USER MOD reduce.3.24.130724 H: found=0, std=0, add=900, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 898 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+ -113:sc= 0.084 (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 43:sc= 0.501 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 ASN : amide:sc= -0.456 K(o=-0.46,f=-1.1) USER MOD Single : A 10 ASN : amide:sc= -0.289 X(o=-0.29,f=0) USER MOD Single : A 11 SER OG : rot 10:sc= 0.0929 USER MOD Single : A 16 LYS NZ :NH3+ -166:sc=-0.00311 (180deg=-0.0992) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 ASN : amide:sc= -1.07! C(o=-1.1!,f=-1.1!) USER MOD Single : A 27 SER OG : rot 36:sc= -2.33! USER MOD Single : A 31 THR OG1 : rot -170:sc= 0 USER MOD Single : A 35 GLN : amide:sc= -7.74! C(o=-7.7!,f=-7.5!) USER MOD Single : A 46 ASN : amide:sc= 0 X(o=0,f=-0.27) USER MOD Single : A 48 GLN : amide:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 51 TYR OH : rot 180:sc= 0.113 USER MOD Single : A 57 THR OG1 : rot 180:sc= 0.0302 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 77 HIS : no HD1:sc= -0.225 X(o=-0.22,f=-0.3) USER MOD Single : A 85 ASN :FLIP amide:sc= -0.186 F(o=-0.89,f=-0.19) USER MOD Single : A 86 GLN : amide:sc= -0.422 X(o=-0.42,f=-0.83) USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 MET CE :methyl -162:sc= 0 (180deg=-0.463) USER MOD Single : A 98 GLN : amide:sc= -3.41 K(o=-3.4,f=-8.8!) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 THR OG1 : rot 6:sc= 0.943 USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 THR OG1 : rot 180:sc= 0 USER MOD Single : A 110 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 112 LYS NZ :NH3+ -137:sc= -0.0345 (180deg=-0.275) USER MOD Single : A 115 ASN : amide:sc= -0.593 K(o=-0.59,f=-1.9!) USER MOD Single : A 117 ASN : amide:sc= -0.0468 X(o=-0.047,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -5.318 5.834 22.712 1.00 0.00 N ATOM 2 CA GLY A 1 -4.883 6.570 21.540 1.00 0.00 C ATOM 3 C GLY A 1 -4.914 8.071 21.753 1.00 0.00 C ATOM 4 O GLY A 1 -5.459 8.552 22.746 1.00 0.00 O ATOM 0 H1 GLY A 1 -4.515 5.303 23.106 1.00 0.00 H new ATOM 0 H2 GLY A 1 -5.677 6.499 23.426 1.00 0.00 H new ATOM 0 H3 GLY A 1 -6.074 5.171 22.445 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -3.870 6.264 21.278 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -5.522 6.313 20.695 1.00 0.00 H new ATOM 8 N SER A 2 -4.325 8.812 20.819 1.00 0.00 N ATOM 9 CA SER A 2 -4.283 10.266 20.912 1.00 0.00 C ATOM 10 C SER A 2 -4.951 10.908 19.701 1.00 0.00 C ATOM 11 O SER A 2 -4.764 10.465 18.567 1.00 0.00 O ATOM 12 CB SER A 2 -2.835 10.749 21.026 1.00 0.00 C ATOM 13 OG SER A 2 -2.097 10.426 19.859 1.00 0.00 O ATOM 0 H SER A 2 -3.871 8.429 19.990 1.00 0.00 H new ATOM 0 HA SER A 2 -4.830 10.564 21.807 1.00 0.00 H new ATOM 0 HB2 SER A 2 -2.819 11.827 21.183 1.00 0.00 H new ATOM 0 HB3 SER A 2 -2.363 10.293 21.896 1.00 0.00 H new ATOM 0 HG SER A 2 -1.176 10.746 19.955 1.00 0.00 H new ATOM 19 N SER A 3 -5.732 11.955 19.949 1.00 0.00 N ATOM 20 CA SER A 3 -6.433 12.656 18.880 1.00 0.00 C ATOM 21 C SER A 3 -5.444 13.342 17.941 1.00 0.00 C ATOM 22 O SER A 3 -5.376 13.026 16.754 1.00 0.00 O ATOM 23 CB SER A 3 -7.398 13.689 19.465 1.00 0.00 C ATOM 24 OG SER A 3 -7.976 14.483 18.444 1.00 0.00 O ATOM 0 H SER A 3 -5.895 12.336 20.881 1.00 0.00 H new ATOM 0 HA SER A 3 -7.001 11.922 18.309 1.00 0.00 H new ATOM 0 HB2 SER A 3 -8.184 13.181 20.024 1.00 0.00 H new ATOM 0 HB3 SER A 3 -6.867 14.328 20.171 1.00 0.00 H new ATOM 0 HG SER A 3 -8.590 15.134 18.844 1.00 0.00 H new ATOM 30 N GLY A 4 -4.679 14.284 18.484 1.00 0.00 N ATOM 31 CA GLY A 4 -3.704 15.001 17.682 1.00 0.00 C ATOM 32 C GLY A 4 -3.562 16.451 18.101 1.00 0.00 C ATOM 33 O GLY A 4 -4.556 17.162 18.248 1.00 0.00 O ATOM 0 H GLY A 4 -4.717 14.564 19.464 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -2.736 14.506 17.764 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -3.997 14.956 16.633 1.00 0.00 H new ATOM 37 N SER A 5 -2.323 16.891 18.295 1.00 0.00 N ATOM 38 CA SER A 5 -2.055 18.264 18.705 1.00 0.00 C ATOM 39 C SER A 5 -0.570 18.590 18.573 1.00 0.00 C ATOM 40 O SER A 5 0.263 18.044 19.296 1.00 0.00 O ATOM 41 CB SER A 5 -2.511 18.486 20.149 1.00 0.00 C ATOM 42 OG SER A 5 -1.887 17.566 21.028 1.00 0.00 O ATOM 0 H SER A 5 -1.489 16.316 18.175 1.00 0.00 H new ATOM 0 HA SER A 5 -2.615 18.929 18.048 1.00 0.00 H new ATOM 0 HB2 SER A 5 -2.274 19.505 20.456 1.00 0.00 H new ATOM 0 HB3 SER A 5 -3.594 18.377 20.213 1.00 0.00 H new ATOM 0 HG SER A 5 -0.940 17.478 20.791 1.00 0.00 H new ATOM 48 N SER A 6 -0.248 19.485 17.645 1.00 0.00 N ATOM 49 CA SER A 6 1.136 19.882 17.414 1.00 0.00 C ATOM 50 C SER A 6 1.203 21.234 16.711 1.00 0.00 C ATOM 51 O SER A 6 0.183 21.782 16.296 1.00 0.00 O ATOM 52 CB SER A 6 1.861 18.824 16.580 1.00 0.00 C ATOM 53 OG SER A 6 1.386 18.815 15.245 1.00 0.00 O ATOM 0 H SER A 6 -0.926 19.949 17.041 1.00 0.00 H new ATOM 0 HA SER A 6 1.629 19.970 18.382 1.00 0.00 H new ATOM 0 HB2 SER A 6 2.933 19.022 16.587 1.00 0.00 H new ATOM 0 HB3 SER A 6 1.716 17.841 17.028 1.00 0.00 H new ATOM 0 HG SER A 6 1.866 18.132 14.732 1.00 0.00 H new ATOM 59 N GLY A 7 2.414 21.767 16.581 1.00 0.00 N ATOM 60 CA GLY A 7 2.594 23.051 15.927 1.00 0.00 C ATOM 61 C GLY A 7 2.553 22.943 14.416 1.00 0.00 C ATOM 62 O GLY A 7 2.760 21.866 13.858 1.00 0.00 O ATOM 0 H GLY A 7 3.274 21.333 16.917 1.00 0.00 H new ATOM 0 HA2 GLY A 7 1.815 23.737 16.260 1.00 0.00 H new ATOM 0 HA3 GLY A 7 3.549 23.480 16.232 1.00 0.00 H new ATOM 66 N ASN A 8 2.285 24.062 13.751 1.00 0.00 N ATOM 67 CA ASN A 8 2.215 24.088 12.295 1.00 0.00 C ATOM 68 C ASN A 8 3.462 23.459 11.680 1.00 0.00 C ATOM 69 O ASN A 8 4.561 23.574 12.223 1.00 0.00 O ATOM 70 CB ASN A 8 2.057 25.526 11.797 1.00 0.00 C ATOM 71 CG ASN A 8 2.893 26.509 12.593 1.00 0.00 C ATOM 72 OD1 ASN A 8 3.896 26.137 13.202 1.00 0.00 O ATOM 73 ND2 ASN A 8 2.482 27.772 12.592 1.00 0.00 N ATOM 0 H ASN A 8 2.113 24.963 14.198 1.00 0.00 H new ATOM 0 HA ASN A 8 1.346 23.506 11.987 1.00 0.00 H new ATOM 0 HB2 ASN A 8 2.343 25.577 10.746 1.00 0.00 H new ATOM 0 HB3 ASN A 8 1.008 25.815 11.856 1.00 0.00 H new ATOM 0 HD21 ASN A 8 3.004 28.479 13.110 1.00 0.00 H new ATOM 0 HD22 ASN A 8 1.644 28.035 12.073 1.00 0.00 H new ATOM 80 N ASP A 9 3.283 22.794 10.543 1.00 0.00 N ATOM 81 CA ASP A 9 4.393 22.148 9.853 1.00 0.00 C ATOM 82 C ASP A 9 3.996 21.758 8.432 1.00 0.00 C ATOM 83 O ASP A 9 2.842 21.419 8.171 1.00 0.00 O ATOM 84 CB ASP A 9 4.851 20.910 10.626 1.00 0.00 C ATOM 85 CG ASP A 9 6.141 20.331 10.079 1.00 0.00 C ATOM 86 OD1 ASP A 9 7.223 20.798 10.493 1.00 0.00 O ATOM 87 OD2 ASP A 9 6.070 19.412 9.237 1.00 0.00 O ATOM 0 H ASP A 9 2.380 22.689 10.080 1.00 0.00 H new ATOM 0 HA ASP A 9 5.218 22.858 9.799 1.00 0.00 H new ATOM 0 HB2 ASP A 9 4.989 21.171 11.675 1.00 0.00 H new ATOM 0 HB3 ASP A 9 4.070 20.151 10.587 1.00 0.00 H new ATOM 92 N ASN A 10 4.959 21.809 7.519 1.00 0.00 N ATOM 93 CA ASN A 10 4.710 21.463 6.124 1.00 0.00 C ATOM 94 C ASN A 10 5.768 20.493 5.607 1.00 0.00 C ATOM 95 O ASN A 10 6.851 20.904 5.191 1.00 0.00 O ATOM 96 CB ASN A 10 4.692 22.724 5.259 1.00 0.00 C ATOM 97 CG ASN A 10 3.952 22.518 3.951 1.00 0.00 C ATOM 98 OD1 ASN A 10 2.837 23.009 3.772 1.00 0.00 O ATOM 99 ND2 ASN A 10 4.570 21.788 3.030 1.00 0.00 N ATOM 0 H ASN A 10 5.920 22.087 7.719 1.00 0.00 H new ATOM 0 HA ASN A 10 3.736 20.976 6.065 1.00 0.00 H new ATOM 0 HB2 ASN A 10 4.223 23.536 5.815 1.00 0.00 H new ATOM 0 HB3 ASN A 10 5.716 23.032 5.049 1.00 0.00 H new ATOM 0 HD21 ASN A 10 4.121 21.615 2.131 1.00 0.00 H new ATOM 0 HD22 ASN A 10 5.494 21.401 3.222 1.00 0.00 H new ATOM 106 N SER A 11 5.445 19.204 5.635 1.00 0.00 N ATOM 107 CA SER A 11 6.369 18.175 5.172 1.00 0.00 C ATOM 108 C SER A 11 5.610 16.991 4.579 1.00 0.00 C ATOM 109 O SER A 11 4.451 16.737 4.906 1.00 0.00 O ATOM 110 CB SER A 11 7.257 17.701 6.324 1.00 0.00 C ATOM 111 OG SER A 11 8.267 18.651 6.613 1.00 0.00 O ATOM 0 H SER A 11 4.551 18.847 5.973 1.00 0.00 H new ATOM 0 HA SER A 11 6.997 18.609 4.394 1.00 0.00 H new ATOM 0 HB2 SER A 11 6.647 17.532 7.212 1.00 0.00 H new ATOM 0 HB3 SER A 11 7.715 16.746 6.065 1.00 0.00 H new ATOM 0 HG SER A 11 8.085 19.481 6.124 1.00 0.00 H new ATOM 117 N PRO A 12 6.280 16.248 3.685 1.00 0.00 N ATOM 118 CA PRO A 12 5.690 15.078 3.028 1.00 0.00 C ATOM 119 C PRO A 12 5.486 13.913 3.990 1.00 0.00 C ATOM 120 O PRO A 12 6.449 13.363 4.525 1.00 0.00 O ATOM 121 CB PRO A 12 6.722 14.715 1.958 1.00 0.00 C ATOM 122 CG PRO A 12 8.012 15.248 2.479 1.00 0.00 C ATOM 123 CD PRO A 12 7.664 16.493 3.248 1.00 0.00 C ATOM 0 HA PRO A 12 4.699 15.292 2.629 1.00 0.00 H new ATOM 0 HB2 PRO A 12 6.772 13.637 1.806 1.00 0.00 H new ATOM 0 HB3 PRO A 12 6.469 15.161 0.996 1.00 0.00 H new ATOM 0 HG2 PRO A 12 8.505 14.518 3.121 1.00 0.00 H new ATOM 0 HG3 PRO A 12 8.700 15.472 1.664 1.00 0.00 H new ATOM 0 HD2 PRO A 12 8.333 16.642 4.096 1.00 0.00 H new ATOM 0 HD3 PRO A 12 7.737 17.384 2.624 1.00 0.00 H new ATOM 131 N ARG A 13 4.229 13.542 4.206 1.00 0.00 N ATOM 132 CA ARG A 13 3.900 12.443 5.105 1.00 0.00 C ATOM 133 C ARG A 13 2.877 11.507 4.467 1.00 0.00 C ATOM 134 O ARG A 13 1.869 11.952 3.920 1.00 0.00 O ATOM 135 CB ARG A 13 3.357 12.983 6.429 1.00 0.00 C ATOM 136 CG ARG A 13 4.434 13.535 7.349 1.00 0.00 C ATOM 137 CD ARG A 13 4.050 13.378 8.812 1.00 0.00 C ATOM 138 NE ARG A 13 4.897 14.181 9.689 1.00 0.00 N ATOM 139 CZ ARG A 13 4.986 13.991 11.001 1.00 0.00 C ATOM 140 NH1 ARG A 13 4.283 13.030 11.584 1.00 0.00 N ATOM 141 NH2 ARG A 13 5.779 14.764 11.732 1.00 0.00 N ATOM 0 H ARG A 13 3.421 13.987 3.770 1.00 0.00 H new ATOM 0 HA ARG A 13 4.813 11.879 5.298 1.00 0.00 H new ATOM 0 HB2 ARG A 13 2.631 13.769 6.221 1.00 0.00 H new ATOM 0 HB3 ARG A 13 2.824 12.185 6.946 1.00 0.00 H new ATOM 0 HG2 ARG A 13 5.375 13.018 7.161 1.00 0.00 H new ATOM 0 HG3 ARG A 13 4.600 14.589 7.126 1.00 0.00 H new ATOM 0 HD2 ARG A 13 3.009 13.670 8.947 1.00 0.00 H new ATOM 0 HD3 ARG A 13 4.126 12.328 9.096 1.00 0.00 H new ATOM 0 HE ARG A 13 5.451 14.929 9.272 1.00 0.00 H new ATOM 0 HH11 ARG A 13 3.672 12.434 11.025 1.00 0.00 H new ATOM 0 HH12 ARG A 13 4.353 12.886 12.591 1.00 0.00 H new ATOM 0 HH21 ARG A 13 6.321 15.505 11.287 1.00 0.00 H new ATOM 0 HH22 ARG A 13 5.847 14.618 12.739 1.00 0.00 H new ATOM 155 N PHE A 14 3.145 10.207 4.542 1.00 0.00 N ATOM 156 CA PHE A 14 2.249 9.208 3.971 1.00 0.00 C ATOM 157 C PHE A 14 0.902 9.213 4.688 1.00 0.00 C ATOM 158 O PHE A 14 0.810 9.590 5.855 1.00 0.00 O ATOM 159 CB PHE A 14 2.881 7.817 4.058 1.00 0.00 C ATOM 160 CG PHE A 14 3.971 7.590 3.050 1.00 0.00 C ATOM 161 CD1 PHE A 14 3.668 7.435 1.706 1.00 0.00 C ATOM 162 CD2 PHE A 14 5.297 7.531 3.445 1.00 0.00 C ATOM 163 CE1 PHE A 14 4.669 7.225 0.777 1.00 0.00 C ATOM 164 CE2 PHE A 14 6.302 7.321 2.520 1.00 0.00 C ATOM 165 CZ PHE A 14 5.988 7.169 1.184 1.00 0.00 C ATOM 0 H PHE A 14 3.975 9.821 4.992 1.00 0.00 H new ATOM 0 HA PHE A 14 2.084 9.460 2.923 1.00 0.00 H new ATOM 0 HB2 PHE A 14 3.287 7.673 5.059 1.00 0.00 H new ATOM 0 HB3 PHE A 14 2.105 7.065 3.918 1.00 0.00 H new ATOM 0 HD1 PHE A 14 2.639 7.479 1.382 1.00 0.00 H new ATOM 0 HD2 PHE A 14 5.549 7.651 4.488 1.00 0.00 H new ATOM 0 HE1 PHE A 14 4.420 7.105 -0.267 1.00 0.00 H new ATOM 0 HE2 PHE A 14 7.332 7.276 2.842 1.00 0.00 H new ATOM 0 HZ PHE A 14 6.772 7.007 0.459 1.00 0.00 H new ATOM 175 N GLU A 15 -0.141 8.792 3.978 1.00 0.00 N ATOM 176 CA GLU A 15 -1.483 8.749 4.546 1.00 0.00 C ATOM 177 C GLU A 15 -1.533 7.819 5.755 1.00 0.00 C ATOM 178 O GLU A 15 -2.100 8.161 6.793 1.00 0.00 O ATOM 179 CB GLU A 15 -2.492 8.288 3.492 1.00 0.00 C ATOM 180 CG GLU A 15 -2.463 9.116 2.219 1.00 0.00 C ATOM 181 CD GLU A 15 -3.812 9.171 1.528 1.00 0.00 C ATOM 182 OE1 GLU A 15 -4.123 8.241 0.756 1.00 0.00 O ATOM 183 OE2 GLU A 15 -4.558 10.146 1.762 1.00 0.00 O ATOM 0 H GLU A 15 -0.082 8.476 3.010 1.00 0.00 H new ATOM 0 HA GLU A 15 -1.744 9.756 4.873 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -2.293 7.246 3.242 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -3.494 8.328 3.919 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -2.139 10.129 2.456 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -1.725 8.698 1.535 1.00 0.00 H new ATOM 190 N LYS A 16 -0.936 6.641 5.613 1.00 0.00 N ATOM 191 CA LYS A 16 -0.910 5.660 6.692 1.00 0.00 C ATOM 192 C LYS A 16 0.520 5.390 7.148 1.00 0.00 C ATOM 193 O LYS A 16 1.448 5.381 6.339 1.00 0.00 O ATOM 194 CB LYS A 16 -1.567 4.355 6.238 1.00 0.00 C ATOM 195 CG LYS A 16 -2.948 4.546 5.635 1.00 0.00 C ATOM 196 CD LYS A 16 -3.438 3.280 4.951 1.00 0.00 C ATOM 197 CE LYS A 16 -2.972 3.212 3.505 1.00 0.00 C ATOM 198 NZ LYS A 16 -3.723 4.159 2.635 1.00 0.00 N ATOM 0 H LYS A 16 -0.463 6.342 4.760 1.00 0.00 H new ATOM 0 HA LYS A 16 -1.470 6.068 7.534 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -0.923 3.870 5.504 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -1.642 3.680 7.091 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -3.651 4.833 6.417 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -2.921 5.363 4.914 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -3.073 2.408 5.493 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -4.527 3.245 4.986 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -1.907 3.440 3.456 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -3.098 2.196 3.130 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -3.553 3.923 1.637 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -4.740 4.086 2.839 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -3.401 5.130 2.821 1.00 0.00 H new ATOM 212 N SER A 17 0.690 5.170 8.448 1.00 0.00 N ATOM 213 CA SER A 17 2.008 4.902 9.011 1.00 0.00 C ATOM 214 C SER A 17 2.530 3.544 8.551 1.00 0.00 C ATOM 215 O SER A 17 3.718 3.385 8.271 1.00 0.00 O ATOM 216 CB SER A 17 1.951 4.948 10.539 1.00 0.00 C ATOM 217 OG SER A 17 1.880 6.283 11.007 1.00 0.00 O ATOM 0 H SER A 17 -0.068 5.172 9.131 1.00 0.00 H new ATOM 0 HA SER A 17 2.691 5.673 8.656 1.00 0.00 H new ATOM 0 HB2 SER A 17 1.083 4.390 10.891 1.00 0.00 H new ATOM 0 HB3 SER A 17 2.833 4.460 10.954 1.00 0.00 H new ATOM 0 HG SER A 17 1.843 6.285 11.986 1.00 0.00 H new ATOM 223 N VAL A 18 1.632 2.567 8.476 1.00 0.00 N ATOM 224 CA VAL A 18 2.000 1.222 8.049 1.00 0.00 C ATOM 225 C VAL A 18 1.000 0.674 7.037 1.00 0.00 C ATOM 226 O VAL A 18 -0.069 0.187 7.405 1.00 0.00 O ATOM 227 CB VAL A 18 2.084 0.256 9.246 1.00 0.00 C ATOM 228 CG1 VAL A 18 2.593 -1.106 8.799 1.00 0.00 C ATOM 229 CG2 VAL A 18 2.972 0.836 10.336 1.00 0.00 C ATOM 0 H VAL A 18 0.645 2.681 8.705 1.00 0.00 H new ATOM 0 HA VAL A 18 2.982 1.296 7.582 1.00 0.00 H new ATOM 0 HB VAL A 18 1.083 0.125 9.656 1.00 0.00 H new ATOM 0 HG11 VAL A 18 2.646 -1.775 9.658 1.00 0.00 H new ATOM 0 HG12 VAL A 18 1.913 -1.523 8.056 1.00 0.00 H new ATOM 0 HG13 VAL A 18 3.586 -0.998 8.362 1.00 0.00 H new ATOM 0 HG21 VAL A 18 3.020 0.141 11.174 1.00 0.00 H new ATOM 0 HG22 VAL A 18 3.975 0.998 9.941 1.00 0.00 H new ATOM 0 HG23 VAL A 18 2.558 1.785 10.676 1.00 0.00 H new ATOM 239 N TYR A 19 1.355 0.756 5.759 1.00 0.00 N ATOM 240 CA TYR A 19 0.488 0.269 4.692 1.00 0.00 C ATOM 241 C TYR A 19 0.357 -1.250 4.747 1.00 0.00 C ATOM 242 O TYR A 19 1.311 -1.976 4.469 1.00 0.00 O ATOM 243 CB TYR A 19 1.033 0.697 3.329 1.00 0.00 C ATOM 244 CG TYR A 19 0.623 2.095 2.924 1.00 0.00 C ATOM 245 CD1 TYR A 19 0.948 3.191 3.713 1.00 0.00 C ATOM 246 CD2 TYR A 19 -0.089 2.319 1.752 1.00 0.00 C ATOM 247 CE1 TYR A 19 0.575 4.470 3.347 1.00 0.00 C ATOM 248 CE2 TYR A 19 -0.465 3.595 1.378 1.00 0.00 C ATOM 249 CZ TYR A 19 -0.131 4.667 2.179 1.00 0.00 C ATOM 250 OH TYR A 19 -0.504 5.939 1.810 1.00 0.00 O ATOM 0 H TYR A 19 2.237 1.155 5.437 1.00 0.00 H new ATOM 0 HA TYR A 19 -0.501 0.705 4.834 1.00 0.00 H new ATOM 0 HB2 TYR A 19 2.121 0.638 3.347 1.00 0.00 H new ATOM 0 HB3 TYR A 19 0.688 -0.007 2.572 1.00 0.00 H new ATOM 0 HD1 TYR A 19 1.502 3.041 4.628 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -0.353 1.482 1.123 1.00 0.00 H new ATOM 0 HE1 TYR A 19 0.835 5.311 3.972 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -1.017 3.752 0.463 1.00 0.00 H new ATOM 0 HH TYR A 19 -0.993 5.903 0.962 1.00 0.00 H new ATOM 260 N GLU A 20 -0.832 -1.722 5.106 1.00 0.00 N ATOM 261 CA GLU A 20 -1.089 -3.155 5.197 1.00 0.00 C ATOM 262 C GLU A 20 -2.040 -3.608 4.094 1.00 0.00 C ATOM 263 O GLU A 20 -3.169 -3.128 3.997 1.00 0.00 O ATOM 264 CB GLU A 20 -1.675 -3.504 6.567 1.00 0.00 C ATOM 265 CG GLU A 20 -1.428 -4.944 6.985 1.00 0.00 C ATOM 266 CD GLU A 20 -1.618 -5.160 8.474 1.00 0.00 C ATOM 267 OE1 GLU A 20 -2.645 -4.700 9.014 1.00 0.00 O ATOM 268 OE2 GLU A 20 -0.738 -5.789 9.098 1.00 0.00 O ATOM 0 H GLU A 20 -1.632 -1.134 5.339 1.00 0.00 H new ATOM 0 HA GLU A 20 -0.141 -3.677 5.072 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -1.247 -2.838 7.316 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -2.749 -3.318 6.552 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -2.106 -5.599 6.437 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -0.414 -5.230 6.707 1.00 0.00 H new ATOM 275 N ALA A 21 -1.575 -4.535 3.263 1.00 0.00 N ATOM 276 CA ALA A 21 -2.383 -5.055 2.168 1.00 0.00 C ATOM 277 C ALA A 21 -2.173 -6.555 1.993 1.00 0.00 C ATOM 278 O ALA A 21 -1.216 -7.123 2.521 1.00 0.00 O ATOM 279 CB ALA A 21 -2.057 -4.320 0.876 1.00 0.00 C ATOM 0 H ALA A 21 -0.642 -4.941 3.328 1.00 0.00 H new ATOM 0 HA ALA A 21 -3.432 -4.889 2.413 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -2.668 -4.719 0.066 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -2.266 -3.257 0.999 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -1.003 -4.456 0.636 1.00 0.00 H new ATOM 285 N ASP A 22 -3.072 -7.192 1.250 1.00 0.00 N ATOM 286 CA ASP A 22 -2.984 -8.627 1.006 1.00 0.00 C ATOM 287 C ASP A 22 -2.527 -8.908 -0.422 1.00 0.00 C ATOM 288 O ASP A 22 -3.242 -8.617 -1.382 1.00 0.00 O ATOM 289 CB ASP A 22 -4.336 -9.293 1.263 1.00 0.00 C ATOM 290 CG ASP A 22 -4.626 -9.463 2.742 1.00 0.00 C ATOM 291 OD1 ASP A 22 -5.098 -8.492 3.369 1.00 0.00 O ATOM 292 OD2 ASP A 22 -4.380 -10.566 3.272 1.00 0.00 O ATOM 0 H ASP A 22 -3.870 -6.737 0.806 1.00 0.00 H new ATOM 0 HA ASP A 22 -2.247 -9.043 1.693 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -5.125 -8.695 0.807 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -4.355 -10.269 0.777 1.00 0.00 H new ATOM 297 N LEU A 23 -1.333 -9.474 -0.555 1.00 0.00 N ATOM 298 CA LEU A 23 -0.780 -9.793 -1.867 1.00 0.00 C ATOM 299 C LEU A 23 -0.962 -11.273 -2.189 1.00 0.00 C ATOM 300 O LEU A 23 -0.715 -12.136 -1.347 1.00 0.00 O ATOM 301 CB LEU A 23 0.704 -9.427 -1.920 1.00 0.00 C ATOM 302 CG LEU A 23 1.315 -9.301 -3.315 1.00 0.00 C ATOM 303 CD1 LEU A 23 1.739 -10.665 -3.838 1.00 0.00 C ATOM 304 CD2 LEU A 23 0.331 -8.643 -4.271 1.00 0.00 C ATOM 0 H LEU A 23 -0.729 -9.722 0.229 1.00 0.00 H new ATOM 0 HA LEU A 23 -1.319 -9.208 -2.613 1.00 0.00 H new ATOM 0 HB2 LEU A 23 0.843 -8.480 -1.398 1.00 0.00 H new ATOM 0 HB3 LEU A 23 1.264 -10.181 -1.367 1.00 0.00 H new ATOM 0 HG LEU A 23 2.201 -8.670 -3.247 1.00 0.00 H new ATOM 0 HD11 LEU A 23 2.172 -10.555 -4.832 1.00 0.00 H new ATOM 0 HD12 LEU A 23 2.480 -11.098 -3.166 1.00 0.00 H new ATOM 0 HD13 LEU A 23 0.870 -11.321 -3.891 1.00 0.00 H new ATOM 0 HD21 LEU A 23 0.783 -8.562 -5.259 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -0.574 -9.247 -4.335 1.00 0.00 H new ATOM 0 HD23 LEU A 23 0.078 -7.648 -3.905 1.00 0.00 H new ATOM 316 N ALA A 24 -1.395 -11.558 -3.412 1.00 0.00 N ATOM 317 CA ALA A 24 -1.606 -12.934 -3.847 1.00 0.00 C ATOM 318 C ALA A 24 -0.280 -13.624 -4.147 1.00 0.00 C ATOM 319 O ALA A 24 0.455 -13.213 -5.044 1.00 0.00 O ATOM 320 CB ALA A 24 -2.510 -12.968 -5.070 1.00 0.00 C ATOM 0 H ALA A 24 -1.607 -10.855 -4.120 1.00 0.00 H new ATOM 0 HA ALA A 24 -2.092 -13.475 -3.035 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -2.659 -14.001 -5.384 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -3.473 -12.521 -4.823 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -2.047 -12.406 -5.881 1.00 0.00 H new ATOM 326 N GLU A 25 0.019 -14.676 -3.390 1.00 0.00 N ATOM 327 CA GLU A 25 1.258 -15.421 -3.576 1.00 0.00 C ATOM 328 C GLU A 25 1.472 -15.765 -5.047 1.00 0.00 C ATOM 329 O GLU A 25 2.604 -15.809 -5.527 1.00 0.00 O ATOM 330 CB GLU A 25 1.238 -16.703 -2.739 1.00 0.00 C ATOM 331 CG GLU A 25 0.141 -17.675 -3.141 1.00 0.00 C ATOM 332 CD GLU A 25 0.119 -18.919 -2.275 1.00 0.00 C ATOM 333 OE1 GLU A 25 0.254 -18.785 -1.041 1.00 0.00 O ATOM 334 OE2 GLU A 25 -0.033 -20.027 -2.831 1.00 0.00 O ATOM 0 H GLU A 25 -0.579 -15.030 -2.644 1.00 0.00 H new ATOM 0 HA GLU A 25 2.084 -14.791 -3.245 1.00 0.00 H new ATOM 0 HB2 GLU A 25 2.204 -17.201 -2.829 1.00 0.00 H new ATOM 0 HB3 GLU A 25 1.112 -16.439 -1.689 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -0.825 -17.174 -3.076 1.00 0.00 H new ATOM 0 HG3 GLU A 25 0.281 -17.964 -4.183 1.00 0.00 H new ATOM 341 N ASN A 26 0.375 -16.007 -5.757 1.00 0.00 N ATOM 342 CA ASN A 26 0.441 -16.348 -7.174 1.00 0.00 C ATOM 343 C ASN A 26 0.031 -15.160 -8.039 1.00 0.00 C ATOM 344 O ASN A 26 -0.747 -15.304 -8.981 1.00 0.00 O ATOM 345 CB ASN A 26 -0.461 -17.547 -7.474 1.00 0.00 C ATOM 346 CG ASN A 26 -0.535 -17.858 -8.956 1.00 0.00 C ATOM 347 OD1 ASN A 26 0.485 -17.898 -9.645 1.00 0.00 O ATOM 348 ND2 ASN A 26 -1.745 -18.080 -9.455 1.00 0.00 N ATOM 0 H ASN A 26 -0.570 -15.973 -5.375 1.00 0.00 H new ATOM 0 HA ASN A 26 1.472 -16.609 -7.412 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -0.088 -18.421 -6.940 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -1.464 -17.347 -7.097 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -1.857 -18.294 -10.446 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -2.563 -18.037 -8.847 1.00 0.00 H new ATOM 355 N SER A 27 0.562 -13.986 -7.711 1.00 0.00 N ATOM 356 CA SER A 27 0.250 -12.772 -8.456 1.00 0.00 C ATOM 357 C SER A 27 1.263 -12.544 -9.573 1.00 0.00 C ATOM 358 O SER A 27 2.472 -12.561 -9.343 1.00 0.00 O ATOM 359 CB SER A 27 0.229 -11.564 -7.517 1.00 0.00 C ATOM 360 OG SER A 27 1.516 -11.313 -6.980 1.00 0.00 O ATOM 0 H SER A 27 1.210 -13.850 -6.935 1.00 0.00 H new ATOM 0 HA SER A 27 -0.736 -12.893 -8.903 1.00 0.00 H new ATOM 0 HB2 SER A 27 -0.120 -10.685 -8.058 1.00 0.00 H new ATOM 0 HB3 SER A 27 -0.478 -11.741 -6.707 1.00 0.00 H new ATOM 0 HG SER A 27 2.197 -11.517 -7.654 1.00 0.00 H new ATOM 366 N ALA A 28 0.760 -12.330 -10.785 1.00 0.00 N ATOM 367 CA ALA A 28 1.620 -12.097 -11.939 1.00 0.00 C ATOM 368 C ALA A 28 2.649 -11.011 -11.645 1.00 0.00 C ATOM 369 O ALA A 28 2.527 -10.248 -10.687 1.00 0.00 O ATOM 370 CB ALA A 28 0.783 -11.720 -13.152 1.00 0.00 C ATOM 0 H ALA A 28 -0.238 -12.313 -10.993 1.00 0.00 H new ATOM 0 HA ALA A 28 2.157 -13.021 -12.155 1.00 0.00 H new ATOM 0 HB1 ALA A 28 1.437 -11.549 -14.007 1.00 0.00 H new ATOM 0 HB2 ALA A 28 0.090 -12.530 -13.382 1.00 0.00 H new ATOM 0 HB3 ALA A 28 0.221 -10.811 -12.938 1.00 0.00 H new ATOM 376 N PRO A 29 3.690 -10.937 -12.489 1.00 0.00 N ATOM 377 CA PRO A 29 4.761 -9.948 -12.340 1.00 0.00 C ATOM 378 C PRO A 29 4.288 -8.531 -12.645 1.00 0.00 C ATOM 379 O PRO A 29 5.095 -7.615 -12.794 1.00 0.00 O ATOM 380 CB PRO A 29 5.803 -10.397 -13.367 1.00 0.00 C ATOM 381 CG PRO A 29 5.026 -11.147 -14.393 1.00 0.00 C ATOM 382 CD PRO A 29 3.900 -11.814 -13.653 1.00 0.00 C ATOM 0 HA PRO A 29 5.139 -9.907 -11.319 1.00 0.00 H new ATOM 0 HB2 PRO A 29 6.319 -9.543 -13.807 1.00 0.00 H new ATOM 0 HB3 PRO A 29 6.565 -11.028 -12.908 1.00 0.00 H new ATOM 0 HG2 PRO A 29 4.644 -10.475 -15.162 1.00 0.00 H new ATOM 0 HG3 PRO A 29 5.653 -11.883 -14.896 1.00 0.00 H new ATOM 0 HD2 PRO A 29 3.003 -11.887 -14.268 1.00 0.00 H new ATOM 0 HD3 PRO A 29 4.163 -12.828 -13.350 1.00 0.00 H new ATOM 390 N GLY A 30 2.973 -8.358 -12.736 1.00 0.00 N ATOM 391 CA GLY A 30 2.415 -7.049 -13.023 1.00 0.00 C ATOM 392 C GLY A 30 1.292 -6.677 -12.075 1.00 0.00 C ATOM 393 O GLY A 30 0.979 -5.498 -11.903 1.00 0.00 O ATOM 0 H GLY A 30 2.284 -9.101 -12.616 1.00 0.00 H new ATOM 0 HA2 GLY A 30 3.204 -6.299 -12.959 1.00 0.00 H new ATOM 0 HA3 GLY A 30 2.042 -7.033 -14.047 1.00 0.00 H new ATOM 397 N THR A 31 0.682 -7.684 -11.459 1.00 0.00 N ATOM 398 CA THR A 31 -0.415 -7.457 -10.526 1.00 0.00 C ATOM 399 C THR A 31 -0.116 -6.282 -9.602 1.00 0.00 C ATOM 400 O THR A 31 0.885 -6.263 -8.886 1.00 0.00 O ATOM 401 CB THR A 31 -0.694 -8.709 -9.672 1.00 0.00 C ATOM 402 OG1 THR A 31 -0.965 -9.830 -10.520 1.00 0.00 O ATOM 403 CG2 THR A 31 -1.872 -8.475 -8.739 1.00 0.00 C ATOM 0 H THR A 31 0.929 -8.665 -11.589 1.00 0.00 H new ATOM 0 HA THR A 31 -1.297 -7.230 -11.124 1.00 0.00 H new ATOM 0 HB THR A 31 0.191 -8.916 -9.070 1.00 0.00 H new ATOM 0 HG1 THR A 31 -1.294 -10.578 -9.979 1.00 0.00 H new ATOM 0 HG21 THR A 31 -2.050 -9.372 -8.146 1.00 0.00 H new ATOM 0 HG22 THR A 31 -1.650 -7.640 -8.075 1.00 0.00 H new ATOM 0 HG23 THR A 31 -2.761 -8.245 -9.326 1.00 0.00 H new ATOM 411 N PRO A 32 -1.005 -5.278 -9.615 1.00 0.00 N ATOM 412 CA PRO A 32 -0.859 -4.080 -8.782 1.00 0.00 C ATOM 413 C PRO A 32 -1.067 -4.375 -7.301 1.00 0.00 C ATOM 414 O PRO A 32 -1.904 -5.200 -6.935 1.00 0.00 O ATOM 415 CB PRO A 32 -1.958 -3.150 -9.302 1.00 0.00 C ATOM 416 CG PRO A 32 -2.981 -4.062 -9.885 1.00 0.00 C ATOM 417 CD PRO A 32 -2.222 -5.234 -10.443 1.00 0.00 C ATOM 0 HA PRO A 32 0.143 -3.657 -8.849 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -2.378 -2.546 -8.498 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -1.571 -2.459 -10.051 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -3.694 -4.384 -9.126 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -3.552 -3.560 -10.666 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -2.795 -6.158 -10.365 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -1.986 -5.094 -11.498 1.00 0.00 H new ATOM 425 N ILE A 33 -0.300 -3.696 -6.454 1.00 0.00 N ATOM 426 CA ILE A 33 -0.402 -3.885 -5.012 1.00 0.00 C ATOM 427 C ILE A 33 -1.205 -2.761 -4.366 1.00 0.00 C ATOM 428 O ILE A 33 -2.331 -2.968 -3.914 1.00 0.00 O ATOM 429 CB ILE A 33 0.988 -3.953 -4.353 1.00 0.00 C ATOM 430 CG1 ILE A 33 1.814 -5.084 -4.970 1.00 0.00 C ATOM 431 CG2 ILE A 33 0.853 -4.147 -2.850 1.00 0.00 C ATOM 432 CD1 ILE A 33 3.305 -4.833 -4.932 1.00 0.00 C ATOM 0 H ILE A 33 0.398 -3.010 -6.741 1.00 0.00 H new ATOM 0 HA ILE A 33 -0.916 -4.833 -4.854 1.00 0.00 H new ATOM 0 HB ILE A 33 1.506 -3.011 -4.533 1.00 0.00 H new ATOM 0 HG12 ILE A 33 1.596 -6.012 -4.441 1.00 0.00 H new ATOM 0 HG13 ILE A 33 1.504 -5.227 -6.005 1.00 0.00 H new ATOM 0 HG21 ILE A 33 1.844 -4.193 -2.399 1.00 0.00 H new ATOM 0 HG22 ILE A 33 0.299 -3.311 -2.424 1.00 0.00 H new ATOM 0 HG23 ILE A 33 0.319 -5.076 -2.650 1.00 0.00 H new ATOM 0 HD11 ILE A 33 3.827 -5.675 -5.386 1.00 0.00 H new ATOM 0 HD12 ILE A 33 3.535 -3.922 -5.485 1.00 0.00 H new ATOM 0 HD13 ILE A 33 3.629 -4.720 -3.897 1.00 0.00 H new ATOM 444 N LEU A 34 -0.618 -1.570 -4.327 1.00 0.00 N ATOM 445 CA LEU A 34 -1.278 -0.410 -3.738 1.00 0.00 C ATOM 446 C LEU A 34 -0.607 0.884 -4.185 1.00 0.00 C ATOM 447 O LEU A 34 0.475 0.863 -4.771 1.00 0.00 O ATOM 448 CB LEU A 34 -1.258 -0.508 -2.212 1.00 0.00 C ATOM 449 CG LEU A 34 0.122 -0.632 -1.565 1.00 0.00 C ATOM 450 CD1 LEU A 34 0.761 0.739 -1.404 1.00 0.00 C ATOM 451 CD2 LEU A 34 0.020 -1.336 -0.220 1.00 0.00 C ATOM 0 H LEU A 34 0.314 -1.382 -4.696 1.00 0.00 H new ATOM 0 HA LEU A 34 -2.312 -0.398 -4.082 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -1.750 0.375 -1.805 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -1.855 -1.370 -1.916 1.00 0.00 H new ATOM 0 HG LEU A 34 0.756 -1.231 -2.219 1.00 0.00 H new ATOM 0 HD11 LEU A 34 1.742 0.631 -0.942 1.00 0.00 H new ATOM 0 HD12 LEU A 34 0.870 1.207 -2.382 1.00 0.00 H new ATOM 0 HD13 LEU A 34 0.129 1.363 -0.772 1.00 0.00 H new ATOM 0 HD21 LEU A 34 1.012 -1.415 0.225 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -0.630 -0.764 0.442 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -0.395 -2.334 -0.362 1.00 0.00 H new ATOM 463 N GLN A 35 -1.255 2.010 -3.903 1.00 0.00 N ATOM 464 CA GLN A 35 -0.720 3.314 -4.275 1.00 0.00 C ATOM 465 C GLN A 35 -0.357 4.126 -3.036 1.00 0.00 C ATOM 466 O GLN A 35 -1.200 4.370 -2.172 1.00 0.00 O ATOM 467 CB GLN A 35 -1.734 4.082 -5.124 1.00 0.00 C ATOM 468 CG GLN A 35 -1.294 5.496 -5.465 1.00 0.00 C ATOM 469 CD GLN A 35 -2.075 6.087 -6.622 1.00 0.00 C ATOM 470 OE1 GLN A 35 -3.261 5.804 -6.796 1.00 0.00 O ATOM 471 NE2 GLN A 35 -1.413 6.914 -7.423 1.00 0.00 N ATOM 0 H GLN A 35 -2.152 2.045 -3.418 1.00 0.00 H new ATOM 0 HA GLN A 35 0.185 3.154 -4.861 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -1.912 3.533 -6.049 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -2.684 4.124 -4.591 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -1.415 6.132 -4.588 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -0.232 5.492 -5.712 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -0.431 7.121 -7.243 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -1.887 7.342 -8.219 1.00 0.00 H new ATOM 480 N LEU A 36 0.902 4.544 -2.956 1.00 0.00 N ATOM 481 CA LEU A 36 1.377 5.330 -1.823 1.00 0.00 C ATOM 482 C LEU A 36 1.188 6.822 -2.077 1.00 0.00 C ATOM 483 O LEU A 36 1.887 7.415 -2.898 1.00 0.00 O ATOM 484 CB LEU A 36 2.852 5.030 -1.552 1.00 0.00 C ATOM 485 CG LEU A 36 3.232 3.551 -1.468 1.00 0.00 C ATOM 486 CD1 LEU A 36 4.699 3.357 -1.816 1.00 0.00 C ATOM 487 CD2 LEU A 36 2.934 3.002 -0.080 1.00 0.00 C ATOM 0 H LEU A 36 1.612 4.351 -3.663 1.00 0.00 H new ATOM 0 HA LEU A 36 0.789 5.052 -0.948 1.00 0.00 H new ATOM 0 HB2 LEU A 36 3.447 5.493 -2.339 1.00 0.00 H new ATOM 0 HB3 LEU A 36 3.134 5.511 -0.615 1.00 0.00 H new ATOM 0 HG LEU A 36 2.632 2.999 -2.192 1.00 0.00 H new ATOM 0 HD11 LEU A 36 4.951 2.299 -1.751 1.00 0.00 H new ATOM 0 HD12 LEU A 36 4.882 3.712 -2.830 1.00 0.00 H new ATOM 0 HD13 LEU A 36 5.316 3.921 -1.117 1.00 0.00 H new ATOM 0 HD21 LEU A 36 3.211 1.948 -0.038 1.00 0.00 H new ATOM 0 HD22 LEU A 36 3.508 3.557 0.662 1.00 0.00 H new ATOM 0 HD23 LEU A 36 1.870 3.106 0.132 1.00 0.00 H new ATOM 499 N ARG A 37 0.239 7.422 -1.366 1.00 0.00 N ATOM 500 CA ARG A 37 -0.041 8.846 -1.514 1.00 0.00 C ATOM 501 C ARG A 37 0.559 9.641 -0.359 1.00 0.00 C ATOM 502 O ARG A 37 0.405 9.275 0.806 1.00 0.00 O ATOM 503 CB ARG A 37 -1.550 9.085 -1.583 1.00 0.00 C ATOM 504 CG ARG A 37 -2.119 8.990 -2.989 1.00 0.00 C ATOM 505 CD ARG A 37 -1.699 10.178 -3.841 1.00 0.00 C ATOM 506 NE ARG A 37 -2.594 11.319 -3.670 1.00 0.00 N ATOM 507 CZ ARG A 37 -2.718 12.296 -4.561 1.00 0.00 C ATOM 508 NH1 ARG A 37 -2.008 12.271 -5.681 1.00 0.00 N ATOM 509 NH2 ARG A 37 -3.553 13.301 -4.333 1.00 0.00 N ATOM 0 H ARG A 37 -0.349 6.945 -0.682 1.00 0.00 H new ATOM 0 HA ARG A 37 0.417 9.187 -2.443 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -2.054 8.357 -0.947 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -1.772 10.072 -1.177 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -1.780 8.066 -3.458 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -3.207 8.942 -2.940 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -0.683 10.472 -3.577 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -1.683 9.884 -4.890 1.00 0.00 H new ATOM 0 HE ARG A 37 -3.155 11.368 -2.819 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -1.365 11.500 -5.860 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -2.105 13.023 -6.363 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -4.101 13.324 -3.473 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -3.648 14.051 -5.018 1.00 0.00 H new ATOM 523 N ALA A 38 1.245 10.730 -0.690 1.00 0.00 N ATOM 524 CA ALA A 38 1.867 11.578 0.319 1.00 0.00 C ATOM 525 C ALA A 38 0.985 12.778 0.648 1.00 0.00 C ATOM 526 O ALA A 38 1.481 13.881 0.874 1.00 0.00 O ATOM 527 CB ALA A 38 3.237 12.041 -0.152 1.00 0.00 C ATOM 0 H ALA A 38 1.384 11.046 -1.650 1.00 0.00 H new ATOM 0 HA ALA A 38 1.988 10.989 1.228 1.00 0.00 H new ATOM 0 HB1 ALA A 38 3.690 12.673 0.612 1.00 0.00 H new ATOM 0 HB2 ALA A 38 3.873 11.174 -0.329 1.00 0.00 H new ATOM 0 HB3 ALA A 38 3.131 12.608 -1.077 1.00 0.00 H new ATOM 533 N ALA A 39 -0.325 12.555 0.671 1.00 0.00 N ATOM 534 CA ALA A 39 -1.276 13.618 0.973 1.00 0.00 C ATOM 535 C ALA A 39 -0.761 14.512 2.097 1.00 0.00 C ATOM 536 O ALA A 39 -0.016 14.063 2.969 1.00 0.00 O ATOM 537 CB ALA A 39 -2.628 13.027 1.344 1.00 0.00 C ATOM 0 H ALA A 39 -0.752 11.648 0.484 1.00 0.00 H new ATOM 0 HA ALA A 39 -1.393 14.232 0.080 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -3.328 13.832 1.567 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -3.008 12.436 0.511 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -2.518 12.389 2.221 1.00 0.00 H new ATOM 543 N ASP A 40 -1.162 15.778 2.070 1.00 0.00 N ATOM 544 CA ASP A 40 -0.741 16.735 3.087 1.00 0.00 C ATOM 545 C ASP A 40 -1.943 17.272 3.857 1.00 0.00 C ATOM 546 O ASP A 40 -1.790 17.981 4.853 1.00 0.00 O ATOM 547 CB ASP A 40 0.026 17.891 2.443 1.00 0.00 C ATOM 548 CG ASP A 40 1.509 17.601 2.315 1.00 0.00 C ATOM 549 OD1 ASP A 40 2.020 16.765 3.090 1.00 0.00 O ATOM 550 OD2 ASP A 40 2.158 18.209 1.439 1.00 0.00 O ATOM 0 H ASP A 40 -1.778 16.166 1.355 1.00 0.00 H new ATOM 0 HA ASP A 40 -0.084 16.219 3.787 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -0.388 18.093 1.455 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -0.115 18.793 3.038 1.00 0.00 H new ATOM 555 N LEU A 41 -3.139 16.932 3.390 1.00 0.00 N ATOM 556 CA LEU A 41 -4.369 17.381 4.034 1.00 0.00 C ATOM 557 C LEU A 41 -4.456 18.904 4.039 1.00 0.00 C ATOM 558 O LEU A 41 -5.118 19.495 4.892 1.00 0.00 O ATOM 559 CB LEU A 41 -4.440 16.851 5.467 1.00 0.00 C ATOM 560 CG LEU A 41 -4.706 15.352 5.616 1.00 0.00 C ATOM 561 CD1 LEU A 41 -4.264 14.865 6.987 1.00 0.00 C ATOM 562 CD2 LEU A 41 -6.180 15.048 5.389 1.00 0.00 C ATOM 0 H LEU A 41 -3.284 16.347 2.567 1.00 0.00 H new ATOM 0 HA LEU A 41 -5.212 16.989 3.465 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -3.500 17.084 5.966 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -5.224 17.393 5.995 1.00 0.00 H new ATOM 0 HG LEU A 41 -4.125 14.822 4.861 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -4.461 13.797 7.075 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -3.197 15.049 7.112 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -4.817 15.400 7.759 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -6.352 13.977 5.499 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -6.780 15.589 6.121 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -6.465 15.360 4.384 1.00 0.00 H new ATOM 574 N ASP A 42 -3.787 19.533 3.079 1.00 0.00 N ATOM 575 CA ASP A 42 -3.791 20.987 2.970 1.00 0.00 C ATOM 576 C ASP A 42 -4.578 21.437 1.743 1.00 0.00 C ATOM 577 O ASP A 42 -4.456 22.579 1.298 1.00 0.00 O ATOM 578 CB ASP A 42 -2.359 21.519 2.897 1.00 0.00 C ATOM 579 CG ASP A 42 -2.285 23.014 3.131 1.00 0.00 C ATOM 580 OD1 ASP A 42 -2.183 23.426 4.305 1.00 0.00 O ATOM 581 OD2 ASP A 42 -2.328 23.774 2.140 1.00 0.00 O ATOM 0 H ASP A 42 -3.235 19.058 2.365 1.00 0.00 H new ATOM 0 HA ASP A 42 -4.275 21.392 3.859 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -1.746 21.007 3.639 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -1.937 21.286 1.919 1.00 0.00 H new ATOM 586 N VAL A 43 -5.385 20.532 1.198 1.00 0.00 N ATOM 587 CA VAL A 43 -6.191 20.836 0.022 1.00 0.00 C ATOM 588 C VAL A 43 -5.384 21.613 -1.012 1.00 0.00 C ATOM 589 O VAL A 43 -5.794 22.683 -1.459 1.00 0.00 O ATOM 590 CB VAL A 43 -7.444 21.649 0.396 1.00 0.00 C ATOM 591 CG1 VAL A 43 -8.490 21.554 -0.705 1.00 0.00 C ATOM 592 CG2 VAL A 43 -8.012 21.172 1.724 1.00 0.00 C ATOM 0 H VAL A 43 -5.498 19.582 1.552 1.00 0.00 H new ATOM 0 HA VAL A 43 -6.500 19.882 -0.405 1.00 0.00 H new ATOM 0 HB VAL A 43 -7.158 22.695 0.504 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -9.368 22.135 -0.423 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -8.077 21.948 -1.634 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -8.775 20.511 -0.848 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -8.897 21.758 1.973 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -8.284 20.119 1.646 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -7.263 21.297 2.506 1.00 0.00 H new ATOM 602 N GLY A 44 -4.233 21.065 -1.390 1.00 0.00 N ATOM 603 CA GLY A 44 -3.386 21.720 -2.369 1.00 0.00 C ATOM 604 C GLY A 44 -2.125 20.932 -2.665 1.00 0.00 C ATOM 605 O GLY A 44 -1.051 21.508 -2.841 1.00 0.00 O ATOM 0 H GLY A 44 -3.872 20.179 -1.036 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -3.947 21.862 -3.293 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -3.114 22.711 -2.005 1.00 0.00 H new ATOM 609 N VAL A 45 -2.254 19.610 -2.719 1.00 0.00 N ATOM 610 CA VAL A 45 -1.116 18.742 -2.995 1.00 0.00 C ATOM 611 C VAL A 45 -1.511 17.597 -3.921 1.00 0.00 C ATOM 612 O VAL A 45 -2.455 16.858 -3.643 1.00 0.00 O ATOM 613 CB VAL A 45 -0.527 18.158 -1.696 1.00 0.00 C ATOM 614 CG1 VAL A 45 -1.634 17.615 -0.805 1.00 0.00 C ATOM 615 CG2 VAL A 45 0.493 17.076 -2.014 1.00 0.00 C ATOM 0 H VAL A 45 -3.135 19.117 -2.575 1.00 0.00 H new ATOM 0 HA VAL A 45 -0.360 19.357 -3.483 1.00 0.00 H new ATOM 0 HB VAL A 45 -0.018 18.957 -1.156 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -1.199 17.207 0.107 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -2.323 18.420 -0.550 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -2.173 16.829 -1.333 1.00 0.00 H new ATOM 0 HG21 VAL A 45 0.899 16.674 -1.086 1.00 0.00 H new ATOM 0 HG22 VAL A 45 0.011 16.276 -2.576 1.00 0.00 H new ATOM 0 HG23 VAL A 45 1.301 17.501 -2.609 1.00 0.00 H new ATOM 625 N ASN A 46 -0.780 17.455 -5.022 1.00 0.00 N ATOM 626 CA ASN A 46 -1.054 16.399 -5.990 1.00 0.00 C ATOM 627 C ASN A 46 -0.196 15.169 -5.710 1.00 0.00 C ATOM 628 O ASN A 46 0.298 14.520 -6.632 1.00 0.00 O ATOM 629 CB ASN A 46 -0.796 16.902 -7.411 1.00 0.00 C ATOM 630 CG ASN A 46 -1.750 18.009 -7.816 1.00 0.00 C ATOM 631 OD1 ASN A 46 -2.954 17.925 -7.572 1.00 0.00 O ATOM 632 ND2 ASN A 46 -1.216 19.053 -8.437 1.00 0.00 N ATOM 0 H ASN A 46 0.006 18.057 -5.266 1.00 0.00 H new ATOM 0 HA ASN A 46 -2.103 16.117 -5.896 1.00 0.00 H new ATOM 0 HB2 ASN A 46 0.229 17.265 -7.484 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -0.891 16.071 -8.110 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -1.809 19.828 -8.733 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -0.213 19.080 -8.618 1.00 0.00 H new ATOM 639 N GLY A 47 -0.023 14.853 -4.430 1.00 0.00 N ATOM 640 CA GLY A 47 0.775 13.702 -4.051 1.00 0.00 C ATOM 641 C GLY A 47 1.969 13.498 -4.963 1.00 0.00 C ATOM 642 O GLY A 47 2.107 12.448 -5.589 1.00 0.00 O ATOM 0 H GLY A 47 -0.421 15.374 -3.649 1.00 0.00 H new ATOM 0 HA2 GLY A 47 1.122 13.826 -3.025 1.00 0.00 H new ATOM 0 HA3 GLY A 47 0.151 12.809 -4.070 1.00 0.00 H new ATOM 646 N GLN A 48 2.832 14.506 -5.039 1.00 0.00 N ATOM 647 CA GLN A 48 4.018 14.433 -5.883 1.00 0.00 C ATOM 648 C GLN A 48 5.279 14.283 -5.038 1.00 0.00 C ATOM 649 O GLN A 48 6.006 15.252 -4.814 1.00 0.00 O ATOM 650 CB GLN A 48 4.123 15.681 -6.761 1.00 0.00 C ATOM 651 CG GLN A 48 3.711 16.960 -6.051 1.00 0.00 C ATOM 652 CD GLN A 48 3.896 18.193 -6.914 1.00 0.00 C ATOM 653 OE1 GLN A 48 3.563 18.191 -8.100 1.00 0.00 O ATOM 654 NE2 GLN A 48 4.432 19.254 -6.323 1.00 0.00 N ATOM 0 H GLN A 48 2.732 15.382 -4.527 1.00 0.00 H new ATOM 0 HA GLN A 48 3.925 13.555 -6.522 1.00 0.00 H new ATOM 0 HB2 GLN A 48 5.150 15.784 -7.110 1.00 0.00 H new ATOM 0 HB3 GLN A 48 3.498 15.548 -7.644 1.00 0.00 H new ATOM 0 HG2 GLN A 48 2.666 16.884 -5.752 1.00 0.00 H new ATOM 0 HG3 GLN A 48 4.297 17.069 -5.138 1.00 0.00 H new ATOM 0 HE21 GLN A 48 4.693 19.211 -5.338 1.00 0.00 H new ATOM 0 HE22 GLN A 48 4.583 20.112 -6.854 1.00 0.00 H new ATOM 663 N ILE A 49 5.532 13.065 -4.572 1.00 0.00 N ATOM 664 CA ILE A 49 6.706 12.790 -3.753 1.00 0.00 C ATOM 665 C ILE A 49 7.443 11.550 -4.247 1.00 0.00 C ATOM 666 O ILE A 49 6.823 10.560 -4.632 1.00 0.00 O ATOM 667 CB ILE A 49 6.326 12.591 -2.274 1.00 0.00 C ATOM 668 CG1 ILE A 49 5.456 13.752 -1.788 1.00 0.00 C ATOM 669 CG2 ILE A 49 7.577 12.466 -1.417 1.00 0.00 C ATOM 670 CD1 ILE A 49 6.125 15.103 -1.914 1.00 0.00 C ATOM 0 H ILE A 49 4.940 12.253 -4.747 1.00 0.00 H new ATOM 0 HA ILE A 49 7.361 13.657 -3.839 1.00 0.00 H new ATOM 0 HB ILE A 49 5.753 11.668 -2.183 1.00 0.00 H new ATOM 0 HG12 ILE A 49 4.526 13.762 -2.357 1.00 0.00 H new ATOM 0 HG13 ILE A 49 5.189 13.584 -0.745 1.00 0.00 H new ATOM 0 HG21 ILE A 49 7.291 12.326 -0.374 1.00 0.00 H new ATOM 0 HG22 ILE A 49 8.163 11.610 -1.751 1.00 0.00 H new ATOM 0 HG23 ILE A 49 8.174 13.373 -1.511 1.00 0.00 H new ATOM 0 HD11 ILE A 49 5.450 15.878 -1.551 1.00 0.00 H new ATOM 0 HD12 ILE A 49 7.040 15.112 -1.322 1.00 0.00 H new ATOM 0 HD13 ILE A 49 6.367 15.293 -2.960 1.00 0.00 H new ATOM 682 N GLU A 50 8.771 11.613 -4.232 1.00 0.00 N ATOM 683 CA GLU A 50 9.593 10.494 -4.679 1.00 0.00 C ATOM 684 C GLU A 50 9.428 9.293 -3.751 1.00 0.00 C ATOM 685 O GLU A 50 9.910 9.299 -2.618 1.00 0.00 O ATOM 686 CB GLU A 50 11.065 10.906 -4.740 1.00 0.00 C ATOM 687 CG GLU A 50 11.324 12.109 -5.631 1.00 0.00 C ATOM 688 CD GLU A 50 12.802 12.370 -5.845 1.00 0.00 C ATOM 689 OE1 GLU A 50 13.383 11.763 -6.770 1.00 0.00 O ATOM 690 OE2 GLU A 50 13.378 13.179 -5.088 1.00 0.00 O ATOM 0 H GLU A 50 9.300 12.426 -3.916 1.00 0.00 H new ATOM 0 HA GLU A 50 9.261 10.209 -5.677 1.00 0.00 H new ATOM 0 HB2 GLU A 50 11.413 11.130 -3.732 1.00 0.00 H new ATOM 0 HB3 GLU A 50 11.655 10.063 -5.101 1.00 0.00 H new ATOM 0 HG2 GLU A 50 10.843 11.951 -6.597 1.00 0.00 H new ATOM 0 HG3 GLU A 50 10.864 12.991 -5.186 1.00 0.00 H new ATOM 697 N TYR A 51 8.742 8.266 -4.240 1.00 0.00 N ATOM 698 CA TYR A 51 8.510 7.059 -3.455 1.00 0.00 C ATOM 699 C TYR A 51 9.541 5.985 -3.789 1.00 0.00 C ATOM 700 O TYR A 51 9.272 5.071 -4.569 1.00 0.00 O ATOM 701 CB TYR A 51 7.100 6.524 -3.707 1.00 0.00 C ATOM 702 CG TYR A 51 6.015 7.557 -3.499 1.00 0.00 C ATOM 703 CD1 TYR A 51 5.620 7.930 -2.220 1.00 0.00 C ATOM 704 CD2 TYR A 51 5.385 8.159 -4.580 1.00 0.00 C ATOM 705 CE1 TYR A 51 4.628 8.871 -2.024 1.00 0.00 C ATOM 706 CE2 TYR A 51 4.393 9.104 -4.395 1.00 0.00 C ATOM 707 CZ TYR A 51 4.018 9.456 -3.115 1.00 0.00 C ATOM 708 OH TYR A 51 3.031 10.395 -2.924 1.00 0.00 O ATOM 0 H TYR A 51 8.337 8.245 -5.176 1.00 0.00 H new ATOM 0 HA TYR A 51 8.610 7.318 -2.401 1.00 0.00 H new ATOM 0 HB2 TYR A 51 7.040 6.147 -4.728 1.00 0.00 H new ATOM 0 HB3 TYR A 51 6.917 5.678 -3.044 1.00 0.00 H new ATOM 0 HD1 TYR A 51 6.097 7.476 -1.364 1.00 0.00 H new ATOM 0 HD2 TYR A 51 5.675 7.884 -5.583 1.00 0.00 H new ATOM 0 HE1 TYR A 51 4.332 9.147 -1.023 1.00 0.00 H new ATOM 0 HE2 TYR A 51 3.915 9.564 -5.247 1.00 0.00 H new ATOM 0 HH TYR A 51 2.706 10.709 -3.793 1.00 0.00 H new ATOM 718 N VAL A 52 10.723 6.102 -3.193 1.00 0.00 N ATOM 719 CA VAL A 52 11.795 5.141 -3.425 1.00 0.00 C ATOM 720 C VAL A 52 11.869 4.117 -2.297 1.00 0.00 C ATOM 721 O VAL A 52 11.397 4.365 -1.187 1.00 0.00 O ATOM 722 CB VAL A 52 13.159 5.843 -3.556 1.00 0.00 C ATOM 723 CG1 VAL A 52 13.195 6.713 -4.803 1.00 0.00 C ATOM 724 CG2 VAL A 52 13.456 6.668 -2.312 1.00 0.00 C ATOM 0 H VAL A 52 10.963 6.853 -2.546 1.00 0.00 H new ATOM 0 HA VAL A 52 11.566 4.631 -4.361 1.00 0.00 H new ATOM 0 HB VAL A 52 13.932 5.080 -3.652 1.00 0.00 H new ATOM 0 HG11 VAL A 52 14.167 7.201 -4.878 1.00 0.00 H new ATOM 0 HG12 VAL A 52 13.031 6.093 -5.684 1.00 0.00 H new ATOM 0 HG13 VAL A 52 12.413 7.470 -4.741 1.00 0.00 H new ATOM 0 HG21 VAL A 52 14.424 7.157 -2.422 1.00 0.00 H new ATOM 0 HG22 VAL A 52 12.681 7.423 -2.182 1.00 0.00 H new ATOM 0 HG23 VAL A 52 13.476 6.016 -1.439 1.00 0.00 H new ATOM 734 N PHE A 53 12.464 2.966 -2.589 1.00 0.00 N ATOM 735 CA PHE A 53 12.600 1.903 -1.600 1.00 0.00 C ATOM 736 C PHE A 53 13.489 2.348 -0.442 1.00 0.00 C ATOM 737 O PHE A 53 14.714 2.347 -0.550 1.00 0.00 O ATOM 738 CB PHE A 53 13.179 0.644 -2.249 1.00 0.00 C ATOM 739 CG PHE A 53 12.132 -0.294 -2.777 1.00 0.00 C ATOM 740 CD1 PHE A 53 11.332 -1.020 -1.910 1.00 0.00 C ATOM 741 CD2 PHE A 53 11.949 -0.450 -4.142 1.00 0.00 C ATOM 742 CE1 PHE A 53 10.368 -1.884 -2.393 1.00 0.00 C ATOM 743 CE2 PHE A 53 10.986 -1.312 -4.631 1.00 0.00 C ATOM 744 CZ PHE A 53 10.195 -2.031 -3.755 1.00 0.00 C ATOM 0 H PHE A 53 12.860 2.745 -3.503 1.00 0.00 H new ATOM 0 HA PHE A 53 11.609 1.677 -1.207 1.00 0.00 H new ATOM 0 HB2 PHE A 53 13.838 0.937 -3.066 1.00 0.00 H new ATOM 0 HB3 PHE A 53 13.792 0.117 -1.518 1.00 0.00 H new ATOM 0 HD1 PHE A 53 11.463 -0.909 -0.844 1.00 0.00 H new ATOM 0 HD2 PHE A 53 12.566 0.108 -4.831 1.00 0.00 H new ATOM 0 HE1 PHE A 53 9.751 -2.444 -1.706 1.00 0.00 H new ATOM 0 HE2 PHE A 53 10.852 -1.424 -5.697 1.00 0.00 H new ATOM 0 HZ PHE A 53 9.443 -2.707 -4.135 1.00 0.00 H new ATOM 754 N GLY A 54 12.861 2.728 0.667 1.00 0.00 N ATOM 755 CA GLY A 54 13.609 3.170 1.828 1.00 0.00 C ATOM 756 C GLY A 54 14.544 2.101 2.358 1.00 0.00 C ATOM 757 O GLY A 54 15.721 2.064 2.001 1.00 0.00 O ATOM 0 H GLY A 54 11.847 2.737 0.781 1.00 0.00 H new ATOM 0 HA2 GLY A 54 14.187 4.057 1.568 1.00 0.00 H new ATOM 0 HA3 GLY A 54 12.913 3.462 2.615 1.00 0.00 H new ATOM 761 N ALA A 55 14.019 1.229 3.213 1.00 0.00 N ATOM 762 CA ALA A 55 14.814 0.154 3.793 1.00 0.00 C ATOM 763 C ALA A 55 14.312 -1.210 3.332 1.00 0.00 C ATOM 764 O ALA A 55 13.641 -1.920 4.080 1.00 0.00 O ATOM 765 CB ALA A 55 14.793 0.241 5.312 1.00 0.00 C ATOM 0 H ALA A 55 13.046 1.246 3.519 1.00 0.00 H new ATOM 0 HA ALA A 55 15.842 0.269 3.448 1.00 0.00 H new ATOM 0 HB1 ALA A 55 15.391 -0.568 5.731 1.00 0.00 H new ATOM 0 HB2 ALA A 55 15.207 1.199 5.627 1.00 0.00 H new ATOM 0 HB3 ALA A 55 13.766 0.155 5.667 1.00 0.00 H new ATOM 771 N ALA A 56 14.641 -1.569 2.095 1.00 0.00 N ATOM 772 CA ALA A 56 14.225 -2.849 1.536 1.00 0.00 C ATOM 773 C ALA A 56 15.415 -3.787 1.364 1.00 0.00 C ATOM 774 O ALA A 56 16.542 -3.451 1.730 1.00 0.00 O ATOM 775 CB ALA A 56 13.520 -2.638 0.204 1.00 0.00 C ATOM 0 H ALA A 56 15.194 -0.992 1.462 1.00 0.00 H new ATOM 0 HA ALA A 56 13.529 -3.313 2.234 1.00 0.00 H new ATOM 0 HB1 ALA A 56 13.214 -3.602 -0.203 1.00 0.00 H new ATOM 0 HB2 ALA A 56 12.640 -2.012 0.353 1.00 0.00 H new ATOM 0 HB3 ALA A 56 14.200 -2.149 -0.494 1.00 0.00 H new ATOM 781 N THR A 57 15.158 -4.966 0.806 1.00 0.00 N ATOM 782 CA THR A 57 16.207 -5.953 0.588 1.00 0.00 C ATOM 783 C THR A 57 16.481 -6.146 -0.899 1.00 0.00 C ATOM 784 O THR A 57 15.637 -5.835 -1.739 1.00 0.00 O ATOM 785 CB THR A 57 15.838 -7.313 1.211 1.00 0.00 C ATOM 786 OG1 THR A 57 14.748 -7.901 0.491 1.00 0.00 O ATOM 787 CG2 THR A 57 15.457 -7.152 2.675 1.00 0.00 C ATOM 0 H THR A 57 14.232 -5.260 0.497 1.00 0.00 H new ATOM 0 HA THR A 57 17.105 -5.571 1.073 1.00 0.00 H new ATOM 0 HB THR A 57 16.709 -7.965 1.148 1.00 0.00 H new ATOM 0 HG1 THR A 57 14.520 -8.766 0.892 1.00 0.00 H new ATOM 0 HG21 THR A 57 15.200 -8.125 3.093 1.00 0.00 H new ATOM 0 HG22 THR A 57 16.298 -6.731 3.226 1.00 0.00 H new ATOM 0 HG23 THR A 57 14.599 -6.485 2.756 1.00 0.00 H new ATOM 795 N GLU A 58 17.665 -6.661 -1.217 1.00 0.00 N ATOM 796 CA GLU A 58 18.048 -6.894 -2.604 1.00 0.00 C ATOM 797 C GLU A 58 16.975 -7.693 -3.338 1.00 0.00 C ATOM 798 O GLU A 58 16.752 -7.501 -4.534 1.00 0.00 O ATOM 799 CB GLU A 58 19.385 -7.635 -2.669 1.00 0.00 C ATOM 800 CG GLU A 58 19.376 -8.972 -1.947 1.00 0.00 C ATOM 801 CD GLU A 58 20.730 -9.654 -1.965 1.00 0.00 C ATOM 802 OE1 GLU A 58 21.373 -9.666 -3.036 1.00 0.00 O ATOM 803 OE2 GLU A 58 21.146 -10.176 -0.910 1.00 0.00 O ATOM 0 H GLU A 58 18.375 -6.924 -0.533 1.00 0.00 H new ATOM 0 HA GLU A 58 18.153 -5.925 -3.093 1.00 0.00 H new ATOM 0 HB2 GLU A 58 19.650 -7.798 -3.714 1.00 0.00 H new ATOM 0 HB3 GLU A 58 20.162 -7.004 -2.237 1.00 0.00 H new ATOM 0 HG2 GLU A 58 19.063 -8.821 -0.914 1.00 0.00 H new ATOM 0 HG3 GLU A 58 18.638 -9.626 -2.411 1.00 0.00 H new ATOM 810 N SER A 59 16.313 -8.589 -2.613 1.00 0.00 N ATOM 811 CA SER A 59 15.267 -9.421 -3.196 1.00 0.00 C ATOM 812 C SER A 59 14.004 -8.604 -3.453 1.00 0.00 C ATOM 813 O SER A 59 13.660 -8.315 -4.599 1.00 0.00 O ATOM 814 CB SER A 59 14.947 -10.597 -2.271 1.00 0.00 C ATOM 815 OG SER A 59 15.805 -11.696 -2.529 1.00 0.00 O ATOM 0 H SER A 59 16.482 -8.757 -1.621 1.00 0.00 H new ATOM 0 HA SER A 59 15.631 -9.805 -4.149 1.00 0.00 H new ATOM 0 HB2 SER A 59 15.052 -10.286 -1.232 1.00 0.00 H new ATOM 0 HB3 SER A 59 13.909 -10.901 -2.409 1.00 0.00 H new ATOM 0 HG SER A 59 15.582 -12.434 -1.924 1.00 0.00 H new ATOM 821 N VAL A 60 13.316 -8.235 -2.377 1.00 0.00 N ATOM 822 CA VAL A 60 12.092 -7.451 -2.484 1.00 0.00 C ATOM 823 C VAL A 60 12.209 -6.396 -3.578 1.00 0.00 C ATOM 824 O VAL A 60 11.207 -5.961 -4.146 1.00 0.00 O ATOM 825 CB VAL A 60 11.751 -6.757 -1.152 1.00 0.00 C ATOM 826 CG1 VAL A 60 10.602 -5.778 -1.338 1.00 0.00 C ATOM 827 CG2 VAL A 60 11.416 -7.788 -0.085 1.00 0.00 C ATOM 0 H VAL A 60 13.586 -8.467 -1.421 1.00 0.00 H new ATOM 0 HA VAL A 60 11.292 -8.147 -2.738 1.00 0.00 H new ATOM 0 HB VAL A 60 12.625 -6.196 -0.821 1.00 0.00 H new ATOM 0 HG11 VAL A 60 10.376 -5.298 -0.386 1.00 0.00 H new ATOM 0 HG12 VAL A 60 10.884 -5.020 -2.069 1.00 0.00 H new ATOM 0 HG13 VAL A 60 9.721 -6.314 -1.693 1.00 0.00 H new ATOM 0 HG21 VAL A 60 11.178 -7.280 0.850 1.00 0.00 H new ATOM 0 HG22 VAL A 60 10.558 -8.378 -0.406 1.00 0.00 H new ATOM 0 HG23 VAL A 60 12.272 -8.445 0.067 1.00 0.00 H new ATOM 837 N ARG A 61 13.440 -5.988 -3.870 1.00 0.00 N ATOM 838 CA ARG A 61 13.689 -4.982 -4.896 1.00 0.00 C ATOM 839 C ARG A 61 13.403 -5.543 -6.286 1.00 0.00 C ATOM 840 O ARG A 61 12.739 -4.902 -7.101 1.00 0.00 O ATOM 841 CB ARG A 61 15.136 -4.492 -4.819 1.00 0.00 C ATOM 842 CG ARG A 61 15.391 -3.524 -3.675 1.00 0.00 C ATOM 843 CD ARG A 61 16.868 -3.188 -3.549 1.00 0.00 C ATOM 844 NE ARG A 61 17.122 -2.235 -2.472 1.00 0.00 N ATOM 845 CZ ARG A 61 18.340 -1.894 -2.064 1.00 0.00 C ATOM 846 NH1 ARG A 61 19.409 -2.426 -2.641 1.00 0.00 N ATOM 847 NH2 ARG A 61 18.490 -1.019 -1.078 1.00 0.00 N ATOM 0 H ARG A 61 14.280 -6.339 -3.411 1.00 0.00 H new ATOM 0 HA ARG A 61 13.019 -4.141 -4.717 1.00 0.00 H new ATOM 0 HB2 ARG A 61 15.797 -5.352 -4.710 1.00 0.00 H new ATOM 0 HB3 ARG A 61 15.397 -4.007 -5.759 1.00 0.00 H new ATOM 0 HG2 ARG A 61 14.821 -2.609 -3.837 1.00 0.00 H new ATOM 0 HG3 ARG A 61 15.035 -3.960 -2.742 1.00 0.00 H new ATOM 0 HD2 ARG A 61 17.433 -4.102 -3.365 1.00 0.00 H new ATOM 0 HD3 ARG A 61 17.227 -2.775 -4.491 1.00 0.00 H new ATOM 0 HE ARG A 61 16.321 -1.808 -2.007 1.00 0.00 H new ATOM 0 HH11 ARG A 61 19.297 -3.099 -3.400 1.00 0.00 H new ATOM 0 HH12 ARG A 61 20.343 -2.163 -2.326 1.00 0.00 H new ATOM 0 HH21 ARG A 61 17.670 -0.607 -0.632 1.00 0.00 H new ATOM 0 HH22 ARG A 61 19.425 -0.758 -0.766 1.00 0.00 H new ATOM 861 N ARG A 62 13.911 -6.743 -6.550 1.00 0.00 N ATOM 862 CA ARG A 62 13.712 -7.388 -7.842 1.00 0.00 C ATOM 863 C ARG A 62 12.377 -8.127 -7.881 1.00 0.00 C ATOM 864 O ARG A 62 11.768 -8.275 -8.942 1.00 0.00 O ATOM 865 CB ARG A 62 14.855 -8.363 -8.130 1.00 0.00 C ATOM 866 CG ARG A 62 14.921 -9.530 -7.158 1.00 0.00 C ATOM 867 CD ARG A 62 16.151 -10.390 -7.402 1.00 0.00 C ATOM 868 NE ARG A 62 15.962 -11.309 -8.521 1.00 0.00 N ATOM 869 CZ ARG A 62 16.885 -12.175 -8.924 1.00 0.00 C ATOM 870 NH1 ARG A 62 18.054 -12.241 -8.303 1.00 0.00 N ATOM 871 NH2 ARG A 62 16.639 -12.979 -9.951 1.00 0.00 N ATOM 0 H ARG A 62 14.463 -7.287 -5.887 1.00 0.00 H new ATOM 0 HA ARG A 62 13.702 -6.614 -8.609 1.00 0.00 H new ATOM 0 HB2 ARG A 62 14.744 -8.751 -9.143 1.00 0.00 H new ATOM 0 HB3 ARG A 62 15.800 -7.821 -8.098 1.00 0.00 H new ATOM 0 HG2 ARG A 62 14.937 -9.153 -6.136 1.00 0.00 H new ATOM 0 HG3 ARG A 62 14.023 -10.140 -7.259 1.00 0.00 H new ATOM 0 HD2 ARG A 62 17.009 -9.748 -7.601 1.00 0.00 H new ATOM 0 HD3 ARG A 62 16.381 -10.958 -6.501 1.00 0.00 H new ATOM 0 HE ARG A 62 15.073 -11.285 -9.020 1.00 0.00 H new ATOM 0 HH11 ARG A 62 18.247 -11.626 -7.513 1.00 0.00 H new ATOM 0 HH12 ARG A 62 18.760 -12.907 -8.615 1.00 0.00 H new ATOM 0 HH21 ARG A 62 15.741 -12.932 -10.432 1.00 0.00 H new ATOM 0 HH22 ARG A 62 17.348 -13.644 -10.260 1.00 0.00 H new ATOM 885 N LEU A 63 11.929 -8.590 -6.720 1.00 0.00 N ATOM 886 CA LEU A 63 10.667 -9.314 -6.620 1.00 0.00 C ATOM 887 C LEU A 63 9.482 -8.360 -6.727 1.00 0.00 C ATOM 888 O LEU A 63 8.424 -8.722 -7.243 1.00 0.00 O ATOM 889 CB LEU A 63 10.600 -10.083 -5.300 1.00 0.00 C ATOM 890 CG LEU A 63 9.221 -10.605 -4.896 1.00 0.00 C ATOM 891 CD1 LEU A 63 8.744 -11.668 -5.874 1.00 0.00 C ATOM 892 CD2 LEU A 63 9.253 -11.158 -3.478 1.00 0.00 C ATOM 0 H LEU A 63 12.421 -8.477 -5.834 1.00 0.00 H new ATOM 0 HA LEU A 63 10.616 -10.021 -7.448 1.00 0.00 H new ATOM 0 HB2 LEU A 63 11.283 -10.930 -5.361 1.00 0.00 H new ATOM 0 HB3 LEU A 63 10.968 -9.434 -4.505 1.00 0.00 H new ATOM 0 HG LEU A 63 8.517 -9.773 -4.924 1.00 0.00 H new ATOM 0 HD11 LEU A 63 7.761 -12.027 -5.570 1.00 0.00 H new ATOM 0 HD12 LEU A 63 8.680 -11.240 -6.874 1.00 0.00 H new ATOM 0 HD13 LEU A 63 9.449 -12.500 -5.880 1.00 0.00 H new ATOM 0 HD21 LEU A 63 8.263 -11.525 -3.208 1.00 0.00 H new ATOM 0 HD22 LEU A 63 9.971 -11.977 -3.423 1.00 0.00 H new ATOM 0 HD23 LEU A 63 9.549 -10.369 -2.786 1.00 0.00 H new ATOM 904 N LEU A 64 9.666 -7.139 -6.237 1.00 0.00 N ATOM 905 CA LEU A 64 8.613 -6.131 -6.279 1.00 0.00 C ATOM 906 C LEU A 64 9.122 -4.837 -6.906 1.00 0.00 C ATOM 907 O LEU A 64 10.276 -4.453 -6.711 1.00 0.00 O ATOM 908 CB LEU A 64 8.087 -5.855 -4.869 1.00 0.00 C ATOM 909 CG LEU A 64 7.413 -7.031 -4.162 1.00 0.00 C ATOM 910 CD1 LEU A 64 7.609 -6.934 -2.657 1.00 0.00 C ATOM 911 CD2 LEU A 64 5.932 -7.083 -4.506 1.00 0.00 C ATOM 0 H LEU A 64 10.535 -6.823 -5.806 1.00 0.00 H new ATOM 0 HA LEU A 64 7.800 -6.516 -6.895 1.00 0.00 H new ATOM 0 HB2 LEU A 64 8.919 -5.515 -4.253 1.00 0.00 H new ATOM 0 HB3 LEU A 64 7.374 -5.033 -4.923 1.00 0.00 H new ATOM 0 HG LEU A 64 7.879 -7.953 -4.509 1.00 0.00 H new ATOM 0 HD11 LEU A 64 7.122 -7.780 -2.171 1.00 0.00 H new ATOM 0 HD12 LEU A 64 8.674 -6.948 -2.427 1.00 0.00 H new ATOM 0 HD13 LEU A 64 7.171 -6.005 -2.292 1.00 0.00 H new ATOM 0 HD21 LEU A 64 5.469 -7.926 -3.994 1.00 0.00 H new ATOM 0 HD22 LEU A 64 5.452 -6.157 -4.188 1.00 0.00 H new ATOM 0 HD23 LEU A 64 5.813 -7.203 -5.583 1.00 0.00 H new ATOM 923 N ARG A 65 8.254 -4.167 -7.657 1.00 0.00 N ATOM 924 CA ARG A 65 8.616 -2.916 -8.312 1.00 0.00 C ATOM 925 C ARG A 65 7.865 -1.741 -7.691 1.00 0.00 C ATOM 926 O ARG A 65 6.680 -1.846 -7.371 1.00 0.00 O ATOM 927 CB ARG A 65 8.314 -2.994 -9.809 1.00 0.00 C ATOM 928 CG ARG A 65 8.503 -1.673 -10.538 1.00 0.00 C ATOM 929 CD ARG A 65 8.453 -1.857 -12.047 1.00 0.00 C ATOM 930 NE ARG A 65 8.330 -0.582 -12.749 1.00 0.00 N ATOM 931 CZ ARG A 65 9.354 0.234 -12.974 1.00 0.00 C ATOM 932 NH1 ARG A 65 10.569 -0.090 -12.555 1.00 0.00 N ATOM 933 NH2 ARG A 65 9.163 1.376 -13.621 1.00 0.00 N ATOM 0 H ARG A 65 7.295 -4.470 -7.827 1.00 0.00 H new ATOM 0 HA ARG A 65 9.685 -2.757 -8.172 1.00 0.00 H new ATOM 0 HB2 ARG A 65 8.960 -3.745 -10.263 1.00 0.00 H new ATOM 0 HB3 ARG A 65 7.287 -3.332 -9.947 1.00 0.00 H new ATOM 0 HG2 ARG A 65 7.727 -0.972 -10.230 1.00 0.00 H new ATOM 0 HG3 ARG A 65 9.460 -1.234 -10.255 1.00 0.00 H new ATOM 0 HD2 ARG A 65 9.356 -2.369 -12.380 1.00 0.00 H new ATOM 0 HD3 ARG A 65 7.610 -2.497 -12.307 1.00 0.00 H new ATOM 0 HE ARG A 65 7.408 -0.303 -13.085 1.00 0.00 H new ATOM 0 HH11 ARG A 65 10.720 -0.968 -12.058 1.00 0.00 H new ATOM 0 HH12 ARG A 65 11.353 0.539 -12.729 1.00 0.00 H new ATOM 0 HH21 ARG A 65 8.230 1.628 -13.946 1.00 0.00 H new ATOM 0 HH22 ARG A 65 9.950 2.002 -13.793 1.00 0.00 H new ATOM 947 N LEU A 66 8.563 -0.623 -7.523 1.00 0.00 N ATOM 948 CA LEU A 66 7.963 0.572 -6.940 1.00 0.00 C ATOM 949 C LEU A 66 8.337 1.815 -7.741 1.00 0.00 C ATOM 950 O LEU A 66 9.504 2.025 -8.071 1.00 0.00 O ATOM 951 CB LEU A 66 8.411 0.735 -5.487 1.00 0.00 C ATOM 952 CG LEU A 66 8.171 2.109 -4.860 1.00 0.00 C ATOM 953 CD1 LEU A 66 6.698 2.298 -4.536 1.00 0.00 C ATOM 954 CD2 LEU A 66 9.020 2.280 -3.609 1.00 0.00 C ATOM 0 H LEU A 66 9.544 -0.519 -7.782 1.00 0.00 H new ATOM 0 HA LEU A 66 6.880 0.455 -6.969 1.00 0.00 H new ATOM 0 HB2 LEU A 66 7.896 -0.012 -4.883 1.00 0.00 H new ATOM 0 HB3 LEU A 66 9.477 0.513 -5.429 1.00 0.00 H new ATOM 0 HG LEU A 66 8.464 2.872 -5.581 1.00 0.00 H new ATOM 0 HD11 LEU A 66 6.547 3.281 -4.091 1.00 0.00 H new ATOM 0 HD12 LEU A 66 6.111 2.220 -5.451 1.00 0.00 H new ATOM 0 HD13 LEU A 66 6.378 1.528 -3.833 1.00 0.00 H new ATOM 0 HD21 LEU A 66 8.836 3.263 -3.176 1.00 0.00 H new ATOM 0 HD22 LEU A 66 8.758 1.510 -2.884 1.00 0.00 H new ATOM 0 HD23 LEU A 66 10.074 2.190 -3.870 1.00 0.00 H new ATOM 966 N ASP A 67 7.339 2.637 -8.049 1.00 0.00 N ATOM 967 CA ASP A 67 7.564 3.861 -8.809 1.00 0.00 C ATOM 968 C ASP A 67 7.693 5.062 -7.878 1.00 0.00 C ATOM 969 O ASP A 67 7.269 5.013 -6.724 1.00 0.00 O ATOM 970 CB ASP A 67 6.421 4.089 -9.799 1.00 0.00 C ATOM 971 CG ASP A 67 6.612 3.318 -11.091 1.00 0.00 C ATOM 972 OD1 ASP A 67 6.640 2.071 -11.038 1.00 0.00 O ATOM 973 OD2 ASP A 67 6.734 3.962 -12.154 1.00 0.00 O ATOM 0 H ASP A 67 6.367 2.478 -7.784 1.00 0.00 H new ATOM 0 HA ASP A 67 8.497 3.750 -9.362 1.00 0.00 H new ATOM 0 HB2 ASP A 67 5.479 3.791 -9.337 1.00 0.00 H new ATOM 0 HB3 ASP A 67 6.344 5.153 -10.022 1.00 0.00 H new ATOM 978 N GLU A 68 8.282 6.139 -8.387 1.00 0.00 N ATOM 979 CA GLU A 68 8.469 7.352 -7.600 1.00 0.00 C ATOM 980 C GLU A 68 7.801 8.547 -8.274 1.00 0.00 C ATOM 981 O GLU A 68 7.397 9.504 -7.612 1.00 0.00 O ATOM 982 CB GLU A 68 9.960 7.633 -7.400 1.00 0.00 C ATOM 983 CG GLU A 68 10.599 8.379 -8.560 1.00 0.00 C ATOM 984 CD GLU A 68 10.752 7.514 -9.796 1.00 0.00 C ATOM 985 OE1 GLU A 68 9.739 7.287 -10.490 1.00 0.00 O ATOM 986 OE2 GLU A 68 11.884 7.063 -10.069 1.00 0.00 O ATOM 0 H GLU A 68 8.638 6.196 -9.341 1.00 0.00 H new ATOM 0 HA GLU A 68 8.002 7.198 -6.627 1.00 0.00 H new ATOM 0 HB2 GLU A 68 10.092 8.215 -6.488 1.00 0.00 H new ATOM 0 HB3 GLU A 68 10.483 6.688 -7.254 1.00 0.00 H new ATOM 0 HG2 GLU A 68 9.993 9.251 -8.804 1.00 0.00 H new ATOM 0 HG3 GLU A 68 11.579 8.747 -8.255 1.00 0.00 H new ATOM 993 N THR A 69 7.687 8.485 -9.597 1.00 0.00 N ATOM 994 CA THR A 69 7.070 9.561 -10.363 1.00 0.00 C ATOM 995 C THR A 69 5.560 9.584 -10.160 1.00 0.00 C ATOM 996 O THR A 69 4.923 10.631 -10.281 1.00 0.00 O ATOM 997 CB THR A 69 7.373 9.425 -11.867 1.00 0.00 C ATOM 998 OG1 THR A 69 6.722 10.474 -12.594 1.00 0.00 O ATOM 999 CG2 THR A 69 6.911 8.075 -12.392 1.00 0.00 C ATOM 0 H THR A 69 8.014 7.700 -10.161 1.00 0.00 H new ATOM 0 HA THR A 69 7.497 10.495 -9.997 1.00 0.00 H new ATOM 0 HB THR A 69 8.451 9.501 -12.007 1.00 0.00 H new ATOM 0 HG1 THR A 69 6.920 10.382 -13.549 1.00 0.00 H new ATOM 0 HG21 THR A 69 7.136 8.002 -13.456 1.00 0.00 H new ATOM 0 HG22 THR A 69 7.429 7.280 -11.857 1.00 0.00 H new ATOM 0 HG23 THR A 69 5.836 7.974 -12.240 1.00 0.00 H new ATOM 1007 N SER A 70 4.991 8.423 -9.850 1.00 0.00 N ATOM 1008 CA SER A 70 3.554 8.310 -9.633 1.00 0.00 C ATOM 1009 C SER A 70 3.253 7.855 -8.208 1.00 0.00 C ATOM 1010 O SER A 70 2.354 8.379 -7.554 1.00 0.00 O ATOM 1011 CB SER A 70 2.941 7.328 -10.634 1.00 0.00 C ATOM 1012 OG SER A 70 3.571 6.060 -10.555 1.00 0.00 O ATOM 0 H SER A 70 5.504 7.548 -9.744 1.00 0.00 H new ATOM 0 HA SER A 70 3.111 9.295 -9.783 1.00 0.00 H new ATOM 0 HB2 SER A 70 1.874 7.221 -10.437 1.00 0.00 H new ATOM 0 HB3 SER A 70 3.040 7.725 -11.645 1.00 0.00 H new ATOM 0 HG SER A 70 3.161 5.450 -11.203 1.00 0.00 H new ATOM 1018 N GLY A 71 4.015 6.873 -7.734 1.00 0.00 N ATOM 1019 CA GLY A 71 3.816 6.363 -6.390 1.00 0.00 C ATOM 1020 C GLY A 71 2.931 5.133 -6.362 1.00 0.00 C ATOM 1021 O GLY A 71 2.167 4.931 -5.418 1.00 0.00 O ATOM 0 H GLY A 71 4.766 6.422 -8.257 1.00 0.00 H new ATOM 0 HA2 GLY A 71 4.783 6.121 -5.950 1.00 0.00 H new ATOM 0 HA3 GLY A 71 3.370 7.142 -5.771 1.00 0.00 H new ATOM 1025 N TRP A 72 3.032 4.310 -7.400 1.00 0.00 N ATOM 1026 CA TRP A 72 2.232 3.094 -7.491 1.00 0.00 C ATOM 1027 C TRP A 72 3.094 1.857 -7.262 1.00 0.00 C ATOM 1028 O TRP A 72 4.200 1.752 -7.793 1.00 0.00 O ATOM 1029 CB TRP A 72 1.550 3.009 -8.857 1.00 0.00 C ATOM 1030 CG TRP A 72 0.162 3.575 -8.864 1.00 0.00 C ATOM 1031 CD1 TRP A 72 -0.200 4.854 -9.180 1.00 0.00 C ATOM 1032 CD2 TRP A 72 -1.048 2.882 -8.539 1.00 0.00 C ATOM 1033 NE1 TRP A 72 -1.562 4.997 -9.071 1.00 0.00 N ATOM 1034 CE2 TRP A 72 -2.106 3.802 -8.680 1.00 0.00 C ATOM 1035 CE3 TRP A 72 -1.341 1.574 -8.145 1.00 0.00 C ATOM 1036 CZ2 TRP A 72 -3.432 3.454 -8.438 1.00 0.00 C ATOM 1037 CZ3 TRP A 72 -2.658 1.230 -7.905 1.00 0.00 C ATOM 1038 CH2 TRP A 72 -3.690 2.166 -8.053 1.00 0.00 C ATOM 0 H TRP A 72 3.659 4.463 -8.190 1.00 0.00 H new ATOM 0 HA TRP A 72 1.469 3.132 -6.713 1.00 0.00 H new ATOM 0 HB2 TRP A 72 2.155 3.541 -9.591 1.00 0.00 H new ATOM 0 HB3 TRP A 72 1.511 1.966 -9.171 1.00 0.00 H new ATOM 0 HD1 TRP A 72 0.484 5.637 -9.472 1.00 0.00 H new ATOM 0 HE1 TRP A 72 -2.084 5.854 -9.252 1.00 0.00 H new ATOM 0 HE3 TRP A 72 -0.553 0.845 -8.030 1.00 0.00 H new ATOM 0 HZ2 TRP A 72 -4.229 4.174 -8.550 1.00 0.00 H new ATOM 0 HZ3 TRP A 72 -2.896 0.222 -7.598 1.00 0.00 H new ATOM 0 HH2 TRP A 72 -4.709 1.865 -7.860 1.00 0.00 H new ATOM 1049 N LEU A 73 2.581 0.923 -6.468 1.00 0.00 N ATOM 1050 CA LEU A 73 3.305 -0.308 -6.168 1.00 0.00 C ATOM 1051 C LEU A 73 2.638 -1.507 -6.835 1.00 0.00 C ATOM 1052 O LEU A 73 1.412 -1.610 -6.868 1.00 0.00 O ATOM 1053 CB LEU A 73 3.376 -0.525 -4.656 1.00 0.00 C ATOM 1054 CG LEU A 73 4.388 -1.566 -4.175 1.00 0.00 C ATOM 1055 CD1 LEU A 73 5.798 -0.999 -4.216 1.00 0.00 C ATOM 1056 CD2 LEU A 73 4.041 -2.037 -2.770 1.00 0.00 C ATOM 0 H LEU A 73 1.667 0.995 -6.021 1.00 0.00 H new ATOM 0 HA LEU A 73 4.317 -0.212 -6.563 1.00 0.00 H new ATOM 0 HB2 LEU A 73 3.612 0.428 -4.183 1.00 0.00 H new ATOM 0 HB3 LEU A 73 2.387 -0.819 -4.304 1.00 0.00 H new ATOM 0 HG LEU A 73 4.344 -2.424 -4.846 1.00 0.00 H new ATOM 0 HD11 LEU A 73 6.504 -1.754 -3.870 1.00 0.00 H new ATOM 0 HD12 LEU A 73 6.045 -0.712 -5.238 1.00 0.00 H new ATOM 0 HD13 LEU A 73 5.857 -0.124 -3.569 1.00 0.00 H new ATOM 0 HD21 LEU A 73 4.771 -2.777 -2.444 1.00 0.00 H new ATOM 0 HD22 LEU A 73 4.056 -1.187 -2.087 1.00 0.00 H new ATOM 0 HD23 LEU A 73 3.047 -2.484 -2.771 1.00 0.00 H new ATOM 1068 N SER A 74 3.455 -2.412 -7.364 1.00 0.00 N ATOM 1069 CA SER A 74 2.944 -3.604 -8.031 1.00 0.00 C ATOM 1070 C SER A 74 4.013 -4.692 -8.094 1.00 0.00 C ATOM 1071 O SER A 74 5.197 -4.427 -7.887 1.00 0.00 O ATOM 1072 CB SER A 74 2.468 -3.259 -9.444 1.00 0.00 C ATOM 1073 OG SER A 74 3.565 -3.096 -10.326 1.00 0.00 O ATOM 0 H SER A 74 4.472 -2.343 -7.344 1.00 0.00 H new ATOM 0 HA SER A 74 2.100 -3.980 -7.452 1.00 0.00 H new ATOM 0 HB2 SER A 74 1.814 -4.049 -9.814 1.00 0.00 H new ATOM 0 HB3 SER A 74 1.878 -2.343 -9.419 1.00 0.00 H new ATOM 0 HG SER A 74 3.234 -2.878 -11.222 1.00 0.00 H new ATOM 1079 N VAL A 75 3.585 -5.917 -8.381 1.00 0.00 N ATOM 1080 CA VAL A 75 4.504 -7.045 -8.472 1.00 0.00 C ATOM 1081 C VAL A 75 5.422 -6.911 -9.682 1.00 0.00 C ATOM 1082 O VAL A 75 5.010 -6.425 -10.737 1.00 0.00 O ATOM 1083 CB VAL A 75 3.744 -8.382 -8.565 1.00 0.00 C ATOM 1084 CG1 VAL A 75 4.715 -9.552 -8.533 1.00 0.00 C ATOM 1085 CG2 VAL A 75 2.725 -8.494 -7.441 1.00 0.00 C ATOM 0 H VAL A 75 2.608 -6.154 -8.554 1.00 0.00 H new ATOM 0 HA VAL A 75 5.104 -7.038 -7.562 1.00 0.00 H new ATOM 0 HB VAL A 75 3.209 -8.411 -9.514 1.00 0.00 H new ATOM 0 HG11 VAL A 75 4.160 -10.488 -8.600 1.00 0.00 H new ATOM 0 HG12 VAL A 75 5.403 -9.477 -9.375 1.00 0.00 H new ATOM 0 HG13 VAL A 75 5.280 -9.531 -7.601 1.00 0.00 H new ATOM 0 HG21 VAL A 75 2.197 -9.444 -7.522 1.00 0.00 H new ATOM 0 HG22 VAL A 75 3.237 -8.444 -6.480 1.00 0.00 H new ATOM 0 HG23 VAL A 75 2.010 -7.674 -7.515 1.00 0.00 H new ATOM 1095 N LEU A 76 6.668 -7.343 -9.523 1.00 0.00 N ATOM 1096 CA LEU A 76 7.646 -7.271 -10.603 1.00 0.00 C ATOM 1097 C LEU A 76 8.018 -8.667 -11.094 1.00 0.00 C ATOM 1098 O LEU A 76 8.206 -8.885 -12.292 1.00 0.00 O ATOM 1099 CB LEU A 76 8.900 -6.532 -10.134 1.00 0.00 C ATOM 1100 CG LEU A 76 9.932 -6.208 -11.215 1.00 0.00 C ATOM 1101 CD1 LEU A 76 9.351 -5.240 -12.234 1.00 0.00 C ATOM 1102 CD2 LEU A 76 11.195 -5.633 -10.591 1.00 0.00 C ATOM 0 H LEU A 76 7.025 -7.747 -8.657 1.00 0.00 H new ATOM 0 HA LEU A 76 7.197 -6.722 -11.431 1.00 0.00 H new ATOM 0 HB2 LEU A 76 8.592 -5.599 -9.662 1.00 0.00 H new ATOM 0 HB3 LEU A 76 9.385 -7.133 -9.365 1.00 0.00 H new ATOM 0 HG LEU A 76 10.193 -7.133 -11.730 1.00 0.00 H new ATOM 0 HD11 LEU A 76 10.099 -5.021 -12.996 1.00 0.00 H new ATOM 0 HD12 LEU A 76 8.476 -5.688 -12.704 1.00 0.00 H new ATOM 0 HD13 LEU A 76 9.061 -4.316 -11.734 1.00 0.00 H new ATOM 0 HD21 LEU A 76 11.918 -5.408 -11.375 1.00 0.00 H new ATOM 0 HD22 LEU A 76 10.950 -4.719 -10.050 1.00 0.00 H new ATOM 0 HD23 LEU A 76 11.623 -6.359 -9.900 1.00 0.00 H new ATOM 1114 N HIS A 77 8.121 -9.609 -10.162 1.00 0.00 N ATOM 1115 CA HIS A 77 8.468 -10.984 -10.500 1.00 0.00 C ATOM 1116 C HIS A 77 7.585 -11.970 -9.741 1.00 0.00 C ATOM 1117 O HIS A 77 7.136 -11.687 -8.630 1.00 0.00 O ATOM 1118 CB HIS A 77 9.940 -11.253 -10.185 1.00 0.00 C ATOM 1119 CG HIS A 77 10.870 -10.863 -11.292 1.00 0.00 C ATOM 1120 ND1 HIS A 77 10.606 -11.116 -12.622 1.00 0.00 N ATOM 1121 CD2 HIS A 77 12.067 -10.232 -11.261 1.00 0.00 C ATOM 1122 CE1 HIS A 77 11.602 -10.659 -13.360 1.00 0.00 C ATOM 1123 NE2 HIS A 77 12.501 -10.118 -12.559 1.00 0.00 N ATOM 0 H HIS A 77 7.969 -9.445 -9.167 1.00 0.00 H new ATOM 0 HA HIS A 77 8.301 -11.122 -11.568 1.00 0.00 H new ATOM 0 HB2 HIS A 77 10.215 -10.709 -9.282 1.00 0.00 H new ATOM 0 HB3 HIS A 77 10.069 -12.314 -9.970 1.00 0.00 H new ATOM 0 HD2 HIS A 77 12.585 -9.883 -10.380 1.00 0.00 H new ATOM 0 HE1 HIS A 77 11.669 -10.718 -14.436 1.00 0.00 H new ATOM 0 HE2 HIS A 77 13.376 -9.686 -12.856 1.00 0.00 H new ATOM 1132 N ARG A 78 7.339 -13.126 -10.348 1.00 0.00 N ATOM 1133 CA ARG A 78 6.508 -14.152 -9.730 1.00 0.00 C ATOM 1134 C ARG A 78 6.861 -14.322 -8.255 1.00 0.00 C ATOM 1135 O ARG A 78 7.981 -14.028 -7.837 1.00 0.00 O ATOM 1136 CB ARG A 78 6.676 -15.484 -10.462 1.00 0.00 C ATOM 1137 CG ARG A 78 6.304 -15.421 -11.935 1.00 0.00 C ATOM 1138 CD ARG A 78 4.809 -15.607 -12.141 1.00 0.00 C ATOM 1139 NE ARG A 78 4.351 -16.914 -11.679 1.00 0.00 N ATOM 1140 CZ ARG A 78 3.200 -17.463 -12.050 1.00 0.00 C ATOM 1141 NH1 ARG A 78 2.395 -16.821 -12.885 1.00 0.00 N ATOM 1142 NH2 ARG A 78 2.853 -18.657 -11.586 1.00 0.00 N ATOM 0 H ARG A 78 7.703 -13.376 -11.267 1.00 0.00 H new ATOM 0 HA ARG A 78 5.468 -13.834 -9.803 1.00 0.00 H new ATOM 0 HB2 ARG A 78 7.712 -15.811 -10.371 1.00 0.00 H new ATOM 0 HB3 ARG A 78 6.060 -16.238 -9.972 1.00 0.00 H new ATOM 0 HG2 ARG A 78 6.613 -14.461 -12.348 1.00 0.00 H new ATOM 0 HG3 ARG A 78 6.846 -16.192 -12.482 1.00 0.00 H new ATOM 0 HD2 ARG A 78 4.270 -14.825 -11.607 1.00 0.00 H new ATOM 0 HD3 ARG A 78 4.572 -15.493 -13.199 1.00 0.00 H new ATOM 0 HE ARG A 78 4.948 -17.434 -11.036 1.00 0.00 H new ATOM 0 HH11 ARG A 78 2.659 -15.903 -13.244 1.00 0.00 H new ATOM 0 HH12 ARG A 78 1.512 -17.245 -13.169 1.00 0.00 H new ATOM 0 HH21 ARG A 78 3.470 -19.154 -10.944 1.00 0.00 H new ATOM 0 HH22 ARG A 78 1.969 -19.078 -11.871 1.00 0.00 H new ATOM 1156 N ILE A 79 5.898 -14.797 -7.473 1.00 0.00 N ATOM 1157 CA ILE A 79 6.107 -15.007 -6.046 1.00 0.00 C ATOM 1158 C ILE A 79 5.721 -16.424 -5.635 1.00 0.00 C ATOM 1159 O ILE A 79 4.815 -17.024 -6.215 1.00 0.00 O ATOM 1160 CB ILE A 79 5.298 -14.002 -5.204 1.00 0.00 C ATOM 1161 CG1 ILE A 79 5.693 -12.568 -5.563 1.00 0.00 C ATOM 1162 CG2 ILE A 79 5.512 -14.260 -3.720 1.00 0.00 C ATOM 1163 CD1 ILE A 79 4.613 -11.552 -5.266 1.00 0.00 C ATOM 0 H ILE A 79 4.965 -15.044 -7.804 1.00 0.00 H new ATOM 0 HA ILE A 79 7.170 -14.854 -5.858 1.00 0.00 H new ATOM 0 HB ILE A 79 4.239 -14.134 -5.427 1.00 0.00 H new ATOM 0 HG12 ILE A 79 6.595 -12.299 -5.012 1.00 0.00 H new ATOM 0 HG13 ILE A 79 5.942 -12.523 -6.623 1.00 0.00 H new ATOM 0 HG21 ILE A 79 4.934 -13.542 -3.139 1.00 0.00 H new ATOM 0 HG22 ILE A 79 5.186 -15.271 -3.476 1.00 0.00 H new ATOM 0 HG23 ILE A 79 6.570 -14.152 -3.481 1.00 0.00 H new ATOM 0 HD11 ILE A 79 4.962 -10.558 -5.545 1.00 0.00 H new ATOM 0 HD12 ILE A 79 3.717 -11.796 -5.837 1.00 0.00 H new ATOM 0 HD13 ILE A 79 4.380 -11.569 -4.201 1.00 0.00 H new ATOM 1175 N ASP A 80 6.412 -16.952 -4.632 1.00 0.00 N ATOM 1176 CA ASP A 80 6.140 -18.298 -4.141 1.00 0.00 C ATOM 1177 C ASP A 80 6.016 -18.307 -2.620 1.00 0.00 C ATOM 1178 O ASP A 80 6.999 -18.106 -1.906 1.00 0.00 O ATOM 1179 CB ASP A 80 7.247 -19.258 -4.581 1.00 0.00 C ATOM 1180 CG ASP A 80 6.743 -20.675 -4.768 1.00 0.00 C ATOM 1181 OD1 ASP A 80 5.700 -20.851 -5.432 1.00 0.00 O ATOM 1182 OD2 ASP A 80 7.391 -21.609 -4.251 1.00 0.00 O ATOM 0 H ASP A 80 7.165 -16.469 -4.142 1.00 0.00 H new ATOM 0 HA ASP A 80 5.193 -18.629 -4.567 1.00 0.00 H new ATOM 0 HB2 ASP A 80 7.681 -18.903 -5.516 1.00 0.00 H new ATOM 0 HB3 ASP A 80 8.044 -19.254 -3.838 1.00 0.00 H new ATOM 1187 N ARG A 81 4.802 -18.541 -2.132 1.00 0.00 N ATOM 1188 CA ARG A 81 4.550 -18.574 -0.696 1.00 0.00 C ATOM 1189 C ARG A 81 5.701 -19.250 0.043 1.00 0.00 C ATOM 1190 O ARG A 81 6.012 -18.898 1.180 1.00 0.00 O ATOM 1191 CB ARG A 81 3.240 -19.308 -0.404 1.00 0.00 C ATOM 1192 CG ARG A 81 2.795 -19.206 1.046 1.00 0.00 C ATOM 1193 CD ARG A 81 3.405 -20.311 1.895 1.00 0.00 C ATOM 1194 NE ARG A 81 2.612 -21.536 1.852 1.00 0.00 N ATOM 1195 CZ ARG A 81 3.048 -22.710 2.294 1.00 0.00 C ATOM 1196 NH1 ARG A 81 4.265 -22.817 2.810 1.00 0.00 N ATOM 1197 NH2 ARG A 81 2.267 -23.780 2.221 1.00 0.00 N ATOM 0 H ARG A 81 3.978 -18.710 -2.709 1.00 0.00 H new ATOM 0 HA ARG A 81 4.469 -17.546 -0.343 1.00 0.00 H new ATOM 0 HB2 ARG A 81 2.456 -18.904 -1.045 1.00 0.00 H new ATOM 0 HB3 ARG A 81 3.356 -20.360 -0.667 1.00 0.00 H new ATOM 0 HG2 ARG A 81 3.083 -18.235 1.449 1.00 0.00 H new ATOM 0 HG3 ARG A 81 1.708 -19.263 1.099 1.00 0.00 H new ATOM 0 HD2 ARG A 81 4.416 -20.521 1.545 1.00 0.00 H new ATOM 0 HD3 ARG A 81 3.490 -19.970 2.927 1.00 0.00 H new ATOM 0 HE ARG A 81 1.671 -21.488 1.461 1.00 0.00 H new ATOM 0 HH11 ARG A 81 4.868 -21.997 2.868 1.00 0.00 H new ATOM 0 HH12 ARG A 81 4.598 -23.720 3.149 1.00 0.00 H new ATOM 0 HH21 ARG A 81 1.330 -23.702 1.825 1.00 0.00 H new ATOM 0 HH22 ARG A 81 2.603 -24.681 2.561 1.00 0.00 H new ATOM 1211 N GLU A 82 6.328 -20.222 -0.612 1.00 0.00 N ATOM 1212 CA GLU A 82 7.443 -20.948 -0.015 1.00 0.00 C ATOM 1213 C GLU A 82 8.670 -20.051 0.112 1.00 0.00 C ATOM 1214 O GLU A 82 9.292 -19.980 1.171 1.00 0.00 O ATOM 1215 CB GLU A 82 7.784 -22.182 -0.854 1.00 0.00 C ATOM 1216 CG GLU A 82 9.166 -22.747 -0.571 1.00 0.00 C ATOM 1217 CD GLU A 82 9.251 -24.238 -0.832 1.00 0.00 C ATOM 1218 OE1 GLU A 82 8.250 -24.942 -0.582 1.00 0.00 O ATOM 1219 OE2 GLU A 82 10.318 -24.702 -1.286 1.00 0.00 O ATOM 0 H GLU A 82 6.083 -20.525 -1.555 1.00 0.00 H new ATOM 0 HA GLU A 82 7.143 -21.267 0.983 1.00 0.00 H new ATOM 0 HB2 GLU A 82 7.039 -22.955 -0.667 1.00 0.00 H new ATOM 0 HB3 GLU A 82 7.716 -21.923 -1.911 1.00 0.00 H new ATOM 0 HG2 GLU A 82 9.899 -22.231 -1.191 1.00 0.00 H new ATOM 0 HG3 GLU A 82 9.430 -22.548 0.468 1.00 0.00 H new ATOM 1226 N GLU A 83 9.012 -19.368 -0.976 1.00 0.00 N ATOM 1227 CA GLU A 83 10.166 -18.476 -0.987 1.00 0.00 C ATOM 1228 C GLU A 83 9.939 -17.282 -0.064 1.00 0.00 C ATOM 1229 O GLU A 83 10.885 -16.724 0.492 1.00 0.00 O ATOM 1230 CB GLU A 83 10.450 -17.989 -2.409 1.00 0.00 C ATOM 1231 CG GLU A 83 9.475 -16.930 -2.896 1.00 0.00 C ATOM 1232 CD GLU A 83 10.051 -16.072 -4.005 1.00 0.00 C ATOM 1233 OE1 GLU A 83 10.955 -16.556 -4.720 1.00 0.00 O ATOM 1234 OE2 GLU A 83 9.600 -14.918 -4.159 1.00 0.00 O ATOM 0 H GLU A 83 8.507 -19.415 -1.861 1.00 0.00 H new ATOM 0 HA GLU A 83 11.028 -19.035 -0.624 1.00 0.00 H new ATOM 0 HB2 GLU A 83 11.462 -17.586 -2.451 1.00 0.00 H new ATOM 0 HB3 GLU A 83 10.418 -18.840 -3.089 1.00 0.00 H new ATOM 0 HG2 GLU A 83 8.566 -17.415 -3.252 1.00 0.00 H new ATOM 0 HG3 GLU A 83 9.190 -16.292 -2.059 1.00 0.00 H new ATOM 1241 N VAL A 84 8.677 -16.895 0.093 1.00 0.00 N ATOM 1242 CA VAL A 84 8.325 -15.767 0.947 1.00 0.00 C ATOM 1243 C VAL A 84 6.966 -15.981 1.606 1.00 0.00 C ATOM 1244 O VAL A 84 5.962 -16.191 0.926 1.00 0.00 O ATOM 1245 CB VAL A 84 8.296 -14.448 0.153 1.00 0.00 C ATOM 1246 CG1 VAL A 84 9.687 -14.101 -0.355 1.00 0.00 C ATOM 1247 CG2 VAL A 84 7.307 -14.541 -0.999 1.00 0.00 C ATOM 0 H VAL A 84 7.882 -17.346 -0.360 1.00 0.00 H new ATOM 0 HA VAL A 84 9.094 -15.701 1.717 1.00 0.00 H new ATOM 0 HB VAL A 84 7.968 -13.650 0.819 1.00 0.00 H new ATOM 0 HG11 VAL A 84 9.648 -13.166 -0.914 1.00 0.00 H new ATOM 0 HG12 VAL A 84 10.366 -13.990 0.490 1.00 0.00 H new ATOM 0 HG13 VAL A 84 10.046 -14.898 -1.006 1.00 0.00 H new ATOM 0 HG21 VAL A 84 7.300 -13.600 -1.549 1.00 0.00 H new ATOM 0 HG22 VAL A 84 7.602 -15.350 -1.667 1.00 0.00 H new ATOM 0 HG23 VAL A 84 6.310 -14.740 -0.607 1.00 0.00 H new ATOM 1257 N ASN A 85 6.942 -15.925 2.933 1.00 0.00 N ATOM 1258 CA ASN A 85 5.706 -16.112 3.684 1.00 0.00 C ATOM 1259 C ASN A 85 5.053 -14.770 4.001 1.00 0.00 C ATOM 1260 O ASN A 85 3.830 -14.668 4.082 1.00 0.00 O ATOM 1261 CB ASN A 85 5.984 -16.875 4.981 1.00 0.00 C ATOM 1262 CG ASN A 85 7.255 -16.410 5.665 1.00 0.00 C ATOM 1263 OD1 ASN A 85 8.389 -16.950 5.235 1.00 0.00 O flip ATOM 1264 ND2 ASN A 85 7.217 -15.575 6.569 1.00 0.00 N flip ATOM 0 H ASN A 85 7.764 -15.752 3.511 1.00 0.00 H new ATOM 0 HA ASN A 85 5.020 -16.693 3.067 1.00 0.00 H new ATOM 0 HB2 ASN A 85 5.142 -16.749 5.661 1.00 0.00 H new ATOM 0 HB3 ASN A 85 6.061 -17.940 4.763 1.00 0.00 H new ATOM 0 HD21 ASN A 85 6.322 -15.187 6.867 1.00 0.00 H new ATOM 0 HD22 ASN A 85 8.080 -15.272 7.020 1.00 0.00 H new ATOM 1271 N GLN A 86 5.879 -13.743 4.177 1.00 0.00 N ATOM 1272 CA GLN A 86 5.381 -12.407 4.484 1.00 0.00 C ATOM 1273 C GLN A 86 6.460 -11.356 4.243 1.00 0.00 C ATOM 1274 O GLN A 86 7.462 -11.304 4.958 1.00 0.00 O ATOM 1275 CB GLN A 86 4.902 -12.340 5.935 1.00 0.00 C ATOM 1276 CG GLN A 86 4.143 -11.065 6.267 1.00 0.00 C ATOM 1277 CD GLN A 86 3.673 -11.024 7.707 1.00 0.00 C ATOM 1278 OE1 GLN A 86 4.052 -11.867 8.521 1.00 0.00 O ATOM 1279 NE2 GLN A 86 2.844 -10.039 8.032 1.00 0.00 N ATOM 0 H GLN A 86 6.895 -13.810 4.112 1.00 0.00 H new ATOM 0 HA GLN A 86 4.541 -12.198 3.822 1.00 0.00 H new ATOM 0 HB2 GLN A 86 4.261 -13.198 6.137 1.00 0.00 H new ATOM 0 HB3 GLN A 86 5.764 -12.423 6.598 1.00 0.00 H new ATOM 0 HG2 GLN A 86 4.783 -10.205 6.073 1.00 0.00 H new ATOM 0 HG3 GLN A 86 3.282 -10.977 5.605 1.00 0.00 H new ATOM 0 HE21 GLN A 86 2.555 -9.362 7.326 1.00 0.00 H new ATOM 0 HE22 GLN A 86 2.496 -9.960 8.988 1.00 0.00 H new ATOM 1288 N LEU A 87 6.249 -10.520 3.232 1.00 0.00 N ATOM 1289 CA LEU A 87 7.203 -9.469 2.896 1.00 0.00 C ATOM 1290 C LEU A 87 7.008 -8.250 3.792 1.00 0.00 C ATOM 1291 O LEU A 87 5.885 -7.918 4.170 1.00 0.00 O ATOM 1292 CB LEU A 87 7.052 -9.067 1.428 1.00 0.00 C ATOM 1293 CG LEU A 87 7.245 -10.185 0.403 1.00 0.00 C ATOM 1294 CD1 LEU A 87 6.561 -9.830 -0.909 1.00 0.00 C ATOM 1295 CD2 LEU A 87 8.725 -10.454 0.178 1.00 0.00 C ATOM 0 H LEU A 87 5.426 -10.550 2.631 1.00 0.00 H new ATOM 0 HA LEU A 87 8.208 -9.859 3.058 1.00 0.00 H new ATOM 0 HB2 LEU A 87 6.058 -8.641 1.289 1.00 0.00 H new ATOM 0 HB3 LEU A 87 7.770 -8.276 1.213 1.00 0.00 H new ATOM 0 HG LEU A 87 6.787 -11.093 0.795 1.00 0.00 H new ATOM 0 HD11 LEU A 87 6.709 -10.637 -1.626 1.00 0.00 H new ATOM 0 HD12 LEU A 87 5.494 -9.689 -0.737 1.00 0.00 H new ATOM 0 HD13 LEU A 87 6.989 -8.909 -1.305 1.00 0.00 H new ATOM 0 HD21 LEU A 87 8.842 -11.253 -0.554 1.00 0.00 H new ATOM 0 HD22 LEU A 87 9.207 -9.549 -0.191 1.00 0.00 H new ATOM 0 HD23 LEU A 87 9.187 -10.753 1.119 1.00 0.00 H new ATOM 1307 N ARG A 88 8.110 -7.586 4.126 1.00 0.00 N ATOM 1308 CA ARG A 88 8.060 -6.403 4.977 1.00 0.00 C ATOM 1309 C ARG A 88 9.194 -5.440 4.635 1.00 0.00 C ATOM 1310 O ARG A 88 10.363 -5.722 4.900 1.00 0.00 O ATOM 1311 CB ARG A 88 8.144 -6.804 6.451 1.00 0.00 C ATOM 1312 CG ARG A 88 7.419 -5.849 7.384 1.00 0.00 C ATOM 1313 CD ARG A 88 7.894 -6.006 8.820 1.00 0.00 C ATOM 1314 NE ARG A 88 9.264 -5.532 8.999 1.00 0.00 N ATOM 1315 CZ ARG A 88 9.786 -5.223 10.180 1.00 0.00 C ATOM 1316 NH1 ARG A 88 9.057 -5.337 11.282 1.00 0.00 N ATOM 1317 NH2 ARG A 88 11.041 -4.798 10.262 1.00 0.00 N ATOM 0 H ARG A 88 9.048 -7.847 3.821 1.00 0.00 H new ATOM 0 HA ARG A 88 7.111 -5.898 4.799 1.00 0.00 H new ATOM 0 HB2 ARG A 88 7.726 -7.803 6.571 1.00 0.00 H new ATOM 0 HB3 ARG A 88 9.192 -6.860 6.745 1.00 0.00 H new ATOM 0 HG2 ARG A 88 7.583 -4.823 7.055 1.00 0.00 H new ATOM 0 HG3 ARG A 88 6.346 -6.033 7.332 1.00 0.00 H new ATOM 0 HD2 ARG A 88 7.230 -5.453 9.484 1.00 0.00 H new ATOM 0 HD3 ARG A 88 7.833 -7.055 9.109 1.00 0.00 H new ATOM 0 HE ARG A 88 9.852 -5.433 8.171 1.00 0.00 H new ATOM 0 HH11 ARG A 88 8.092 -5.663 11.224 1.00 0.00 H new ATOM 0 HH12 ARG A 88 9.461 -5.099 12.188 1.00 0.00 H new ATOM 0 HH21 ARG A 88 11.605 -4.709 9.417 1.00 0.00 H new ATOM 0 HH22 ARG A 88 11.441 -4.561 11.170 1.00 0.00 H new ATOM 1331 N PHE A 89 8.840 -4.303 4.046 1.00 0.00 N ATOM 1332 CA PHE A 89 9.827 -3.299 3.666 1.00 0.00 C ATOM 1333 C PHE A 89 9.342 -1.897 4.026 1.00 0.00 C ATOM 1334 O PHE A 89 8.245 -1.724 4.556 1.00 0.00 O ATOM 1335 CB PHE A 89 10.119 -3.381 2.167 1.00 0.00 C ATOM 1336 CG PHE A 89 8.881 -3.434 1.317 1.00 0.00 C ATOM 1337 CD1 PHE A 89 8.201 -2.273 0.988 1.00 0.00 C ATOM 1338 CD2 PHE A 89 8.398 -4.645 0.848 1.00 0.00 C ATOM 1339 CE1 PHE A 89 7.062 -2.318 0.206 1.00 0.00 C ATOM 1340 CE2 PHE A 89 7.260 -4.696 0.065 1.00 0.00 C ATOM 1341 CZ PHE A 89 6.591 -3.531 -0.255 1.00 0.00 C ATOM 0 H PHE A 89 7.877 -4.054 3.821 1.00 0.00 H new ATOM 0 HA PHE A 89 10.745 -3.500 4.218 1.00 0.00 H new ATOM 0 HB2 PHE A 89 10.715 -2.517 1.873 1.00 0.00 H new ATOM 0 HB3 PHE A 89 10.723 -4.267 1.971 1.00 0.00 H new ATOM 0 HD1 PHE A 89 8.565 -1.321 1.347 1.00 0.00 H new ATOM 0 HD2 PHE A 89 8.916 -5.559 1.097 1.00 0.00 H new ATOM 0 HE1 PHE A 89 6.541 -1.405 -0.044 1.00 0.00 H new ATOM 0 HE2 PHE A 89 6.894 -5.646 -0.296 1.00 0.00 H new ATOM 0 HZ PHE A 89 5.701 -3.569 -0.865 1.00 0.00 H new ATOM 1351 N THR A 90 10.170 -0.899 3.733 1.00 0.00 N ATOM 1352 CA THR A 90 9.828 0.488 4.026 1.00 0.00 C ATOM 1353 C THR A 90 9.996 1.368 2.792 1.00 0.00 C ATOM 1354 O THR A 90 10.874 1.130 1.963 1.00 0.00 O ATOM 1355 CB THR A 90 10.696 1.051 5.167 1.00 0.00 C ATOM 1356 OG1 THR A 90 10.850 0.068 6.196 1.00 0.00 O ATOM 1357 CG2 THR A 90 10.072 2.310 5.750 1.00 0.00 C ATOM 0 H THR A 90 11.082 -1.025 3.293 1.00 0.00 H new ATOM 0 HA THR A 90 8.783 0.498 4.336 1.00 0.00 H new ATOM 0 HB THR A 90 11.674 1.305 4.759 1.00 0.00 H new ATOM 0 HG1 THR A 90 11.404 0.433 6.917 1.00 0.00 H new ATOM 0 HG21 THR A 90 10.702 2.690 6.554 1.00 0.00 H new ATOM 0 HG22 THR A 90 9.983 3.067 4.970 1.00 0.00 H new ATOM 0 HG23 THR A 90 9.083 2.077 6.144 1.00 0.00 H new ATOM 1365 N VAL A 91 9.149 2.386 2.678 1.00 0.00 N ATOM 1366 CA VAL A 91 9.206 3.303 1.546 1.00 0.00 C ATOM 1367 C VAL A 91 9.491 4.728 2.007 1.00 0.00 C ATOM 1368 O VAL A 91 8.965 5.179 3.024 1.00 0.00 O ATOM 1369 CB VAL A 91 7.890 3.288 0.745 1.00 0.00 C ATOM 1370 CG1 VAL A 91 7.643 1.910 0.149 1.00 0.00 C ATOM 1371 CG2 VAL A 91 6.726 3.714 1.626 1.00 0.00 C ATOM 0 H VAL A 91 8.416 2.596 3.355 1.00 0.00 H new ATOM 0 HA VAL A 91 10.018 2.963 0.903 1.00 0.00 H new ATOM 0 HB VAL A 91 7.975 4.001 -0.075 1.00 0.00 H new ATOM 0 HG11 VAL A 91 6.709 1.919 -0.413 1.00 0.00 H new ATOM 0 HG12 VAL A 91 8.465 1.649 -0.517 1.00 0.00 H new ATOM 0 HG13 VAL A 91 7.577 1.174 0.950 1.00 0.00 H new ATOM 0 HG21 VAL A 91 5.804 3.698 1.044 1.00 0.00 H new ATOM 0 HG22 VAL A 91 6.636 3.027 2.467 1.00 0.00 H new ATOM 0 HG23 VAL A 91 6.902 4.723 1.999 1.00 0.00 H new ATOM 1381 N MET A 92 10.326 5.433 1.251 1.00 0.00 N ATOM 1382 CA MET A 92 10.680 6.809 1.581 1.00 0.00 C ATOM 1383 C MET A 92 9.980 7.790 0.646 1.00 0.00 C ATOM 1384 O MET A 92 9.750 7.489 -0.525 1.00 0.00 O ATOM 1385 CB MET A 92 12.195 7.002 1.500 1.00 0.00 C ATOM 1386 CG MET A 92 12.914 6.723 2.810 1.00 0.00 C ATOM 1387 SD MET A 92 14.462 7.635 2.961 1.00 0.00 S ATOM 1388 CE MET A 92 15.192 7.331 1.353 1.00 0.00 C ATOM 0 H MET A 92 10.770 5.074 0.406 1.00 0.00 H new ATOM 0 HA MET A 92 10.350 7.008 2.601 1.00 0.00 H new ATOM 0 HB2 MET A 92 12.596 6.345 0.728 1.00 0.00 H new ATOM 0 HB3 MET A 92 12.407 8.025 1.190 1.00 0.00 H new ATOM 0 HG2 MET A 92 12.260 6.985 3.642 1.00 0.00 H new ATOM 0 HG3 MET A 92 13.117 5.655 2.888 1.00 0.00 H new ATOM 0 HE1 MET A 92 16.260 7.544 1.392 1.00 0.00 H new ATOM 0 HE2 MET A 92 15.040 6.288 1.076 1.00 0.00 H new ATOM 0 HE3 MET A 92 14.720 7.976 0.611 1.00 0.00 H new ATOM 1398 N ALA A 93 9.643 8.963 1.171 1.00 0.00 N ATOM 1399 CA ALA A 93 8.971 9.988 0.383 1.00 0.00 C ATOM 1400 C ALA A 93 9.664 11.338 0.531 1.00 0.00 C ATOM 1401 O ALA A 93 9.417 12.072 1.488 1.00 0.00 O ATOM 1402 CB ALA A 93 7.509 10.096 0.793 1.00 0.00 C ATOM 0 H ALA A 93 9.825 9.227 2.139 1.00 0.00 H new ATOM 0 HA ALA A 93 9.023 9.696 -0.666 1.00 0.00 H new ATOM 0 HB1 ALA A 93 7.020 10.866 0.196 1.00 0.00 H new ATOM 0 HB2 ALA A 93 7.013 9.139 0.629 1.00 0.00 H new ATOM 0 HB3 ALA A 93 7.446 10.361 1.848 1.00 0.00 H new ATOM 1408 N ARG A 94 10.535 11.659 -0.420 1.00 0.00 N ATOM 1409 CA ARG A 94 11.266 12.920 -0.394 1.00 0.00 C ATOM 1410 C ARG A 94 10.857 13.810 -1.564 1.00 0.00 C ATOM 1411 O ARG A 94 10.455 13.319 -2.619 1.00 0.00 O ATOM 1412 CB ARG A 94 12.773 12.661 -0.438 1.00 0.00 C ATOM 1413 CG ARG A 94 13.184 11.635 -1.481 1.00 0.00 C ATOM 1414 CD ARG A 94 14.691 11.624 -1.687 1.00 0.00 C ATOM 1415 NE ARG A 94 15.055 11.240 -3.048 1.00 0.00 N ATOM 1416 CZ ARG A 94 16.281 11.360 -3.543 1.00 0.00 C ATOM 1417 NH1 ARG A 94 17.258 11.851 -2.792 1.00 0.00 N ATOM 1418 NH2 ARG A 94 16.534 10.989 -4.791 1.00 0.00 N ATOM 0 H ARG A 94 10.752 11.063 -1.219 1.00 0.00 H new ATOM 0 HA ARG A 94 11.020 13.435 0.535 1.00 0.00 H new ATOM 0 HB2 ARG A 94 13.289 13.600 -0.641 1.00 0.00 H new ATOM 0 HB3 ARG A 94 13.104 12.321 0.544 1.00 0.00 H new ATOM 0 HG2 ARG A 94 12.851 10.645 -1.170 1.00 0.00 H new ATOM 0 HG3 ARG A 94 12.688 11.856 -2.426 1.00 0.00 H new ATOM 0 HD2 ARG A 94 15.094 12.613 -1.470 1.00 0.00 H new ATOM 0 HD3 ARG A 94 15.148 10.931 -0.980 1.00 0.00 H new ATOM 0 HE ARG A 94 14.327 10.858 -3.652 1.00 0.00 H new ATOM 0 HH11 ARG A 94 17.068 12.137 -1.832 1.00 0.00 H new ATOM 0 HH12 ARG A 94 18.199 11.942 -3.175 1.00 0.00 H new ATOM 0 HH21 ARG A 94 15.786 10.611 -5.372 1.00 0.00 H new ATOM 0 HH22 ARG A 94 17.477 11.082 -5.170 1.00 0.00 H new ATOM 1432 N ASP A 95 10.963 15.120 -1.369 1.00 0.00 N ATOM 1433 CA ASP A 95 10.605 16.079 -2.408 1.00 0.00 C ATOM 1434 C ASP A 95 11.788 16.982 -2.744 1.00 0.00 C ATOM 1435 O ASP A 95 12.209 17.065 -3.898 1.00 0.00 O ATOM 1436 CB ASP A 95 9.412 16.925 -1.961 1.00 0.00 C ATOM 1437 CG ASP A 95 9.420 17.197 -0.470 1.00 0.00 C ATOM 1438 OD1 ASP A 95 10.474 16.984 0.166 1.00 0.00 O ATOM 1439 OD2 ASP A 95 8.374 17.622 0.061 1.00 0.00 O ATOM 0 H ASP A 95 11.294 15.542 -0.501 1.00 0.00 H new ATOM 0 HA ASP A 95 10.330 15.522 -3.304 1.00 0.00 H new ATOM 0 HB2 ASP A 95 9.420 17.872 -2.500 1.00 0.00 H new ATOM 0 HB3 ASP A 95 8.487 16.414 -2.229 1.00 0.00 H new ATOM 1444 N ARG A 96 12.318 17.656 -1.730 1.00 0.00 N ATOM 1445 CA ARG A 96 13.451 18.555 -1.919 1.00 0.00 C ATOM 1446 C ARG A 96 13.964 19.072 -0.578 1.00 0.00 C ATOM 1447 O ARG A 96 13.182 19.439 0.298 1.00 0.00 O ATOM 1448 CB ARG A 96 13.052 19.731 -2.812 1.00 0.00 C ATOM 1449 CG ARG A 96 11.646 20.244 -2.552 1.00 0.00 C ATOM 1450 CD ARG A 96 11.647 21.393 -1.555 1.00 0.00 C ATOM 1451 NE ARG A 96 12.091 22.644 -2.163 1.00 0.00 N ATOM 1452 CZ ARG A 96 12.010 23.824 -1.559 1.00 0.00 C ATOM 1453 NH1 ARG A 96 11.504 23.913 -0.336 1.00 0.00 N ATOM 1454 NH2 ARG A 96 12.435 24.919 -2.177 1.00 0.00 N ATOM 0 H ARG A 96 11.982 17.597 -0.769 1.00 0.00 H new ATOM 0 HA ARG A 96 14.251 17.995 -2.403 1.00 0.00 H new ATOM 0 HB2 ARG A 96 13.760 20.546 -2.663 1.00 0.00 H new ATOM 0 HB3 ARG A 96 13.131 19.427 -3.856 1.00 0.00 H new ATOM 0 HG2 ARG A 96 11.199 20.575 -3.490 1.00 0.00 H new ATOM 0 HG3 ARG A 96 11.026 19.432 -2.172 1.00 0.00 H new ATOM 0 HD2 ARG A 96 10.643 21.523 -1.150 1.00 0.00 H new ATOM 0 HD3 ARG A 96 12.299 21.146 -0.717 1.00 0.00 H new ATOM 0 HE ARG A 96 12.485 22.610 -3.103 1.00 0.00 H new ATOM 0 HH11 ARG A 96 11.176 23.074 0.143 1.00 0.00 H new ATOM 0 HH12 ARG A 96 11.443 24.820 0.126 1.00 0.00 H new ATOM 0 HH21 ARG A 96 12.825 24.855 -3.117 1.00 0.00 H new ATOM 0 HH22 ARG A 96 12.372 25.824 -1.711 1.00 0.00 H new ATOM 1468 N GLY A 97 15.284 19.097 -0.425 1.00 0.00 N ATOM 1469 CA GLY A 97 15.879 19.570 0.811 1.00 0.00 C ATOM 1470 C GLY A 97 17.107 18.774 1.205 1.00 0.00 C ATOM 1471 O GLY A 97 17.312 17.659 0.725 1.00 0.00 O ATOM 0 H GLY A 97 15.952 18.798 -1.135 1.00 0.00 H new ATOM 0 HA2 GLY A 97 16.150 20.620 0.702 1.00 0.00 H new ATOM 0 HA3 GLY A 97 15.141 19.513 1.611 1.00 0.00 H new ATOM 1475 N GLN A 98 17.927 19.348 2.081 1.00 0.00 N ATOM 1476 CA GLN A 98 19.143 18.684 2.536 1.00 0.00 C ATOM 1477 C GLN A 98 19.372 18.930 4.024 1.00 0.00 C ATOM 1478 O GLN A 98 19.778 20.014 4.443 1.00 0.00 O ATOM 1479 CB GLN A 98 20.349 19.176 1.734 1.00 0.00 C ATOM 1480 CG GLN A 98 20.358 20.679 1.510 1.00 0.00 C ATOM 1481 CD GLN A 98 19.503 21.099 0.331 1.00 0.00 C ATOM 1482 OE1 GLN A 98 18.288 21.259 0.456 1.00 0.00 O ATOM 1483 NE2 GLN A 98 20.134 21.280 -0.824 1.00 0.00 N ATOM 0 H GLN A 98 17.771 20.270 2.489 1.00 0.00 H new ATOM 0 HA GLN A 98 19.023 17.612 2.377 1.00 0.00 H new ATOM 0 HB2 GLN A 98 21.263 18.889 2.255 1.00 0.00 H new ATOM 0 HB3 GLN A 98 20.362 18.673 0.767 1.00 0.00 H new ATOM 0 HG2 GLN A 98 20.000 21.179 2.410 1.00 0.00 H new ATOM 0 HG3 GLN A 98 21.383 21.012 1.347 1.00 0.00 H new ATOM 0 HE21 GLN A 98 21.142 21.136 -0.882 1.00 0.00 H new ATOM 0 HE22 GLN A 98 19.610 21.563 -1.652 1.00 0.00 H new ATOM 1492 N PRO A 99 19.106 17.901 4.842 1.00 0.00 N ATOM 1493 CA PRO A 99 18.622 16.606 4.354 1.00 0.00 C ATOM 1494 C PRO A 99 17.194 16.683 3.827 1.00 0.00 C ATOM 1495 O PRO A 99 16.364 17.447 4.320 1.00 0.00 O ATOM 1496 CB PRO A 99 18.687 15.713 5.596 1.00 0.00 C ATOM 1497 CG PRO A 99 18.580 16.654 6.746 1.00 0.00 C ATOM 1498 CD PRO A 99 19.258 17.923 6.307 1.00 0.00 C ATOM 0 HA PRO A 99 19.214 16.238 3.516 1.00 0.00 H new ATOM 0 HB2 PRO A 99 17.875 14.985 5.603 1.00 0.00 H new ATOM 0 HB3 PRO A 99 19.620 15.150 5.631 1.00 0.00 H new ATOM 0 HG2 PRO A 99 17.537 16.838 7.004 1.00 0.00 H new ATOM 0 HG3 PRO A 99 19.060 16.242 7.634 1.00 0.00 H new ATOM 0 HD2 PRO A 99 18.788 18.803 6.747 1.00 0.00 H new ATOM 0 HD3 PRO A 99 20.307 17.941 6.602 1.00 0.00 H new ATOM 1506 N PRO A 100 16.897 15.872 2.800 1.00 0.00 N ATOM 1507 CA PRO A 100 15.568 15.829 2.184 1.00 0.00 C ATOM 1508 C PRO A 100 14.522 15.208 3.104 1.00 0.00 C ATOM 1509 O PRO A 100 14.705 14.101 3.611 1.00 0.00 O ATOM 1510 CB PRO A 100 15.778 14.954 0.946 1.00 0.00 C ATOM 1511 CG PRO A 100 16.950 14.097 1.283 1.00 0.00 C ATOM 1512 CD PRO A 100 17.837 14.935 2.162 1.00 0.00 C ATOM 0 HA PRO A 100 15.192 16.827 1.958 1.00 0.00 H new ATOM 0 HB2 PRO A 100 14.895 14.351 0.733 1.00 0.00 H new ATOM 0 HB3 PRO A 100 15.972 15.560 0.061 1.00 0.00 H new ATOM 0 HG2 PRO A 100 16.635 13.190 1.798 1.00 0.00 H new ATOM 0 HG3 PRO A 100 17.477 13.785 0.381 1.00 0.00 H new ATOM 0 HD2 PRO A 100 18.362 14.327 2.899 1.00 0.00 H new ATOM 0 HD3 PRO A 100 18.597 15.460 1.583 1.00 0.00 H new ATOM 1520 N LYS A 101 13.425 15.927 3.315 1.00 0.00 N ATOM 1521 CA LYS A 101 12.348 15.446 4.173 1.00 0.00 C ATOM 1522 C LYS A 101 11.830 14.095 3.690 1.00 0.00 C ATOM 1523 O LYS A 101 11.046 14.021 2.744 1.00 0.00 O ATOM 1524 CB LYS A 101 11.203 16.461 4.206 1.00 0.00 C ATOM 1525 CG LYS A 101 11.434 17.606 5.177 1.00 0.00 C ATOM 1526 CD LYS A 101 11.177 17.181 6.613 1.00 0.00 C ATOM 1527 CE LYS A 101 11.700 18.212 7.601 1.00 0.00 C ATOM 1528 NZ LYS A 101 13.174 18.109 7.782 1.00 0.00 N ATOM 0 H LYS A 101 13.258 16.845 2.904 1.00 0.00 H new ATOM 0 HA LYS A 101 12.746 15.324 5.180 1.00 0.00 H new ATOM 0 HB2 LYS A 101 11.060 16.868 3.205 1.00 0.00 H new ATOM 0 HB3 LYS A 101 10.280 15.947 4.476 1.00 0.00 H new ATOM 0 HG2 LYS A 101 12.459 17.964 5.081 1.00 0.00 H new ATOM 0 HG3 LYS A 101 10.780 18.439 4.921 1.00 0.00 H new ATOM 0 HD2 LYS A 101 10.107 17.039 6.766 1.00 0.00 H new ATOM 0 HD3 LYS A 101 11.656 16.220 6.800 1.00 0.00 H new ATOM 0 HE2 LYS A 101 11.446 19.212 7.250 1.00 0.00 H new ATOM 0 HE3 LYS A 101 11.206 18.077 8.563 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 13.491 18.828 8.463 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 13.414 17.163 8.141 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 13.648 18.264 6.869 1.00 0.00 H new ATOM 1542 N THR A 102 12.274 13.027 4.347 1.00 0.00 N ATOM 1543 CA THR A 102 11.855 11.679 3.986 1.00 0.00 C ATOM 1544 C THR A 102 11.077 11.022 5.120 1.00 0.00 C ATOM 1545 O THR A 102 11.607 10.819 6.212 1.00 0.00 O ATOM 1546 CB THR A 102 13.062 10.793 3.625 1.00 0.00 C ATOM 1547 OG1 THR A 102 13.783 10.442 4.812 1.00 0.00 O ATOM 1548 CG2 THR A 102 13.990 11.510 2.656 1.00 0.00 C ATOM 0 H THR A 102 12.924 13.071 5.132 1.00 0.00 H new ATOM 0 HA THR A 102 11.209 11.773 3.113 1.00 0.00 H new ATOM 0 HB THR A 102 12.690 9.888 3.144 1.00 0.00 H new ATOM 0 HG1 THR A 102 13.294 10.762 5.599 1.00 0.00 H new ATOM 0 HG21 THR A 102 14.835 10.864 2.416 1.00 0.00 H new ATOM 0 HG22 THR A 102 13.446 11.751 1.742 1.00 0.00 H new ATOM 0 HG23 THR A 102 14.355 12.429 3.114 1.00 0.00 H new ATOM 1556 N ASP A 103 9.818 10.691 4.854 1.00 0.00 N ATOM 1557 CA ASP A 103 8.968 10.055 5.853 1.00 0.00 C ATOM 1558 C ASP A 103 8.789 8.571 5.549 1.00 0.00 C ATOM 1559 O ASP A 103 7.932 8.188 4.752 1.00 0.00 O ATOM 1560 CB ASP A 103 7.604 10.745 5.907 1.00 0.00 C ATOM 1561 CG ASP A 103 7.573 11.890 6.900 1.00 0.00 C ATOM 1562 OD1 ASP A 103 8.149 12.954 6.595 1.00 0.00 O ATOM 1563 OD2 ASP A 103 6.973 11.721 7.983 1.00 0.00 O ATOM 0 H ASP A 103 9.364 10.853 3.955 1.00 0.00 H new ATOM 0 HA ASP A 103 9.455 10.153 6.823 1.00 0.00 H new ATOM 0 HB2 ASP A 103 7.351 11.121 4.916 1.00 0.00 H new ATOM 0 HB3 ASP A 103 6.841 10.014 6.175 1.00 0.00 H new ATOM 1568 N LYS A 104 9.604 7.738 6.187 1.00 0.00 N ATOM 1569 CA LYS A 104 9.538 6.296 5.986 1.00 0.00 C ATOM 1570 C LYS A 104 8.152 5.762 6.333 1.00 0.00 C ATOM 1571 O LYS A 104 7.474 6.292 7.213 1.00 0.00 O ATOM 1572 CB LYS A 104 10.595 5.592 6.839 1.00 0.00 C ATOM 1573 CG LYS A 104 11.928 5.414 6.131 1.00 0.00 C ATOM 1574 CD LYS A 104 13.048 5.126 7.117 1.00 0.00 C ATOM 1575 CE LYS A 104 13.675 6.410 7.639 1.00 0.00 C ATOM 1576 NZ LYS A 104 14.953 6.150 8.358 1.00 0.00 N ATOM 0 H LYS A 104 10.319 8.038 6.849 1.00 0.00 H new ATOM 0 HA LYS A 104 9.735 6.092 4.934 1.00 0.00 H new ATOM 0 HB2 LYS A 104 10.752 6.164 7.753 1.00 0.00 H new ATOM 0 HB3 LYS A 104 10.217 4.614 7.136 1.00 0.00 H new ATOM 0 HG2 LYS A 104 11.854 4.596 5.414 1.00 0.00 H new ATOM 0 HG3 LYS A 104 12.163 6.315 5.564 1.00 0.00 H new ATOM 0 HD2 LYS A 104 12.658 4.544 7.952 1.00 0.00 H new ATOM 0 HD3 LYS A 104 13.812 4.517 6.634 1.00 0.00 H new ATOM 0 HE2 LYS A 104 13.858 7.089 6.807 1.00 0.00 H new ATOM 0 HE3 LYS A 104 12.976 6.909 8.310 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 15.349 7.049 8.698 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 14.774 5.522 9.168 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 15.629 5.697 7.711 1.00 0.00 H new ATOM 1590 N ALA A 105 7.737 4.708 5.637 1.00 0.00 N ATOM 1591 CA ALA A 105 6.434 4.100 5.874 1.00 0.00 C ATOM 1592 C ALA A 105 6.499 2.585 5.722 1.00 0.00 C ATOM 1593 O ALA A 105 6.778 2.070 4.639 1.00 0.00 O ATOM 1594 CB ALA A 105 5.399 4.684 4.924 1.00 0.00 C ATOM 0 H ALA A 105 8.285 4.258 4.904 1.00 0.00 H new ATOM 0 HA ALA A 105 6.138 4.323 6.899 1.00 0.00 H new ATOM 0 HB1 ALA A 105 4.430 4.221 5.112 1.00 0.00 H new ATOM 0 HB2 ALA A 105 5.324 5.760 5.084 1.00 0.00 H new ATOM 0 HB3 ALA A 105 5.700 4.490 3.894 1.00 0.00 H new ATOM 1600 N THR A 106 6.241 1.873 6.815 1.00 0.00 N ATOM 1601 CA THR A 106 6.272 0.416 6.804 1.00 0.00 C ATOM 1602 C THR A 106 5.176 -0.150 5.908 1.00 0.00 C ATOM 1603 O THR A 106 4.051 0.348 5.896 1.00 0.00 O ATOM 1604 CB THR A 106 6.109 -0.161 8.223 1.00 0.00 C ATOM 1605 OG1 THR A 106 7.030 0.473 9.118 1.00 0.00 O ATOM 1606 CG2 THR A 106 6.343 -1.664 8.226 1.00 0.00 C ATOM 0 H THR A 106 6.008 2.283 7.720 1.00 0.00 H new ATOM 0 HA THR A 106 7.246 0.124 6.411 1.00 0.00 H new ATOM 0 HB THR A 106 5.089 0.032 8.555 1.00 0.00 H new ATOM 0 HG1 THR A 106 6.919 0.102 10.018 1.00 0.00 H new ATOM 0 HG21 THR A 106 6.223 -2.049 9.239 1.00 0.00 H new ATOM 0 HG22 THR A 106 5.621 -2.146 7.566 1.00 0.00 H new ATOM 0 HG23 THR A 106 7.353 -1.876 7.875 1.00 0.00 H new ATOM 1614 N VAL A 107 5.512 -1.196 5.159 1.00 0.00 N ATOM 1615 CA VAL A 107 4.555 -1.832 4.261 1.00 0.00 C ATOM 1616 C VAL A 107 4.488 -3.335 4.505 1.00 0.00 C ATOM 1617 O VAL A 107 5.406 -4.074 4.149 1.00 0.00 O ATOM 1618 CB VAL A 107 4.916 -1.577 2.786 1.00 0.00 C ATOM 1619 CG1 VAL A 107 3.946 -2.304 1.866 1.00 0.00 C ATOM 1620 CG2 VAL A 107 4.927 -0.085 2.490 1.00 0.00 C ATOM 0 H VAL A 107 6.439 -1.621 5.156 1.00 0.00 H new ATOM 0 HA VAL A 107 3.581 -1.390 4.470 1.00 0.00 H new ATOM 0 HB VAL A 107 5.917 -1.968 2.602 1.00 0.00 H new ATOM 0 HG11 VAL A 107 4.216 -2.112 0.828 1.00 0.00 H new ATOM 0 HG12 VAL A 107 3.993 -3.375 2.061 1.00 0.00 H new ATOM 0 HG13 VAL A 107 2.933 -1.946 2.049 1.00 0.00 H new ATOM 0 HG21 VAL A 107 5.184 0.076 1.443 1.00 0.00 H new ATOM 0 HG22 VAL A 107 3.940 0.333 2.690 1.00 0.00 H new ATOM 0 HG23 VAL A 107 5.665 0.406 3.125 1.00 0.00 H new ATOM 1630 N VAL A 108 3.395 -3.783 5.114 1.00 0.00 N ATOM 1631 CA VAL A 108 3.206 -5.199 5.404 1.00 0.00 C ATOM 1632 C VAL A 108 2.331 -5.865 4.348 1.00 0.00 C ATOM 1633 O VAL A 108 1.176 -5.483 4.153 1.00 0.00 O ATOM 1634 CB VAL A 108 2.569 -5.408 6.790 1.00 0.00 C ATOM 1635 CG1 VAL A 108 2.383 -6.891 7.075 1.00 0.00 C ATOM 1636 CG2 VAL A 108 3.415 -4.752 7.870 1.00 0.00 C ATOM 0 H VAL A 108 2.626 -3.185 5.416 1.00 0.00 H new ATOM 0 HA VAL A 108 4.194 -5.658 5.394 1.00 0.00 H new ATOM 0 HB VAL A 108 1.587 -4.936 6.793 1.00 0.00 H new ATOM 0 HG11 VAL A 108 1.932 -7.019 8.059 1.00 0.00 H new ATOM 0 HG12 VAL A 108 1.732 -7.328 6.318 1.00 0.00 H new ATOM 0 HG13 VAL A 108 3.352 -7.390 7.053 1.00 0.00 H new ATOM 0 HG21 VAL A 108 2.949 -4.910 8.843 1.00 0.00 H new ATOM 0 HG22 VAL A 108 4.412 -5.193 7.869 1.00 0.00 H new ATOM 0 HG23 VAL A 108 3.491 -3.683 7.673 1.00 0.00 H new ATOM 1646 N LEU A 109 2.887 -6.862 3.669 1.00 0.00 N ATOM 1647 CA LEU A 109 2.156 -7.583 2.632 1.00 0.00 C ATOM 1648 C LEU A 109 1.973 -9.048 3.014 1.00 0.00 C ATOM 1649 O LEU A 109 2.875 -9.865 2.831 1.00 0.00 O ATOM 1650 CB LEU A 109 2.894 -7.480 1.296 1.00 0.00 C ATOM 1651 CG LEU A 109 3.207 -6.065 0.809 1.00 0.00 C ATOM 1652 CD1 LEU A 109 4.021 -6.110 -0.474 1.00 0.00 C ATOM 1653 CD2 LEU A 109 1.922 -5.276 0.601 1.00 0.00 C ATOM 0 H LEU A 109 3.841 -7.190 3.817 1.00 0.00 H new ATOM 0 HA LEU A 109 1.171 -7.127 2.532 1.00 0.00 H new ATOM 0 HB2 LEU A 109 3.832 -8.030 1.378 1.00 0.00 H new ATOM 0 HB3 LEU A 109 2.297 -7.981 0.534 1.00 0.00 H new ATOM 0 HG LEU A 109 3.799 -5.561 1.573 1.00 0.00 H new ATOM 0 HD11 LEU A 109 4.234 -5.094 -0.805 1.00 0.00 H new ATOM 0 HD12 LEU A 109 4.958 -6.636 -0.292 1.00 0.00 H new ATOM 0 HD13 LEU A 109 3.455 -6.632 -1.246 1.00 0.00 H new ATOM 0 HD21 LEU A 109 2.164 -4.271 0.254 1.00 0.00 H new ATOM 0 HD22 LEU A 109 1.304 -5.778 -0.143 1.00 0.00 H new ATOM 0 HD23 LEU A 109 1.377 -5.213 1.543 1.00 0.00 H new ATOM 1665 N ASN A 110 0.798 -9.374 3.544 1.00 0.00 N ATOM 1666 CA ASN A 110 0.496 -10.742 3.950 1.00 0.00 C ATOM 1667 C ASN A 110 0.311 -11.642 2.732 1.00 0.00 C ATOM 1668 O ASN A 110 -0.550 -11.392 1.888 1.00 0.00 O ATOM 1669 CB ASN A 110 -0.764 -10.772 4.817 1.00 0.00 C ATOM 1670 CG ASN A 110 -0.560 -10.091 6.157 1.00 0.00 C ATOM 1671 OD1 ASN A 110 -0.210 -10.735 7.146 1.00 0.00 O ATOM 1672 ND2 ASN A 110 -0.780 -8.782 6.194 1.00 0.00 N ATOM 0 H ASN A 110 0.040 -8.710 3.702 1.00 0.00 H new ATOM 0 HA ASN A 110 1.338 -11.117 4.532 1.00 0.00 H new ATOM 0 HB2 ASN A 110 -1.580 -10.283 4.285 1.00 0.00 H new ATOM 0 HB3 ASN A 110 -1.065 -11.807 4.980 1.00 0.00 H new ATOM 0 HD21 ASN A 110 -0.660 -8.269 7.067 1.00 0.00 H new ATOM 0 HD22 ASN A 110 -1.069 -8.289 5.349 1.00 0.00 H new ATOM 1679 N ILE A 111 1.123 -12.690 2.649 1.00 0.00 N ATOM 1680 CA ILE A 111 1.047 -13.628 1.536 1.00 0.00 C ATOM 1681 C ILE A 111 -0.208 -14.489 1.627 1.00 0.00 C ATOM 1682 O ILE A 111 -0.321 -15.351 2.498 1.00 0.00 O ATOM 1683 CB ILE A 111 2.283 -14.546 1.488 1.00 0.00 C ATOM 1684 CG1 ILE A 111 3.556 -13.715 1.312 1.00 0.00 C ATOM 1685 CG2 ILE A 111 2.146 -15.560 0.362 1.00 0.00 C ATOM 1686 CD1 ILE A 111 3.538 -12.835 0.081 1.00 0.00 C ATOM 0 H ILE A 111 1.841 -12.911 3.339 1.00 0.00 H new ATOM 0 HA ILE A 111 1.011 -13.032 0.624 1.00 0.00 H new ATOM 0 HB ILE A 111 2.352 -15.087 2.432 1.00 0.00 H new ATOM 0 HG12 ILE A 111 3.697 -13.090 2.194 1.00 0.00 H new ATOM 0 HG13 ILE A 111 4.413 -14.386 1.257 1.00 0.00 H new ATOM 0 HG21 ILE A 111 3.027 -16.201 0.341 1.00 0.00 H new ATOM 0 HG22 ILE A 111 1.257 -16.169 0.527 1.00 0.00 H new ATOM 0 HG23 ILE A 111 2.055 -15.037 -0.590 1.00 0.00 H new ATOM 0 HD11 ILE A 111 4.471 -12.275 0.020 1.00 0.00 H new ATOM 0 HD12 ILE A 111 3.429 -13.456 -0.808 1.00 0.00 H new ATOM 0 HD13 ILE A 111 2.701 -12.139 0.143 1.00 0.00 H new ATOM 1698 N LYS A 112 -1.149 -14.250 0.720 1.00 0.00 N ATOM 1699 CA LYS A 112 -2.397 -15.005 0.694 1.00 0.00 C ATOM 1700 C LYS A 112 -2.261 -16.250 -0.176 1.00 0.00 C ATOM 1701 O LYS A 112 -1.261 -16.426 -0.873 1.00 0.00 O ATOM 1702 CB LYS A 112 -3.537 -14.127 0.173 1.00 0.00 C ATOM 1703 CG LYS A 112 -3.914 -12.997 1.115 1.00 0.00 C ATOM 1704 CD LYS A 112 -4.659 -13.513 2.335 1.00 0.00 C ATOM 1705 CE LYS A 112 -6.142 -13.690 2.049 1.00 0.00 C ATOM 1706 NZ LYS A 112 -6.834 -12.383 1.878 1.00 0.00 N ATOM 0 H LYS A 112 -1.071 -13.539 -0.007 1.00 0.00 H new ATOM 0 HA LYS A 112 -2.625 -15.318 1.713 1.00 0.00 H new ATOM 0 HB2 LYS A 112 -3.249 -13.705 -0.790 1.00 0.00 H new ATOM 0 HB3 LYS A 112 -4.414 -14.751 -0.002 1.00 0.00 H new ATOM 0 HG2 LYS A 112 -3.014 -12.471 1.433 1.00 0.00 H new ATOM 0 HG3 LYS A 112 -4.536 -12.274 0.587 1.00 0.00 H new ATOM 0 HD2 LYS A 112 -4.231 -14.466 2.648 1.00 0.00 H new ATOM 0 HD3 LYS A 112 -4.528 -12.817 3.164 1.00 0.00 H new ATOM 0 HE2 LYS A 112 -6.269 -14.289 1.147 1.00 0.00 H new ATOM 0 HE3 LYS A 112 -6.606 -14.242 2.866 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 -7.744 -12.403 2.382 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 -6.240 -11.622 2.266 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 -7.002 -12.209 0.867 1.00 0.00 H new ATOM 1720 N ASP A 113 -3.273 -17.110 -0.132 1.00 0.00 N ATOM 1721 CA ASP A 113 -3.268 -18.337 -0.919 1.00 0.00 C ATOM 1722 C ASP A 113 -4.405 -18.336 -1.935 1.00 0.00 C ATOM 1723 O ASP A 113 -5.527 -18.738 -1.626 1.00 0.00 O ATOM 1724 CB ASP A 113 -3.387 -19.556 -0.002 1.00 0.00 C ATOM 1725 CG ASP A 113 -2.054 -19.967 0.591 1.00 0.00 C ATOM 1726 OD1 ASP A 113 -1.303 -20.698 -0.088 1.00 0.00 O ATOM 1727 OD2 ASP A 113 -1.762 -19.559 1.735 1.00 0.00 O ATOM 0 H ASP A 113 -4.107 -16.980 0.441 1.00 0.00 H new ATOM 0 HA ASP A 113 -2.323 -18.389 -1.460 1.00 0.00 H new ATOM 0 HB2 ASP A 113 -4.087 -19.334 0.804 1.00 0.00 H new ATOM 0 HB3 ASP A 113 -3.804 -20.391 -0.565 1.00 0.00 H new ATOM 1732 N GLU A 114 -4.108 -17.881 -3.148 1.00 0.00 N ATOM 1733 CA GLU A 114 -5.107 -17.826 -4.209 1.00 0.00 C ATOM 1734 C GLU A 114 -5.209 -19.167 -4.931 1.00 0.00 C ATOM 1735 O GLU A 114 -6.297 -19.722 -5.081 1.00 0.00 O ATOM 1736 CB GLU A 114 -4.761 -16.721 -5.209 1.00 0.00 C ATOM 1737 CG GLU A 114 -5.661 -16.705 -6.434 1.00 0.00 C ATOM 1738 CD GLU A 114 -7.119 -16.483 -6.083 1.00 0.00 C ATOM 1739 OE1 GLU A 114 -7.414 -15.499 -5.373 1.00 0.00 O ATOM 1740 OE2 GLU A 114 -7.965 -17.292 -6.519 1.00 0.00 O ATOM 0 H GLU A 114 -3.184 -17.545 -3.420 1.00 0.00 H new ATOM 0 HA GLU A 114 -6.072 -17.604 -3.753 1.00 0.00 H new ATOM 0 HB2 GLU A 114 -4.827 -15.755 -4.708 1.00 0.00 H new ATOM 0 HB3 GLU A 114 -3.727 -16.844 -5.530 1.00 0.00 H new ATOM 0 HG2 GLU A 114 -5.331 -15.919 -7.113 1.00 0.00 H new ATOM 0 HG3 GLU A 114 -5.559 -17.650 -6.967 1.00 0.00 H new ATOM 1747 N ASN A 115 -4.067 -19.681 -5.375 1.00 0.00 N ATOM 1748 CA ASN A 115 -4.026 -20.956 -6.082 1.00 0.00 C ATOM 1749 C ASN A 115 -4.403 -22.106 -5.152 1.00 0.00 C ATOM 1750 O ASN A 115 -5.217 -22.961 -5.503 1.00 0.00 O ATOM 1751 CB ASN A 115 -2.633 -21.195 -6.667 1.00 0.00 C ATOM 1752 CG ASN A 115 -2.424 -22.635 -7.095 1.00 0.00 C ATOM 1753 OD1 ASN A 115 -3.381 -23.355 -7.378 1.00 0.00 O ATOM 1754 ND2 ASN A 115 -1.167 -23.061 -7.143 1.00 0.00 N ATOM 0 H ASN A 115 -3.158 -19.234 -5.258 1.00 0.00 H new ATOM 0 HA ASN A 115 -4.752 -20.915 -6.894 1.00 0.00 H new ATOM 0 HB2 ASN A 115 -2.485 -20.539 -7.525 1.00 0.00 H new ATOM 0 HB3 ASN A 115 -1.880 -20.926 -5.926 1.00 0.00 H new ATOM 0 HD21 ASN A 115 -0.964 -24.020 -7.423 1.00 0.00 H new ATOM 0 HD22 ASN A 115 -0.405 -22.429 -6.900 1.00 0.00 H new ATOM 1761 N ASP A 116 -3.806 -22.120 -3.966 1.00 0.00 N ATOM 1762 CA ASP A 116 -4.079 -23.163 -2.984 1.00 0.00 C ATOM 1763 C ASP A 116 -5.522 -23.085 -2.496 1.00 0.00 C ATOM 1764 O ASP A 116 -5.832 -22.348 -1.560 1.00 0.00 O ATOM 1765 CB ASP A 116 -3.119 -23.043 -1.799 1.00 0.00 C ATOM 1766 CG ASP A 116 -3.678 -23.667 -0.536 1.00 0.00 C ATOM 1767 OD1 ASP A 116 -4.343 -24.719 -0.638 1.00 0.00 O ATOM 1768 OD2 ASP A 116 -3.448 -23.105 0.555 1.00 0.00 O ATOM 0 H ASP A 116 -3.129 -21.421 -3.661 1.00 0.00 H new ATOM 0 HA ASP A 116 -3.929 -24.129 -3.466 1.00 0.00 H new ATOM 0 HB2 ASP A 116 -2.174 -23.524 -2.051 1.00 0.00 H new ATOM 0 HB3 ASP A 116 -2.902 -21.991 -1.616 1.00 0.00 H new ATOM 1773 N ASN A 117 -6.401 -23.849 -3.137 1.00 0.00 N ATOM 1774 CA ASN A 117 -7.812 -23.865 -2.768 1.00 0.00 C ATOM 1775 C ASN A 117 -7.983 -24.168 -1.283 1.00 0.00 C ATOM 1776 O ASN A 117 -8.668 -23.440 -0.564 1.00 0.00 O ATOM 1777 CB ASN A 117 -8.566 -24.902 -3.603 1.00 0.00 C ATOM 1778 CG ASN A 117 -10.023 -24.532 -3.805 1.00 0.00 C ATOM 1779 OD1 ASN A 117 -10.923 -25.225 -3.331 1.00 0.00 O ATOM 1780 ND2 ASN A 117 -10.261 -23.434 -4.513 1.00 0.00 N ATOM 0 H ASN A 117 -6.161 -24.465 -3.914 1.00 0.00 H new ATOM 0 HA ASN A 117 -8.226 -22.877 -2.968 1.00 0.00 H new ATOM 0 HB2 ASN A 117 -8.082 -25.004 -4.574 1.00 0.00 H new ATOM 0 HB3 ASN A 117 -8.505 -25.874 -3.113 1.00 0.00 H new ATOM 0 HD21 ASN A 117 -11.221 -23.135 -4.683 1.00 0.00 H new ATOM 0 HD22 ASN A 117 -9.484 -22.890 -4.887 1.00 0.00 H new ATOM 1787 N VAL A 118 -7.355 -25.248 -0.829 1.00 0.00 N ATOM 1788 CA VAL A 118 -7.436 -25.648 0.571 1.00 0.00 C ATOM 1789 C VAL A 118 -6.058 -25.986 1.126 1.00 0.00 C ATOM 1790 O VAL A 118 -5.245 -26.648 0.480 1.00 0.00 O ATOM 1791 CB VAL A 118 -8.364 -26.863 0.755 1.00 0.00 C ATOM 1792 CG1 VAL A 118 -7.838 -28.059 -0.023 1.00 0.00 C ATOM 1793 CG2 VAL A 118 -8.513 -27.201 2.231 1.00 0.00 C ATOM 0 H VAL A 118 -6.784 -25.862 -1.410 1.00 0.00 H new ATOM 0 HA VAL A 118 -7.847 -24.800 1.119 1.00 0.00 H new ATOM 0 HB VAL A 118 -9.349 -26.609 0.363 1.00 0.00 H new ATOM 0 HG11 VAL A 118 -8.507 -28.908 0.119 1.00 0.00 H new ATOM 0 HG12 VAL A 118 -7.788 -27.810 -1.083 1.00 0.00 H new ATOM 0 HG13 VAL A 118 -6.842 -28.317 0.337 1.00 0.00 H new ATOM 0 HG21 VAL A 118 -9.172 -28.062 2.342 1.00 0.00 H new ATOM 0 HG22 VAL A 118 -7.535 -27.436 2.651 1.00 0.00 H new ATOM 0 HG23 VAL A 118 -8.939 -26.347 2.759 1.00 0.00 H new ATOM 1803 N PRO A 119 -5.785 -25.522 2.355 1.00 0.00 N ATOM 1804 CA PRO A 119 -4.504 -25.764 3.026 1.00 0.00 C ATOM 1805 C PRO A 119 -4.329 -27.223 3.432 1.00 0.00 C ATOM 1806 O PRO A 119 -4.790 -27.642 4.493 1.00 0.00 O ATOM 1807 CB PRO A 119 -4.579 -24.870 4.266 1.00 0.00 C ATOM 1808 CG PRO A 119 -6.037 -24.710 4.531 1.00 0.00 C ATOM 1809 CD PRO A 119 -6.706 -24.726 3.184 1.00 0.00 C ATOM 0 HA PRO A 119 -3.656 -25.546 2.377 1.00 0.00 H new ATOM 0 HB2 PRO A 119 -4.070 -25.327 5.115 1.00 0.00 H new ATOM 0 HB3 PRO A 119 -4.101 -23.907 4.089 1.00 0.00 H new ATOM 0 HG2 PRO A 119 -6.410 -25.517 5.162 1.00 0.00 H new ATOM 0 HG3 PRO A 119 -6.238 -23.776 5.056 1.00 0.00 H new ATOM 0 HD2 PRO A 119 -7.696 -25.179 3.233 1.00 0.00 H new ATOM 0 HD3 PRO A 119 -6.835 -23.719 2.787 1.00 0.00 H new TER 1817 PRO A 119