USER MOD reduce.3.24.130724 H: found=0, std=0, add=589, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 589 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 9 SER OG : rot 140:sc= 0 USER MOD Set 1.2: A 11 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET CE :methyl 142:sc= -0.225 (180deg=-0.868) USER MOD Single : A 1 MET N :NH3+ -174:sc= -0.0879 (180deg=-0.139) USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=-0.0065) USER MOD Single : A 4 HIS : no HD1:sc=-0.00148 X(o=-0.0015,f=-0.098) USER MOD Single : A 5 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 6 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 7 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 8 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 10 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 ASN : amide:sc= -1.34 K(o=-1.3,f=0) USER MOD Single : A 29 MET CE :methyl 176:sc= -2.55! (180deg=-2.6!) USER MOD Single : A 30 LYS NZ :NH3+ 162:sc= -0.08 (180deg=-0.491) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 GLN : amide:sc= -0.966 K(o=-0.97,f=-0.035) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 48 THR OG1 : rot 180:sc= -0.501 USER MOD Single : A 49 LYS NZ :NH3+ -155:sc= 1.34 (180deg=1.23) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0.0047 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 GLN : amide:sc= -0.241 K(o=-0.24,f=-1.2) USER MOD Single : A 62 GLN : amide:sc= 0.525 K(o=0.52,f=-0.0061) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 13.972 -14.793 -49.566 1.00 54.40 N ATOM 2 CA MET A 1 13.752 -13.540 -48.808 1.00 73.13 C ATOM 3 C MET A 1 12.929 -12.540 -49.622 1.00 22.13 C ATOM 4 O MET A 1 12.346 -11.611 -49.066 1.00 70.35 O ATOM 5 CB MET A 1 15.097 -12.916 -48.424 1.00 73.04 C ATOM 6 CG MET A 1 14.980 -11.711 -47.502 1.00 41.32 C ATOM 7 SD MET A 1 16.584 -10.980 -47.114 1.00 35.21 S ATOM 8 CE MET A 1 17.144 -10.505 -48.748 1.00 63.24 C ATOM 0 H1 MET A 1 14.444 -15.490 -48.955 1.00 54.40 H new ATOM 0 H2 MET A 1 13.057 -15.173 -49.882 1.00 54.40 H new ATOM 0 H3 MET A 1 14.570 -14.597 -50.394 1.00 54.40 H new ATOM 0 HA MET A 1 13.195 -13.785 -47.904 1.00 73.13 H new ATOM 0 HB2 MET A 1 15.712 -13.674 -47.938 1.00 73.04 H new ATOM 0 HB3 MET A 1 15.619 -12.616 -49.333 1.00 73.04 H new ATOM 0 HG2 MET A 1 14.345 -10.959 -47.971 1.00 41.32 H new ATOM 0 HG3 MET A 1 14.488 -12.012 -46.577 1.00 41.32 H new ATOM 0 HE1 MET A 1 17.667 -9.550 -48.690 1.00 63.24 H new ATOM 0 HE2 MET A 1 17.820 -11.266 -49.136 1.00 63.24 H new ATOM 0 HE3 MET A 1 16.286 -10.409 -49.413 1.00 63.24 H new ATOM 20 N GLY A 2 12.864 -12.748 -50.939 1.00 52.30 N ATOM 21 CA GLY A 2 12.194 -11.805 -51.826 1.00 43.44 C ATOM 22 C GLY A 2 10.678 -11.880 -51.760 1.00 61.33 C ATOM 23 O GLY A 2 9.985 -11.095 -52.405 1.00 3.04 O ATOM 0 H GLY A 2 13.266 -13.559 -51.410 1.00 52.30 H new ATOM 0 HA2 GLY A 2 12.511 -10.793 -51.573 1.00 43.44 H new ATOM 0 HA3 GLY A 2 12.514 -11.992 -52.851 1.00 43.44 H new ATOM 27 N HIS A 3 10.161 -12.835 -51.005 1.00 73.44 N ATOM 28 CA HIS A 3 8.720 -12.947 -50.802 1.00 42.43 C ATOM 29 C HIS A 3 8.394 -12.923 -49.318 1.00 1.33 C ATOM 30 O HIS A 3 7.451 -12.261 -48.887 1.00 54.30 O ATOM 31 CB HIS A 3 8.172 -14.220 -51.446 1.00 74.14 C ATOM 32 CG HIS A 3 8.215 -14.198 -52.941 1.00 33.42 C ATOM 33 ND1 HIS A 3 9.100 -14.950 -53.682 1.00 24.52 N ATOM 34 CD2 HIS A 3 7.474 -13.505 -53.838 1.00 54.13 C ATOM 35 CE1 HIS A 3 8.900 -14.723 -54.965 1.00 33.01 C ATOM 36 NE2 HIS A 3 7.920 -13.852 -55.085 1.00 32.34 N ATOM 0 H HIS A 3 10.713 -13.544 -50.522 1.00 73.44 H new ATOM 0 HA HIS A 3 8.242 -12.093 -51.282 1.00 42.43 H new ATOM 0 HB2 HIS A 3 8.744 -15.075 -51.086 1.00 74.14 H new ATOM 0 HB3 HIS A 3 7.142 -14.367 -51.122 1.00 74.14 H new ATOM 0 HD2 HIS A 3 6.680 -12.809 -53.612 1.00 54.13 H new ATOM 0 HE1 HIS A 3 9.447 -15.175 -55.779 1.00 33.01 H new ATOM 0 HE2 HIS A 3 7.552 -13.493 -55.966 1.00 32.34 H new ATOM 45 N HIS A 4 9.180 -13.646 -48.536 1.00 44.43 N ATOM 46 CA HIS A 4 9.045 -13.616 -47.087 1.00 44.25 C ATOM 47 C HIS A 4 10.214 -12.855 -46.491 1.00 61.03 C ATOM 48 O HIS A 4 11.352 -13.326 -46.518 1.00 42.15 O ATOM 49 CB HIS A 4 8.981 -15.029 -46.498 1.00 65.34 C ATOM 50 CG HIS A 4 7.764 -15.799 -46.910 1.00 12.34 C ATOM 51 ND1 HIS A 4 6.496 -15.265 -46.895 1.00 34.04 N ATOM 52 CD2 HIS A 4 7.628 -17.068 -47.357 1.00 11.00 C ATOM 53 CE1 HIS A 4 5.633 -16.169 -47.316 1.00 72.40 C ATOM 54 NE2 HIS A 4 6.295 -17.274 -47.603 1.00 42.02 N ATOM 0 H HIS A 4 9.918 -14.261 -48.879 1.00 44.43 H new ATOM 0 HA HIS A 4 8.110 -13.114 -46.839 1.00 44.25 H new ATOM 0 HB2 HIS A 4 9.870 -15.581 -46.804 1.00 65.34 H new ATOM 0 HB3 HIS A 4 9.006 -14.961 -45.410 1.00 65.34 H new ATOM 0 HD2 HIS A 4 8.423 -17.786 -47.495 1.00 11.00 H new ATOM 0 HE1 HIS A 4 4.566 -16.029 -47.410 1.00 72.40 H new ATOM 0 HE2 HIS A 4 5.883 -18.140 -47.951 1.00 42.02 H new ATOM 63 N HIS A 5 9.935 -11.669 -45.979 1.00 74.25 N ATOM 64 CA HIS A 5 10.985 -10.791 -45.489 1.00 11.23 C ATOM 65 C HIS A 5 10.910 -10.661 -43.974 1.00 71.11 C ATOM 66 O HIS A 5 9.923 -10.162 -43.432 1.00 41.50 O ATOM 67 CB HIS A 5 10.858 -9.414 -46.144 1.00 33.43 C ATOM 68 CG HIS A 5 12.107 -8.591 -46.079 1.00 31.03 C ATOM 69 ND1 HIS A 5 12.878 -8.320 -47.186 1.00 13.33 N ATOM 70 CD2 HIS A 5 12.708 -7.962 -45.042 1.00 71.43 C ATOM 71 CE1 HIS A 5 13.898 -7.562 -46.834 1.00 21.31 C ATOM 72 NE2 HIS A 5 13.818 -7.328 -45.537 1.00 4.20 N ATOM 0 H HIS A 5 8.992 -11.291 -45.891 1.00 74.25 H new ATOM 0 HA HIS A 5 11.952 -11.222 -45.749 1.00 11.23 H new ATOM 0 HB2 HIS A 5 10.575 -9.545 -47.189 1.00 33.43 H new ATOM 0 HB3 HIS A 5 10.049 -8.866 -45.661 1.00 33.43 H new ATOM 0 HD2 HIS A 5 12.375 -7.960 -44.015 1.00 71.43 H new ATOM 0 HE1 HIS A 5 14.669 -7.195 -47.495 1.00 21.31 H new ATOM 0 HE2 HIS A 5 14.474 -6.768 -44.993 1.00 4.20 H new ATOM 81 N HIS A 6 11.947 -11.130 -43.298 1.00 64.23 N ATOM 82 CA HIS A 6 12.040 -11.012 -41.852 1.00 5.45 C ATOM 83 C HIS A 6 13.158 -10.060 -41.462 1.00 31.42 C ATOM 84 O HIS A 6 14.333 -10.319 -41.727 1.00 15.45 O ATOM 85 CB HIS A 6 12.280 -12.377 -41.208 1.00 32.52 C ATOM 86 CG HIS A 6 11.064 -13.250 -41.179 1.00 31.22 C ATOM 87 ND1 HIS A 6 10.282 -13.404 -40.055 1.00 70.31 N ATOM 88 CD2 HIS A 6 10.499 -14.021 -42.137 1.00 40.44 C ATOM 89 CE1 HIS A 6 9.287 -14.228 -40.322 1.00 42.32 C ATOM 90 NE2 HIS A 6 9.396 -14.617 -41.579 1.00 32.12 N ATOM 0 H HIS A 6 12.742 -11.599 -43.732 1.00 64.23 H new ATOM 0 HA HIS A 6 11.092 -10.614 -41.490 1.00 5.45 H new ATOM 0 HB2 HIS A 6 13.073 -12.891 -41.751 1.00 32.52 H new ATOM 0 HB3 HIS A 6 12.636 -12.230 -40.188 1.00 32.52 H new ATOM 0 HD2 HIS A 6 10.850 -14.144 -43.151 1.00 40.44 H new ATOM 0 HE1 HIS A 6 8.515 -14.532 -39.631 1.00 42.32 H new ATOM 0 HE2 HIS A 6 8.763 -15.257 -42.058 1.00 32.12 H new ATOM 99 N HIS A 7 12.784 -8.948 -40.851 1.00 22.33 N ATOM 100 CA HIS A 7 13.757 -7.977 -40.372 1.00 53.25 C ATOM 101 C HIS A 7 13.239 -7.302 -39.105 1.00 52.44 C ATOM 102 O HIS A 7 13.867 -6.392 -38.563 1.00 3.35 O ATOM 103 CB HIS A 7 14.049 -6.937 -41.454 1.00 41.34 C ATOM 104 CG HIS A 7 15.413 -6.325 -41.343 1.00 71.13 C ATOM 105 ND1 HIS A 7 15.642 -5.072 -40.826 1.00 24.12 N ATOM 106 CD2 HIS A 7 16.628 -6.809 -41.699 1.00 44.31 C ATOM 107 CE1 HIS A 7 16.935 -4.807 -40.873 1.00 63.15 C ATOM 108 NE2 HIS A 7 17.556 -5.845 -41.397 1.00 31.12 N ATOM 0 H HIS A 7 11.812 -8.694 -40.674 1.00 22.33 H new ATOM 0 HA HIS A 7 14.687 -8.495 -40.137 1.00 53.25 H new ATOM 0 HB2 HIS A 7 13.948 -7.405 -42.433 1.00 41.34 H new ATOM 0 HB3 HIS A 7 13.300 -6.147 -41.399 1.00 41.34 H new ATOM 0 HD2 HIS A 7 16.828 -7.775 -42.139 1.00 44.31 H new ATOM 0 HE1 HIS A 7 17.404 -3.894 -40.538 1.00 63.15 H new ATOM 0 HE2 HIS A 7 18.561 -5.919 -41.552 1.00 31.12 H new ATOM 117 N HIS A 8 12.078 -7.750 -38.644 1.00 24.13 N ATOM 118 CA HIS A 8 11.481 -7.238 -37.416 1.00 71.42 C ATOM 119 C HIS A 8 10.978 -8.396 -36.573 1.00 61.51 C ATOM 120 O HIS A 8 10.637 -9.451 -37.106 1.00 1.45 O ATOM 121 CB HIS A 8 10.312 -6.291 -37.710 1.00 34.54 C ATOM 122 CG HIS A 8 10.696 -5.029 -38.415 1.00 21.44 C ATOM 123 ND1 HIS A 8 10.838 -3.820 -37.770 1.00 3.31 N ATOM 124 CD2 HIS A 8 10.953 -4.790 -39.720 1.00 44.43 C ATOM 125 CE1 HIS A 8 11.166 -2.892 -38.649 1.00 63.15 C ATOM 126 NE2 HIS A 8 11.242 -3.454 -39.842 1.00 62.50 N ATOM 0 H HIS A 8 11.527 -8.473 -39.106 1.00 24.13 H new ATOM 0 HA HIS A 8 12.249 -6.681 -36.879 1.00 71.42 H new ATOM 0 HB2 HIS A 8 9.576 -6.820 -38.315 1.00 34.54 H new ATOM 0 HB3 HIS A 8 9.825 -6.033 -36.770 1.00 34.54 H new ATOM 0 HD2 HIS A 8 10.934 -5.516 -40.519 1.00 44.43 H new ATOM 0 HE1 HIS A 8 11.342 -1.849 -38.430 1.00 63.15 H new ATOM 0 HE2 HIS A 8 11.477 -2.974 -40.711 1.00 62.50 H new ATOM 135 N SER A 9 10.932 -8.208 -35.265 1.00 64.23 N ATOM 136 CA SER A 9 10.427 -9.240 -34.378 1.00 72.33 C ATOM 137 C SER A 9 9.708 -8.616 -33.183 1.00 63.44 C ATOM 138 O SER A 9 10.200 -7.661 -32.574 1.00 24.12 O ATOM 139 CB SER A 9 11.568 -10.145 -33.902 1.00 64.33 C ATOM 140 OG SER A 9 11.067 -11.308 -33.261 1.00 31.42 O ATOM 0 H SER A 9 11.237 -7.355 -34.796 1.00 64.23 H new ATOM 0 HA SER A 9 9.712 -9.848 -34.932 1.00 72.33 H new ATOM 0 HB2 SER A 9 12.186 -10.433 -34.752 1.00 64.33 H new ATOM 0 HB3 SER A 9 12.209 -9.595 -33.213 1.00 64.33 H new ATOM 0 HG SER A 9 11.605 -12.084 -33.524 1.00 31.42 H new ATOM 146 N HIS A 10 8.542 -9.154 -32.862 1.00 3.14 N ATOM 147 CA HIS A 10 7.756 -8.691 -31.731 1.00 52.30 C ATOM 148 C HIS A 10 7.605 -9.829 -30.726 1.00 63.22 C ATOM 149 O HIS A 10 6.696 -10.651 -30.838 1.00 1.21 O ATOM 150 CB HIS A 10 6.384 -8.194 -32.212 1.00 0.41 C ATOM 151 CG HIS A 10 5.495 -7.672 -31.122 1.00 1.34 C ATOM 152 ND1 HIS A 10 5.624 -6.411 -30.584 1.00 72.13 N ATOM 153 CD2 HIS A 10 4.451 -8.247 -30.479 1.00 3.40 C ATOM 154 CE1 HIS A 10 4.697 -6.232 -29.660 1.00 44.00 C ATOM 155 NE2 HIS A 10 3.972 -7.331 -29.578 1.00 51.43 N ATOM 0 H HIS A 10 8.115 -9.923 -33.378 1.00 3.14 H new ATOM 0 HA HIS A 10 8.263 -7.858 -31.244 1.00 52.30 H new ATOM 0 HB2 HIS A 10 6.535 -7.406 -32.949 1.00 0.41 H new ATOM 0 HB3 HIS A 10 5.873 -9.012 -32.720 1.00 0.41 H new ATOM 0 HD2 HIS A 10 4.067 -9.243 -30.645 1.00 3.40 H new ATOM 0 HE1 HIS A 10 4.557 -5.337 -29.071 1.00 44.00 H new ATOM 0 HE2 HIS A 10 3.184 -7.476 -28.947 1.00 51.43 H new ATOM 164 N MET A 11 8.525 -9.901 -29.775 1.00 54.45 N ATOM 165 CA MET A 11 8.533 -10.987 -28.802 1.00 61.44 C ATOM 166 C MET A 11 7.860 -10.552 -27.508 1.00 42.13 C ATOM 167 O MET A 11 6.919 -11.196 -27.042 1.00 22.52 O ATOM 168 CB MET A 11 9.967 -11.440 -28.507 1.00 64.23 C ATOM 169 CG MET A 11 10.708 -11.982 -29.720 1.00 23.12 C ATOM 170 SD MET A 11 12.394 -12.500 -29.332 1.00 32.10 S ATOM 171 CE MET A 11 12.964 -13.009 -30.954 1.00 42.32 C ATOM 0 H MET A 11 9.276 -9.221 -29.655 1.00 54.45 H new ATOM 0 HA MET A 11 7.978 -11.823 -29.229 1.00 61.44 H new ATOM 0 HB2 MET A 11 10.526 -10.598 -28.099 1.00 64.23 H new ATOM 0 HB3 MET A 11 9.942 -12.210 -27.736 1.00 64.23 H new ATOM 0 HG2 MET A 11 10.157 -12.829 -30.129 1.00 23.12 H new ATOM 0 HG3 MET A 11 10.737 -11.216 -30.495 1.00 23.12 H new ATOM 0 HE1 MET A 11 13.994 -13.358 -30.885 1.00 42.32 H new ATOM 0 HE2 MET A 11 12.332 -13.816 -31.325 1.00 42.32 H new ATOM 0 HE3 MET A 11 12.912 -12.163 -31.640 1.00 42.32 H new ATOM 181 N SER A 12 8.346 -9.446 -26.951 1.00 20.40 N ATOM 182 CA SER A 12 7.886 -8.956 -25.657 1.00 53.52 C ATOM 183 C SER A 12 8.097 -10.015 -24.578 1.00 50.12 C ATOM 184 O SER A 12 7.157 -10.680 -24.130 1.00 44.22 O ATOM 185 CB SER A 12 6.423 -8.513 -25.728 1.00 21.13 C ATOM 186 OG SER A 12 6.281 -7.394 -26.593 1.00 22.20 O ATOM 0 H SER A 12 9.067 -8.867 -27.382 1.00 20.40 H new ATOM 0 HA SER A 12 8.479 -8.082 -25.389 1.00 53.52 H new ATOM 0 HB2 SER A 12 5.805 -9.337 -26.085 1.00 21.13 H new ATOM 0 HB3 SER A 12 6.066 -8.256 -24.731 1.00 21.13 H new ATOM 0 HG SER A 12 5.339 -7.125 -26.628 1.00 22.20 H new ATOM 192 N THR A 13 9.354 -10.174 -24.200 1.00 34.50 N ATOM 193 CA THR A 13 9.758 -11.179 -23.235 1.00 5.14 C ATOM 194 C THR A 13 9.344 -10.774 -21.821 1.00 70.25 C ATOM 195 O THR A 13 9.604 -9.647 -21.393 1.00 43.03 O ATOM 196 CB THR A 13 11.285 -11.374 -23.294 1.00 62.24 C ATOM 197 OG1 THR A 13 11.697 -11.495 -24.664 1.00 1.44 O ATOM 198 CG2 THR A 13 11.717 -12.611 -22.520 1.00 75.23 C ATOM 0 H THR A 13 10.124 -9.608 -24.555 1.00 34.50 H new ATOM 0 HA THR A 13 9.260 -12.116 -23.485 1.00 5.14 H new ATOM 0 HB THR A 13 11.759 -10.506 -22.835 1.00 62.24 H new ATOM 0 HG1 THR A 13 12.669 -11.617 -24.704 1.00 1.44 H new ATOM 0 HG21 THR A 13 12.800 -12.719 -22.582 1.00 75.23 H new ATOM 0 HG22 THR A 13 11.422 -12.508 -21.476 1.00 75.23 H new ATOM 0 HG23 THR A 13 11.239 -13.493 -22.947 1.00 75.23 H new ATOM 206 N PRO A 14 8.665 -11.682 -21.097 1.00 70.02 N ATOM 207 CA PRO A 14 8.263 -11.448 -19.705 1.00 74.05 C ATOM 208 C PRO A 14 9.453 -11.091 -18.818 1.00 43.43 C ATOM 209 O PRO A 14 10.482 -11.769 -18.837 1.00 55.22 O ATOM 210 CB PRO A 14 7.655 -12.786 -19.274 1.00 24.53 C ATOM 211 CG PRO A 14 7.227 -13.437 -20.545 1.00 3.44 C ATOM 212 CD PRO A 14 8.222 -13.003 -21.583 1.00 23.12 C ATOM 0 HA PRO A 14 7.574 -10.609 -19.615 1.00 74.05 H new ATOM 0 HB2 PRO A 14 8.383 -13.398 -18.742 1.00 24.53 H new ATOM 0 HB3 PRO A 14 6.810 -12.638 -18.601 1.00 24.53 H new ATOM 0 HG2 PRO A 14 7.216 -14.522 -20.444 1.00 3.44 H new ATOM 0 HG3 PRO A 14 6.217 -13.132 -20.820 1.00 3.44 H new ATOM 0 HD2 PRO A 14 9.054 -13.703 -21.660 1.00 23.12 H new ATOM 0 HD3 PRO A 14 7.769 -12.936 -22.572 1.00 23.12 H new ATOM 220 N LEU A 15 9.309 -10.019 -18.054 1.00 61.44 N ATOM 221 CA LEU A 15 10.375 -9.545 -17.188 1.00 63.55 C ATOM 222 C LEU A 15 10.485 -10.417 -15.942 1.00 52.31 C ATOM 223 O LEU A 15 9.476 -10.775 -15.330 1.00 34.25 O ATOM 224 CB LEU A 15 10.119 -8.087 -16.798 1.00 54.10 C ATOM 225 CG LEU A 15 10.015 -7.118 -17.978 1.00 40.54 C ATOM 226 CD1 LEU A 15 9.665 -5.722 -17.491 1.00 52.34 C ATOM 227 CD2 LEU A 15 11.315 -7.095 -18.768 1.00 73.22 C ATOM 0 H LEU A 15 8.458 -9.458 -18.017 1.00 61.44 H new ATOM 0 HA LEU A 15 11.319 -9.607 -17.730 1.00 63.55 H new ATOM 0 HB2 LEU A 15 9.195 -8.036 -16.221 1.00 54.10 H new ATOM 0 HB3 LEU A 15 10.923 -7.754 -16.142 1.00 54.10 H new ATOM 0 HG LEU A 15 9.218 -7.464 -18.637 1.00 40.54 H new ATOM 0 HD11 LEU A 15 9.595 -5.046 -18.343 1.00 52.34 H new ATOM 0 HD12 LEU A 15 8.708 -5.748 -16.969 1.00 52.34 H new ATOM 0 HD13 LEU A 15 10.440 -5.369 -16.811 1.00 52.34 H new ATOM 0 HD21 LEU A 15 11.221 -6.400 -19.603 1.00 73.22 H new ATOM 0 HD22 LEU A 15 12.130 -6.774 -18.119 1.00 73.22 H new ATOM 0 HD23 LEU A 15 11.527 -8.094 -19.149 1.00 73.22 H new ATOM 239 N THR A 16 11.711 -10.764 -15.580 1.00 53.43 N ATOM 240 CA THR A 16 11.955 -11.610 -14.427 1.00 5.23 C ATOM 241 C THR A 16 12.091 -10.765 -13.166 1.00 23.42 C ATOM 242 O THR A 16 13.013 -9.954 -13.044 1.00 50.23 O ATOM 243 CB THR A 16 13.231 -12.451 -14.627 1.00 74.25 C ATOM 244 OG1 THR A 16 13.248 -13.001 -15.954 1.00 35.22 O ATOM 245 CG2 THR A 16 13.301 -13.579 -13.607 1.00 32.15 C ATOM 0 H THR A 16 12.554 -10.470 -16.072 1.00 53.43 H new ATOM 0 HA THR A 16 11.104 -12.282 -14.317 1.00 5.23 H new ATOM 0 HB THR A 16 14.096 -11.802 -14.488 1.00 74.25 H new ATOM 0 HG1 THR A 16 14.062 -13.533 -16.077 1.00 35.22 H new ATOM 0 HG21 THR A 16 14.210 -14.159 -13.768 1.00 32.15 H new ATOM 0 HG22 THR A 16 13.311 -13.160 -12.601 1.00 32.15 H new ATOM 0 HG23 THR A 16 12.432 -14.227 -13.721 1.00 32.15 H new ATOM 253 N GLY A 17 11.160 -10.942 -12.244 1.00 72.55 N ATOM 254 CA GLY A 17 11.198 -10.205 -11.001 1.00 63.32 C ATOM 255 C GLY A 17 9.821 -9.788 -10.536 1.00 73.41 C ATOM 256 O GLY A 17 8.953 -10.640 -10.334 1.00 64.32 O ATOM 0 H GLY A 17 10.375 -11.586 -12.335 1.00 72.55 H new ATOM 0 HA2 GLY A 17 11.668 -10.818 -10.232 1.00 63.32 H new ATOM 0 HA3 GLY A 17 11.820 -9.319 -11.126 1.00 63.32 H new ATOM 260 N LYS A 18 9.633 -8.478 -10.377 1.00 63.12 N ATOM 261 CA LYS A 18 8.379 -7.896 -9.894 1.00 23.55 C ATOM 262 C LYS A 18 8.014 -8.397 -8.499 1.00 52.33 C ATOM 263 O LYS A 18 7.519 -9.511 -8.327 1.00 13.43 O ATOM 264 CB LYS A 18 7.223 -8.144 -10.870 1.00 72.10 C ATOM 265 CG LYS A 18 7.344 -7.351 -12.164 1.00 34.45 C ATOM 266 CD LYS A 18 6.027 -7.320 -12.929 1.00 53.33 C ATOM 267 CE LYS A 18 4.918 -6.684 -12.100 1.00 12.11 C ATOM 268 NZ LYS A 18 3.631 -6.617 -12.838 1.00 13.22 N ATOM 0 H LYS A 18 10.352 -7.784 -10.581 1.00 63.12 H new ATOM 0 HA LYS A 18 8.545 -6.821 -9.830 1.00 23.55 H new ATOM 0 HB2 LYS A 18 7.179 -9.207 -11.107 1.00 72.10 H new ATOM 0 HB3 LYS A 18 6.283 -7.887 -10.381 1.00 72.10 H new ATOM 0 HG2 LYS A 18 7.658 -6.332 -11.939 1.00 34.45 H new ATOM 0 HG3 LYS A 18 8.119 -7.792 -12.791 1.00 34.45 H new ATOM 0 HD2 LYS A 18 6.156 -6.762 -13.856 1.00 53.33 H new ATOM 0 HD3 LYS A 18 5.741 -8.335 -13.205 1.00 53.33 H new ATOM 0 HE2 LYS A 18 4.779 -7.256 -11.183 1.00 12.11 H new ATOM 0 HE3 LYS A 18 5.218 -5.678 -11.806 1.00 12.11 H new ATOM 0 HZ1 LYS A 18 2.907 -6.177 -12.234 1.00 13.22 H new ATOM 0 HZ2 LYS A 18 3.754 -6.049 -13.700 1.00 13.22 H new ATOM 0 HZ3 LYS A 18 3.329 -7.578 -13.097 1.00 13.22 H new ATOM 282 N PRO A 19 8.267 -7.569 -7.476 1.00 72.31 N ATOM 283 CA PRO A 19 7.955 -7.914 -6.091 1.00 64.23 C ATOM 284 C PRO A 19 6.454 -8.034 -5.844 1.00 72.24 C ATOM 285 O PRO A 19 5.700 -7.072 -6.018 1.00 32.40 O ATOM 286 CB PRO A 19 8.536 -6.750 -5.283 1.00 3.20 C ATOM 287 CG PRO A 19 8.620 -5.615 -6.243 1.00 55.23 C ATOM 288 CD PRO A 19 8.875 -6.230 -7.591 1.00 72.43 C ATOM 0 HA PRO A 19 8.368 -8.885 -5.818 1.00 64.23 H new ATOM 0 HB2 PRO A 19 7.898 -6.502 -4.434 1.00 3.20 H new ATOM 0 HB3 PRO A 19 9.518 -7.000 -4.881 1.00 3.20 H new ATOM 0 HG2 PRO A 19 7.696 -5.038 -6.246 1.00 55.23 H new ATOM 0 HG3 PRO A 19 9.422 -4.930 -5.968 1.00 55.23 H new ATOM 0 HD2 PRO A 19 8.417 -5.648 -8.391 1.00 72.43 H new ATOM 0 HD3 PRO A 19 9.941 -6.290 -7.810 1.00 72.43 H new ATOM 296 N GLY A 20 6.026 -9.225 -5.458 1.00 12.03 N ATOM 297 CA GLY A 20 4.645 -9.425 -5.076 1.00 54.01 C ATOM 298 C GLY A 20 4.424 -9.040 -3.632 1.00 25.34 C ATOM 299 O GLY A 20 3.385 -8.486 -3.274 1.00 52.30 O ATOM 0 H GLY A 20 6.612 -10.058 -5.402 1.00 12.03 H new ATOM 0 HA2 GLY A 20 3.996 -8.830 -5.719 1.00 54.01 H new ATOM 0 HA3 GLY A 20 4.370 -10.469 -5.224 1.00 54.01 H new ATOM 303 N ALA A 21 5.429 -9.320 -2.810 1.00 50.51 N ATOM 304 CA ALA A 21 5.394 -8.973 -1.399 1.00 3.35 C ATOM 305 C ALA A 21 5.652 -7.480 -1.207 1.00 65.43 C ATOM 306 O ALA A 21 5.761 -6.734 -2.179 1.00 21.23 O ATOM 307 CB ALA A 21 6.410 -9.805 -0.636 1.00 42.42 C ATOM 0 H ALA A 21 6.285 -9.791 -3.103 1.00 50.51 H new ATOM 0 HA ALA A 21 4.402 -9.193 -1.005 1.00 3.35 H new ATOM 0 HB1 ALA A 21 6.378 -9.539 0.421 1.00 42.42 H new ATOM 0 HB2 ALA A 21 6.174 -10.863 -0.752 1.00 42.42 H new ATOM 0 HB3 ALA A 21 7.408 -9.611 -1.029 1.00 42.42 H new ATOM 313 N LEU A 22 5.765 -7.050 0.039 1.00 3.02 N ATOM 314 CA LEU A 22 5.869 -5.629 0.343 1.00 53.10 C ATOM 315 C LEU A 22 7.295 -5.230 0.692 1.00 11.24 C ATOM 316 O LEU A 22 8.046 -6.015 1.274 1.00 32.23 O ATOM 317 CB LEU A 22 4.962 -5.266 1.517 1.00 4.30 C ATOM 318 CG LEU A 22 3.473 -5.500 1.300 1.00 2.32 C ATOM 319 CD1 LEU A 22 2.700 -5.114 2.551 1.00 42.13 C ATOM 320 CD2 LEU A 22 2.980 -4.710 0.100 1.00 55.33 C ATOM 0 H LEU A 22 5.787 -7.661 0.855 1.00 3.02 H new ATOM 0 HA LEU A 22 5.560 -5.090 -0.553 1.00 53.10 H new ATOM 0 HB2 LEU A 22 5.278 -5.841 2.387 1.00 4.30 H new ATOM 0 HB3 LEU A 22 5.114 -4.214 1.758 1.00 4.30 H new ATOM 0 HG LEU A 22 3.308 -6.559 1.100 1.00 2.32 H new ATOM 0 HD11 LEU A 22 1.636 -5.284 2.388 1.00 42.13 H new ATOM 0 HD12 LEU A 22 3.040 -5.720 3.390 1.00 42.13 H new ATOM 0 HD13 LEU A 22 2.869 -4.060 2.773 1.00 42.13 H new ATOM 0 HD21 LEU A 22 1.914 -4.889 -0.040 1.00 55.33 H new ATOM 0 HD22 LEU A 22 3.150 -3.647 0.269 1.00 55.33 H new ATOM 0 HD23 LEU A 22 3.522 -5.027 -0.791 1.00 55.33 H new ATOM 332 N PRO A 23 7.687 -4.000 0.333 1.00 14.35 N ATOM 333 CA PRO A 23 8.940 -3.408 0.803 1.00 65.35 C ATOM 334 C PRO A 23 8.848 -3.076 2.289 1.00 63.42 C ATOM 335 O PRO A 23 7.757 -2.852 2.813 1.00 15.42 O ATOM 336 CB PRO A 23 9.076 -2.134 -0.034 1.00 11.42 C ATOM 337 CG PRO A 23 7.682 -1.791 -0.431 1.00 51.54 C ATOM 338 CD PRO A 23 6.949 -3.097 -0.567 1.00 71.13 C ATOM 0 HA PRO A 23 9.795 -4.075 0.693 1.00 65.35 H new ATOM 0 HB2 PRO A 23 9.533 -1.329 0.542 1.00 11.42 H new ATOM 0 HB3 PRO A 23 9.707 -2.300 -0.907 1.00 11.42 H new ATOM 0 HG2 PRO A 23 7.209 -1.156 0.318 1.00 51.54 H new ATOM 0 HG3 PRO A 23 7.670 -1.239 -1.371 1.00 51.54 H new ATOM 0 HD2 PRO A 23 5.904 -3.003 -0.273 1.00 71.13 H new ATOM 0 HD3 PRO A 23 6.960 -3.458 -1.595 1.00 71.13 H new ATOM 346 N ALA A 24 9.981 -3.049 2.968 1.00 71.00 N ATOM 347 CA ALA A 24 9.995 -2.810 4.406 1.00 60.41 C ATOM 348 C ALA A 24 9.966 -1.319 4.724 1.00 12.42 C ATOM 349 O ALA A 24 9.999 -0.922 5.886 1.00 34.03 O ATOM 350 CB ALA A 24 11.216 -3.462 5.033 1.00 40.13 C ATOM 0 H ALA A 24 10.902 -3.189 2.552 1.00 71.00 H new ATOM 0 HA ALA A 24 9.096 -3.257 4.830 1.00 60.41 H new ATOM 0 HB1 ALA A 24 11.216 -3.277 6.107 1.00 40.13 H new ATOM 0 HB2 ALA A 24 11.189 -4.536 4.850 1.00 40.13 H new ATOM 0 HB3 ALA A 24 12.120 -3.041 4.592 1.00 40.13 H new ATOM 356 N ASN A 25 9.897 -0.496 3.687 1.00 54.43 N ATOM 357 CA ASN A 25 9.897 0.959 3.846 1.00 61.32 C ATOM 358 C ASN A 25 8.505 1.541 3.632 1.00 43.11 C ATOM 359 O ASN A 25 8.368 2.642 3.110 1.00 62.13 O ATOM 360 CB ASN A 25 10.869 1.601 2.853 1.00 3.42 C ATOM 361 CG ASN A 25 12.309 1.623 3.340 1.00 40.13 C ATOM 362 OD1 ASN A 25 13.096 2.480 2.935 1.00 3.00 O ATOM 363 ND2 ASN A 25 12.666 0.696 4.214 1.00 2.25 N ATOM 0 H ASN A 25 9.840 -0.810 2.718 1.00 54.43 H new ATOM 0 HA ASN A 25 10.213 1.178 4.866 1.00 61.32 H new ATOM 0 HB2 ASN A 25 10.822 1.059 1.909 1.00 3.42 H new ATOM 0 HB3 ASN A 25 10.547 2.622 2.651 1.00 3.42 H new ATOM 0 HD21 ASN A 25 13.620 0.675 4.575 1.00 2.25 H new ATOM 0 HD22 ASN A 25 11.987 0.002 4.527 1.00 2.25 H new ATOM 370 N LEU A 26 7.481 0.815 4.069 1.00 0.12 N ATOM 371 CA LEU A 26 6.091 1.230 3.865 1.00 34.10 C ATOM 372 C LEU A 26 5.812 2.609 4.466 1.00 41.12 C ATOM 373 O LEU A 26 5.119 3.428 3.866 1.00 52.32 O ATOM 374 CB LEU A 26 5.134 0.200 4.469 1.00 72.41 C ATOM 375 CG LEU A 26 5.152 -1.178 3.803 1.00 60.55 C ATOM 376 CD1 LEU A 26 4.211 -2.130 4.525 1.00 53.44 C ATOM 377 CD2 LEU A 26 4.772 -1.067 2.332 1.00 31.33 C ATOM 0 H LEU A 26 7.585 -0.068 4.569 1.00 0.12 H new ATOM 0 HA LEU A 26 5.927 1.294 2.789 1.00 34.10 H new ATOM 0 HB2 LEU A 26 5.376 0.078 5.525 1.00 72.41 H new ATOM 0 HB3 LEU A 26 4.120 0.597 4.418 1.00 72.41 H new ATOM 0 HG LEU A 26 6.164 -1.577 3.867 1.00 60.55 H new ATOM 0 HD11 LEU A 26 4.236 -3.105 4.038 1.00 53.44 H new ATOM 0 HD12 LEU A 26 4.525 -2.234 5.563 1.00 53.44 H new ATOM 0 HD13 LEU A 26 3.196 -1.734 4.491 1.00 53.44 H new ATOM 0 HD21 LEU A 26 4.790 -2.057 1.876 1.00 31.33 H new ATOM 0 HD22 LEU A 26 3.770 -0.646 2.246 1.00 31.33 H new ATOM 0 HD23 LEU A 26 5.483 -0.418 1.820 1.00 31.33 H new ATOM 389 N ASP A 27 6.361 2.865 5.646 1.00 34.53 N ATOM 390 CA ASP A 27 6.137 4.137 6.327 1.00 54.52 C ATOM 391 C ASP A 27 7.078 5.204 5.783 1.00 52.24 C ATOM 392 O ASP A 27 6.857 6.402 5.966 1.00 13.43 O ATOM 393 CB ASP A 27 6.334 3.981 7.835 1.00 30.02 C ATOM 394 CG ASP A 27 5.885 5.205 8.609 1.00 13.31 C ATOM 395 OD1 ASP A 27 4.658 5.411 8.740 1.00 5.03 O ATOM 396 OD2 ASP A 27 6.748 5.952 9.115 1.00 72.11 O ATOM 0 H ASP A 27 6.962 2.214 6.151 1.00 34.53 H new ATOM 0 HA ASP A 27 5.109 4.448 6.141 1.00 54.52 H new ATOM 0 HB2 ASP A 27 5.777 3.111 8.183 1.00 30.02 H new ATOM 0 HB3 ASP A 27 7.387 3.790 8.043 1.00 30.02 H new ATOM 401 N ASP A 28 8.121 4.757 5.101 1.00 63.35 N ATOM 402 CA ASP A 28 9.084 5.660 4.483 1.00 42.41 C ATOM 403 C ASP A 28 8.581 6.102 3.114 1.00 62.32 C ATOM 404 O ASP A 28 9.149 6.993 2.479 1.00 72.22 O ATOM 405 CB ASP A 28 10.445 4.975 4.334 1.00 50.34 C ATOM 406 CG ASP A 28 11.101 4.654 5.661 1.00 53.22 C ATOM 407 OD1 ASP A 28 10.849 3.562 6.210 1.00 13.15 O ATOM 408 OD2 ASP A 28 11.877 5.494 6.163 1.00 12.23 O ATOM 0 H ASP A 28 8.324 3.767 4.960 1.00 63.35 H new ATOM 0 HA ASP A 28 9.198 6.533 5.125 1.00 42.41 H new ATOM 0 HB2 ASP A 28 10.320 4.053 3.766 1.00 50.34 H new ATOM 0 HB3 ASP A 28 11.107 5.619 3.755 1.00 50.34 H new ATOM 413 N MET A 29 7.512 5.468 2.660 1.00 50.51 N ATOM 414 CA MET A 29 6.932 5.779 1.365 1.00 50.24 C ATOM 415 C MET A 29 5.797 6.782 1.514 1.00 11.24 C ATOM 416 O MET A 29 5.094 6.798 2.525 1.00 30.34 O ATOM 417 CB MET A 29 6.430 4.504 0.687 1.00 24.10 C ATOM 418 CG MET A 29 7.544 3.540 0.312 1.00 42.05 C ATOM 419 SD MET A 29 6.931 1.987 -0.374 1.00 44.31 S ATOM 420 CE MET A 29 6.058 2.569 -1.824 1.00 42.41 C ATOM 0 H MET A 29 7.027 4.732 3.172 1.00 50.51 H new ATOM 0 HA MET A 29 7.705 6.225 0.739 1.00 50.24 H new ATOM 0 HB2 MET A 29 5.731 3.998 1.353 1.00 24.10 H new ATOM 0 HB3 MET A 29 5.875 4.774 -0.212 1.00 24.10 H new ATOM 0 HG2 MET A 29 8.201 4.018 -0.415 1.00 42.05 H new ATOM 0 HG3 MET A 29 8.146 3.328 1.195 1.00 42.05 H new ATOM 0 HE1 MET A 29 5.684 1.716 -2.391 1.00 42.41 H new ATOM 0 HE2 MET A 29 5.221 3.196 -1.517 1.00 42.41 H new ATOM 0 HE3 MET A 29 6.737 3.150 -2.448 1.00 42.41 H new ATOM 430 N LYS A 30 5.640 7.632 0.509 1.00 50.25 N ATOM 431 CA LYS A 30 4.598 8.648 0.513 1.00 4.53 C ATOM 432 C LYS A 30 3.272 8.068 0.050 1.00 44.23 C ATOM 433 O LYS A 30 3.206 6.922 -0.392 1.00 24.32 O ATOM 434 CB LYS A 30 4.994 9.803 -0.402 1.00 61.23 C ATOM 435 CG LYS A 30 6.287 10.470 0.009 1.00 24.54 C ATOM 436 CD LYS A 30 6.728 11.494 -1.014 1.00 5.10 C ATOM 437 CE LYS A 30 8.048 12.116 -0.617 1.00 3.31 C ATOM 438 NZ LYS A 30 9.126 11.099 -0.497 1.00 53.12 N ATOM 0 H LYS A 30 6.226 7.637 -0.326 1.00 50.25 H new ATOM 0 HA LYS A 30 4.482 9.011 1.534 1.00 4.53 H new ATOM 0 HB2 LYS A 30 5.092 9.433 -1.423 1.00 61.23 H new ATOM 0 HB3 LYS A 30 4.195 10.545 -0.407 1.00 61.23 H new ATOM 0 HG2 LYS A 30 6.157 10.953 0.977 1.00 24.54 H new ATOM 0 HG3 LYS A 30 7.065 9.716 0.130 1.00 24.54 H new ATOM 0 HD2 LYS A 30 6.823 11.021 -1.991 1.00 5.10 H new ATOM 0 HD3 LYS A 30 5.969 12.270 -1.109 1.00 5.10 H new ATOM 0 HE2 LYS A 30 8.334 12.863 -1.357 1.00 3.31 H new ATOM 0 HE3 LYS A 30 7.933 12.637 0.334 1.00 3.31 H new ATOM 0 HZ1 LYS A 30 10.053 11.570 -0.528 1.00 53.12 H new ATOM 0 HZ2 LYS A 30 9.025 10.591 0.405 1.00 53.12 H new ATOM 0 HZ3 LYS A 30 9.055 10.423 -1.284 1.00 53.12 H new ATOM 452 N VAL A 31 2.232 8.880 0.123 1.00 41.11 N ATOM 453 CA VAL A 31 0.901 8.464 -0.295 1.00 65.44 C ATOM 454 C VAL A 31 0.907 8.107 -1.781 1.00 12.52 C ATOM 455 O VAL A 31 0.397 7.063 -2.187 1.00 65.22 O ATOM 456 CB VAL A 31 -0.139 9.576 -0.041 1.00 32.43 C ATOM 457 CG1 VAL A 31 -1.549 9.088 -0.350 1.00 0.12 C ATOM 458 CG2 VAL A 31 -0.047 10.083 1.392 1.00 11.33 C ATOM 0 H VAL A 31 2.283 9.838 0.470 1.00 41.11 H new ATOM 0 HA VAL A 31 0.624 7.590 0.294 1.00 65.44 H new ATOM 0 HB VAL A 31 0.085 10.405 -0.713 1.00 32.43 H new ATOM 0 HG11 VAL A 31 -2.261 9.891 -0.162 1.00 0.12 H new ATOM 0 HG12 VAL A 31 -1.609 8.787 -1.396 1.00 0.12 H new ATOM 0 HG13 VAL A 31 -1.787 8.236 0.287 1.00 0.12 H new ATOM 0 HG21 VAL A 31 -0.789 10.866 1.549 1.00 11.33 H new ATOM 0 HG22 VAL A 31 -0.236 9.260 2.082 1.00 11.33 H new ATOM 0 HG23 VAL A 31 0.950 10.486 1.572 1.00 11.33 H new ATOM 468 N ALA A 32 1.521 8.973 -2.580 1.00 24.41 N ATOM 469 CA ALA A 32 1.644 8.748 -4.013 1.00 31.15 C ATOM 470 C ALA A 32 2.449 7.484 -4.300 1.00 72.23 C ATOM 471 O ALA A 32 2.101 6.707 -5.192 1.00 70.30 O ATOM 472 CB ALA A 32 2.291 9.951 -4.682 1.00 45.23 C ATOM 0 H ALA A 32 1.943 9.843 -2.255 1.00 24.41 H new ATOM 0 HA ALA A 32 0.643 8.613 -4.424 1.00 31.15 H new ATOM 0 HB1 ALA A 32 2.377 9.769 -5.753 1.00 45.23 H new ATOM 0 HB2 ALA A 32 1.677 10.836 -4.512 1.00 45.23 H new ATOM 0 HB3 ALA A 32 3.283 10.112 -4.261 1.00 45.23 H new ATOM 478 N GLU A 33 3.515 7.278 -3.532 1.00 5.05 N ATOM 479 CA GLU A 33 4.357 6.096 -3.694 1.00 63.43 C ATOM 480 C GLU A 33 3.575 4.822 -3.390 1.00 55.03 C ATOM 481 O GLU A 33 3.675 3.834 -4.121 1.00 4.42 O ATOM 482 CB GLU A 33 5.583 6.179 -2.781 1.00 41.21 C ATOM 483 CG GLU A 33 6.499 7.348 -3.093 1.00 72.34 C ATOM 484 CD GLU A 33 7.008 7.319 -4.519 1.00 74.34 C ATOM 485 OE1 GLU A 33 7.878 6.477 -4.830 1.00 32.02 O ATOM 486 OE2 GLU A 33 6.551 8.147 -5.330 1.00 2.34 O ATOM 0 H GLU A 33 3.816 7.913 -2.793 1.00 5.05 H new ATOM 0 HA GLU A 33 4.687 6.063 -4.732 1.00 63.43 H new ATOM 0 HB2 GLU A 33 5.250 6.256 -1.746 1.00 41.21 H new ATOM 0 HB3 GLU A 33 6.150 5.252 -2.865 1.00 41.21 H new ATOM 0 HG2 GLU A 33 5.964 8.282 -2.920 1.00 72.34 H new ATOM 0 HG3 GLU A 33 7.346 7.335 -2.407 1.00 72.34 H new ATOM 493 N LEU A 34 2.794 4.851 -2.316 1.00 73.02 N ATOM 494 CA LEU A 34 2.012 3.690 -1.904 1.00 14.11 C ATOM 495 C LEU A 34 0.939 3.353 -2.935 1.00 24.31 C ATOM 496 O LEU A 34 0.690 2.182 -3.219 1.00 63.21 O ATOM 497 CB LEU A 34 1.369 3.939 -0.540 1.00 72.32 C ATOM 498 CG LEU A 34 2.350 4.116 0.620 1.00 3.41 C ATOM 499 CD1 LEU A 34 1.606 4.519 1.882 1.00 73.43 C ATOM 500 CD2 LEU A 34 3.130 2.833 0.859 1.00 22.23 C ATOM 0 H LEU A 34 2.685 5.667 -1.714 1.00 73.02 H new ATOM 0 HA LEU A 34 2.690 2.840 -1.828 1.00 14.11 H new ATOM 0 HB2 LEU A 34 0.746 4.831 -0.607 1.00 72.32 H new ATOM 0 HB3 LEU A 34 0.707 3.104 -0.311 1.00 72.32 H new ATOM 0 HG LEU A 34 3.054 4.906 0.359 1.00 3.41 H new ATOM 0 HD11 LEU A 34 2.316 4.642 2.700 1.00 73.43 H new ATOM 0 HD12 LEU A 34 1.083 5.460 1.711 1.00 73.43 H new ATOM 0 HD13 LEU A 34 0.884 3.745 2.142 1.00 73.43 H new ATOM 0 HD21 LEU A 34 3.823 2.978 1.688 1.00 22.23 H new ATOM 0 HD22 LEU A 34 2.438 2.026 1.101 1.00 22.23 H new ATOM 0 HD23 LEU A 34 3.689 2.574 -0.040 1.00 22.23 H new ATOM 512 N LYS A 35 0.319 4.386 -3.504 1.00 31.14 N ATOM 513 CA LYS A 35 -0.727 4.201 -4.509 1.00 32.23 C ATOM 514 C LYS A 35 -0.200 3.454 -5.731 1.00 54.12 C ATOM 515 O LYS A 35 -0.931 2.685 -6.359 1.00 74.13 O ATOM 516 CB LYS A 35 -1.316 5.551 -4.925 1.00 40.12 C ATOM 517 CG LYS A 35 -2.176 6.186 -3.846 1.00 22.35 C ATOM 518 CD LYS A 35 -2.672 7.557 -4.259 1.00 71.23 C ATOM 519 CE LYS A 35 -3.601 8.143 -3.211 1.00 11.01 C ATOM 520 NZ LYS A 35 -4.036 9.517 -3.563 1.00 71.21 N ATOM 0 H LYS A 35 0.523 5.361 -3.286 1.00 31.14 H new ATOM 0 HA LYS A 35 -1.515 3.596 -4.060 1.00 32.23 H new ATOM 0 HB2 LYS A 35 -0.504 6.231 -5.181 1.00 40.12 H new ATOM 0 HB3 LYS A 35 -1.915 5.417 -5.826 1.00 40.12 H new ATOM 0 HG2 LYS A 35 -3.028 5.540 -3.632 1.00 22.35 H new ATOM 0 HG3 LYS A 35 -1.600 6.270 -2.924 1.00 22.35 H new ATOM 0 HD2 LYS A 35 -1.823 8.224 -4.410 1.00 71.23 H new ATOM 0 HD3 LYS A 35 -3.195 7.486 -5.213 1.00 71.23 H new ATOM 0 HE2 LYS A 35 -4.476 7.502 -3.102 1.00 11.01 H new ATOM 0 HE3 LYS A 35 -3.095 8.159 -2.246 1.00 11.01 H new ATOM 0 HZ1 LYS A 35 -4.669 9.881 -2.822 1.00 71.21 H new ATOM 0 HZ2 LYS A 35 -3.203 10.135 -3.642 1.00 71.21 H new ATOM 0 HZ3 LYS A 35 -4.541 9.499 -4.472 1.00 71.21 H new ATOM 534 N GLN A 36 1.069 3.669 -6.057 1.00 55.34 N ATOM 535 CA GLN A 36 1.706 2.952 -7.155 1.00 13.30 C ATOM 536 C GLN A 36 1.751 1.464 -6.844 1.00 72.11 C ATOM 537 O GLN A 36 1.341 0.636 -7.655 1.00 22.34 O ATOM 538 CB GLN A 36 3.125 3.477 -7.401 1.00 34.43 C ATOM 539 CG GLN A 36 3.176 4.938 -7.820 1.00 53.13 C ATOM 540 CD GLN A 36 2.540 5.193 -9.174 1.00 34.20 C ATOM 541 OE1 GLN A 36 1.975 6.260 -9.409 1.00 75.34 O ATOM 542 NE2 GLN A 36 2.644 4.230 -10.081 1.00 4.24 N ATOM 0 H GLN A 36 1.677 4.333 -5.577 1.00 55.34 H new ATOM 0 HA GLN A 36 1.118 3.115 -8.058 1.00 13.30 H new ATOM 0 HB2 GLN A 36 3.712 3.349 -6.492 1.00 34.43 H new ATOM 0 HB3 GLN A 36 3.598 2.871 -8.174 1.00 34.43 H new ATOM 0 HG2 GLN A 36 2.670 5.543 -7.068 1.00 53.13 H new ATOM 0 HG3 GLN A 36 4.215 5.266 -7.846 1.00 53.13 H new ATOM 0 HE21 GLN A 36 3.120 3.359 -9.848 1.00 4.24 H new ATOM 0 HE22 GLN A 36 2.248 4.361 -11.012 1.00 4.24 H new ATOM 551 N GLU A 37 2.222 1.142 -5.645 1.00 11.41 N ATOM 552 CA GLU A 37 2.338 -0.240 -5.204 1.00 15.23 C ATOM 553 C GLU A 37 0.971 -0.908 -5.104 1.00 3.45 C ATOM 554 O GLU A 37 0.838 -2.108 -5.354 1.00 65.10 O ATOM 555 CB GLU A 37 3.044 -0.298 -3.850 1.00 5.10 C ATOM 556 CG GLU A 37 4.512 0.081 -3.913 1.00 42.13 C ATOM 557 CD GLU A 37 5.290 -0.797 -4.868 1.00 25.02 C ATOM 558 OE1 GLU A 37 5.505 -1.984 -4.552 1.00 23.22 O ATOM 559 OE2 GLU A 37 5.679 -0.312 -5.947 1.00 32.14 O ATOM 0 H GLU A 37 2.532 1.827 -4.956 1.00 11.41 H new ATOM 0 HA GLU A 37 2.926 -0.781 -5.945 1.00 15.23 H new ATOM 0 HB2 GLU A 37 2.535 0.370 -3.155 1.00 5.10 H new ATOM 0 HB3 GLU A 37 2.955 -1.306 -3.446 1.00 5.10 H new ATOM 0 HG2 GLU A 37 4.603 1.122 -4.223 1.00 42.13 H new ATOM 0 HG3 GLU A 37 4.948 0.006 -2.917 1.00 42.13 H new ATOM 566 N LEU A 38 -0.030 -0.128 -4.726 1.00 63.31 N ATOM 567 CA LEU A 38 -1.390 -0.628 -4.603 1.00 1.13 C ATOM 568 C LEU A 38 -1.936 -1.091 -5.949 1.00 71.41 C ATOM 569 O LEU A 38 -2.258 -2.266 -6.124 1.00 72.53 O ATOM 570 CB LEU A 38 -2.304 0.453 -4.025 1.00 12.45 C ATOM 571 CG LEU A 38 -2.132 0.731 -2.531 1.00 65.22 C ATOM 572 CD1 LEU A 38 -2.831 2.023 -2.153 1.00 22.32 C ATOM 573 CD2 LEU A 38 -2.683 -0.423 -1.705 1.00 71.21 C ATOM 0 H LEU A 38 0.076 0.861 -4.498 1.00 63.31 H new ATOM 0 HA LEU A 38 -1.366 -1.484 -3.928 1.00 1.13 H new ATOM 0 HB2 LEU A 38 -2.132 1.380 -4.571 1.00 12.45 H new ATOM 0 HB3 LEU A 38 -3.339 0.164 -4.206 1.00 12.45 H new ATOM 0 HG LEU A 38 -1.067 0.831 -2.320 1.00 65.22 H new ATOM 0 HD11 LEU A 38 -2.701 2.209 -1.087 1.00 22.32 H new ATOM 0 HD12 LEU A 38 -2.401 2.849 -2.720 1.00 22.32 H new ATOM 0 HD13 LEU A 38 -3.894 1.941 -2.380 1.00 22.32 H new ATOM 0 HD21 LEU A 38 -2.552 -0.207 -0.645 1.00 71.21 H new ATOM 0 HD22 LEU A 38 -3.744 -0.551 -1.921 1.00 71.21 H new ATOM 0 HD23 LEU A 38 -2.149 -1.339 -1.957 1.00 71.21 H new ATOM 585 N LYS A 39 -2.021 -0.175 -6.903 1.00 23.43 N ATOM 586 CA LYS A 39 -2.676 -0.467 -8.170 1.00 52.02 C ATOM 587 C LYS A 39 -1.910 -1.506 -8.988 1.00 1.33 C ATOM 588 O LYS A 39 -2.506 -2.234 -9.779 1.00 45.24 O ATOM 589 CB LYS A 39 -2.894 0.814 -8.979 1.00 60.51 C ATOM 590 CG LYS A 39 -1.623 1.561 -9.352 1.00 31.21 C ATOM 591 CD LYS A 39 -1.956 2.896 -10.003 1.00 0.10 C ATOM 592 CE LYS A 39 -2.790 2.708 -11.261 1.00 11.21 C ATOM 593 NZ LYS A 39 -3.473 3.963 -11.666 1.00 22.33 N ATOM 0 H LYS A 39 -1.647 0.771 -6.825 1.00 23.43 H new ATOM 0 HA LYS A 39 -3.650 -0.898 -7.937 1.00 52.02 H new ATOM 0 HB2 LYS A 39 -3.431 0.562 -9.893 1.00 60.51 H new ATOM 0 HB3 LYS A 39 -3.536 1.483 -8.406 1.00 60.51 H new ATOM 0 HG2 LYS A 39 -1.017 1.726 -8.461 1.00 31.21 H new ATOM 0 HG3 LYS A 39 -1.027 0.956 -10.035 1.00 31.21 H new ATOM 0 HD2 LYS A 39 -2.499 3.522 -9.295 1.00 0.10 H new ATOM 0 HD3 LYS A 39 -1.034 3.421 -10.251 1.00 0.10 H new ATOM 0 HE2 LYS A 39 -2.149 2.365 -12.073 1.00 11.21 H new ATOM 0 HE3 LYS A 39 -3.533 1.929 -11.091 1.00 11.21 H new ATOM 0 HZ1 LYS A 39 -4.031 3.792 -12.527 1.00 22.33 H new ATOM 0 HZ2 LYS A 39 -4.104 4.277 -10.901 1.00 22.33 H new ATOM 0 HZ3 LYS A 39 -2.763 4.700 -11.854 1.00 22.33 H new ATOM 607 N LEU A 40 -0.599 -1.597 -8.779 1.00 63.52 N ATOM 608 CA LEU A 40 0.204 -2.608 -9.462 1.00 55.42 C ATOM 609 C LEU A 40 -0.138 -4.005 -8.951 1.00 62.45 C ATOM 610 O LEU A 40 0.080 -5.002 -9.638 1.00 53.12 O ATOM 611 CB LEU A 40 1.701 -2.336 -9.287 1.00 54.21 C ATOM 612 CG LEU A 40 2.226 -1.093 -10.007 1.00 41.35 C ATOM 613 CD1 LEU A 40 3.719 -0.935 -9.775 1.00 4.35 C ATOM 614 CD2 LEU A 40 1.918 -1.166 -11.497 1.00 2.13 C ATOM 0 H LEU A 40 -0.074 -0.990 -8.149 1.00 63.52 H new ATOM 0 HA LEU A 40 -0.032 -2.555 -10.525 1.00 55.42 H new ATOM 0 HB2 LEU A 40 1.914 -2.237 -8.223 1.00 54.21 H new ATOM 0 HB3 LEU A 40 2.256 -3.204 -9.643 1.00 54.21 H new ATOM 0 HG LEU A 40 1.721 -0.219 -9.597 1.00 41.35 H new ATOM 0 HD11 LEU A 40 4.076 -0.046 -10.294 1.00 4.35 H new ATOM 0 HD12 LEU A 40 3.913 -0.834 -8.707 1.00 4.35 H new ATOM 0 HD13 LEU A 40 4.241 -1.812 -10.157 1.00 4.35 H new ATOM 0 HD21 LEU A 40 2.299 -0.273 -11.992 1.00 2.13 H new ATOM 0 HD22 LEU A 40 2.394 -2.049 -11.924 1.00 2.13 H new ATOM 0 HD23 LEU A 40 0.840 -1.229 -11.643 1.00 2.13 H new ATOM 626 N ARG A 41 -0.683 -4.068 -7.743 1.00 3.30 N ATOM 627 CA ARG A 41 -1.101 -5.330 -7.150 1.00 55.12 C ATOM 628 C ARG A 41 -2.623 -5.443 -7.168 1.00 12.10 C ATOM 629 O ARG A 41 -3.194 -6.317 -6.514 1.00 74.14 O ATOM 630 CB ARG A 41 -0.586 -5.440 -5.713 1.00 73.42 C ATOM 631 CG ARG A 41 0.923 -5.570 -5.607 1.00 34.11 C ATOM 632 CD ARG A 41 1.376 -5.517 -4.159 1.00 43.23 C ATOM 633 NE ARG A 41 2.825 -5.671 -4.022 1.00 2.34 N ATOM 634 CZ ARG A 41 3.697 -4.672 -4.177 1.00 34.03 C ATOM 635 NH1 ARG A 41 3.282 -3.475 -4.558 1.00 22.13 N ATOM 636 NH2 ARG A 41 4.991 -4.870 -3.967 1.00 31.32 N ATOM 0 H ARG A 41 -0.846 -3.253 -7.152 1.00 3.30 H new ATOM 0 HA ARG A 41 -0.679 -6.145 -7.738 1.00 55.12 H new ATOM 0 HB2 ARG A 41 -0.905 -4.560 -5.155 1.00 73.42 H new ATOM 0 HB3 ARG A 41 -1.049 -6.304 -5.237 1.00 73.42 H new ATOM 0 HG2 ARG A 41 1.243 -6.510 -6.057 1.00 34.11 H new ATOM 0 HG3 ARG A 41 1.401 -4.768 -6.170 1.00 34.11 H new ATOM 0 HD2 ARG A 41 1.071 -4.567 -3.720 1.00 43.23 H new ATOM 0 HD3 ARG A 41 0.875 -6.304 -3.595 1.00 43.23 H new ATOM 0 HE ARG A 41 3.190 -6.596 -3.795 1.00 2.34 H new ATOM 0 HH11 ARG A 41 2.291 -3.311 -4.735 1.00 22.13 H new ATOM 0 HH12 ARG A 41 3.953 -2.716 -4.675 1.00 22.13 H new ATOM 0 HH21 ARG A 41 5.327 -5.791 -3.685 1.00 31.32 H new ATOM 0 HH22 ARG A 41 5.651 -4.101 -4.088 1.00 31.32 H new ATOM 650 N SER A 42 -3.262 -4.558 -7.934 1.00 52.32 N ATOM 651 CA SER A 42 -4.722 -4.496 -8.024 1.00 63.23 C ATOM 652 C SER A 42 -5.337 -4.175 -6.664 1.00 70.25 C ATOM 653 O SER A 42 -5.999 -5.011 -6.047 1.00 73.44 O ATOM 654 CB SER A 42 -5.289 -5.807 -8.578 1.00 51.31 C ATOM 655 OG SER A 42 -4.656 -6.150 -9.798 1.00 15.12 O ATOM 0 H SER A 42 -2.783 -3.865 -8.509 1.00 52.32 H new ATOM 0 HA SER A 42 -4.984 -3.693 -8.713 1.00 63.23 H new ATOM 0 HB2 SER A 42 -5.146 -6.607 -7.851 1.00 51.31 H new ATOM 0 HB3 SER A 42 -6.363 -5.707 -8.735 1.00 51.31 H new ATOM 0 HG SER A 42 -5.030 -6.991 -10.136 1.00 15.12 H new ATOM 661 N LEU A 43 -5.100 -2.958 -6.197 1.00 51.33 N ATOM 662 CA LEU A 43 -5.609 -2.506 -4.909 1.00 31.03 C ATOM 663 C LEU A 43 -6.161 -1.090 -5.024 1.00 12.10 C ATOM 664 O LEU A 43 -5.655 -0.294 -5.813 1.00 33.31 O ATOM 665 CB LEU A 43 -4.491 -2.540 -3.863 1.00 40.11 C ATOM 666 CG LEU A 43 -4.078 -3.935 -3.390 1.00 1.02 C ATOM 667 CD1 LEU A 43 -2.689 -3.904 -2.772 1.00 23.32 C ATOM 668 CD2 LEU A 43 -5.083 -4.462 -2.382 1.00 41.12 C ATOM 0 H LEU A 43 -4.552 -2.258 -6.697 1.00 51.33 H new ATOM 0 HA LEU A 43 -6.412 -3.174 -4.599 1.00 31.03 H new ATOM 0 HB2 LEU A 43 -3.615 -2.041 -4.276 1.00 40.11 H new ATOM 0 HB3 LEU A 43 -4.809 -1.960 -2.997 1.00 40.11 H new ATOM 0 HG LEU A 43 -4.057 -4.599 -4.254 1.00 1.02 H new ATOM 0 HD11 LEU A 43 -2.415 -4.906 -2.442 1.00 23.32 H new ATOM 0 HD12 LEU A 43 -1.969 -3.556 -3.513 1.00 23.32 H new ATOM 0 HD13 LEU A 43 -2.686 -3.227 -1.917 1.00 23.32 H new ATOM 0 HD21 LEU A 43 -4.780 -5.456 -2.051 1.00 41.12 H new ATOM 0 HD22 LEU A 43 -5.124 -3.791 -1.524 1.00 41.12 H new ATOM 0 HD23 LEU A 43 -6.068 -4.519 -2.846 1.00 41.12 H new ATOM 680 N PRO A 44 -7.226 -0.773 -4.270 1.00 60.01 N ATOM 681 CA PRO A 44 -7.788 0.582 -4.225 1.00 40.40 C ATOM 682 C PRO A 44 -6.764 1.595 -3.719 1.00 24.41 C ATOM 683 O PRO A 44 -5.985 1.297 -2.809 1.00 44.35 O ATOM 684 CB PRO A 44 -8.957 0.465 -3.238 1.00 4.50 C ATOM 685 CG PRO A 44 -9.276 -0.992 -3.185 1.00 54.42 C ATOM 686 CD PRO A 44 -7.979 -1.709 -3.419 1.00 30.41 C ATOM 0 HA PRO A 44 -8.093 0.933 -5.211 1.00 40.40 H new ATOM 0 HB2 PRO A 44 -8.682 0.844 -2.254 1.00 4.50 H new ATOM 0 HB3 PRO A 44 -9.817 1.045 -3.574 1.00 4.50 H new ATOM 0 HG2 PRO A 44 -9.703 -1.263 -2.219 1.00 54.42 H new ATOM 0 HG3 PRO A 44 -10.011 -1.258 -3.944 1.00 54.42 H new ATOM 0 HD2 PRO A 44 -7.457 -1.912 -2.484 1.00 30.41 H new ATOM 0 HD3 PRO A 44 -8.133 -2.668 -3.913 1.00 30.41 H new ATOM 694 N VAL A 45 -6.776 2.788 -4.296 1.00 42.13 N ATOM 695 CA VAL A 45 -5.779 3.803 -3.973 1.00 64.42 C ATOM 696 C VAL A 45 -6.377 4.934 -3.138 1.00 21.44 C ATOM 697 O VAL A 45 -5.688 5.894 -2.786 1.00 34.54 O ATOM 698 CB VAL A 45 -5.137 4.390 -5.252 1.00 52.41 C ATOM 699 CG1 VAL A 45 -4.405 3.307 -6.030 1.00 33.05 C ATOM 700 CG2 VAL A 45 -6.185 5.064 -6.128 1.00 14.12 C ATOM 0 H VAL A 45 -7.464 3.079 -4.990 1.00 42.13 H new ATOM 0 HA VAL A 45 -5.007 3.306 -3.386 1.00 64.42 H new ATOM 0 HB VAL A 45 -4.412 5.146 -4.949 1.00 52.41 H new ATOM 0 HG11 VAL A 45 -3.960 3.740 -6.926 1.00 33.05 H new ATOM 0 HG12 VAL A 45 -3.620 2.878 -5.406 1.00 33.05 H new ATOM 0 HG13 VAL A 45 -5.109 2.525 -6.316 1.00 33.05 H new ATOM 0 HG21 VAL A 45 -5.708 5.468 -7.021 1.00 14.12 H new ATOM 0 HG22 VAL A 45 -6.940 4.334 -6.419 1.00 14.12 H new ATOM 0 HG23 VAL A 45 -6.658 5.873 -5.572 1.00 14.12 H new ATOM 710 N SER A 46 -7.657 4.815 -2.822 1.00 24.14 N ATOM 711 CA SER A 46 -8.339 5.816 -2.009 1.00 43.31 C ATOM 712 C SER A 46 -7.902 5.717 -0.544 1.00 51.42 C ATOM 713 O SER A 46 -7.393 4.685 -0.111 1.00 0.40 O ATOM 714 CB SER A 46 -9.848 5.625 -2.120 1.00 65.32 C ATOM 715 OG SER A 46 -10.241 5.466 -3.475 1.00 73.23 O ATOM 0 H SER A 46 -8.247 4.036 -3.115 1.00 24.14 H new ATOM 0 HA SER A 46 -8.071 6.806 -2.378 1.00 43.31 H new ATOM 0 HB2 SER A 46 -10.151 4.750 -1.544 1.00 65.32 H new ATOM 0 HB3 SER A 46 -10.360 6.484 -1.687 1.00 65.32 H new ATOM 0 HG SER A 46 -11.212 5.343 -3.522 1.00 73.23 H new ATOM 721 N GLY A 47 -8.105 6.789 0.213 1.00 74.21 N ATOM 722 CA GLY A 47 -7.730 6.791 1.612 1.00 2.01 C ATOM 723 C GLY A 47 -6.491 7.621 1.876 1.00 0.42 C ATOM 724 O GLY A 47 -5.985 8.297 0.976 1.00 72.54 O ATOM 0 H GLY A 47 -8.524 7.658 -0.119 1.00 74.21 H new ATOM 0 HA2 GLY A 47 -8.557 7.179 2.207 1.00 2.01 H new ATOM 0 HA3 GLY A 47 -7.554 5.766 1.940 1.00 2.01 H new ATOM 728 N THR A 48 -6.013 7.579 3.111 1.00 34.33 N ATOM 729 CA THR A 48 -4.816 8.304 3.506 1.00 24.11 C ATOM 730 C THR A 48 -3.594 7.388 3.458 1.00 61.54 C ATOM 731 O THR A 48 -3.711 6.218 3.095 1.00 53.12 O ATOM 732 CB THR A 48 -4.978 8.881 4.926 1.00 62.42 C ATOM 733 OG1 THR A 48 -5.583 7.902 5.782 1.00 54.23 O ATOM 734 CG2 THR A 48 -5.828 10.142 4.915 1.00 54.24 C ATOM 0 H THR A 48 -6.443 7.043 3.865 1.00 34.33 H new ATOM 0 HA THR A 48 -4.670 9.125 2.804 1.00 24.11 H new ATOM 0 HB THR A 48 -3.988 9.139 5.301 1.00 62.42 H new ATOM 0 HG1 THR A 48 -5.682 8.273 6.684 1.00 54.23 H new ATOM 0 HG21 THR A 48 -5.924 10.525 5.931 1.00 54.24 H new ATOM 0 HG22 THR A 48 -5.353 10.895 4.286 1.00 54.24 H new ATOM 0 HG23 THR A 48 -6.817 9.911 4.520 1.00 54.24 H new ATOM 742 N LYS A 49 -2.431 7.921 3.834 1.00 14.11 N ATOM 743 CA LYS A 49 -1.182 7.157 3.822 1.00 15.21 C ATOM 744 C LYS A 49 -1.320 5.849 4.596 1.00 71.32 C ATOM 745 O LYS A 49 -1.050 4.773 4.067 1.00 61.04 O ATOM 746 CB LYS A 49 -0.042 7.982 4.426 1.00 20.01 C ATOM 747 CG LYS A 49 1.281 7.230 4.492 1.00 44.35 C ATOM 748 CD LYS A 49 2.326 7.991 5.294 1.00 41.21 C ATOM 749 CE LYS A 49 3.618 7.197 5.412 1.00 50.42 C ATOM 750 NZ LYS A 49 4.618 7.882 6.269 1.00 5.43 N ATOM 0 H LYS A 49 -2.328 8.884 4.152 1.00 14.11 H new ATOM 0 HA LYS A 49 -0.954 6.924 2.782 1.00 15.21 H new ATOM 0 HB2 LYS A 49 0.093 8.888 3.836 1.00 20.01 H new ATOM 0 HB3 LYS A 49 -0.324 8.296 5.431 1.00 20.01 H new ATOM 0 HG2 LYS A 49 1.120 6.251 4.942 1.00 44.35 H new ATOM 0 HG3 LYS A 49 1.652 7.059 3.482 1.00 44.35 H new ATOM 0 HD2 LYS A 49 2.528 8.949 4.815 1.00 41.21 H new ATOM 0 HD3 LYS A 49 1.937 8.207 6.289 1.00 41.21 H new ATOM 0 HE2 LYS A 49 3.401 6.212 5.825 1.00 50.42 H new ATOM 0 HE3 LYS A 49 4.039 7.040 4.419 1.00 50.42 H new ATOM 0 HZ1 LYS A 49 5.574 7.571 6.003 1.00 5.43 H new ATOM 0 HZ2 LYS A 49 4.540 8.911 6.139 1.00 5.43 H new ATOM 0 HZ3 LYS A 49 4.442 7.644 7.266 1.00 5.43 H new ATOM 764 N THR A 50 -1.752 5.950 5.844 1.00 23.12 N ATOM 765 CA THR A 50 -1.839 4.789 6.716 1.00 12.41 C ATOM 766 C THR A 50 -2.837 3.762 6.178 1.00 21.14 C ATOM 767 O THR A 50 -2.610 2.556 6.284 1.00 52.01 O ATOM 768 CB THR A 50 -2.239 5.207 8.138 1.00 13.22 C ATOM 769 OG1 THR A 50 -1.508 6.382 8.517 1.00 62.25 O ATOM 770 CG2 THR A 50 -1.955 4.087 9.128 1.00 73.43 C ATOM 0 H THR A 50 -2.048 6.825 6.276 1.00 23.12 H new ATOM 0 HA THR A 50 -0.852 4.327 6.745 1.00 12.41 H new ATOM 0 HB THR A 50 -3.308 5.419 8.151 1.00 13.22 H new ATOM 0 HG1 THR A 50 -1.765 6.649 9.424 1.00 62.25 H new ATOM 0 HG21 THR A 50 -2.246 4.404 10.129 1.00 73.43 H new ATOM 0 HG22 THR A 50 -2.525 3.201 8.848 1.00 73.43 H new ATOM 0 HG23 THR A 50 -0.891 3.852 9.116 1.00 73.43 H new ATOM 778 N GLU A 51 -3.921 4.249 5.579 1.00 50.10 N ATOM 779 CA GLU A 51 -4.920 3.375 4.976 1.00 23.24 C ATOM 780 C GLU A 51 -4.280 2.514 3.893 1.00 43.20 C ATOM 781 O GLU A 51 -4.549 1.319 3.794 1.00 54.32 O ATOM 782 CB GLU A 51 -6.059 4.197 4.370 1.00 10.11 C ATOM 783 CG GLU A 51 -6.846 5.006 5.388 1.00 2.11 C ATOM 784 CD GLU A 51 -7.598 4.133 6.366 1.00 4.02 C ATOM 785 OE1 GLU A 51 -8.526 3.419 5.936 1.00 2.21 O ATOM 786 OE2 GLU A 51 -7.274 4.159 7.571 1.00 54.01 O ATOM 0 H GLU A 51 -4.129 5.244 5.499 1.00 50.10 H new ATOM 0 HA GLU A 51 -5.326 2.731 5.756 1.00 23.24 H new ATOM 0 HB2 GLU A 51 -5.647 4.875 3.623 1.00 10.11 H new ATOM 0 HB3 GLU A 51 -6.741 3.525 3.849 1.00 10.11 H new ATOM 0 HG2 GLU A 51 -6.164 5.656 5.936 1.00 2.11 H new ATOM 0 HG3 GLU A 51 -7.552 5.652 4.866 1.00 2.11 H new ATOM 793 N LEU A 52 -3.416 3.131 3.098 1.00 13.42 N ATOM 794 CA LEU A 52 -2.740 2.434 2.016 1.00 12.31 C ATOM 795 C LEU A 52 -1.767 1.400 2.577 1.00 0.24 C ATOM 796 O LEU A 52 -1.675 0.281 2.069 1.00 64.43 O ATOM 797 CB LEU A 52 -1.993 3.430 1.128 1.00 32.24 C ATOM 798 CG LEU A 52 -2.799 4.662 0.697 1.00 31.24 C ATOM 799 CD1 LEU A 52 -1.989 5.511 -0.267 1.00 63.23 C ATOM 800 CD2 LEU A 52 -4.125 4.258 0.067 1.00 73.22 C ATOM 0 H LEU A 52 -3.167 4.116 3.184 1.00 13.42 H new ATOM 0 HA LEU A 52 -3.489 1.920 1.414 1.00 12.31 H new ATOM 0 HB2 LEU A 52 -1.103 3.767 1.659 1.00 32.24 H new ATOM 0 HB3 LEU A 52 -1.653 2.909 0.233 1.00 32.24 H new ATOM 0 HG LEU A 52 -3.017 5.253 1.587 1.00 31.24 H new ATOM 0 HD11 LEU A 52 -2.573 6.382 -0.564 1.00 63.23 H new ATOM 0 HD12 LEU A 52 -1.071 5.839 0.220 1.00 63.23 H new ATOM 0 HD13 LEU A 52 -1.740 4.922 -1.150 1.00 63.23 H new ATOM 0 HD21 LEU A 52 -4.675 5.152 -0.229 1.00 73.22 H new ATOM 0 HD22 LEU A 52 -3.937 3.640 -0.811 1.00 73.22 H new ATOM 0 HD23 LEU A 52 -4.714 3.692 0.789 1.00 73.22 H new ATOM 812 N ILE A 53 -1.057 1.779 3.639 1.00 4.24 N ATOM 813 CA ILE A 53 -0.116 0.882 4.300 1.00 72.30 C ATOM 814 C ILE A 53 -0.832 -0.370 4.806 1.00 73.14 C ATOM 815 O ILE A 53 -0.423 -1.494 4.508 1.00 15.12 O ATOM 816 CB ILE A 53 0.595 1.576 5.487 1.00 55.33 C ATOM 817 CG1 ILE A 53 1.364 2.806 5.000 1.00 32.15 C ATOM 818 CG2 ILE A 53 1.536 0.602 6.187 1.00 14.10 C ATOM 819 CD1 ILE A 53 2.020 3.593 6.115 1.00 12.32 C ATOM 0 H ILE A 53 -1.118 2.706 4.060 1.00 4.24 H new ATOM 0 HA ILE A 53 0.634 0.602 3.561 1.00 72.30 H new ATOM 0 HB ILE A 53 -0.160 1.900 6.203 1.00 55.33 H new ATOM 0 HG12 ILE A 53 2.130 2.488 4.292 1.00 32.15 H new ATOM 0 HG13 ILE A 53 0.681 3.460 4.458 1.00 32.15 H new ATOM 0 HG21 ILE A 53 2.028 1.106 7.019 1.00 14.10 H new ATOM 0 HG22 ILE A 53 0.966 -0.248 6.563 1.00 14.10 H new ATOM 0 HG23 ILE A 53 2.288 0.251 5.480 1.00 14.10 H new ATOM 0 HD11 ILE A 53 2.546 4.450 5.695 1.00 12.32 H new ATOM 0 HD12 ILE A 53 1.258 3.942 6.812 1.00 12.32 H new ATOM 0 HD13 ILE A 53 2.729 2.955 6.643 1.00 12.32 H new ATOM 831 N GLU A 54 -1.915 -0.165 5.548 1.00 44.50 N ATOM 832 CA GLU A 54 -2.681 -1.269 6.116 1.00 11.10 C ATOM 833 C GLU A 54 -3.302 -2.125 5.017 1.00 65.24 C ATOM 834 O GLU A 54 -3.369 -3.350 5.130 1.00 55.12 O ATOM 835 CB GLU A 54 -3.764 -0.732 7.056 1.00 72.10 C ATOM 836 CG GLU A 54 -3.201 0.051 8.231 1.00 53.41 C ATOM 837 CD GLU A 54 -4.269 0.521 9.194 1.00 2.35 C ATOM 838 OE1 GLU A 54 -4.901 -0.332 9.852 1.00 51.25 O ATOM 839 OE2 GLU A 54 -4.459 1.746 9.326 1.00 72.32 O ATOM 0 H GLU A 54 -2.284 0.760 5.771 1.00 44.50 H new ATOM 0 HA GLU A 54 -2.001 -1.899 6.689 1.00 11.10 H new ATOM 0 HB2 GLU A 54 -4.441 -0.091 6.491 1.00 72.10 H new ATOM 0 HB3 GLU A 54 -4.355 -1.566 7.433 1.00 72.10 H new ATOM 0 HG2 GLU A 54 -2.485 -0.573 8.767 1.00 53.41 H new ATOM 0 HG3 GLU A 54 -2.652 0.915 7.856 1.00 53.41 H new ATOM 846 N ARG A 55 -3.726 -1.471 3.943 1.00 23.32 N ATOM 847 CA ARG A 55 -4.319 -2.159 2.806 1.00 3.01 C ATOM 848 C ARG A 55 -3.290 -3.060 2.126 1.00 5.14 C ATOM 849 O ARG A 55 -3.594 -4.192 1.745 1.00 33.04 O ATOM 850 CB ARG A 55 -4.879 -1.139 1.814 1.00 21.34 C ATOM 851 CG ARG A 55 -5.651 -1.753 0.664 1.00 70.43 C ATOM 852 CD ARG A 55 -6.370 -0.681 -0.128 1.00 33.23 C ATOM 853 NE ARG A 55 -7.304 0.067 0.710 1.00 42.44 N ATOM 854 CZ ARG A 55 -7.562 1.369 0.576 1.00 44.52 C ATOM 855 NH1 ARG A 55 -6.954 2.078 -0.364 1.00 35.14 N ATOM 856 NH2 ARG A 55 -8.425 1.960 1.393 1.00 42.52 N ATOM 0 H ARG A 55 -3.669 -0.458 3.837 1.00 23.32 H new ATOM 0 HA ARG A 55 -5.135 -2.787 3.163 1.00 3.01 H new ATOM 0 HB2 ARG A 55 -5.532 -0.449 2.349 1.00 21.34 H new ATOM 0 HB3 ARG A 55 -4.055 -0.550 1.411 1.00 21.34 H new ATOM 0 HG2 ARG A 55 -4.969 -2.299 0.012 1.00 70.43 H new ATOM 0 HG3 ARG A 55 -6.372 -2.475 1.047 1.00 70.43 H new ATOM 0 HD2 ARG A 55 -5.641 0.003 -0.562 1.00 33.23 H new ATOM 0 HD3 ARG A 55 -6.910 -1.139 -0.957 1.00 33.23 H new ATOM 0 HE ARG A 55 -7.792 -0.441 1.448 1.00 42.44 H new ATOM 0 HH11 ARG A 55 -6.285 1.629 -0.989 1.00 35.14 H new ATOM 0 HH12 ARG A 55 -7.155 3.073 -0.462 1.00 35.14 H new ATOM 0 HH21 ARG A 55 -8.890 1.419 2.122 1.00 42.52 H new ATOM 0 HH22 ARG A 55 -8.623 2.955 1.292 1.00 42.52 H new ATOM 870 N LEU A 56 -2.068 -2.554 1.989 1.00 33.14 N ATOM 871 CA LEU A 56 -0.970 -3.341 1.438 1.00 25.41 C ATOM 872 C LEU A 56 -0.689 -4.557 2.313 1.00 22.42 C ATOM 873 O LEU A 56 -0.488 -5.663 1.807 1.00 63.44 O ATOM 874 CB LEU A 56 0.295 -2.487 1.312 1.00 52.02 C ATOM 875 CG LEU A 56 0.299 -1.484 0.158 1.00 32.32 C ATOM 876 CD1 LEU A 56 1.498 -0.557 0.267 1.00 54.33 C ATOM 877 CD2 LEU A 56 0.315 -2.211 -1.178 1.00 31.35 C ATOM 0 H LEU A 56 -1.813 -1.602 2.252 1.00 33.14 H new ATOM 0 HA LEU A 56 -1.264 -3.683 0.446 1.00 25.41 H new ATOM 0 HB2 LEU A 56 0.439 -1.942 2.245 1.00 52.02 H new ATOM 0 HB3 LEU A 56 1.151 -3.152 1.196 1.00 52.02 H new ATOM 0 HG LEU A 56 -0.611 -0.886 0.217 1.00 32.32 H new ATOM 0 HD11 LEU A 56 1.487 0.151 -0.562 1.00 54.33 H new ATOM 0 HD12 LEU A 56 1.453 -0.013 1.210 1.00 54.33 H new ATOM 0 HD13 LEU A 56 2.416 -1.144 0.231 1.00 54.33 H new ATOM 0 HD21 LEU A 56 0.318 -1.482 -1.989 1.00 31.35 H new ATOM 0 HD22 LEU A 56 1.209 -2.831 -1.244 1.00 31.35 H new ATOM 0 HD23 LEU A 56 -0.570 -2.842 -1.260 1.00 31.35 H new ATOM 889 N ARG A 57 -0.693 -4.348 3.627 1.00 44.31 N ATOM 890 CA ARG A 57 -0.441 -5.426 4.577 1.00 72.43 C ATOM 891 C ARG A 57 -1.494 -6.520 4.439 1.00 62.33 C ATOM 892 O ARG A 57 -1.179 -7.707 4.475 1.00 62.44 O ATOM 893 CB ARG A 57 -0.436 -4.890 6.011 1.00 53.35 C ATOM 894 CG ARG A 57 0.605 -3.810 6.264 1.00 4.33 C ATOM 895 CD ARG A 57 0.657 -3.426 7.735 1.00 10.23 C ATOM 896 NE ARG A 57 1.111 -4.540 8.564 1.00 1.41 N ATOM 897 CZ ARG A 57 0.659 -4.800 9.794 1.00 71.41 C ATOM 898 NH1 ARG A 57 -0.233 -4.001 10.367 1.00 10.53 N ATOM 899 NH2 ARG A 57 1.115 -5.855 10.454 1.00 72.31 N ATOM 0 H ARG A 57 -0.868 -3.440 4.058 1.00 44.31 H new ATOM 0 HA ARG A 57 0.539 -5.849 4.355 1.00 72.43 H new ATOM 0 HB2 ARG A 57 -1.423 -4.490 6.242 1.00 53.35 H new ATOM 0 HB3 ARG A 57 -0.259 -5.718 6.697 1.00 53.35 H new ATOM 0 HG2 ARG A 57 1.585 -4.164 5.944 1.00 4.33 H new ATOM 0 HG3 ARG A 57 0.372 -2.930 5.664 1.00 4.33 H new ATOM 0 HD2 ARG A 57 1.327 -2.576 7.867 1.00 10.23 H new ATOM 0 HD3 ARG A 57 -0.332 -3.106 8.064 1.00 10.23 H new ATOM 0 HE ARG A 57 1.821 -5.162 8.177 1.00 1.41 H new ATOM 0 HH11 ARG A 57 -0.578 -3.181 9.868 1.00 10.53 H new ATOM 0 HH12 ARG A 57 -0.573 -4.207 11.306 1.00 10.53 H new ATOM 0 HH21 ARG A 57 1.809 -6.466 10.023 1.00 72.31 H new ATOM 0 HH22 ARG A 57 0.772 -6.056 11.393 1.00 72.31 H new ATOM 913 N ALA A 58 -2.745 -6.105 4.261 1.00 60.23 N ATOM 914 CA ALA A 58 -3.850 -7.042 4.103 1.00 42.32 C ATOM 915 C ALA A 58 -3.689 -7.879 2.836 1.00 40.34 C ATOM 916 O ALA A 58 -4.092 -9.043 2.794 1.00 35.13 O ATOM 917 CB ALA A 58 -5.176 -6.296 4.089 1.00 43.14 C ATOM 0 H ALA A 58 -3.018 -5.123 4.223 1.00 60.23 H new ATOM 0 HA ALA A 58 -3.841 -7.723 4.954 1.00 42.32 H new ATOM 0 HB1 ALA A 58 -5.993 -7.008 3.970 1.00 43.14 H new ATOM 0 HB2 ALA A 58 -5.299 -5.755 5.027 1.00 43.14 H new ATOM 0 HB3 ALA A 58 -5.187 -5.589 3.259 1.00 43.14 H new ATOM 923 N TYR A 59 -3.093 -7.287 1.805 1.00 11.31 N ATOM 924 CA TYR A 59 -2.858 -7.995 0.553 1.00 12.30 C ATOM 925 C TYR A 59 -1.683 -8.958 0.689 1.00 1.34 C ATOM 926 O TYR A 59 -1.737 -10.079 0.197 1.00 72.22 O ATOM 927 CB TYR A 59 -2.609 -7.009 -0.592 1.00 44.24 C ATOM 928 CG TYR A 59 -2.382 -7.680 -1.931 1.00 1.33 C ATOM 929 CD1 TYR A 59 -3.440 -8.231 -2.646 1.00 35.33 C ATOM 930 CD2 TYR A 59 -1.111 -7.758 -2.481 1.00 13.31 C ATOM 931 CE1 TYR A 59 -3.233 -8.845 -3.867 1.00 65.50 C ATOM 932 CE2 TYR A 59 -0.897 -8.371 -3.700 1.00 33.42 C ATOM 933 CZ TYR A 59 -1.960 -8.909 -4.392 1.00 22.21 C ATOM 934 OH TYR A 59 -1.745 -9.524 -5.605 1.00 75.10 O ATOM 0 H TYR A 59 -2.765 -6.321 1.813 1.00 11.31 H new ATOM 0 HA TYR A 59 -3.753 -8.573 0.320 1.00 12.30 H new ATOM 0 HB2 TYR A 59 -3.462 -6.335 -0.672 1.00 44.24 H new ATOM 0 HB3 TYR A 59 -1.741 -6.396 -0.350 1.00 44.24 H new ATOM 0 HD1 TYR A 59 -4.440 -8.178 -2.241 1.00 35.33 H new ATOM 0 HD2 TYR A 59 -0.274 -7.332 -1.947 1.00 13.31 H new ATOM 0 HE1 TYR A 59 -4.065 -9.273 -4.407 1.00 65.50 H new ATOM 0 HE2 TYR A 59 0.101 -8.428 -4.110 1.00 33.42 H new ATOM 0 HH TYR A 59 -0.792 -9.480 -5.830 1.00 75.10 H new ATOM 944 N GLN A 60 -0.631 -8.528 1.376 1.00 71.21 N ATOM 945 CA GLN A 60 0.556 -9.360 1.547 1.00 70.02 C ATOM 946 C GLN A 60 0.215 -10.597 2.373 1.00 64.21 C ATOM 947 O GLN A 60 0.671 -11.702 2.077 1.00 2.24 O ATOM 948 CB GLN A 60 1.682 -8.557 2.211 1.00 13.20 C ATOM 949 CG GLN A 60 3.083 -9.094 1.938 1.00 30.23 C ATOM 950 CD GLN A 60 3.432 -10.334 2.743 1.00 11.45 C ATOM 951 OE1 GLN A 60 2.967 -10.514 3.870 1.00 45.31 O ATOM 952 NE2 GLN A 60 4.252 -11.199 2.168 1.00 61.24 N ATOM 0 H GLN A 60 -0.575 -7.612 1.822 1.00 71.21 H new ATOM 0 HA GLN A 60 0.903 -9.684 0.566 1.00 70.02 H new ATOM 0 HB2 GLN A 60 1.628 -7.525 1.866 1.00 13.20 H new ATOM 0 HB3 GLN A 60 1.515 -8.542 3.288 1.00 13.20 H new ATOM 0 HG2 GLN A 60 3.173 -9.324 0.876 1.00 30.23 H new ATOM 0 HG3 GLN A 60 3.811 -8.313 2.158 1.00 30.23 H new ATOM 0 HE21 GLN A 60 4.615 -11.013 1.233 1.00 61.24 H new ATOM 0 HE22 GLN A 60 4.521 -12.051 2.660 1.00 61.24 H new ATOM 961 N ASP A 61 -0.615 -10.405 3.392 1.00 54.40 N ATOM 962 CA ASP A 61 -1.033 -11.497 4.266 1.00 72.05 C ATOM 963 C ASP A 61 -1.742 -12.594 3.471 1.00 74.45 C ATOM 964 O ASP A 61 -1.480 -13.783 3.665 1.00 71.32 O ATOM 965 CB ASP A 61 -1.957 -10.965 5.365 1.00 43.02 C ATOM 966 CG ASP A 61 -2.339 -12.031 6.375 1.00 23.55 C ATOM 967 OD1 ASP A 61 -3.330 -12.754 6.138 1.00 73.41 O ATOM 968 OD2 ASP A 61 -1.650 -12.141 7.413 1.00 2.33 O ATOM 0 H ASP A 61 -1.014 -9.498 3.635 1.00 54.40 H new ATOM 0 HA ASP A 61 -0.142 -11.928 4.723 1.00 72.05 H new ATOM 0 HB2 ASP A 61 -1.464 -10.141 5.881 1.00 43.02 H new ATOM 0 HB3 ASP A 61 -2.861 -10.561 4.910 1.00 43.02 H new ATOM 973 N GLN A 62 -2.610 -12.188 2.547 1.00 73.51 N ATOM 974 CA GLN A 62 -3.400 -13.141 1.768 1.00 43.41 C ATOM 975 C GLN A 62 -2.587 -13.727 0.612 1.00 61.25 C ATOM 976 O GLN A 62 -3.071 -14.585 -0.127 1.00 72.03 O ATOM 977 CB GLN A 62 -4.684 -12.482 1.248 1.00 63.52 C ATOM 978 CG GLN A 62 -4.443 -11.311 0.313 1.00 61.04 C ATOM 979 CD GLN A 62 -5.719 -10.593 -0.071 1.00 65.31 C ATOM 980 OE1 GLN A 62 -6.363 -10.933 -1.061 1.00 73.43 O ATOM 981 NE2 GLN A 62 -6.095 -9.599 0.714 1.00 24.12 N ATOM 0 H GLN A 62 -2.784 -11.209 2.319 1.00 73.51 H new ATOM 0 HA GLN A 62 -3.676 -13.962 2.429 1.00 43.41 H new ATOM 0 HB2 GLN A 62 -5.280 -13.232 0.728 1.00 63.52 H new ATOM 0 HB3 GLN A 62 -5.274 -12.139 2.098 1.00 63.52 H new ATOM 0 HG2 GLN A 62 -3.764 -10.605 0.791 1.00 61.04 H new ATOM 0 HG3 GLN A 62 -3.947 -11.669 -0.589 1.00 61.04 H new ATOM 0 HE21 GLN A 62 -5.531 -9.349 1.526 1.00 24.12 H new ATOM 0 HE22 GLN A 62 -6.949 -9.081 0.508 1.00 24.12 H new ATOM 990 N ILE A 63 -1.350 -13.263 0.461 1.00 62.14 N ATOM 991 CA ILE A 63 -0.432 -13.832 -0.520 1.00 72.52 C ATOM 992 C ILE A 63 0.119 -15.158 0.004 1.00 41.13 C ATOM 993 O ILE A 63 0.518 -16.029 -0.772 1.00 73.34 O ATOM 994 CB ILE A 63 0.736 -12.862 -0.844 1.00 53.43 C ATOM 995 CG1 ILE A 63 0.214 -11.614 -1.559 1.00 65.21 C ATOM 996 CG2 ILE A 63 1.808 -13.541 -1.687 1.00 31.11 C ATOM 997 CD1 ILE A 63 -0.505 -11.913 -2.859 1.00 2.43 C ATOM 0 H ILE A 63 -0.960 -12.494 1.006 1.00 62.14 H new ATOM 0 HA ILE A 63 -0.986 -14.001 -1.444 1.00 72.52 H new ATOM 0 HB ILE A 63 1.190 -12.565 0.101 1.00 53.43 H new ATOM 0 HG12 ILE A 63 -0.465 -11.082 -0.893 1.00 65.21 H new ATOM 0 HG13 ILE A 63 1.051 -10.946 -1.762 1.00 65.21 H new ATOM 0 HG21 ILE A 63 2.610 -12.833 -1.895 1.00 31.11 H new ATOM 0 HG22 ILE A 63 2.211 -14.396 -1.144 1.00 31.11 H new ATOM 0 HG23 ILE A 63 1.371 -13.881 -2.626 1.00 31.11 H new ATOM 0 HD11 ILE A 63 -0.847 -10.981 -3.309 1.00 2.43 H new ATOM 0 HD12 ILE A 63 0.176 -12.418 -3.544 1.00 2.43 H new ATOM 0 HD13 ILE A 63 -1.363 -12.556 -2.661 1.00 2.43 H new ATOM 1009 N SER A 64 0.089 -15.301 1.331 1.00 35.11 N ATOM 1010 CA SER A 64 0.572 -16.498 2.021 1.00 65.44 C ATOM 1011 C SER A 64 2.098 -16.578 1.969 1.00 13.33 C ATOM 1012 O SER A 64 2.675 -17.118 1.023 1.00 23.45 O ATOM 1013 CB SER A 64 -0.056 -17.772 1.437 1.00 74.50 C ATOM 1014 OG SER A 64 -1.471 -17.660 1.369 1.00 43.45 O ATOM 0 H SER A 64 -0.273 -14.585 1.960 1.00 35.11 H new ATOM 0 HA SER A 64 0.267 -16.423 3.065 1.00 65.44 H new ATOM 0 HB2 SER A 64 0.346 -17.955 0.440 1.00 74.50 H new ATOM 0 HB3 SER A 64 0.215 -18.630 2.053 1.00 74.50 H new ATOM 0 HG SER A 64 -1.847 -18.483 0.992 1.00 43.45 H new ATOM 1020 N PRO A 65 2.771 -16.001 2.979 1.00 25.14 N ATOM 1021 CA PRO A 65 4.230 -16.035 3.083 1.00 20.55 C ATOM 1022 C PRO A 65 4.740 -17.439 3.384 1.00 74.30 C ATOM 1023 O PRO A 65 4.378 -18.039 4.398 1.00 64.04 O ATOM 1024 CB PRO A 65 4.539 -15.089 4.255 1.00 50.41 C ATOM 1025 CG PRO A 65 3.272 -14.343 4.511 1.00 3.10 C ATOM 1026 CD PRO A 65 2.165 -15.261 4.091 1.00 11.15 C ATOM 0 HA PRO A 65 4.713 -15.739 2.152 1.00 20.55 H new ATOM 0 HB2 PRO A 65 4.851 -15.647 5.138 1.00 50.41 H new ATOM 0 HB3 PRO A 65 5.352 -14.407 4.005 1.00 50.41 H new ATOM 0 HG2 PRO A 65 3.181 -14.077 5.564 1.00 3.10 H new ATOM 0 HG3 PRO A 65 3.245 -13.413 3.944 1.00 3.10 H new ATOM 0 HD2 PRO A 65 1.858 -15.924 4.900 1.00 11.15 H new ATOM 0 HD3 PRO A 65 1.278 -14.710 3.777 1.00 11.15 H new ATOM 1034 N VAL A 66 5.573 -17.961 2.497 1.00 65.40 N ATOM 1035 CA VAL A 66 6.122 -19.301 2.661 1.00 24.11 C ATOM 1036 C VAL A 66 7.029 -19.386 3.889 1.00 51.42 C ATOM 1037 O VAL A 66 7.747 -18.434 4.212 1.00 1.24 O ATOM 1038 CB VAL A 66 6.905 -19.754 1.410 1.00 21.51 C ATOM 1039 CG1 VAL A 66 5.969 -19.905 0.222 1.00 24.55 C ATOM 1040 CG2 VAL A 66 8.026 -18.776 1.081 1.00 54.12 C ATOM 0 H VAL A 66 5.885 -17.478 1.655 1.00 65.40 H new ATOM 0 HA VAL A 66 5.273 -19.970 2.801 1.00 24.11 H new ATOM 0 HB VAL A 66 7.354 -20.723 1.627 1.00 21.51 H new ATOM 0 HG11 VAL A 66 6.538 -20.225 -0.651 1.00 24.55 H new ATOM 0 HG12 VAL A 66 5.207 -20.650 0.451 1.00 24.55 H new ATOM 0 HG13 VAL A 66 5.490 -18.949 0.012 1.00 24.55 H new ATOM 0 HG21 VAL A 66 8.561 -19.120 0.196 1.00 54.12 H new ATOM 0 HG22 VAL A 66 7.604 -17.790 0.889 1.00 54.12 H new ATOM 0 HG23 VAL A 66 8.717 -18.718 1.922 1.00 54.12 H new ATOM 1050 N PRO A 67 6.991 -20.522 4.604 1.00 21.22 N ATOM 1051 CA PRO A 67 7.793 -20.727 5.808 1.00 63.42 C ATOM 1052 C PRO A 67 9.280 -20.880 5.500 1.00 51.20 C ATOM 1053 O PRO A 67 10.053 -19.933 5.653 1.00 75.11 O ATOM 1054 CB PRO A 67 7.235 -22.022 6.418 1.00 25.31 C ATOM 1055 CG PRO A 67 5.981 -22.318 5.660 1.00 10.32 C ATOM 1056 CD PRO A 67 6.150 -21.685 4.309 1.00 65.23 C ATOM 0 HA PRO A 67 7.727 -19.870 6.479 1.00 63.42 H new ATOM 0 HB2 PRO A 67 7.951 -22.839 6.325 1.00 25.31 H new ATOM 0 HB3 PRO A 67 7.030 -21.897 7.481 1.00 25.31 H new ATOM 0 HG2 PRO A 67 5.825 -23.393 5.570 1.00 10.32 H new ATOM 0 HG3 PRO A 67 5.110 -21.912 6.174 1.00 10.32 H new ATOM 0 HD2 PRO A 67 6.628 -22.362 3.601 1.00 65.23 H new ATOM 0 HD3 PRO A 67 5.193 -21.394 3.875 1.00 65.23 H new ATOM 1064 N GLY A 68 9.669 -22.064 5.047 1.00 41.33 N ATOM 1065 CA GLY A 68 11.063 -22.320 4.750 1.00 73.34 C ATOM 1066 C GLY A 68 11.272 -22.738 3.312 1.00 2.41 C ATOM 1067 O GLY A 68 11.861 -23.783 3.039 1.00 43.30 O ATOM 0 H GLY A 68 9.043 -22.852 4.880 1.00 41.33 H new ATOM 0 HA2 GLY A 68 11.647 -21.423 4.955 1.00 73.34 H new ATOM 0 HA3 GLY A 68 11.436 -23.101 5.412 1.00 73.34 H new ATOM 1071 N ALA A 69 10.787 -21.922 2.391 1.00 64.40 N ATOM 1072 CA ALA A 69 10.930 -22.209 0.972 1.00 5.13 C ATOM 1073 C ALA A 69 11.798 -21.151 0.300 1.00 21.14 C ATOM 1074 O ALA A 69 11.338 -20.040 0.028 1.00 53.32 O ATOM 1075 CB ALA A 69 9.564 -22.293 0.301 1.00 11.13 C ATOM 0 H ALA A 69 10.291 -21.056 2.600 1.00 64.40 H new ATOM 0 HA ALA A 69 11.422 -23.176 0.863 1.00 5.13 H new ATOM 0 HB1 ALA A 69 9.692 -22.508 -0.760 1.00 11.13 H new ATOM 0 HB2 ALA A 69 8.979 -23.088 0.764 1.00 11.13 H new ATOM 0 HB3 ALA A 69 9.042 -21.343 0.418 1.00 11.13 H new ATOM 1081 N PRO A 70 13.074 -21.479 0.050 1.00 45.32 N ATOM 1082 CA PRO A 70 14.023 -20.551 -0.564 1.00 40.40 C ATOM 1083 C PRO A 70 13.748 -20.333 -2.049 1.00 53.23 C ATOM 1084 O PRO A 70 13.889 -21.248 -2.866 1.00 41.34 O ATOM 1085 CB PRO A 70 15.377 -21.234 -0.355 1.00 34.41 C ATOM 1086 CG PRO A 70 15.061 -22.686 -0.265 1.00 14.43 C ATOM 1087 CD PRO A 70 13.692 -22.784 0.352 1.00 70.44 C ATOM 0 HA PRO A 70 13.964 -19.556 -0.122 1.00 40.40 H new ATOM 0 HB2 PRO A 70 16.056 -21.028 -1.182 1.00 34.41 H new ATOM 0 HB3 PRO A 70 15.864 -20.878 0.553 1.00 34.41 H new ATOM 0 HG2 PRO A 70 15.077 -23.149 -1.252 1.00 14.43 H new ATOM 0 HG3 PRO A 70 15.800 -23.208 0.344 1.00 14.43 H new ATOM 0 HD2 PRO A 70 13.119 -23.606 -0.076 1.00 70.44 H new ATOM 0 HD3 PRO A 70 13.749 -22.960 1.426 1.00 70.44 H new ATOM 1095 N LYS A 71 13.334 -19.124 -2.393 1.00 33.12 N ATOM 1096 CA LYS A 71 13.098 -18.766 -3.786 1.00 22.53 C ATOM 1097 C LYS A 71 14.147 -17.776 -4.267 1.00 5.51 C ATOM 1098 O LYS A 71 14.009 -17.163 -5.327 1.00 12.03 O ATOM 1099 CB LYS A 71 11.691 -18.194 -3.968 1.00 20.41 C ATOM 1100 CG LYS A 71 10.597 -19.246 -3.856 1.00 62.31 C ATOM 1101 CD LYS A 71 10.847 -20.397 -4.822 1.00 22.03 C ATOM 1102 CE LYS A 71 9.793 -21.484 -4.706 1.00 33.31 C ATOM 1103 NZ LYS A 71 10.146 -22.682 -5.519 1.00 33.24 N ATOM 0 H LYS A 71 13.154 -18.372 -1.728 1.00 33.12 H new ATOM 0 HA LYS A 71 13.177 -19.670 -4.390 1.00 22.53 H new ATOM 0 HB2 LYS A 71 11.521 -17.421 -3.219 1.00 20.41 H new ATOM 0 HB3 LYS A 71 11.625 -17.713 -4.944 1.00 20.41 H new ATOM 0 HG2 LYS A 71 10.555 -19.626 -2.835 1.00 62.31 H new ATOM 0 HG3 LYS A 71 9.628 -18.793 -4.067 1.00 62.31 H new ATOM 0 HD2 LYS A 71 10.862 -20.015 -5.843 1.00 22.03 H new ATOM 0 HD3 LYS A 71 11.830 -20.825 -4.628 1.00 22.03 H new ATOM 0 HE2 LYS A 71 9.682 -21.773 -3.661 1.00 33.31 H new ATOM 0 HE3 LYS A 71 8.829 -21.093 -5.033 1.00 33.31 H new ATOM 0 HZ1 LYS A 71 9.404 -23.403 -5.415 1.00 33.24 H new ATOM 0 HZ2 LYS A 71 10.228 -22.411 -6.520 1.00 33.24 H new ATOM 0 HZ3 LYS A 71 11.053 -23.070 -5.190 1.00 33.24 H new ATOM 1117 N ALA A 72 15.202 -17.642 -3.479 1.00 34.12 N ATOM 1118 CA ALA A 72 16.323 -16.785 -3.817 1.00 21.24 C ATOM 1119 C ALA A 72 17.609 -17.384 -3.258 1.00 44.31 C ATOM 1120 O ALA A 72 17.596 -17.991 -2.185 1.00 25.33 O ATOM 1121 CB ALA A 72 16.104 -15.380 -3.273 1.00 53.41 C ATOM 0 H ALA A 72 15.304 -18.126 -2.587 1.00 34.12 H new ATOM 0 HA ALA A 72 16.406 -16.716 -4.902 1.00 21.24 H new ATOM 0 HB1 ALA A 72 16.955 -14.751 -3.536 1.00 53.41 H new ATOM 0 HB2 ALA A 72 15.195 -14.960 -3.705 1.00 53.41 H new ATOM 0 HB3 ALA A 72 16.005 -15.421 -2.188 1.00 53.41 H new ATOM 1127 N PRO A 73 18.724 -17.254 -3.987 1.00 1.32 N ATOM 1128 CA PRO A 73 20.017 -17.783 -3.556 1.00 33.41 C ATOM 1129 C PRO A 73 20.610 -16.968 -2.412 1.00 72.14 C ATOM 1130 O PRO A 73 21.251 -15.942 -2.632 1.00 71.22 O ATOM 1131 CB PRO A 73 20.901 -17.680 -4.808 1.00 62.25 C ATOM 1132 CG PRO A 73 19.981 -17.300 -5.923 1.00 43.33 C ATOM 1133 CD PRO A 73 18.823 -16.591 -5.289 1.00 13.02 C ATOM 0 HA PRO A 73 19.932 -18.801 -3.176 1.00 33.41 H new ATOM 0 HB2 PRO A 73 21.683 -16.933 -4.674 1.00 62.25 H new ATOM 0 HB3 PRO A 73 21.397 -18.628 -5.016 1.00 62.25 H new ATOM 0 HG2 PRO A 73 20.486 -16.654 -6.641 1.00 43.33 H new ATOM 0 HG3 PRO A 73 19.646 -18.182 -6.468 1.00 43.33 H new ATOM 0 HD2 PRO A 73 19.008 -15.522 -5.187 1.00 13.02 H new ATOM 0 HD3 PRO A 73 17.909 -16.703 -5.873 1.00 13.02 H new ATOM 1141 N ALA A 74 20.361 -17.416 -1.194 1.00 12.35 N ATOM 1142 CA ALA A 74 20.857 -16.738 -0.006 1.00 11.14 C ATOM 1143 C ALA A 74 20.870 -17.700 1.171 1.00 70.23 C ATOM 1144 O ALA A 74 20.482 -18.863 1.033 1.00 43.23 O ATOM 1145 CB ALA A 74 19.991 -15.526 0.312 1.00 72.52 C ATOM 0 H ALA A 74 19.813 -18.254 -1.000 1.00 12.35 H new ATOM 0 HA ALA A 74 21.875 -16.396 -0.194 1.00 11.14 H new ATOM 0 HB1 ALA A 74 20.374 -15.029 1.203 1.00 72.52 H new ATOM 0 HB2 ALA A 74 20.013 -14.832 -0.528 1.00 72.52 H new ATOM 0 HB3 ALA A 74 18.965 -15.848 0.489 1.00 72.52 H new ATOM 1151 N ALA A 75 21.315 -17.215 2.315 1.00 30.23 N ATOM 1152 CA ALA A 75 21.336 -18.011 3.526 1.00 74.10 C ATOM 1153 C ALA A 75 20.151 -17.639 4.403 1.00 44.43 C ATOM 1154 O ALA A 75 19.263 -18.495 4.604 1.00 39.85 O ATOM 1155 CB ALA A 75 22.648 -17.814 4.274 1.00 51.13 C ATOM 1156 OXT ALA A 75 20.088 -16.474 4.849 1.00 39.85 O ATOM 0 H ALA A 75 21.669 -16.265 2.430 1.00 30.23 H new ATOM 0 HA ALA A 75 21.259 -19.065 3.261 1.00 74.10 H new ATOM 0 HB1 ALA A 75 22.645 -18.420 5.180 1.00 51.13 H new ATOM 0 HB2 ALA A 75 23.479 -18.118 3.637 1.00 51.13 H new ATOM 0 HB3 ALA A 75 22.761 -16.763 4.540 1.00 51.13 H new TER 1162 ALA A 75