 79 C ARG A 9 47.201 8.095 23.508 1.00 0.00 C ATOM 80 O ARG A 9 47.385 8.996 22.691 1.00 0.00 O ATOM 81 CB ARG A 9 46.562 9.528 25.447 1.00 0.00 C ATOM 82 CG ARG A 9 46.379 9.532 26.966 1.00 0.00 C ATOM 83 CD ARG A 9 47.252 10.605 27.620 1.00 0.00 C ATOM 84 NE ARG A 9 46.601 11.105 28.852 1.00 0.00 N ATOM 85 CZ ARG A 9 46.858 12.298 29.406 1.00 0.00 C ATOM 86 NH1 ARG A 9 47.753 13.120 28.842 1.00 0.00 N ATOM 87 NH2 ARG A 9 46.219 12.669 30.524 1.00 0.00 N ATOM 0 H ARG A 9 49.350 8.981 24.483 1.00 0.00 H new ATOM 0 HA ARG A 9 47.126 7.461 25.567 1.00 0.00 H new ATOM 0 HB2 ARG A 9 47.029 10.461 25.131 1.00 0.00 H new ATOM 0 HB3 ARG A 9 45.588 9.478 24.960 1.00 0.00 H new ATOM 0 HG2 ARG A 9 45.332 9.712 27.209 1.00 0.00 H new ATOM 0 HG3 ARG A 9 46.636 8.553 27.370 1.00 0.00 H new ATOM 0 HD2 ARG A 9 48.232 10.192 27.858 1.00 0.00 H new ATOM 0 HD3 ARG A 9 47.413 11.428 26.924 1.00 0.00 H new ATOM 0 HE ARG A 9 45.914 10.504 29.308 1.00 0.00 H new ATOM 0 HH11 ARG A 9 48.239 12.838 27.991 1.00 0.00 H new ATOM 0 HH12 ARG A 9 47.948 14.028 29.264 1.00 0.00 H new ATOM 0 HH21 ARG A 9 45.537 12.043 30.953 1.00 0.00 H new ATOM 0 HH22 ARG A 9 46.414 13.577 30.946 1.00 0.00 H new ATOM 101 N GLN A 10 46.810 6.868 23.197 1.00 0.00 N ATOM 102 CA GLN A 10 46.562 6.489 21.816 1.00 0.00 C ATOM 103 C GLN A 10 45.342 5.570 21.729 1.00 0.00 C ATOM 104 O GLN A 10 45.468 4.352 21.844 1.00 0.00 O ATOM 105 CB GLN A 10 47.794 5.824 21.200 1.00 0.00 C ATOM 106 CG GLN A 10 47.955 6.220 19.731 1.00 0.00 C ATOM 107 CD GLN A 10 49.119 7.197 19.552 1.00 0.00 C ATOM 108 OE1 GLN A 10 49.917 7.424 20.446 1.00 0.00 O ATOM 109 NE2 GLN A 10 49.171 7.760 18.348 1.00 0.00 N ATOM 0 H GLN A 10 46.659 6.123 23.877 1.00 0.00 H new ATOM 0 HA GLN A 10 46.354 7.393 21.244 1.00 0.00 H new ATOM 0 HB2 GLN A 10 48.685 6.113 21.758 1.00 0.00 H new ATOM 0 HB3 GLN A 10 47.705 4.741 21.281 1.00 0.00 H new ATOM 0 HG2 GLN A 10 48.127 5.329 19.127 1.00 0.00 H new ATOM 0 HG3 GLN A 10 47.033 6.677 19.370 1.00 0.00 H new ATOM 0 HE21 GLN A 10 48.471 7.525 17.645 1.00 0.00 H new ATOM 0 HE22 GLN A 10 49.911 8.426 18.128 1.00 0.00 H new ATOM 118 N ALA A 11 44.188 6.189 21.528 1.00 0.00 N ATOM 119 CA ALA A 11 42.946 5.442 21.424 1.00 0.00 C ATOM 120 C ALA A 11 42.204 5.867 20.155 1.00 0.00 C ATOM 121 O ALA A 11 42.272 7.027 19.752 1.00 0.00 O ATOM 122 CB ALA A 11 42.112 5.660 22.688 1.00 0.00 C ATOM 0 H ALA A 11 44.087 7.200 21.434 1.00 0.00 H new ATOM 0 HA ALA A 11 43.146 4.373 21.346 1.00 0.00 H new ATOM 0 HB1 ALA A 11 41.180 5.100 22.610 1.00 0.00 H new ATOM 0 HB2 ALA A 11 42.672 5.315 23.557 1.00 0.00 H new ATOM 0 HB3 ALA A 11 41.889 6.721 22.798 1.00 0.00 H new ATOM 128 N PRO A 12 41.495 4.880 19.545 1.00 0.00 N ATOM 129 CA PRO A 12 40.741 5.141 18.331 1.00 0.00 C ATOM 130 C PRO A 12 39.460 5.919 18.637 1.00 0.00 C ATOM 131 O PRO A 12 38.681 5.523 19.502 1.00 0.00 O ATOM 132 CB PRO A 12 40.474 3.769 17.732 1.00 0.00 C ATOM 133 CG PRO A 12 40.680 2.774 18.862 1.00 0.00 C ATOM 134 CD PRO A 12 41.392 3.495 19.994 1.00 0.00 C ATOM 0 HA PRO A 12 41.284 5.771 17.626 1.00 0.00 H new ATOM 0 HB2 PRO A 12 39.460 3.706 17.336 1.00 0.00 H new ATOM 0 HB3 PRO A 12 41.153 3.566 16.904 1.00 0.00 H new ATOM 0 HG2 PRO A 12 39.723 2.380 19.203 1.00 0.00 H new ATOM 0 HG3 PRO A 12 41.271 1.924 18.519 1.00 0.00 H new ATOM 0 HD2 PRO A 12 40.830 3.421 20.925 1.00 0.00 H new ATOM 0 HD3 PRO A 12 42.376 3.065 20.180 1.00 0.00 H new ATOM 142 N ILE A 13 39.283 7.013 17.910 1.00 0.00 N ATOM 143 CA ILE A 13 38.110 7.851 18.093 1.00 0.00 C ATOM 144 C ILE A 13 37.179 7.687 16.890 1.00 0.00 C ATOM 145 O ILE A 13 37.634 7.400 15.784 1.00 0.00 O ATOM 146 CB ILE A 13 38.522 9.300 18.360 1.00 0.00 C ATOM 147 CG1 ILE A 13 39.274 9.884 17.162 1.00 0.00 C ATOM 148 CG2 ILE A 13 39.330 9.411 19.654 1.00 0.00 C ATOM 149 CD1 ILE A 13 38.589 11.152 16.650 1.00 0.00 C ATOM 0 H ILE A 13 39.932 7.338 17.193 1.00 0.00 H new ATOM 0 HA ILE A 13 37.551 7.537 18.974 1.00 0.00 H new ATOM 0 HB ILE A 13 37.618 9.894 18.494 1.00 0.00 H new ATOM 0 HG12 ILE A 13 40.301 10.111 17.448 1.00 0.00 H new ATOM 0 HG13 ILE A 13 39.322 9.144 16.363 1.00 0.00 H new ATOM 0 HG21 ILE A 13 39.610 10.451 19.820 1.00 0.00 H new ATOM 0 HG22 ILE A 13 38.727 9.060 20.491 1.00 0.00 H new ATOM 0 HG23 ILE A 13 40.230 8.801 19.574 1.00 0.00 H new ATOM 0 HD11 ILE A 13 39.144 11.547 15.799 1.00 0.00 H new ATOM 0 HD12 ILE A 13 37.570 10.916 16.342 1.00 0.00 H new ATOM 0 HD13 ILE A 13 38.564 11.898 17.444 1.00 0.00 H new ATOM 161 N ALA A 14 35.893 7.877 17.147 1.00 0.00 N ATOM 162 CA ALA A 14 34.895 7.755 16.098 1.00 0.00 C ATOM 163 C ALA A 14 34.931 6.335 15.528 1.00 0.00 C ATOM 164 O ALA A 14 35.878 5.964 14.837 1.00 0.00 O ATOM 165 CB ALA A 14 35.144 8.819 15.028 1.00 0.00 C ATOM 0 H ALA A 14 35.519 8.114 18.066 1.00 0.00 H new ATOM 0 HA ALA A 14 33.896 7.925 16.499 1.00 0.00 H new ATOM 0 HB1 ALA A 14 34.395 8.727 14.242 1.00 0.00 H new ATOM 0 HB2 ALA A 14 35.078 9.810 15.478 1.00 0.00 H new ATOM 0 HB3 ALA A 14 36.137 8.680 14.601 1.00 0.00 H new ATOM 171 N ASN A 15 33.888 5.580 15.840 1.00 0.00 N ATOM 172 CA ASN A 15 33.789 4.209 15.368 1.00 0.00 C ATOM 173 C ASN A 15 32.701 4.121 14.296 1.00 0.00 C ATOM 174 O ASN A 15 31.765 4.920 14.289 1.00 0.00 O ATOM 175 CB ASN A 15 33.410 3.260 16.506 1.00 0.00 C ATOM 176 CG ASN A 15 34.651 2.587 17.095 1.00 0.00 C ATOM 177 OD1 ASN A 15 35.088 2.885 18.194 1.00 0.00 O ATOM 178 ND2 ASN A 15 35.191 1.664 16.305 1.00 0.00 N ATOM 0 H ASN A 15 33.104 5.891 16.414 1.00 0.00 H new ATOM 0 HA ASN A 15 34.760 3.920 14.967 1.00 0.00 H new ATOM 0 HB2 ASN A 15 32.887 3.813 17.286 1.00 0.00 H new ATOM 0 HB3 ASN A 15 32.721 2.501 16.137 1.00 0.00 H new ATOM 0 HD21 ASN A 15 36.022 1.156 16.608 1.00 0.00 H new ATOM 0 HD22 ASN A 15 34.774 1.464 15.396 1.00 0.00 H new ATOM 185 N ALA A 16 32.859 3.143 13.416 1.00 0.00 N ATOM 186 CA ALA A 16 31.901 2.940 12.342 1.00 0.00 C ATOM 187 C ALA A 16 30.822 1.960 12.806 1.00 0.00 C ATOM 188 O ALA A 16 31.104 1.035 13.566 1.00 0.00 O ATOM 189 CB ALA A 16 32.633 2.452 11.091 1.00 0.00 C ATOM 0 H ALA A 16 33.636 2.482 13.425 1.00 0.00 H new ATOM 0 HA ALA A 16 31.407 3.877 12.086 1.00 0.00 H new ATOM 0 HB1 ALA A 16 31.915 2.300 10.285 1.00 0.00 H new ATOM 0 HB2 ALA A 16 33.368 3.197 10.786 1.00 0.00 H new ATOM 0 HB3 ALA A 16 33.139 1.511 11.309 1.00 0.00 H new ATOM 195 N ALA A 17 29.609 2.197 12.329 1.00 0.00 N ATOM 196 CA ALA A 17 28.486 1.346 12.685 1.00 0.00 C ATOM 197 C ALA A 17 28.332 0.245 11.633 1.00 0.00 C ATOM 198 O ALA A 17 28.799 0.390 10.505 1.00 0.00 O ATOM 199 CB ALA A 17 27.223 2.199 12.825 1.00 0.00 C ATOM 0 H ALA A 17 29.379 2.966 11.699 1.00 0.00 H new ATOM 0 HA ALA A 17 28.661 0.862 13.646 1.00 0.00 H new ATOM 0 HB1 ALA A 17 26.381 1.561 13.092 1.00 0.00 H new ATOM 0 HB2 ALA A 17 27.373 2.946 13.604 1.00 0.00 H new ATOM 0 HB3 ALA A 17 27.014 2.698 11.879 1.00 0.00 H new ATOM 205 N VAL A 18 27.675 -0.831 12.041 1.00 0.00 N ATOM 206 CA VAL A 18 27.454 -1.955 11.148 1.00 0.00 C ATOM 207 C VAL A 18 26.119 -2.619 11.492 1.00 0.00 C ATOM 208 O VAL A 18 25.932 -3.106 12.606 1.00 0.00 O ATOM 209 CB VAL A 18 28.638 -2.922 11.220 1.00 0.00 C ATOM 210 CG1 VAL A 18 28.703 -3.607 12.587 1.00 0.00 C ATOM 211 CG2 VAL A 18 28.573 -3.953 10.092 1.00 0.00 C ATOM 0 H VAL A 18 27.289 -0.948 12.978 1.00 0.00 H new ATOM 0 HA VAL A 18 27.392 -1.615 10.114 1.00 0.00 H new ATOM 0 HB VAL A 18 29.553 -2.343 11.091 1.00 0.00 H new ATOM 0 HG11 VAL A 18 29.553 -4.289 12.612 1.00 0.00 H new ATOM 0 HG12 VAL A 18 28.819 -2.854 13.366 1.00 0.00 H new ATOM 0 HG13 VAL A 18 27.783 -4.167 12.757 1.00 0.00 H new ATOM 0 HG21 VAL A 18 29.426 -4.628 10.166 1.00 0.00 H new ATOM 0 HG22 VAL A 18 27.649 -4.525 10.175 1.00 0.00 H new ATOM 0 HG23 VAL A 18 28.598 -3.442 9.130 1.00 0.00 H new ATOM 221 N LEU A 19 25.224 -2.617 10.515 1.00 0.00 N ATOM 222 CA LEU A 19 23.912 -3.213 10.700 1.00 0.00 C ATOM 223 C LEU A 19 23.878 -4.584 10.022 1.00 0.00 C ATOM 224 O LEU A 19 24.523 -4.788 8.994 1.00 0.00 O ATOM 225 CB LEU A 19 22.817 -2.260 10.215 1.00 0.00 C ATOM 226 CG LEU A 19 22.458 -1.113 11.161 1.00 0.00 C ATOM 227 CD1 LEU A 19 22.193 0.178 10.383 1.00 0.00 C ATOM 228 CD2 LEU A 19 21.281 -1.492 12.061 1.00 0.00 C ATOM 0 H LEU A 19 25.382 -2.212 9.592 1.00 0.00 H new ATOM 0 HA LEU A 19 23.715 -3.376 11.759 1.00 0.00 H new ATOM 0 HB2 LEU A 19 23.130 -1.834 9.262 1.00 0.00 H new ATOM 0 HB3 LEU A 19 21.916 -2.842 10.023 1.00 0.00 H new ATOM 0 HG LEU A 19 23.313 -0.927 11.811 1.00 0.00 H new ATOM 0 HD11 LEU A 19 21.940 0.977 11.080 1.00 0.00 H new ATOM 0 HD12 LEU A 19 23.086 0.455 9.822 1.00 0.00 H new ATOM 0 HD13 LEU A 19 21.364 0.023 9.692 1.00 0.00 H new ATOM 0 HD21 LEU A 19 21.047 -0.659 12.724 1.00 0.00 H new ATOM 0 HD22 LEU A 19 20.411 -1.722 11.445 1.00 0.00 H new ATOM 0 HD23 LEU A 19 21.545 -2.366 12.657 1.00 0.00 H new ATOM 240 N PRO A 20 23.101 -5.512 10.641 1.00 0.00 N ATOM 241 CA PRO A 20 22.975 -6.858 10.108 1.00 0.00 C ATOM 242 C PRO A 20 22.074 -6.876 8.871 1.00 0.00 C ATOM 243 O PRO A 20 21.610 -5.830 8.421 1.00 0.00 O ATOM 244 CB PRO A 20 22.423 -7.686 11.257 1.00 0.00 C ATOM 245 CG PRO A 20 21.826 -6.691 12.238 1.00 0.00 C ATOM 246 CD PRO A 20 22.323 -5.306 11.859 1.00 0.00 C ATOM 0 HA PRO A 20 23.926 -7.264 9.763 1.00 0.00 H new ATOM 0 HB2 PRO A 20 21.668 -8.388 10.905 1.00 0.00 H new ATOM 0 HB3 PRO A 20 23.210 -8.274 11.728 1.00 0.00 H new ATOM 0 HG2 PRO A 20 20.737 -6.728 12.204 1.00 0.00 H new ATOM 0 HG3 PRO A 20 22.122 -6.937 13.258 1.00 0.00 H new ATOM 0 HD2 PRO A 20 21.493 -4.621 11.688 1.00 0.00 H new ATOM 0 HD3 PRO A 20 22.935 -4.874 12.651 1.00 0.00 H new ATOM 254 N GLN A 21 21.853 -8.077 8.357 1.00 0.00 N ATOM 255 CA GLN A 21 21.015 -8.246 7.182 1.00 0.00 C ATOM 256 C GLN A 21 20.989 -9.715 6.755 1.00 0.00 C ATOM 257 O GLN A 21 21.812 -10.145 5.948 1.00 0.00 O ATOM 258 CB GLN A 21 21.492 -7.350 6.037 1.00 0.00 C ATOM 259 CG GLN A 21 20.429 -6.310 5.676 1.00 0.00 C ATOM 260 CD GLN A 21 19.606 -6.763 4.468 1.00 0.00 C ATOM 261 OE1 GLN A 21 18.820 -7.694 4.534 1.00 0.00 O ATOM 262 NE2 GLN A 21 19.829 -6.054 3.365 1.00 0.00 N ATOM 0 H GLN A 21 22.240 -8.943 8.733 1.00 0.00 H new ATOM 0 HA GLN A 21 19.999 -7.945 7.437 1.00 0.00 H new ATOM 0 HB2 GLN A 21 22.415 -6.847 6.324 1.00 0.00 H new ATOM 0 HB3 GLN A 21 21.720 -7.961 5.163 1.00 0.00 H new ATOM 0 HG2 GLN A 21 19.770 -6.147 6.529 1.00 0.00 H new ATOM 0 HG3 GLN A 21 20.908 -5.356 5.457 1.00 0.00 H new ATOM 0 HE21 GLN A 21 20.501 -5.287 3.379 1.00 0.00 H new ATOM 0 HE22 GLN A 21 19.328 -6.277 2.505 1.00 0.00 H new ATOM 271 N SER A 22 20.035 -10.444 7.315 1.00 0.00 N ATOM 272 CA SER A 22 19.891 -11.855 7.002 1.00 0.00 C ATOM 273 C SER A 22 18.580 -12.389 7.583 1.00 0.00 C ATOM 274 O SER A 22 17.911 -11.699 8.351 1.00 0.00 O ATOM 275 CB SER A 22 21.076 -12.662 7.537 1.00 0.00 C ATOM 276 OG SER A 22 21.196 -13.927 6.892 1.00 0.00 O ATOM 0 H SER A 22 19.354 -10.084 7.984 1.00 0.00 H new ATOM 0 HA SER A 22 19.872 -11.964 5.918 1.00 0.00 H new ATOM 0 HB2 SER A 22 21.995 -12.094 7.394 1.00 0.00 H new ATOM 0 HB3 SER A 22 20.957 -12.812 8.610 1.00 0.00 H new ATOM 0 HG SER A 22 21.965 -14.410 7.260 1.00 0.00 H new ATOM 282 N GLN A 23 18.252 -13.612 7.194 1.00 0.00 N ATOM 283 CA GLN A 23 17.033 -14.246 7.667 1.00 0.00 C ATOM 284 C GLN A 23 17.147 -14.570 9.158 1.00 0.00 C ATOM 285 O GLN A 23 17.601 -15.652 9.528 1.00 0.00 O ATOM 286 CB GLN A 23 16.719 -15.504 6.854 1.00 0.00 C ATOM 287 CG GLN A 23 15.453 -15.314 6.017 1.00 0.00 C ATOM 288 CD GLN A 23 15.800 -14.920 4.580 1.00 0.00 C ATOM 289 OE1 GLN A 23 16.859 -14.386 4.294 1.00 0.00 O ATOM 290 NE2 GLN A 23 14.851 -15.211 3.695 1.00 0.00 N ATOM 0 H GLN A 23 18.809 -14.181 6.557 1.00 0.00 H new ATOM 0 HA GLN A 23 16.207 -13.549 7.530 1.00 0.00 H new ATOM 0 HB2 GLN A 23 17.559 -15.738 6.201 1.00 0.00 H new ATOM 0 HB3 GLN A 23 16.591 -16.353 7.526 1.00 0.00 H new ATOM 0 HG2 GLN A 23 14.872 -16.236 6.015 1.00 0.00 H new ATOM 0 HG3 GLN A 23 14.827 -14.544 6.468 1.00 0.00 H new ATOM 0 HE21 GLN A 23 13.987 -15.659 4.002 1.00 0.00 H new ATOM 0 HE22 GLN A 23 14.987 -14.987 2.709 1.00 0.00 H new ATOM 299 N GLY A 24 16.728 -13.613 9.972 1.00 0.00 N ATOM 300 CA GLY A 24 16.777 -13.783 11.414 1.00 0.00 C ATOM 301 C GLY A 24 15.784 -12.851 12.111 1.00 0.00 C ATOM 302 O GLY A 24 14.828 -13.310 12.733 1.00 0.00 O ATOM 0 H GLY A 24 16.353 -12.717 9.661 1.00 0.00 H new ATOM 0 HA2 GLY A 24 16.550 -14.818 11.669 1.00 0.00 H new ATOM 0 HA3 GLY A 24 17.786 -13.580 11.773 1.00 0.00 H new ATOM 306 N ARG A 25 16.045 -11.558 11.982 1.00 0.00 N ATOM 307 CA ARG A 25 15.186 -10.557 12.592 1.00 0.00 C ATOM 308 C ARG A 25 13.779 -10.632 11.996 1.00 0.00 C ATOM 309 O ARG A 25 13.577 -11.239 10.945 1.00 0.00 O ATOM 310 CB ARG A 25 15.747 -9.149 12.383 1.00 0.00 C ATOM 311 CG ARG A 25 15.741 -8.357 13.692 1.00 0.00 C ATOM 312 CD ARG A 25 14.983 -7.038 13.530 1.00 0.00 C ATOM 313 NE ARG A 25 15.802 -5.917 14.043 1.00 0.00 N ATOM 314 CZ ARG A 25 15.328 -4.686 14.277 1.00 0.00 C ATOM 315 NH1 ARG A 25 14.037 -4.409 14.046 1.00 0.00 N ATOM 316 NH2 ARG A 25 16.144 -3.730 14.743 1.00 0.00 N ATOM 0 H ARG A 25 16.839 -11.181 11.464 1.00 0.00 H new ATOM 0 HA ARG A 25 15.143 -10.763 13.661 1.00 0.00 H new ATOM 0 HB2 ARG A 25 16.764 -9.213 11.997 1.00 0.00 H new ATOM 0 HB3 ARG A 25 15.154 -8.625 11.634 1.00 0.00 H new ATOM 0 HG2 ARG A 25 15.279 -8.952 14.479 1.00 0.00 H new ATOM 0 HG3 ARG A 25 16.766 -8.156 14.004 1.00 0.00 H new ATOM 0 HD2 ARG A 25 14.744 -6.873 12.479 1.00 0.00 H new ATOM 0 HD3 ARG A 25 14.037 -7.084 14.069 1.00 0.00 H new ATOM 0 HE ARG A 25 16.789 -6.093 14.230 1.00 0.00 H new ATOM 0 HH11 ARG A 25 13.415 -5.136 13.692 1.00 0.00 H new ATOM 0 HH12 ARG A 25 13.677 -3.472 14.224 1.00 0.00 H new ATOM 0 HH21 ARG A 25 17.126 -3.940 14.920 1.00 0.00 H new ATOM 0 HH22 ARG A 25 15.782 -2.793 14.921 1.00 0.00 H new ATOM 330 N VAL A 26 12.842 -10.005 12.692 1.00 0.00 N ATOM 331 CA VAL A 26 11.460 -9.993 12.245 1.00 0.00 C ATOM 332 C VAL A 26 11.380 -9.336 10.866 1.00 0.00 C ATOM 333 O VAL A 26 12.250 -8.547 10.499 1.00 0.00 O ATOM 334 CB VAL A 26 10.579 -9.302 13.288 1.00 0.00 C ATOM 335 CG1 VAL A 26 11.152 -7.936 13.672 1.00 0.00 C ATOM 336 CG2 VAL A 26 9.138 -9.171 12.788 1.00 0.00 C ATOM 0 H VAL A 26 13.013 -9.502 13.562 1.00 0.00 H new ATOM 0 HA VAL A 26 11.083 -11.011 12.143 1.00 0.00 H new ATOM 0 HB VAL A 26 10.568 -9.924 14.183 1.00 0.00 H new ATOM 0 HG11 VAL A 26 10.507 -7.466 14.414 1.00 0.00 H new ATOM 0 HG12 VAL A 26 12.151 -8.065 14.089 1.00 0.00 H new ATOM 0 HG13 VAL A 26 11.207 -7.303 12.787 1.00 0.00 H new ATOM 0 HG21 VAL A 26 8.533 -8.677 13.548 1.00 0.00 H new ATOM 0 HG22 VAL A 26 9.123 -8.581 11.872 1.00 0.00 H new ATOM 0 HG23 VAL A 26 8.731 -10.162 12.588 1.00 0.00 H new ATOM 346 N ALA A 27 10.330 -9.687 10.138 1.00 0.00 N ATOM 347 CA ALA A 27 10.126 -9.141 8.807 1.00 0.00 C ATOM 348 C ALA A 27 9.662 -7.688 8.922 1.00 0.00 C ATOM 349 O ALA A 27 10.089 -6.966 9.821 1.00 0.00 O ATOM 350 CB ALA A 27 9.126 -10.014 8.045 1.00 0.00 C ATOM 0 H ALA A 27 9.611 -10.343 10.445 1.00 0.00 H new ATOM 0 HA ALA A 27 11.059 -9.145 8.243 1.00 0.00 H new ATOM 0 HB1 ALA A 27 8.973 -9.605 7.046 1.00 0.00 H new ATOM 0 HB2 ALA A 27 9.516 -11.029 7.965 1.00 0.00 H new ATOM 0 HB3 ALA A 27 8.176 -10.031 8.580 1.00 0.00 H new ATOM 356 N ALA A 28 8.794 -7.303 7.998 1.00 0.00 N ATOM 357 CA ALA A 28 8.268 -5.948 7.984 1.00 0.00 C ATOM 358 C ALA A 28 9.412 -4.959 8.210 1.00 0.00 C ATOM 359 O ALA A 28 9.656 -4.533 9.338 1.00 0.00 O ATOM 360 CB ALA A 28 7.167 -5.817 9.038 1.00 0.00 C ATOM 0 H ALA A 28 8.442 -7.905 7.254 1.00 0.00 H new ATOM 0 HA ALA A 28 7.822 -5.720 7.016 1.00 0.00 H new ATOM 0 HB1 ALA A 28 6.772 -4.801 9.028 1.00 0.00 H new ATOM 0 HB2 ALA A 28 6.365 -6.520 8.815 1.00 0.00 H new ATOM 0 HB3 ALA A 28 7.578 -6.036 10.023 1.00 0.00 H new ATOM 366 N SER A 29 10.084 -4.621 7.119 1.00 0.00 N ATOM 367 CA SER A 29 11.197 -3.689 7.184 1.00 0.00 C ATOM 368 C SER A 29 10.681 -2.277 7.469 1.00 0.00 C ATOM 369 O SER A 29 9.734 -1.818 6.833 1.00 0.00 O ATOM 370 CB SER A 29 12.006 -3.706 5.885 1.00 0.00 C ATOM 371 OG SER A 29 12.054 -5.006 5.303 1.00 0.00 O ATOM 0 H SER A 29 9.879 -4.976 6.185 1.00 0.00 H new ATOM 0 HA SER A 29 11.856 -3.999 7.995 1.00 0.00 H new ATOM 0 HB2 SER A 29 11.565 -3.007 5.174 1.00 0.00 H new ATOM 0 HB3 SER A 29 13.020 -3.361 6.085 1.00 0.00 H new ATOM 0 HG SER A 29 12.578 -4.975 4.475 1.00 0.00 H new ATOM 377 N GLU A 30 11.328 -1.627 8.425 1.00 0.00 N ATOM 378 CA GLU A 30 10.947 -0.277 8.803 1.00 0.00 C ATOM 379 C GLU A 30 10.555 0.530 7.563 1.00 0.00 C ATOM 380 O GLU A 30 9.416 0.980 7.447 1.00 0.00 O ATOM 381 CB GLU A 30 12.073 0.415 9.573 1.00 0.00 C ATOM 382 CG GLU A 30 11.775 0.441 11.074 1.00 0.00 C ATOM 383 CD GLU A 30 13.052 0.682 11.882 1.00 0.00 C ATOM 384 OE1 GLU A 30 14.067 0.035 11.546 1.00 0.00 O ATOM 385 OE2 GLU A 30 12.983 1.508 12.818 1.00 0.00 O ATOM 0 H GLU A 30 12.114 -2.011 8.949 1.00 0.00 H new ATOM 0 HA GLU A 30 10.082 -0.336 9.464 1.00 0.00 H new ATOM 0 HB2 GLU A 30 13.014 -0.105 9.394 1.00 0.00 H new ATOM 0 HB3 GLU A 30 12.197 1.434 9.205 1.00 0.00 H new ATOM 0 HG2 GLU A 30 11.050 1.225 11.291 1.00 0.00 H new ATOM 0 HG3 GLU A 30 11.323 -0.504 11.375 1.00 0.00 H new ATOM 392 N GLU A 31 11.519 0.687 6.669 1.00 0.00 N ATOM 393 CA GLU A 31 11.289 1.431 5.442 1.00 0.00 C ATOM 394 C GLU A 31 9.861 1.203 4.943 1.00 0.00 C ATOM 395 O GLU A 31 9.147 2.156 4.634 1.00 0.00 O ATOM 396 CB GLU A 31 12.312 1.051 4.370 1.00 0.00 C ATOM 397 CG GLU A 31 12.891 2.298 3.699 1.00 0.00 C ATOM 398 CD GLU A 31 13.324 1.997 2.263 1.00 0.00 C ATOM 399 OE1 GLU A 31 13.514 0.797 1.967 1.00 0.00 O ATOM 400 OE2 GLU A 31 13.455 2.973 1.493 1.00 0.00 O ATOM 0 H GLU A 31 12.462 0.312 6.769 1.00 0.00 H new ATOM 0 HA GLU A 31 11.413 2.493 5.655 1.00 0.00 H new ATOM 0 HB2 GLU A 31 13.116 0.469 4.820 1.00 0.00 H new ATOM 0 HB3 GLU A 31 11.840 0.416 3.620 1.00 0.00 H new ATOM 0 HG2 GLU A 31 12.146 3.094 3.699 1.00 0.00 H new ATOM 0 HG3 GLU A 31 13.745 2.660 4.272 1.00 0.00 H new ATOM 407 N GLN A 32 9.486 -0.067 4.880 1.00 0.00 N ATOM 408 CA GLN A 32 8.156 -0.433 4.424 1.00 0.00 C ATOM 409 C GLN A 32 7.092 0.268 5.272 1.00 0.00 C ATOM 410 O GLN A 32 6.184 0.901 4.736 1.00 0.00 O ATOM 411 CB GLN A 32 7.965 -1.951 4.451 1.00 0.00 C ATOM 412 CG GLN A 32 8.956 -2.644 3.514 1.00 0.00 C ATOM 413 CD GLN A 32 8.294 -3.814 2.783 1.00 0.00 C ATOM 414 OE1 GLN A 32 7.108 -3.810 2.499 1.00 0.00 O ATOM 415 NE2 GLN A 32 9.125 -4.812 2.496 1.00 0.00 N ATOM 0 H GLN A 32 10.080 -0.855 5.137 1.00 0.00 H new ATOM 0 HA GLN A 32 8.045 -0.104 3.391 1.00 0.00 H new ATOM 0 HB2 GLN A 32 8.101 -2.320 5.468 1.00 0.00 H new ATOM 0 HB3 GLN A 32 6.945 -2.198 4.155 1.00 0.00 H new ATOM 0 HG2 GLN A 32 9.338 -1.926 2.788 1.00 0.00 H new ATOM 0 HG3 GLN A 32 9.811 -3.005 4.086 1.00 0.00 H new ATOM 0 HE21 GLN A 32 10.108 -4.750 2.763 1.00 0.00 H new ATOM 0 HE22 GLN A 32 8.780 -5.639 2.009 1.00 0.00 H new ATOM 424 N ILE A 33 7.240 0.131 6.582 1.00 0.00 N ATOM 425 CA ILE A 33 6.304 0.743 7.509 1.00 0.00 C ATOM 426 C ILE A 33 6.155 2.228 7.171 1.00 0.00 C ATOM 427 O ILE A 33 5.039 2.733 7.055 1.00 0.00 O ATOM 428 CB ILE A 33 6.733 0.482 8.954 1.00 0.00 C ATOM 429 CG1 ILE A 33 6.629 -1.006 9.296 1.00 0.00 C ATOM 430 CG2 ILE A 33 5.935 1.351 9.928 1.00 0.00 C ATOM 431 CD1 ILE A 33 8.004 -1.591 9.622 1.00 0.00 C ATOM 0 H ILE A 33 7.994 -0.395 7.023 1.00 0.00 H new ATOM 0 HA ILE A 33 5.317 0.292 7.407 1.00 0.00 H new ATOM 0 HB ILE A 33 7.781 0.764 9.056 1.00 0.00 H new ATOM 0 HG12 ILE A 33 5.961 -1.141 10.147 1.00 0.00 H new ATOM 0 HG13 ILE A 33 6.190 -1.546 8.457 1.00 0.00 H new ATOM 0 HG21 ILE A 33 6.259 1.146 10.948 1.00 0.00 H new ATOM 0 HG22 ILE A 33 6.103 2.403 9.698 1.00 0.00 H new ATOM 0 HG23 ILE A 33 4.873 1.124 9.832 1.00 0.00 H new ATOM 0 HD11 ILE A 33 7.902 -2.649 9.861 1.00 0.00 H new ATOM 0 HD12 ILE A 33 8.662 -1.476 8.761 1.00 0.00 H new ATOM 0 HD13 ILE A 33 8.430 -1.065 10.477 1.00 0.00 H new ATOM 443 N GLN A 34 7.296 2.885 7.021 1.00 0.00 N ATOM 444 CA GLN A 34 7.306 4.302 6.699 1.00 0.00 C ATOM 445 C GLN A 34 6.765 4.529 5.286 1.00 0.00 C ATOM 446 O GLN A 34 5.842 5.318 5.090 1.00 0.00 O ATOM 447 CB GLN A 34 8.711 4.888 6.848 1.00 0.00 C ATOM 448 CG GLN A 34 9.235 4.700 8.273 1.00 0.00 C ATOM 449 CD GLN A 34 9.972 3.366 8.415 1.00 0.00 C ATOM 450 OE1 GLN A 34 10.935 3.084 7.722 1.00 0.00 O ATOM 451 NE2 GLN A 34 9.466 2.566 9.349 1.00 0.00 N ATOM 0 H GLN A 34 8.219 2.462 7.116 1.00 0.00 H new ATOM 0 HA GLN A 34 6.655 4.819 7.404 1.00 0.00 H new ATOM 0 HB2 GLN A 34 9.387 4.406 6.142 1.00 0.00 H new ATOM 0 HB3 GLN A 34 8.695 5.949 6.600 1.00 0.00 H new ATOM 0 HG2 GLN A 34 9.907 5.520 8.528 1.00 0.00 H new ATOM 0 HG3 GLN A 34 8.404 4.737 8.978 1.00 0.00 H new ATOM 0 HE21 GLN A 34 8.657 2.866 9.893 1.00 0.00 H new ATOM 0 HE22 GLN A 34 9.887 1.653 9.521 1.00 0.00 H new ATOM 460 N LYS A 35 7.362 3.821 4.337 1.00 0.00 N ATOM 461 CA LYS A 35 6.951 3.936 2.948 1.00 0.00 C ATOM 462 C LYS A 35 5.428 3.824 2.860 1.00 0.00 C ATOM 463 O LYS A 35 4.819 4.321 1.914 1.00 0.00 O ATOM 464 CB LYS A 35 7.693 2.914 2.085 1.00 0.00 C ATOM 465 CG LYS A 35 8.835 3.576 1.311 1.00 0.00 C ATOM 466 CD LYS A 35 10.119 2.751 1.415 1.00 0.00 C ATOM 467 CE LYS A 35 10.218 1.743 0.269 1.00 0.00 C ATOM 468 NZ LYS A 35 11.377 2.055 -0.597 1.00 0.00 N ATOM 0 H LYS A 35 8.126 3.166 4.503 1.00 0.00 H new ATOM 0 HA LYS A 35 7.222 4.914 2.550 1.00 0.00 H new ATOM 0 HB2 LYS A 35 8.090 2.119 2.717 1.00 0.00 H new ATOM 0 HB3 LYS A 35 6.997 2.449 1.387 1.00 0.00 H new ATOM 0 HG2 LYS A 35 8.553 3.686 0.264 1.00 0.00 H new ATOM 0 HG3 LYS A 35 9.010 4.579 1.701 1.00 0.00 H new ATOM 0 HD2 LYS A 35 10.984 3.414 1.396 1.00 0.00 H new ATOM 0 HD3 LYS A 35 10.141 2.225 2.369 1.00 0.00 H new ATOM 0 HE2 LYS A 35 10.318 0.735 0.671 1.00 0.00 H new ATOM 0 HE3 LYS A 35 9.301 1.762 -0.320 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 11.691 1.190 -1.082 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 11.101 2.767 -1.303 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 12.155 2.427 -0.015 1.00 0.00 H new ATOM 482 N LEU A 36 4.855 3.169 3.860 1.00 0.00 N ATOM 483 CA LEU A 36 3.415 2.986 3.907 1.00 0.00 C ATOM 484 C LEU A 36 2.798 4.059 4.806 1.00 0.00 C ATOM 485 O LEU A 36 1.862 4.748 4.404 1.00 0.00 O ATOM 486 CB LEU A 36 3.070 1.556 4.331 1.00 0.00 C ATOM 487 CG LEU A 36 3.512 0.448 3.373 1.00 0.00 C ATOM 488 CD1 LEU A 36 3.156 -0.932 3.931 1.00 0.00 C ATOM 489 CD2 LEU A 36 2.931 0.668 1.975 1.00 0.00 C ATOM 0 H LEU A 36 5.363 2.759 4.644 1.00 0.00 H new ATOM 0 HA LEU A 36 2.982 3.113 2.915 1.00 0.00 H new ATOM 0 HB2 LEU A 36 3.521 1.368 5.305 1.00 0.00 H new ATOM 0 HB3 LEU A 36 1.990 1.487 4.461 1.00 0.00 H new ATOM 0 HG LEU A 36 4.597 0.489 3.280 1.00 0.00 H new ATOM 0 HD11 LEU A 36 3.481 -1.702 3.231 1.00 0.00 H new ATOM 0 HD12 LEU A 36 3.656 -1.077 4.888 1.00 0.00 H new ATOM 0 HD13 LEU A 36 2.077 -1.001 4.071 1.00 0.00 H new ATOM 0 HD21 LEU A 36 3.261 -0.133 1.314 1.00 0.00 H new ATOM 0 HD22 LEU A 36 1.842 0.669 2.029 1.00 0.00 H new ATOM 0 HD23 LEU A 36 3.276 1.625 1.584 1.00 0.00 H new ATOM 501 N VAL A 37 3.348 4.168 6.007 1.00 0.00 N ATOM 502 CA VAL A 37 2.864 5.146 6.966 1.00 0.00 C ATOM 503 C VAL A 37 2.866 6.533 6.319 1.00 0.00 C ATOM 504 O VAL A 37 2.009 7.363 6.618 1.00 0.00 O ATOM 505 CB VAL A 37 3.699 5.082 8.246 1.00 0.00 C ATOM 506 CG1 VAL A 37 3.449 6.309 9.125 1.00 0.00 C ATOM 507 CG2 VAL A 37 3.423 3.790 9.016 1.00 0.00 C ATOM 0 H VAL A 37 4.124 3.595 6.337 1.00 0.00 H new ATOM 0 HA VAL A 37 1.836 4.923 7.253 1.00 0.00 H new ATOM 0 HB VAL A 37 4.751 5.083 7.961 1.00 0.00 H new ATOM 0 HG11 VAL A 37 4.055 6.239 10.029 1.00 0.00 H new ATOM 0 HG12 VAL A 37 3.719 7.211 8.576 1.00 0.00 H new ATOM 0 HG13 VAL A 37 2.395 6.353 9.398 1.00 0.00 H new ATOM 0 HG21 VAL A 37 4.029 3.770 9.922 1.00 0.00 H new ATOM 0 HG22 VAL A 37 2.368 3.745 9.285 1.00 0.00 H new ATOM 0 HG23 VAL A 37 3.675 2.933 8.391 1.00 0.00 H new ATOM 517 N ALA A 38 3.839 6.741 5.445 1.00 0.00 N ATOM 518 CA ALA A 38 3.965 8.013 4.753 1.00 0.00 C ATOM 519 C ALA A 38 2.762 8.206 3.827 1.00 0.00 C ATOM 520 O ALA A 38 2.255 9.318 3.686 1.00 0.00 O ATOM 521 CB ALA A 38 5.295 8.055 3.998 1.00 0.00 C ATOM 0 H ALA A 38 4.548 6.050 5.200 1.00 0.00 H new ATOM 0 HA ALA A 38 3.969 8.838 5.465 1.00 0.00 H new ATOM 0 HB1 ALA A 38 5.389 9.009 3.479 1.00 0.00 H new ATOM 0 HB2 ALA A 38 6.118 7.943 4.704 1.00 0.00 H new ATOM 0 HB3 ALA A 38 5.327 7.243 3.272 1.00 0.00 H new ATOM 527 N MET A 39 2.341 7.106 3.220 1.00 0.00 N ATOM 528 CA MET A 39 1.207 7.140 2.312 1.00 0.00 C ATOM 529 C MET A 39 -0.083 7.486 3.058 1.00 0.00 C ATOM 530 O MET A 39 -1.052 7.942 2.452 1.00 0.00 O ATOM 531 CB MET A 39 1.055 5.778 1.633 1.00 0.00 C ATOM 532 CG MET A 39 2.207 5.518 0.660 1.00 0.00 C ATOM 533 SD MET A 39 1.567 5.234 -0.982 1.00 0.00 S ATOM 534 CE MET A 39 1.798 3.468 -1.102 1.00 0.00 C ATOM 0 H MET A 39 2.765 6.186 3.339 1.00 0.00 H new ATOM 0 HA MET A 39 1.389 7.911 1.563 1.00 0.00 H new ATOM 0 HB2 MET A 39 1.028 4.992 2.388 1.00 0.00 H new ATOM 0 HB3 MET A 39 0.106 5.739 1.098 1.00 0.00 H new ATOM 0 HG2 MET A 39 2.887 6.370 0.652 1.00 0.00 H new ATOM 0 HG3 MET A 39 2.784 4.654 0.989 1.00 0.00 H new ATOM 0 HE1 MET A 39 1.448 3.120 -2.074 1.00 0.00 H new ATOM 0 HE2 MET A 39 2.856 3.231 -0.992 1.00 0.00 H new ATOM 0 HE3 MET A 39 1.231 2.973 -0.314 1.00 0.00 H new ATOM 544 N GLY A 40 -0.055 7.255 4.362 1.00 0.00 N ATOM 545 CA GLY A 40 -1.210 7.536 5.198 1.00 0.00 C ATOM 546 C GLY A 40 -1.751 6.255 5.834 1.00 0.00 C ATOM 547 O GLY A 40 -2.957 6.116 6.032 1.00 0.00 O ATOM 0 H GLY A 40 0.750 6.876 4.861 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -0.935 8.245 5.978 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -1.990 8.007 4.600 1.00 0.00 H new ATOM 551 N PHE A 41 -0.832 5.349 6.138 1.00 0.00 N ATOM 552 CA PHE A 41 -1.202 4.084 6.749 1.00 0.00 C ATOM 553 C PHE A 41 -0.728 4.017 8.202 1.00 0.00 C ATOM 554 O PHE A 41 0.145 4.782 8.610 1.00 0.00 O ATOM 555 CB PHE A 41 -0.508 2.981 5.947 1.00 0.00 C ATOM 556 CG PHE A 41 -1.126 2.729 4.570 1.00 0.00 C ATOM 557 CD1 PHE A 41 -2.472 2.580 4.446 1.00 0.00 C ATOM 558 CD2 PHE A 41 -0.329 2.656 3.470 1.00 0.00 C ATOM 559 CE1 PHE A 41 -3.045 2.346 3.168 1.00 0.00 C ATOM 560 CE2 PHE A 41 -0.902 2.423 2.192 1.00 0.00 C ATOM 561 CZ PHE A 41 -2.248 2.273 2.068 1.00 0.00 C ATOM 0 H PHE A 41 0.168 5.466 5.972 1.00 0.00 H new ATOM 0 HA PHE A 41 -2.286 3.971 6.744 1.00 0.00 H new ATOM 0 HB2 PHE A 41 0.542 3.245 5.820 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -0.537 2.055 6.522 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -3.105 2.640 5.319 1.00 0.00 H new ATOM 0 HD2 PHE A 41 0.740 2.775 3.569 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -4.114 2.226 3.069 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -0.269 2.365 1.319 1.00 0.00 H new ATOM 0 HZ PHE A 41 -2.684 2.096 1.096 1.00 0.00 H new ATOM 571 N ASP A 42 -1.324 3.094 8.943 1.00 0.00 N ATOM 572 CA ASP A 42 -0.974 2.918 10.342 1.00 0.00 C ATOM 573 C ASP A 42 0.078 1.814 10.465 1.00 0.00 C ATOM 574 O ASP A 42 -0.092 0.726 9.917 1.00 0.00 O ATOM 575 CB ASP A 42 -2.194 2.501 11.167 1.00 0.00 C ATOM 576 CG ASP A 42 -2.178 2.967 12.624 1.00 0.00 C ATOM 577 OD1 ASP A 42 -1.700 4.099 12.853 1.00 0.00 O ATOM 578 OD2 ASP A 42 -2.646 2.181 13.476 1.00 0.00 O ATOM 0 H ASP A 42 -2.047 2.461 8.601 1.00 0.00 H new ATOM 0 HA ASP A 42 -0.593 3.868 10.716 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -3.090 2.892 10.686 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -2.271 1.414 11.150 1.00 0.00 H new ATOM 583 N ARG A 43 1.142 2.132 11.187 1.00 0.00 N ATOM 584 CA ARG A 43 2.222 1.181 11.388 1.00 0.00 C ATOM 585 C ARG A 43 1.660 -0.230 11.567 1.00 0.00 C ATOM 586 O ARG A 43 2.091 -1.164 10.892 1.00 0.00 O ATOM 587 CB ARG A 43 3.059 1.549 12.615 1.00 0.00 C ATOM 588 CG ARG A 43 4.349 0.728 12.666 1.00 0.00 C ATOM 589 CD ARG A 43 5.516 1.572 13.182 1.00 0.00 C ATOM 590 NE ARG A 43 6.723 0.729 13.333 1.00 0.00 N ATOM 591 CZ ARG A 43 7.915 1.189 13.734 1.00 0.00 C ATOM 592 NH1 ARG A 43 8.068 2.487 14.027 1.00 0.00 N ATOM 593 NH2 ARG A 43 8.955 0.351 13.843 1.00 0.00 N ATOM 0 H ARG A 43 1.279 3.035 11.640 1.00 0.00 H new ATOM 0 HA ARG A 43 2.860 1.212 10.505 1.00 0.00 H new ATOM 0 HB2 ARG A 43 3.301 2.612 12.589 1.00 0.00 H new ATOM 0 HB3 ARG A 43 2.478 1.376 13.521 1.00 0.00 H new ATOM 0 HG2 ARG A 43 4.208 -0.138 13.313 1.00 0.00 H new ATOM 0 HG3 ARG A 43 4.582 0.348 11.671 1.00 0.00 H new ATOM 0 HD2 ARG A 43 5.718 2.390 12.490 1.00 0.00 H new ATOM 0 HD3 ARG A 43 5.255 2.022 14.140 1.00 0.00 H new ATOM 0 HE ARG A 43 6.642 -0.265 13.118 1.00 0.00 H new ATOM 0 HH11 ARG A 43 7.277 3.125 13.945 1.00 0.00 H new ATOM 0 HH12 ARG A 43 8.976 2.837 14.332 1.00 0.00 H new ATOM 0 HH21 ARG A 43 8.839 -0.638 13.620 1.00 0.00 H new ATOM 0 HH22 ARG A 43 9.863 0.702 14.148 1.00 0.00 H new ATOM 607 N THR A 44 0.706 -0.342 12.479 1.00 0.00 N ATOM 608 CA THR A 44 0.080 -1.624 12.755 1.00 0.00 C ATOM 609 C THR A 44 -0.425 -2.261 11.459 1.00 0.00 C ATOM 610 O THR A 44 -0.052 -3.386 11.129 1.00 0.00 O ATOM 611 CB THR A 44 -1.023 -1.398 13.791 1.00 0.00 C ATOM 612 OG1 THR A 44 -0.316 -1.108 14.993 1.00 0.00 O ATOM 613 CG2 THR A 44 -1.795 -2.679 14.113 1.00 0.00 C ATOM 0 H THR A 44 0.351 0.435 13.037 1.00 0.00 H new ATOM 0 HA THR A 44 0.796 -2.333 13.171 1.00 0.00 H new ATOM 0 HB THR A 44 -1.715 -0.639 13.425 1.00 0.00 H new ATOM 0 HG1 THR A 44 -0.956 -0.946 15.718 1.00 0.00 H new ATOM 0 HG21 THR A 44 -2.566 -2.463 14.853 1.00 0.00 H new ATOM 0 HG22 THR A 44 -2.261 -3.061 13.205 1.00 0.00 H new ATOM 0 HG23 THR A 44 -1.109 -3.427 14.511 1.00 0.00 H new ATOM 621 N GLN A 45 -1.265 -1.514 10.758 1.00 0.00 N ATOM 622 CA GLN A 45 -1.825 -1.991 9.505 1.00 0.00 C ATOM 623 C GLN A 45 -0.713 -2.505 8.589 1.00 0.00 C ATOM 624 O GLN A 45 -0.882 -3.516 7.909 1.00 0.00 O ATOM 625 CB GLN A 45 -2.641 -0.895 8.816 1.00 0.00 C ATOM 626 CG GLN A 45 -3.836 -0.479 9.676 1.00 0.00 C ATOM 627 CD GLN A 45 -5.141 -0.573 8.883 1.00 0.00 C ATOM 628 OE1 GLN A 45 -5.904 -1.518 9.003 1.00 0.00 O ATOM 629 NE2 GLN A 45 -5.355 0.457 8.069 1.00 0.00 N ATOM 0 H GLN A 45 -1.572 -0.581 11.034 1.00 0.00 H new ATOM 0 HA GLN A 45 -2.501 -2.818 9.723 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -2.006 -0.029 8.626 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -2.992 -1.252 7.848 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -3.895 -1.118 10.557 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -3.695 0.542 10.032 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -4.675 1.216 8.017 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -6.199 0.488 7.497 1.00 0.00 H new ATOM 638 N VAL A 46 0.399 -1.785 8.600 1.00 0.00 N ATOM 639 CA VAL A 46 1.539 -2.155 7.778 1.00 0.00 C ATOM 640 C VAL A 46 2.136 -3.463 8.302 1.00 0.00 C ATOM 641 O VAL A 46 2.053 -4.496 7.640 1.00 0.00 O ATOM 642 CB VAL A 46 2.551 -1.008 7.739 1.00 0.00 C ATOM 643 CG1 VAL A 46 3.662 -1.291 6.726 1.00 0.00 C ATOM 644 CG2 VAL A 46 1.860 0.323 7.438 1.00 0.00 C ATOM 0 H VAL A 46 0.535 -0.947 9.165 1.00 0.00 H new ATOM 0 HA VAL A 46 1.227 -2.329 6.748 1.00 0.00 H new ATOM 0 HB VAL A 46 3.009 -0.932 8.725 1.00 0.00 H new ATOM 0 HG11 VAL A 46 4.368 -0.460 6.718 1.00 0.00 H new ATOM 0 HG12 VAL A 46 4.183 -2.207 7.004 1.00 0.00 H new ATOM 0 HG13 VAL A 46 3.228 -1.408 5.733 1.00 0.00 H new ATOM 0 HG21 VAL A 46 2.602 1.121 7.416 1.00 0.00 H new ATOM 0 HG22 VAL A 46 1.362 0.264 6.470 1.00 0.00 H new ATOM 0 HG23 VAL A 46 1.123 0.534 8.213 1.00 0.00 H new ATOM 654 N GLU A 47 2.726 -3.374 9.485 1.00 0.00 N ATOM 655 CA GLU A 47 3.337 -4.538 10.105 1.00 0.00 C ATOM 656 C GLU A 47 2.502 -5.789 9.824 1.00 0.00 C ATOM 657 O GLU A 47 3.021 -6.788 9.328 1.00 0.00 O ATOM 658 CB GLU A 47 3.519 -4.325 11.609 1.00 0.00 C ATOM 659 CG GLU A 47 4.601 -3.281 11.889 1.00 0.00 C ATOM 660 CD GLU A 47 5.465 -3.693 13.082 1.00 0.00 C ATOM 661 OE1 GLU A 47 5.056 -3.370 14.218 1.00 0.00 O ATOM 662 OE2 GLU A 47 6.517 -4.322 12.831 1.00 0.00 O ATOM 0 H GLU A 47 2.794 -2.515 10.030 1.00 0.00 H new ATOM 0 HA GLU A 47 4.326 -4.681 9.670 1.00 0.00 H new ATOM 0 HB2 GLU A 47 2.576 -4.004 12.051 1.00 0.00 H new ATOM 0 HB3 GLU A 47 3.788 -5.269 12.083 1.00 0.00 H new ATOM 0 HG2 GLU A 47 5.229 -3.157 11.007 1.00 0.00 H new ATOM 0 HG3 GLU A 47 4.137 -2.315 12.088 1.00 0.00 H new ATOM 669 N VAL A 48 1.223 -5.694 10.155 1.00 0.00 N ATOM 670 CA VAL A 48 0.311 -6.805 9.944 1.00 0.00 C ATOM 671 C VAL A 48 0.423 -7.284 8.496 1.00 0.00 C ATOM 672 O VAL A 48 0.645 -8.468 8.245 1.00 0.00 O ATOM 673 CB VAL A 48 -1.112 -6.396 10.331 1.00 0.00 C ATOM 674 CG1 VAL A 48 -2.131 -7.429 9.845 1.00 0.00 C ATOM 675 CG2 VAL A 48 -1.229 -6.178 11.840 1.00 0.00 C ATOM 0 H VAL A 48 0.796 -4.865 10.568 1.00 0.00 H new ATOM 0 HA VAL A 48 0.578 -7.645 10.585 1.00 0.00 H new ATOM 0 HB VAL A 48 -1.334 -5.449 9.838 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -3.134 -7.114 10.133 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -2.075 -7.513 8.760 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -1.911 -8.397 10.296 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -2.250 -5.888 12.088 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -0.977 -7.101 12.362 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -0.543 -5.389 12.148 1.00 0.00 H new ATOM 685 N ALA A 49 0.264 -6.340 7.580 1.00 0.00 N ATOM 686 CA ALA A 49 0.344 -6.651 6.163 1.00 0.00 C ATOM 687 C ALA A 49 1.687 -7.322 5.867 1.00 0.00 C ATOM 688 O ALA A 49 1.728 -8.469 5.425 1.00 0.00 O ATOM 689 CB ALA A 49 0.139 -5.372 5.347 1.00 0.00 C ATOM 0 H ALA A 49 0.080 -5.359 7.792 1.00 0.00 H new ATOM 0 HA ALA A 49 -0.443 -7.349 5.879 1.00 0.00 H new ATOM 0 HB1 ALA A 49 0.199 -5.605 4.284 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -0.841 -4.950 5.571 1.00 0.00 H new ATOM 0 HB3 ALA A 49 0.913 -4.649 5.604 1.00 0.00 H new ATOM 695 N LEU A 50 2.753 -6.578 6.124 1.00 0.00 N ATOM 696 CA LEU A 50 4.094 -7.086 5.891 1.00 0.00 C ATOM 697 C LEU A 50 4.151 -8.563 6.287 1.00 0.00 C ATOM 698 O LEU A 50 4.857 -9.351 5.660 1.00 0.00 O ATOM 699 CB LEU A 50 5.129 -6.217 6.608 1.00 0.00 C ATOM 700 CG LEU A 50 5.463 -4.882 5.939 1.00 0.00 C ATOM 701 CD1 LEU A 50 6.544 -5.060 4.871 1.00 0.00 C ATOM 702 CD2 LEU A 50 4.204 -4.221 5.375 1.00 0.00 C ATOM 0 H LEU A 50 2.715 -5.627 6.491 1.00 0.00 H new ATOM 0 HA LEU A 50 4.344 -7.029 4.832 1.00 0.00 H new ATOM 0 HB2 LEU A 50 4.769 -6.015 7.617 1.00 0.00 H new ATOM 0 HB3 LEU A 50 6.050 -6.791 6.708 1.00 0.00 H new ATOM 0 HG LEU A 50 5.866 -4.211 6.698 1.00 0.00 H new ATOM 0 HD11 LEU A 50 6.763 -4.096 4.411 1.00 0.00 H new ATOM 0 HD12 LEU A 50 7.449 -5.456 5.332 1.00 0.00 H new ATOM 0 HD13 LEU A 50 6.191 -5.754 4.108 1.00 0.00 H new ATOM 0 HD21 LEU A 50 4.470 -3.274 4.905 1.00 0.00 H new ATOM 0 HD22 LEU A 50 3.749 -4.878 4.634 1.00 0.00 H new ATOM 0 HD23 LEU A 50 3.495 -4.039 6.183 1.00 0.00 H new ATOM 714 N ALA A 51 3.398 -8.893 7.326 1.00 0.00 N ATOM 715 CA ALA A 51 3.354 -10.261 7.813 1.00 0.00 C ATOM 716 C ALA A 51 2.775 -11.167 6.725 1.00 0.00 C ATOM 717 O ALA A 51 3.410 -12.140 6.320 1.00 0.00 O ATOM 718 CB ALA A 51 2.542 -10.316 9.109 1.00 0.00 C ATOM 0 H ALA A 51 2.814 -8.237 7.844 1.00 0.00 H new ATOM 0 HA ALA A 51 4.358 -10.619 8.041 1.00 0.00 H new ATOM 0 HB1 ALA A 51 2.509 -11.342 9.474 1.00 0.00 H new ATOM 0 HB2 ALA A 51 3.010 -9.679 9.859 1.00 0.00 H new ATOM 0 HB3 ALA A 51 1.528 -9.966 8.918 1.00 0.00 H new ATOM 724 N ALA A 52 1.577 -10.816 6.282 1.00 0.00 N ATOM 725 CA ALA A 52 0.906 -11.585 5.248 1.00 0.00 C ATOM 726 C ALA A 52 1.526 -11.255 3.889 1.00 0.00 C ATOM 727 O ALA A 52 1.161 -11.849 2.875 1.00 0.00 O ATOM 728 CB ALA A 52 -0.596 -11.296 5.290 1.00 0.00 C ATOM 0 H ALA A 52 1.053 -10.009 6.620 1.00 0.00 H new ATOM 0 HA ALA A 52 1.037 -12.654 5.419 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -1.099 -11.873 4.514 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -0.993 -11.576 6.266 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -0.767 -10.233 5.120 1.00 0.00 H new ATOM 734 N ALA A 53 2.452 -10.308 3.911 1.00 0.00 N ATOM 735 CA ALA A 53 3.126 -9.891 2.693 1.00 0.00 C ATOM 736 C ALA A 53 4.418 -10.694 2.530 1.00 0.00 C ATOM 737 O ALA A 53 4.847 -10.966 1.410 1.00 0.00 O ATOM 738 CB ALA A 53 3.379 -8.383 2.740 1.00 0.00 C ATOM 0 H ALA A 53 2.752 -9.817 4.753 1.00 0.00 H new ATOM 0 HA ALA A 53 2.502 -10.090 1.822 1.00 0.00 H new ATOM 0 HB1 ALA A 53 3.885 -8.070 1.826 1.00 0.00 H new ATOM 0 HB2 ALA A 53 2.428 -7.857 2.827 1.00 0.00 H new ATOM 0 HB3 ALA A 53 4.005 -8.146 3.600 1.00 0.00 H new ATOM 744 N ASP A 54 5.003 -11.049 3.665 1.00 0.00 N ATOM 745 CA ASP A 54 6.238 -11.815 3.662 1.00 0.00 C ATOM 746 C ASP A 54 7.417 -10.873 3.411 1.00 0.00 C ATOM 747 O ASP A 54 8.355 -11.223 2.696 1.00 0.00 O ATOM 748 CB ASP A 54 6.230 -12.868 2.552 1.00 0.00 C ATOM 749 CG ASP A 54 6.955 -14.172 2.893 1.00 0.00 C ATOM 750 OD1 ASP A 54 7.501 -14.242 4.015 1.00 0.00 O ATOM 751 OD2 ASP A 54 6.947 -15.070 2.023 1.00 0.00 O ATOM 0 H ASP A 54 4.645 -10.820 4.592 1.00 0.00 H new ATOM 0 HA ASP A 54 6.330 -12.310 4.629 1.00 0.00 H new ATOM 0 HB2 ASP A 54 5.195 -13.100 2.300 1.00 0.00 H new ATOM 0 HB3 ASP A 54 6.687 -12.438 1.661 1.00 0.00 H new ATOM 756 N ASP A 55 7.331 -9.696 4.014 1.00 0.00 N ATOM 757 CA ASP A 55 8.379 -8.701 3.865 1.00 0.00 C ATOM 758 C ASP A 55 8.287 -8.073 2.472 1.00 0.00 C ATOM 759 O ASP A 55 9.291 -7.625 1.922 1.00 0.00 O ATOM 760 CB ASP A 55 9.765 -9.335 4.007 1.00 0.00 C ATOM 761 CG ASP A 55 10.888 -8.360 4.365 1.00 0.00 C ATOM 762 OD1 ASP A 55 10.573 -7.159 4.510 1.00 0.00 O ATOM 763 OD2 ASP A 55 12.037 -8.838 4.486 1.00 0.00 O ATOM 0 H ASP A 55 6.552 -9.409 4.607 1.00 0.00 H new ATOM 0 HA ASP A 55 8.244 -7.950 4.644 1.00 0.00 H new ATOM 0 HB2 ASP A 55 9.717 -10.108 4.774 1.00 0.00 H new ATOM 0 HB3 ASP A 55 10.019 -9.830 3.070 1.00 0.00 H new ATOM 768 N ASP A 56 7.072 -8.062 1.943 1.00 0.00 N ATOM 769 CA ASP A 56 6.835 -7.497 0.626 1.00 0.00 C ATOM 770 C ASP A 56 6.069 -6.180 0.770 1.00 0.00 C ATOM 771 O ASP A 56 5.110 -6.097 1.536 1.00 0.00 O ATOM 772 CB ASP A 56 5.995 -8.441 -0.236 1.00 0.00 C ATOM 773 CG ASP A 56 5.799 -7.992 -1.685 1.00 0.00 C ATOM 774 OD1 ASP A 56 5.468 -6.801 -1.871 1.00 0.00 O ATOM 775 OD2 ASP A 56 5.984 -8.850 -2.575 1.00 0.00 O ATOM 0 H ASP A 56 6.242 -8.435 2.403 1.00 0.00 H new ATOM 0 HA ASP A 56 7.802 -7.338 0.149 1.00 0.00 H new ATOM 0 HB2 ASP A 56 6.466 -9.424 -0.237 1.00 0.00 H new ATOM 0 HB3 ASP A 56 5.016 -8.557 0.228 1.00 0.00 H new ATOM 780 N LEU A 57 6.521 -5.184 0.023 1.00 0.00 N ATOM 781 CA LEU A 57 5.890 -3.876 0.059 1.00 0.00 C ATOM 782 C LEU A 57 4.753 -3.835 -0.964 1.00 0.00 C ATOM 783 O LEU A 57 3.593 -3.648 -0.600 1.00 0.00 O ATOM 784 CB LEU A 57 6.932 -2.773 -0.137 1.00 0.00 C ATOM 785 CG LEU A 57 6.488 -1.357 0.234 1.00 0.00 C ATOM 786 CD1 LEU A 57 5.317 -1.390 1.218 1.00 0.00 C ATOM 787 CD2 LEU A 57 7.663 -0.535 0.768 1.00 0.00 C ATOM 0 H LEU A 57 7.317 -5.256 -0.611 1.00 0.00 H new ATOM 0 HA LEU A 57 5.446 -3.694 1.038 1.00 0.00 H new ATOM 0 HB2 LEU A 57 7.812 -3.023 0.455 1.00 0.00 H new ATOM 0 HB3 LEU A 57 7.240 -2.773 -1.183 1.00 0.00 H new ATOM 0 HG LEU A 57 6.135 -0.862 -0.671 1.00 0.00 H new ATOM 0 HD11 LEU A 57 5.021 -0.371 1.465 1.00 0.00 H new ATOM 0 HD12 LEU A 57 4.475 -1.913 0.764 1.00 0.00 H new ATOM 0 HD13 LEU A 57 5.620 -1.910 2.127 1.00 0.00 H new ATOM 0 HD21 LEU A 57 7.319 0.467 1.024 1.00 0.00 H new ATOM 0 HD22 LEU A 57 8.070 -1.017 1.657 1.00 0.00 H new ATOM 0 HD23 LEU A 57 8.438 -0.469 0.004 1.00 0.00 H new ATOM 799 N THR A 58 5.125 -4.013 -2.223 1.00 0.00 N ATOM 800 CA THR A 58 4.150 -3.999 -3.300 1.00 0.00 C ATOM 801 C THR A 58 2.898 -4.781 -2.897 1.00 0.00 C ATOM 802 O THR A 58 1.781 -4.380 -3.220 1.00 0.00 O ATOM 803 CB THR A 58 4.828 -4.545 -4.558 1.00 0.00 C ATOM 804 OG1 THR A 58 5.580 -3.441 -5.055 1.00 0.00 O ATOM 805 CG2 THR A 58 3.829 -4.849 -5.677 1.00 0.00 C ATOM 0 H THR A 58 6.088 -4.168 -2.521 1.00 0.00 H new ATOM 0 HA THR A 58 3.808 -2.986 -3.511 1.00 0.00 H new ATOM 0 HB THR A 58 5.380 -5.451 -4.308 1.00 0.00 H new ATOM 0 HG1 THR A 58 6.053 -3.708 -5.870 1.00 0.00 H new ATOM 0 HG21 THR A 58 4.362 -5.234 -6.546 1.00 0.00 H new ATOM 0 HG22 THR A 58 3.112 -5.594 -5.332 1.00 0.00 H new ATOM 0 HG23 THR A 58 3.300 -3.936 -5.951 1.00 0.00 H new ATOM 813 N VAL A 59 3.127 -5.881 -2.196 1.00 0.00 N ATOM 814 CA VAL A 59 2.031 -6.723 -1.745 1.00 0.00 C ATOM 815 C VAL A 59 1.353 -6.067 -0.540 1.00 0.00 C ATOM 816 O VAL A 59 0.132 -5.920 -0.514 1.00 0.00 O ATOM 817 CB VAL A 59 2.542 -8.134 -1.449 1.00 0.00 C ATOM 818 CG1 VAL A 59 1.402 -9.046 -0.993 1.00 0.00 C ATOM 819 CG2 VAL A 59 3.263 -8.722 -2.663 1.00 0.00 C ATOM 0 H VAL A 59 4.055 -6.209 -1.929 1.00 0.00 H new ATOM 0 HA VAL A 59 1.279 -6.823 -2.527 1.00 0.00 H new ATOM 0 HB VAL A 59 3.262 -8.065 -0.633 1.00 0.00 H new ATOM 0 HG11 VAL A 59 1.793 -10.043 -0.789 1.00 0.00 H new ATOM 0 HG12 VAL A 59 0.952 -8.641 -0.087 1.00 0.00 H new ATOM 0 HG13 VAL A 59 0.648 -9.105 -1.778 1.00 0.00 H new ATOM 0 HG21 VAL A 59 3.616 -9.725 -2.426 1.00 0.00 H new ATOM 0 HG22 VAL A 59 2.575 -8.770 -3.507 1.00 0.00 H new ATOM 0 HG23 VAL A 59 4.112 -8.090 -2.923 1.00 0.00 H new ATOM 829 N ALA A 60 2.175 -5.691 0.429 1.00 0.00 N ATOM 830 CA ALA A 60 1.670 -5.055 1.634 1.00 0.00 C ATOM 831 C ALA A 60 0.652 -3.980 1.249 1.00 0.00 C ATOM 832 O ALA A 60 -0.495 -4.020 1.692 1.00 0.00 O ATOM 833 CB ALA A 60 2.840 -4.488 2.441 1.00 0.00 C ATOM 0 H ALA A 60 3.187 -5.815 0.404 1.00 0.00 H new ATOM 0 HA ALA A 60 1.160 -5.781 2.267 1.00 0.00 H new ATOM 0 HB1 ALA A 60 2.461 -4.011 3.345 1.00 0.00 H new ATOM 0 HB2 ALA A 60 3.519 -5.296 2.714 1.00 0.00 H new ATOM 0 HB3 ALA A 60 3.375 -3.753 1.839 1.00 0.00 H new ATOM 839 N VAL A 61 1.108 -3.045 0.430 1.00 0.00 N ATOM 840 CA VAL A 61 0.251 -1.961 -0.019 1.00 0.00 C ATOM 841 C VAL A 61 -1.149 -2.508 -0.306 1.00 0.00 C ATOM 842 O VAL A 61 -2.135 -2.020 0.244 1.00 0.00 O ATOM 843 CB VAL A 61 0.879 -1.263 -1.227 1.00 0.00 C ATOM 844 CG1 VAL A 61 -0.098 -0.266 -1.854 1.00 0.00 C ATOM 845 CG2 VAL A 61 2.191 -0.577 -0.843 1.00 0.00 C ATOM 0 H VAL A 61 2.060 -3.015 0.065 1.00 0.00 H new ATOM 0 HA VAL A 61 0.151 -1.206 0.761 1.00 0.00 H new ATOM 0 HB VAL A 61 1.105 -2.025 -1.973 1.00 0.00 H new ATOM 0 HG11 VAL A 61 0.374 0.216 -2.710 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -0.994 -0.792 -2.182 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -0.370 0.489 -1.117 1.00 0.00 H new ATOM 0 HG21 VAL A 61 2.616 -0.089 -1.720 1.00 0.00 H new ATOM 0 HG22 VAL A 61 2.000 0.167 -0.070 1.00 0.00 H new ATOM 0 HG23 VAL A 61 2.893 -1.320 -0.465 1.00 0.00 H new ATOM 855 N GLU A 62 -1.191 -3.514 -1.167 1.00 0.00 N ATOM 856 CA GLU A 62 -2.453 -4.134 -1.534 1.00 0.00 C ATOM 857 C GLU A 62 -3.281 -4.433 -0.282 1.00 0.00 C ATOM 858 O GLU A 62 -4.488 -4.199 -0.261 1.00 0.00 O ATOM 859 CB GLU A 62 -2.223 -5.403 -2.355 1.00 0.00 C ATOM 860 CG GLU A 62 -1.485 -5.087 -3.658 1.00 0.00 C ATOM 861 CD GLU A 62 -2.460 -4.620 -4.741 1.00 0.00 C ATOM 862 OE1 GLU A 62 -3.320 -3.777 -4.405 1.00 0.00 O ATOM 863 OE2 GLU A 62 -2.324 -5.117 -5.880 1.00 0.00 O ATOM 0 H GLU A 62 -0.371 -3.916 -1.621 1.00 0.00 H new ATOM 0 HA GLU A 62 -3.011 -3.435 -2.157 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -1.646 -6.119 -1.770 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -3.180 -5.873 -2.580 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -0.738 -4.314 -3.479 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -0.951 -5.973 -4.002 1.00 0.00 H new ATOM 870 N ILE A 63 -2.598 -4.946 0.731 1.00 0.00 N ATOM 871 CA ILE A 63 -3.255 -5.279 1.984 1.00 0.00 C ATOM 872 C ILE A 63 -3.749 -3.996 2.653 1.00 0.00 C ATOM 873 O ILE A 63 -4.901 -3.916 3.077 1.00 0.00 O ATOM 874 CB ILE A 63 -2.329 -6.117 2.868 1.00 0.00 C ATOM 875 CG1 ILE A 63 -2.176 -7.535 2.313 1.00 0.00 C ATOM 876 CG2 ILE A 63 -2.811 -6.119 4.320 1.00 0.00 C ATOM 877 CD1 ILE A 63 -0.889 -8.187 2.824 1.00 0.00 C ATOM 0 H ILE A 63 -1.597 -5.139 0.710 1.00 0.00 H new ATOM 0 HA ILE A 63 -4.132 -5.901 1.801 1.00 0.00 H new ATOM 0 HB ILE A 63 -1.340 -5.659 2.858 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -3.035 -8.139 2.606 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -2.165 -7.504 1.224 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -2.135 -6.722 4.927 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -2.826 -5.097 4.700 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -3.815 -6.539 4.369 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -0.804 -9.194 2.415 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -0.031 -7.594 2.509 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -0.915 -8.238 3.912 1.00 0.00 H new ATOM 889 N LEU A 64 -2.853 -3.022 2.727 1.00 0.00 N ATOM 890 CA LEU A 64 -3.184 -1.746 3.338 1.00 0.00 C ATOM 891 C LEU A 64 -4.364 -1.119 2.593 1.00 0.00 C ATOM 892 O LEU A 64 -5.306 -0.629 3.214 1.00 0.00 O ATOM 893 CB LEU A 64 -1.948 -0.846 3.400 1.00 0.00 C ATOM 894 CG LEU A 64 -0.884 -1.238 4.427 1.00 0.00 C ATOM 895 CD1 LEU A 64 -1.080 -0.476 5.739 1.00 0.00 C ATOM 896 CD2 LEU A 64 -0.861 -2.753 4.642 1.00 0.00 C ATOM 0 H LEU A 64 -1.899 -3.091 2.374 1.00 0.00 H new ATOM 0 HA LEU A 64 -3.499 -1.889 4.372 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -1.484 -0.831 2.414 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -2.274 0.172 3.615 1.00 0.00 H new ATOM 0 HG LEU A 64 0.092 -0.954 4.033 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -0.310 -0.774 6.451 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -1.007 0.595 5.552 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -2.063 -0.706 6.150 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -0.096 -3.005 5.377 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -1.834 -3.084 5.004 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -0.636 -3.251 3.699 1.00 0.00 H new ATOM 908 N MET A 65 -4.275 -1.156 1.271 1.00 0.00 N ATOM 909 CA MET A 65 -5.324 -0.597 0.435 1.00 0.00 C ATOM 910 C MET A 65 -6.690 -1.175 0.810 1.00 0.00 C ATOM 911 O MET A 65 -7.664 -0.436 0.948 1.00 0.00 O ATOM 912 CB MET A 65 -5.025 -0.906 -1.033 1.00 0.00 C ATOM 913 CG MET A 65 -3.816 -0.108 -1.526 1.00 0.00 C ATOM 914 SD MET A 65 -4.319 1.541 -1.986 1.00 0.00 S ATOM 915 CE MET A 65 -3.210 1.833 -3.355 1.00 0.00 C ATOM 0 H MET A 65 -3.493 -1.564 0.759 1.00 0.00 H new ATOM 0 HA MET A 65 -5.351 0.481 0.591 1.00 0.00 H new ATOM 0 HB2 MET A 65 -4.834 -1.973 -1.152 1.00 0.00 H new ATOM 0 HB3 MET A 65 -5.896 -0.668 -1.643 1.00 0.00 H new ATOM 0 HG2 MET A 65 -3.058 -0.061 -0.744 1.00 0.00 H new ATOM 0 HG3 MET A 65 -3.362 -0.610 -2.380 1.00 0.00 H new ATOM 0 HE1 MET A 65 -3.391 2.827 -3.764 1.00 0.00 H new ATOM 0 HE2 MET A 65 -2.179 1.765 -3.009 1.00 0.00 H new ATOM 0 HE3 MET A 65 -3.383 1.085 -4.129 1.00 0.00 H new ATOM 925 N SER A 66 -6.718 -2.491 0.965 1.00 0.00 N ATOM 926 CA SER A 66 -7.949 -3.176 1.321 1.00 0.00 C ATOM 927 C SER A 66 -8.358 -2.809 2.749 1.00 0.00 C ATOM 928 O SER A 66 -9.522 -2.507 3.007 1.00 0.00 O ATOM 929 CB SER A 66 -7.794 -4.692 1.187 1.00 0.00 C ATOM 930 OG SER A 66 -8.930 -5.392 1.687 1.00 0.00 O ATOM 0 H SER A 66 -5.908 -3.101 0.851 1.00 0.00 H new ATOM 0 HA SER A 66 -8.730 -2.855 0.632 1.00 0.00 H new ATOM 0 HB2 SER A 66 -7.642 -4.949 0.139 1.00 0.00 H new ATOM 0 HB3 SER A 66 -6.903 -5.014 1.727 1.00 0.00 H new ATOM 0 HG SER A 66 -8.792 -6.357 1.582 1.00 0.00 H new ATOM 936 N GLN A 67 -7.377 -2.848 3.640 1.00 0.00 N ATOM 937 CA GLN A 67 -7.620 -2.523 5.035 1.00 0.00 C ATOM 938 C GLN A 67 -8.384 -1.202 5.147 1.00 0.00 C ATOM 939 O GLN A 67 -9.450 -1.147 5.759 1.00 0.00 O ATOM 940 CB GLN A 67 -6.309 -2.466 5.821 1.00 0.00 C ATOM 941 CG GLN A 67 -5.630 -3.837 5.854 1.00 0.00 C ATOM 942 CD GLN A 67 -5.500 -4.350 7.290 1.00 0.00 C ATOM 943 OE1 GLN A 67 -6.476 -4.588 7.982 1.00 0.00 O ATOM 944 NE2 GLN A 67 -4.244 -4.506 7.697 1.00 0.00 N ATOM 0 H GLN A 67 -6.413 -3.100 3.422 1.00 0.00 H new ATOM 0 HA GLN A 67 -8.232 -3.313 5.470 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -5.640 -1.735 5.367 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -6.505 -2.129 6.839 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -6.207 -4.547 5.261 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -4.643 -3.769 5.398 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -3.473 -4.288 7.066 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -4.052 -4.844 8.640 1.00 0.00 H new ATOM 953 N SER A 68 -7.810 -0.170 4.546 1.00 0.00 N ATOM 954 CA SER A 68 -8.424 1.147 4.571 1.00 0.00 C ATOM 955 C SER A 68 -8.033 1.930 3.317 1.00 0.00 C ATOM 956 O SER A 68 -6.926 1.774 2.803 1.00 0.00 O ATOM 957 CB SER A 68 -8.018 1.920 5.828 1.00 0.00 C ATOM 958 OG SER A 68 -6.666 2.365 5.767 1.00 0.00 O ATOM 0 H SER A 68 -6.926 -0.219 4.039 1.00 0.00 H new ATOM 0 HA SER A 68 -9.506 1.020 4.589 1.00 0.00 H new ATOM 0 HB2 SER A 68 -8.677 2.779 5.954 1.00 0.00 H new ATOM 0 HB3 SER A 68 -8.151 1.284 6.703 1.00 0.00 H new ATOM 0 HG SER A 68 -6.446 2.855 6.586 1.00 0.00 H new ATOM 964 N GLY A 69 -8.963 2.755 2.859 1.00 0.00 N ATOM 965 CA GLY A 69 -8.729 3.563 1.674 1.00 0.00 C ATOM 966 C GLY A 69 -9.951 4.425 1.349 1.00 0.00 C ATOM 967 O GLY A 69 -11.045 4.173 1.851 1.00 0.00 O ATOM 0 H GLY A 69 -9.880 2.881 3.287 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -7.860 4.202 1.831 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -8.500 2.916 0.827 1.00 0.00 H new ATOM 971 N PRO A 70 -9.716 5.452 0.489 1.00 0.00 N ATOM 972 CA PRO A 70 -10.784 6.353 0.091 1.00 0.00 C ATOM 973 C PRO A 70 -11.723 5.681 -0.913 1.00 0.00 C ATOM 974 O PRO A 70 -11.421 4.606 -1.428 1.00 0.00 O ATOM 975 CB PRO A 70 -10.078 7.572 -0.481 1.00 0.00 C ATOM 976 CG PRO A 70 -8.665 7.119 -0.810 1.00 0.00 C ATOM 977 CD PRO A 70 -8.434 5.782 -0.126 1.00 0.00 C ATOM 0 HA PRO A 70 -11.427 6.636 0.924 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -10.589 7.937 -1.372 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -10.068 8.391 0.238 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -8.536 7.024 -1.888 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -7.938 7.855 -0.466 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -8.131 5.018 -0.842 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -7.643 5.851 0.621 1.00 0.00 H new ATOM 985 N SER A 71 -12.844 6.343 -1.161 1.00 0.00 N ATOM 986 CA SER A 71 -13.829 5.823 -2.094 1.00 0.00 C ATOM 987 C SER A 71 -13.240 5.774 -3.505 1.00 0.00 C ATOM 988 O SER A 71 -13.348 6.738 -4.261 1.00 0.00 O ATOM 989 CB SER A 71 -15.103 6.671 -2.080 1.00 0.00 C ATOM 990 OG SER A 71 -15.967 6.354 -3.168 1.00 0.00 O ATOM 0 H SER A 71 -13.092 7.235 -0.732 1.00 0.00 H new ATOM 0 HA SER A 71 -14.094 4.812 -1.783 1.00 0.00 H new ATOM 0 HB2 SER A 71 -15.632 6.515 -1.140 1.00 0.00 H new ATOM 0 HB3 SER A 71 -14.836 7.727 -2.125 1.00 0.00 H new ATOM 0 HG SER A 71 -16.769 6.915 -3.123 1.00 0.00 H new ATOM 996 N SER A 72 -12.629 4.640 -3.817 1.00 0.00 N ATOM 997 CA SER A 72 -12.022 4.453 -5.124 1.00 0.00 C ATOM 998 C SER A 72 -12.637 3.235 -5.817 1.00 0.00 C ATOM 999 O SER A 72 -13.192 3.353 -6.908 1.00 0.00 O ATOM 1000 CB SER A 72 -10.505 4.287 -5.008 1.00 0.00 C ATOM 1001 OG SER A 72 -9.849 4.488 -6.257 1.00 0.00 O ATOM 0 H SER A 72 -12.541 3.842 -3.188 1.00 0.00 H new ATOM 0 HA SER A 72 -12.219 5.342 -5.723 1.00 0.00 H new ATOM 0 HB2 SER A 72 -10.118 4.996 -4.277 1.00 0.00 H new ATOM 0 HB3 SER A 72 -10.277 3.288 -4.635 1.00 0.00 H new ATOM 0 HG SER A 72 -8.882 4.375 -6.141 1.00 0.00 H new ATOM 1007 N GLY A 73 -12.517 2.094 -5.155 1.00 0.00 N ATOM 1008 CA GLY A 73 -13.055 0.856 -5.693 1.00 0.00 C ATOM 1009 C GLY A 73 -13.221 -0.194 -4.593 1.00 0.00 C ATOM 1010 O GLY A 73 -13.356 0.148 -3.419 1.00 0.00 O ATOM 0 H GLY A 73 -12.055 2.001 -4.250 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -14.018 1.049 -6.165 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -12.391 0.474 -6.468 1.00 0.00 H new TER 1014 GLY A 73