USER MOD reduce.3.24.130724 H: found=0, std=0, add=557, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 558 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 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 SER OG : rot 180:sc= -0.136 USER MOD Single : A 4 SER OG : rot 180:sc= 0.0106 USER MOD Single : A 5 HIS : no HD1:sc=-0.00137 X(o=-0.0014,f=-0.0032) 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 9 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 11 SER OG : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot -17:sc= 0.858 USER MOD Single : A 29 THR OG1 : rot 95:sc= 1.31 USER MOD Single : A 30 ASN : amide:sc= -0.114 X(o=-0.11,f=-0.25) USER MOD Single : A 36 SER OG : rot 77:sc= 1.28 USER MOD Single : A 49 HIS : no HE2:sc= -0.737 K(o=-0.74,f=-3) USER MOD Single : A 73 HIS : no HD1:sc= -0.221 X(o=-0.22,f=0.051) USER MOD Single : A 85 THR OG1 : rot 74:sc= 1.28 USER MOD Single : A 91 HIS : no HE2:sc= 0.993 K(o=0.99,f=-6.3!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 21.951 25.033 40.105 1.00 0.00 N ATOM 2 CA MET A 1 20.845 25.620 39.316 1.00 52.33 C ATOM 3 C MET A 1 21.388 26.271 38.053 1.00 23.33 C ATOM 4 O MET A 1 21.986 27.345 38.103 1.00 71.14 O ATOM 5 CB MET A 1 20.075 26.655 40.144 1.00 14.03 C ATOM 6 CG MET A 1 18.927 27.310 39.388 1.00 21.42 C ATOM 7 SD MET A 1 18.085 28.579 40.356 1.00 60.20 S ATOM 8 CE MET A 1 16.839 29.110 39.186 1.00 54.30 C ATOM 0 H1 MET A 1 21.568 24.591 40.965 1.00 0.00 H new ATOM 0 H2 MET A 1 22.440 24.314 39.535 1.00 0.00 H new ATOM 0 H3 MET A 1 22.623 25.781 40.370 1.00 0.00 H new ATOM 0 HA MET A 1 20.161 24.817 39.040 1.00 52.33 H new ATOM 0 HB2 MET A 1 19.681 26.172 41.038 1.00 14.03 H new ATOM 0 HB3 MET A 1 20.767 27.428 40.478 1.00 14.03 H new ATOM 0 HG2 MET A 1 19.310 27.755 38.469 1.00 21.42 H new ATOM 0 HG3 MET A 1 18.207 26.545 39.096 1.00 21.42 H new ATOM 0 HE1 MET A 1 16.231 29.896 39.634 1.00 54.30 H new ATOM 0 HE2 MET A 1 17.323 29.493 38.288 1.00 54.30 H new ATOM 0 HE3 MET A 1 16.203 28.265 38.923 1.00 54.30 H new ATOM 20 N GLY A 2 21.188 25.606 36.928 1.00 12.44 N ATOM 21 CA GLY A 2 21.669 26.118 35.661 1.00 44.11 C ATOM 22 C GLY A 2 21.851 25.008 34.652 1.00 1.31 C ATOM 23 O GLY A 2 22.038 23.852 35.028 1.00 13.45 O ATOM 0 H GLY A 2 20.697 24.714 36.868 1.00 12.44 H new ATOM 0 HA2 GLY A 2 20.964 26.853 35.273 1.00 44.11 H new ATOM 0 HA3 GLY A 2 22.617 26.634 35.812 1.00 44.11 H new ATOM 27 N SER A 3 21.785 25.346 33.374 1.00 13.32 N ATOM 28 CA SER A 3 21.910 24.355 32.319 1.00 11.03 C ATOM 29 C SER A 3 22.444 24.993 31.044 1.00 33.44 C ATOM 30 O SER A 3 21.685 25.531 30.240 1.00 70.33 O ATOM 31 CB SER A 3 20.555 23.693 32.051 1.00 24.41 C ATOM 32 OG SER A 3 20.018 23.139 33.242 1.00 31.30 O ATOM 0 H SER A 3 21.645 26.301 33.043 1.00 13.32 H new ATOM 0 HA SER A 3 22.617 23.592 32.645 1.00 11.03 H new ATOM 0 HB2 SER A 3 19.861 24.428 31.642 1.00 24.41 H new ATOM 0 HB3 SER A 3 20.670 22.911 31.301 1.00 24.41 H new ATOM 0 HG SER A 3 19.152 22.723 33.048 1.00 31.30 H new ATOM 38 N SER A 4 23.754 24.954 30.875 1.00 2.43 N ATOM 39 CA SER A 4 24.385 25.493 29.685 1.00 43.34 C ATOM 40 C SER A 4 24.893 24.363 28.797 1.00 50.12 C ATOM 41 O SER A 4 26.097 24.166 28.634 1.00 32.34 O ATOM 42 CB SER A 4 25.516 26.443 30.077 1.00 12.25 C ATOM 43 OG SER A 4 26.191 25.976 31.236 1.00 11.34 O ATOM 0 H SER A 4 24.404 24.552 31.551 1.00 2.43 H new ATOM 0 HA SER A 4 23.649 26.060 29.115 1.00 43.34 H new ATOM 0 HB2 SER A 4 26.222 26.534 29.252 1.00 12.25 H new ATOM 0 HB3 SER A 4 25.112 27.438 30.263 1.00 12.25 H new ATOM 0 HG SER A 4 26.912 26.598 31.468 1.00 11.34 H new ATOM 49 N HIS A 5 23.954 23.605 28.252 1.00 42.43 N ATOM 50 CA HIS A 5 24.267 22.487 27.376 1.00 4.51 C ATOM 51 C HIS A 5 23.075 22.201 26.472 1.00 31.44 C ATOM 52 O HIS A 5 21.938 22.130 26.940 1.00 21.35 O ATOM 53 CB HIS A 5 24.660 21.235 28.182 1.00 31.32 C ATOM 54 CG HIS A 5 23.692 20.847 29.266 1.00 62.42 C ATOM 55 ND1 HIS A 5 23.874 21.186 30.592 1.00 21.21 N ATOM 56 CD2 HIS A 5 22.539 20.139 29.220 1.00 42.12 C ATOM 57 CE1 HIS A 5 22.876 20.704 31.307 1.00 50.41 C ATOM 58 NE2 HIS A 5 22.050 20.067 30.503 1.00 72.52 N ATOM 0 H HIS A 5 22.955 23.747 28.404 1.00 42.43 H new ATOM 0 HA HIS A 5 25.126 22.755 26.761 1.00 4.51 H new ATOM 0 HB2 HIS A 5 24.766 20.397 27.494 1.00 31.32 H new ATOM 0 HB3 HIS A 5 25.638 21.404 28.632 1.00 31.32 H new ATOM 0 HD2 HIS A 5 22.087 19.710 28.338 1.00 42.12 H new ATOM 0 HE1 HIS A 5 22.756 20.814 32.375 1.00 50.41 H new ATOM 0 HE2 HIS A 5 21.190 19.598 30.785 1.00 72.52 H new ATOM 67 N HIS A 6 23.331 22.069 25.180 1.00 24.23 N ATOM 68 CA HIS A 6 22.267 21.849 24.209 1.00 12.30 C ATOM 69 C HIS A 6 22.761 21.000 23.045 1.00 25.51 C ATOM 70 O HIS A 6 23.953 20.995 22.731 1.00 70.32 O ATOM 71 CB HIS A 6 21.718 23.190 23.699 1.00 45.21 C ATOM 72 CG HIS A 6 22.756 24.100 23.113 1.00 33.31 C ATOM 73 ND1 HIS A 6 23.433 25.038 23.859 1.00 34.13 N ATOM 74 CD2 HIS A 6 23.228 24.218 21.851 1.00 23.55 C ATOM 75 CE1 HIS A 6 24.271 25.695 23.085 1.00 20.11 C ATOM 76 NE2 HIS A 6 24.169 25.218 21.860 1.00 22.35 N ATOM 0 H HIS A 6 24.267 22.110 24.778 1.00 24.23 H new ATOM 0 HA HIS A 6 21.461 21.310 24.706 1.00 12.30 H new ATOM 0 HB2 HIS A 6 20.956 22.994 22.944 1.00 45.21 H new ATOM 0 HB3 HIS A 6 21.225 23.704 24.524 1.00 45.21 H new ATOM 0 HD2 HIS A 6 22.922 23.634 20.995 1.00 23.55 H new ATOM 0 HE1 HIS A 6 24.930 26.490 23.400 1.00 20.11 H new ATOM 0 HE2 HIS A 6 24.702 25.539 21.052 1.00 22.35 H new ATOM 85 N HIS A 7 21.841 20.282 22.418 1.00 4.21 N ATOM 86 CA HIS A 7 22.169 19.424 21.288 1.00 3.15 C ATOM 87 C HIS A 7 20.922 19.203 20.438 1.00 31.20 C ATOM 88 O HIS A 7 20.234 18.190 20.568 1.00 74.05 O ATOM 89 CB HIS A 7 22.737 18.085 21.783 1.00 1.33 C ATOM 90 CG HIS A 7 23.213 17.179 20.689 1.00 33.12 C ATOM 91 ND1 HIS A 7 22.554 16.027 20.327 1.00 65.23 N ATOM 92 CD2 HIS A 7 24.300 17.256 19.888 1.00 54.45 C ATOM 93 CE1 HIS A 7 23.214 15.432 19.354 1.00 34.14 C ATOM 94 NE2 HIS A 7 24.281 16.156 19.065 1.00 31.03 N ATOM 0 H HIS A 7 20.854 20.277 22.675 1.00 4.21 H new ATOM 0 HA HIS A 7 22.931 19.907 20.676 1.00 3.15 H new ATOM 0 HB2 HIS A 7 23.566 18.283 22.462 1.00 1.33 H new ATOM 0 HB3 HIS A 7 21.970 17.568 22.360 1.00 1.33 H new ATOM 0 HD2 HIS A 7 25.045 18.038 19.894 1.00 54.45 H new ATOM 0 HE1 HIS A 7 22.930 14.507 18.873 1.00 34.14 H new ATOM 0 HE2 HIS A 7 24.975 15.935 18.350 1.00 31.03 H new ATOM 103 N HIS A 8 20.620 20.171 19.585 1.00 42.32 N ATOM 104 CA HIS A 8 19.401 20.134 18.790 1.00 74.32 C ATOM 105 C HIS A 8 19.571 20.954 17.513 1.00 31.31 C ATOM 106 O HIS A 8 19.088 22.083 17.422 1.00 40.32 O ATOM 107 CB HIS A 8 18.221 20.668 19.618 1.00 41.24 C ATOM 108 CG HIS A 8 16.870 20.427 19.007 1.00 4.25 C ATOM 109 ND1 HIS A 8 16.142 19.281 19.230 1.00 1.52 N ATOM 110 CD2 HIS A 8 16.108 21.199 18.196 1.00 31.12 C ATOM 111 CE1 HIS A 8 14.993 19.358 18.586 1.00 50.23 C ATOM 112 NE2 HIS A 8 14.945 20.512 17.949 1.00 2.13 N ATOM 0 H HIS A 8 21.203 20.993 19.425 1.00 42.32 H new ATOM 0 HA HIS A 8 19.195 19.101 18.508 1.00 74.32 H new ATOM 0 HB2 HIS A 8 18.247 20.205 20.604 1.00 41.24 H new ATOM 0 HB3 HIS A 8 18.353 21.740 19.765 1.00 41.24 H new ATOM 0 HD2 HIS A 8 16.367 22.175 17.814 1.00 31.12 H new ATOM 0 HE1 HIS A 8 14.221 18.603 18.581 1.00 50.23 H new ATOM 0 HE2 HIS A 8 14.172 20.840 17.369 1.00 2.13 H new ATOM 121 N HIS A 9 20.283 20.391 16.540 1.00 54.41 N ATOM 122 CA HIS A 9 20.518 21.071 15.267 1.00 33.22 C ATOM 123 C HIS A 9 21.300 20.178 14.307 1.00 60.11 C ATOM 124 O HIS A 9 22.453 19.843 14.570 1.00 21.33 O ATOM 125 CB HIS A 9 21.293 22.384 15.486 1.00 12.43 C ATOM 126 CG HIS A 9 21.551 23.155 14.225 1.00 61.23 C ATOM 127 ND1 HIS A 9 22.774 23.186 13.596 1.00 53.31 N ATOM 128 CD2 HIS A 9 20.728 23.925 13.479 1.00 21.34 C ATOM 129 CE1 HIS A 9 22.693 23.941 12.518 1.00 45.11 C ATOM 130 NE2 HIS A 9 21.459 24.401 12.421 1.00 54.34 N ATOM 0 H HIS A 9 20.708 19.466 16.608 1.00 54.41 H new ATOM 0 HA HIS A 9 19.545 21.296 14.830 1.00 33.22 H new ATOM 0 HB2 HIS A 9 20.733 23.014 16.177 1.00 12.43 H new ATOM 0 HB3 HIS A 9 22.246 22.157 15.963 1.00 12.43 H new ATOM 0 HD2 HIS A 9 19.686 24.128 13.679 1.00 21.34 H new ATOM 0 HE1 HIS A 9 23.500 24.148 11.830 1.00 45.11 H new ATOM 0 HE2 HIS A 9 21.108 25.010 11.682 1.00 54.34 H new ATOM 139 N HIS A 10 20.665 19.780 13.211 1.00 33.25 N ATOM 140 CA HIS A 10 21.373 19.091 12.133 1.00 33.11 C ATOM 141 C HIS A 10 20.544 19.104 10.851 1.00 24.33 C ATOM 142 O HIS A 10 20.806 18.347 9.920 1.00 72.24 O ATOM 143 CB HIS A 10 21.761 17.649 12.532 1.00 22.42 C ATOM 144 CG HIS A 10 20.648 16.642 12.521 1.00 74.02 C ATOM 145 ND1 HIS A 10 20.508 15.705 11.523 1.00 62.44 N ATOM 146 CD2 HIS A 10 19.656 16.393 13.410 1.00 70.41 C ATOM 147 CE1 HIS A 10 19.480 14.926 11.791 1.00 74.21 C ATOM 148 NE2 HIS A 10 18.944 15.318 12.933 1.00 62.10 N ATOM 0 H HIS A 10 19.669 19.920 13.043 1.00 33.25 H new ATOM 0 HA HIS A 10 22.300 19.633 11.947 1.00 33.11 H new ATOM 0 HB2 HIS A 10 22.543 17.304 11.856 1.00 22.42 H new ATOM 0 HB3 HIS A 10 22.192 17.674 13.533 1.00 22.42 H new ATOM 0 HD2 HIS A 10 19.461 16.937 14.322 1.00 70.41 H new ATOM 0 HE1 HIS A 10 19.134 14.105 11.180 1.00 74.21 H new ATOM 0 HE2 HIS A 10 18.135 14.893 13.386 1.00 62.10 H new ATOM 157 N SER A 11 19.555 19.991 10.796 1.00 51.33 N ATOM 158 CA SER A 11 18.710 20.111 9.617 1.00 60.32 C ATOM 159 C SER A 11 19.415 20.927 8.537 1.00 23.43 C ATOM 160 O SER A 11 19.575 22.143 8.667 1.00 72.40 O ATOM 161 CB SER A 11 17.383 20.771 9.986 1.00 13.33 C ATOM 162 OG SER A 11 16.739 20.070 11.040 1.00 71.30 O ATOM 0 H SER A 11 19.321 20.634 11.552 1.00 51.33 H new ATOM 0 HA SER A 11 18.514 19.112 9.228 1.00 60.32 H new ATOM 0 HB2 SER A 11 17.558 21.804 10.286 1.00 13.33 H new ATOM 0 HB3 SER A 11 16.732 20.799 9.112 1.00 13.33 H new ATOM 0 HG SER A 11 15.893 20.513 11.259 1.00 71.30 H new ATOM 168 N SER A 12 19.871 20.247 7.493 1.00 73.22 N ATOM 169 CA SER A 12 20.555 20.900 6.380 1.00 43.22 C ATOM 170 C SER A 12 20.486 20.031 5.125 1.00 23.24 C ATOM 171 O SER A 12 20.772 18.830 5.174 1.00 24.43 O ATOM 172 CB SER A 12 22.023 21.181 6.739 1.00 12.12 C ATOM 173 OG SER A 12 22.123 22.011 7.890 1.00 74.34 O ATOM 0 H SER A 12 19.779 19.236 7.392 1.00 73.22 H new ATOM 0 HA SER A 12 20.053 21.847 6.182 1.00 43.22 H new ATOM 0 HB2 SER A 12 22.542 20.240 6.920 1.00 12.12 H new ATOM 0 HB3 SER A 12 22.520 21.662 5.897 1.00 12.12 H new ATOM 0 HG SER A 12 21.262 22.451 8.052 1.00 74.34 H new ATOM 179 N GLY A 13 20.085 20.629 4.011 1.00 1.04 N ATOM 180 CA GLY A 13 20.090 19.909 2.755 1.00 55.20 C ATOM 181 C GLY A 13 18.734 19.881 2.075 1.00 43.21 C ATOM 182 O GLY A 13 18.246 18.816 1.699 1.00 41.43 O ATOM 0 H GLY A 13 19.758 21.594 3.955 1.00 1.04 H new ATOM 0 HA2 GLY A 13 20.816 20.368 2.084 1.00 55.20 H new ATOM 0 HA3 GLY A 13 20.421 18.886 2.932 1.00 55.20 H new ATOM 186 N ARG A 14 18.115 21.043 1.927 1.00 75.11 N ATOM 187 CA ARG A 14 16.871 21.150 1.177 1.00 44.15 C ATOM 188 C ARG A 14 17.132 21.720 -0.211 1.00 64.23 C ATOM 189 O ARG A 14 17.106 22.934 -0.412 1.00 32.02 O ATOM 190 CB ARG A 14 15.843 22.015 1.912 1.00 73.43 C ATOM 191 CG ARG A 14 14.982 21.241 2.897 1.00 35.20 C ATOM 192 CD ARG A 14 13.935 22.142 3.530 1.00 13.31 C ATOM 193 NE ARG A 14 12.915 21.383 4.250 1.00 53.14 N ATOM 194 CZ ARG A 14 12.082 21.919 5.139 1.00 2.10 C ATOM 195 NH1 ARG A 14 12.193 23.198 5.469 1.00 40.43 N ATOM 196 NH2 ARG A 14 11.147 21.169 5.705 1.00 25.53 N ATOM 0 H ARG A 14 18.452 21.924 2.315 1.00 75.11 H new ATOM 0 HA ARG A 14 16.460 20.145 1.080 1.00 44.15 H new ATOM 0 HB2 ARG A 14 16.365 22.809 2.446 1.00 73.43 H new ATOM 0 HB3 ARG A 14 15.196 22.496 1.179 1.00 73.43 H new ATOM 0 HG2 ARG A 14 14.492 20.413 2.385 1.00 35.20 H new ATOM 0 HG3 ARG A 14 15.612 20.808 3.674 1.00 35.20 H new ATOM 0 HD2 ARG A 14 14.422 22.835 4.216 1.00 13.31 H new ATOM 0 HD3 ARG A 14 13.459 22.743 2.755 1.00 13.31 H new ATOM 0 HE ARG A 14 12.837 20.384 4.060 1.00 53.14 H new ATOM 0 HH11 ARG A 14 12.918 23.774 5.041 1.00 40.43 H new ATOM 0 HH12 ARG A 14 11.553 23.606 6.151 1.00 40.43 H new ATOM 0 HH21 ARG A 14 11.067 20.182 5.459 1.00 25.53 H new ATOM 0 HH22 ARG A 14 10.508 21.579 6.386 1.00 25.53 H new ATOM 210 N GLU A 15 17.414 20.834 -1.157 1.00 43.14 N ATOM 211 CA GLU A 15 17.631 21.235 -2.540 1.00 25.32 C ATOM 212 C GLU A 15 16.677 20.496 -3.470 1.00 11.25 C ATOM 213 O GLU A 15 16.643 20.755 -4.673 1.00 23.14 O ATOM 214 CB GLU A 15 19.079 20.973 -2.956 1.00 42.23 C ATOM 215 CG GLU A 15 20.095 21.775 -2.159 1.00 3.11 C ATOM 216 CD GLU A 15 21.490 21.659 -2.729 1.00 11.44 C ATOM 217 OE1 GLU A 15 21.762 22.300 -3.764 1.00 55.22 O ATOM 218 OE2 GLU A 15 22.316 20.920 -2.156 1.00 64.52 O ATOM 0 H GLU A 15 17.498 19.831 -0.991 1.00 43.14 H new ATOM 0 HA GLU A 15 17.434 22.304 -2.617 1.00 25.32 H new ATOM 0 HB2 GLU A 15 19.295 19.911 -2.840 1.00 42.23 H new ATOM 0 HB3 GLU A 15 19.192 21.208 -4.014 1.00 42.23 H new ATOM 0 HG2 GLU A 15 19.797 22.823 -2.144 1.00 3.11 H new ATOM 0 HG3 GLU A 15 20.097 21.430 -1.125 1.00 3.11 H new ATOM 341 N LEU A 23 0.407 11.611 -7.674 1.00 34.41 N ATOM 342 CA LEU A 23 0.505 10.760 -6.495 1.00 33.24 C ATOM 343 C LEU A 23 1.661 9.784 -6.662 1.00 72.35 C ATOM 344 O LEU A 23 2.085 9.505 -7.783 1.00 20.51 O ATOM 345 CB LEU A 23 -0.801 9.985 -6.258 1.00 34.52 C ATOM 346 CG LEU A 23 -2.024 10.832 -5.888 1.00 73.24 C ATOM 347 CD1 LEU A 23 -2.589 11.554 -7.106 1.00 52.44 C ATOM 348 CD2 LEU A 23 -3.091 9.965 -5.237 1.00 21.12 C ATOM 0 HA LEU A 23 0.684 11.397 -5.628 1.00 33.24 H new ATOM 0 HB2 LEU A 23 -1.034 9.420 -7.160 1.00 34.52 H new ATOM 0 HB3 LEU A 23 -0.631 9.260 -5.462 1.00 34.52 H new ATOM 0 HG LEU A 23 -1.704 11.590 -5.173 1.00 73.24 H new ATOM 0 HD11 LEU A 23 -3.455 12.145 -6.809 1.00 52.44 H new ATOM 0 HD12 LEU A 23 -1.827 12.211 -7.525 1.00 52.44 H new ATOM 0 HD13 LEU A 23 -2.889 10.822 -7.856 1.00 52.44 H new ATOM 0 HD21 LEU A 23 -3.953 10.581 -4.980 1.00 21.12 H new ATOM 0 HD22 LEU A 23 -3.398 9.183 -5.931 1.00 21.12 H new ATOM 0 HD23 LEU A 23 -2.688 9.510 -4.333 1.00 21.12 H new ATOM 360 N ARG A 24 2.167 9.271 -5.554 1.00 14.43 N ATOM 361 CA ARG A 24 3.274 8.334 -5.590 1.00 0.22 C ATOM 362 C ARG A 24 2.989 7.164 -4.659 1.00 74.22 C ATOM 363 O ARG A 24 2.562 7.366 -3.521 1.00 41.14 O ATOM 364 CB ARG A 24 4.573 9.036 -5.181 1.00 30.24 C ATOM 365 CG ARG A 24 5.805 8.185 -5.413 1.00 14.32 C ATOM 366 CD ARG A 24 7.081 8.871 -4.956 1.00 12.34 C ATOM 367 NE ARG A 24 8.260 8.087 -5.327 1.00 40.15 N ATOM 368 CZ ARG A 24 9.333 7.920 -4.550 1.00 33.21 C ATOM 369 NH1 ARG A 24 9.404 8.491 -3.354 1.00 12.23 N ATOM 370 NH2 ARG A 24 10.339 7.165 -4.964 1.00 72.22 N ATOM 0 H ARG A 24 1.827 9.489 -4.617 1.00 14.43 H new ATOM 0 HA ARG A 24 3.389 7.957 -6.606 1.00 0.22 H new ATOM 0 HB2 ARG A 24 4.669 9.965 -5.742 1.00 30.24 H new ATOM 0 HB3 ARG A 24 4.517 9.305 -4.126 1.00 30.24 H new ATOM 0 HG2 ARG A 24 5.695 7.239 -4.882 1.00 14.32 H new ATOM 0 HG3 ARG A 24 5.884 7.948 -6.474 1.00 14.32 H new ATOM 0 HD2 ARG A 24 7.145 9.863 -5.402 1.00 12.34 H new ATOM 0 HD3 ARG A 24 7.057 9.009 -3.875 1.00 12.34 H new ATOM 0 HE ARG A 24 8.262 7.637 -6.242 1.00 40.15 H new ATOM 0 HH11 ARG A 24 8.632 9.067 -3.017 1.00 12.23 H new ATOM 0 HH12 ARG A 24 10.230 8.354 -2.772 1.00 12.23 H new ATOM 0 HH21 ARG A 24 10.294 6.711 -5.876 1.00 72.22 H new ATOM 0 HH22 ARG A 24 11.159 7.037 -4.371 1.00 72.22 H new ATOM 384 N GLU A 25 3.209 5.941 -5.134 1.00 71.52 N ATOM 385 CA GLU A 25 2.941 4.772 -4.313 1.00 70.25 C ATOM 386 C GLU A 25 4.015 4.661 -3.238 1.00 1.34 C ATOM 387 O GLU A 25 5.216 4.732 -3.522 1.00 64.34 O ATOM 388 CB GLU A 25 2.834 3.498 -5.172 1.00 43.52 C ATOM 389 CG GLU A 25 4.112 2.689 -5.311 1.00 62.35 C ATOM 390 CD GLU A 25 4.091 1.782 -6.527 1.00 55.40 C ATOM 391 OE1 GLU A 25 3.450 0.710 -6.467 1.00 64.34 O ATOM 392 OE2 GLU A 25 4.707 2.144 -7.554 1.00 34.33 O ATOM 0 H GLU A 25 3.566 5.739 -6.068 1.00 71.52 H new ATOM 0 HA GLU A 25 1.975 4.885 -3.821 1.00 70.25 H new ATOM 0 HB2 GLU A 25 2.064 2.856 -4.743 1.00 43.52 H new ATOM 0 HB3 GLU A 25 2.495 3.781 -6.168 1.00 43.52 H new ATOM 0 HG2 GLU A 25 4.963 3.367 -5.381 1.00 62.35 H new ATOM 0 HG3 GLU A 25 4.257 2.087 -4.414 1.00 62.35 H new ATOM 399 N LEU A 26 3.573 4.545 -2.002 1.00 54.34 N ATOM 400 CA LEU A 26 4.467 4.619 -0.867 1.00 42.31 C ATOM 401 C LEU A 26 4.719 3.239 -0.276 1.00 12.43 C ATOM 402 O LEU A 26 5.796 2.961 0.259 1.00 2.14 O ATOM 403 CB LEU A 26 3.854 5.557 0.174 1.00 65.44 C ATOM 404 CG LEU A 26 4.685 5.824 1.432 1.00 12.42 C ATOM 405 CD1 LEU A 26 6.050 6.385 1.072 1.00 43.33 C ATOM 406 CD2 LEU A 26 3.940 6.789 2.338 1.00 22.35 C ATOM 0 H LEU A 26 2.593 4.398 -1.758 1.00 54.34 H new ATOM 0 HA LEU A 26 5.433 5.009 -1.189 1.00 42.31 H new ATOM 0 HB2 LEU A 26 3.649 6.513 -0.308 1.00 65.44 H new ATOM 0 HB3 LEU A 26 2.894 5.143 0.482 1.00 65.44 H new ATOM 0 HG LEU A 26 4.838 4.881 1.957 1.00 12.42 H new ATOM 0 HD11 LEU A 26 6.621 6.566 1.983 1.00 43.33 H new ATOM 0 HD12 LEU A 26 6.583 5.670 0.446 1.00 43.33 H new ATOM 0 HD13 LEU A 26 5.927 7.322 0.529 1.00 43.33 H new ATOM 0 HD21 LEU A 26 4.532 6.978 3.233 1.00 22.35 H new ATOM 0 HD22 LEU A 26 3.771 7.727 1.810 1.00 22.35 H new ATOM 0 HD23 LEU A 26 2.981 6.355 2.622 1.00 22.35 H new ATOM 418 N LEU A 27 3.737 2.361 -0.400 1.00 64.32 N ATOM 419 CA LEU A 27 3.835 1.036 0.191 1.00 63.40 C ATOM 420 C LEU A 27 2.802 0.090 -0.402 1.00 22.42 C ATOM 421 O LEU A 27 1.789 0.521 -0.954 1.00 13.23 O ATOM 422 CB LEU A 27 3.668 1.089 1.721 1.00 52.40 C ATOM 423 CG LEU A 27 2.293 1.535 2.239 1.00 62.02 C ATOM 424 CD1 LEU A 27 2.046 0.964 3.628 1.00 24.52 C ATOM 425 CD2 LEU A 27 2.187 3.057 2.275 1.00 75.13 C ATOM 0 H LEU A 27 2.867 2.540 -0.902 1.00 64.32 H new ATOM 0 HA LEU A 27 4.831 0.659 -0.039 1.00 63.40 H new ATOM 0 HB2 LEU A 27 3.881 0.098 2.123 1.00 52.40 H new ATOM 0 HB3 LEU A 27 4.422 1.765 2.124 1.00 52.40 H new ATOM 0 HG LEU A 27 1.534 1.156 1.554 1.00 62.02 H new ATOM 0 HD11 LEU A 27 1.068 1.287 3.985 1.00 24.52 H new ATOM 0 HD12 LEU A 27 2.075 -0.125 3.584 1.00 24.52 H new ATOM 0 HD13 LEU A 27 2.818 1.321 4.310 1.00 24.52 H new ATOM 0 HD21 LEU A 27 1.203 3.345 2.646 1.00 75.13 H new ATOM 0 HD22 LEU A 27 2.955 3.460 2.935 1.00 75.13 H new ATOM 0 HD23 LEU A 27 2.327 3.455 1.270 1.00 75.13 H new ATOM 437 N ARG A 28 3.077 -1.198 -0.276 1.00 4.34 N ATOM 438 CA ARG A 28 2.184 -2.252 -0.734 1.00 11.44 C ATOM 439 C ARG A 28 2.298 -3.429 0.217 1.00 3.51 C ATOM 440 O ARG A 28 3.405 -3.881 0.513 1.00 32.35 O ATOM 441 CB ARG A 28 2.548 -2.680 -2.161 1.00 30.30 C ATOM 442 CG ARG A 28 4.045 -2.881 -2.371 1.00 51.15 C ATOM 443 CD ARG A 28 4.363 -3.400 -3.767 1.00 51.43 C ATOM 444 NE ARG A 28 4.062 -4.823 -3.919 1.00 33.13 N ATOM 445 CZ ARG A 28 4.027 -5.455 -5.095 1.00 73.40 C ATOM 446 NH1 ARG A 28 4.160 -4.776 -6.230 1.00 11.24 N ATOM 447 NH2 ARG A 28 3.826 -6.765 -5.134 1.00 51.41 N ATOM 0 H ARG A 28 3.935 -1.546 0.152 1.00 4.34 H new ATOM 0 HA ARG A 28 1.157 -1.886 -0.746 1.00 11.44 H new ATOM 0 HB2 ARG A 28 2.028 -3.608 -2.398 1.00 30.30 H new ATOM 0 HB3 ARG A 28 2.189 -1.926 -2.861 1.00 30.30 H new ATOM 0 HG2 ARG A 28 4.563 -1.936 -2.209 1.00 51.15 H new ATOM 0 HG3 ARG A 28 4.424 -3.583 -1.629 1.00 51.15 H new ATOM 0 HD2 ARG A 28 3.792 -2.831 -4.501 1.00 51.43 H new ATOM 0 HD3 ARG A 28 5.418 -3.230 -3.982 1.00 51.43 H new ATOM 0 HE ARG A 28 3.867 -5.365 -3.077 1.00 33.13 H new ATOM 0 HH11 ARG A 28 4.290 -3.765 -6.207 1.00 11.24 H new ATOM 0 HH12 ARG A 28 4.132 -5.266 -7.124 1.00 11.24 H new ATOM 0 HH21 ARG A 28 3.699 -7.287 -4.267 1.00 51.41 H new ATOM 0 HH22 ARG A 28 3.799 -7.250 -6.031 1.00 51.41 H new ATOM 461 N THR A 29 1.177 -3.915 0.717 1.00 0.01 N ATOM 462 CA THR A 29 1.218 -4.973 1.706 1.00 52.02 C ATOM 463 C THR A 29 0.077 -5.967 1.516 1.00 2.55 C ATOM 464 O THR A 29 -0.916 -5.684 0.841 1.00 73.04 O ATOM 465 CB THR A 29 1.188 -4.400 3.143 1.00 14.33 C ATOM 466 OG1 THR A 29 1.380 -5.449 4.099 1.00 11.41 O ATOM 467 CG2 THR A 29 -0.126 -3.692 3.428 1.00 1.11 C ATOM 0 H THR A 29 0.242 -3.600 0.459 1.00 0.01 H new ATOM 0 HA THR A 29 2.159 -5.504 1.562 1.00 52.02 H new ATOM 0 HB THR A 29 1.998 -3.675 3.227 1.00 14.33 H new ATOM 0 HG1 THR A 29 2.329 -5.505 4.337 1.00 11.41 H new ATOM 0 HG21 THR A 29 -0.115 -3.301 4.445 1.00 1.11 H new ATOM 0 HG22 THR A 29 -0.256 -2.870 2.724 1.00 1.11 H new ATOM 0 HG23 THR A 29 -0.950 -4.397 3.319 1.00 1.11 H new ATOM 475 N ASN A 30 0.240 -7.135 2.116 1.00 30.22 N ATOM 476 CA ASN A 30 -0.747 -8.202 2.036 1.00 65.50 C ATOM 477 C ASN A 30 -1.485 -8.342 3.358 1.00 1.22 C ATOM 478 O ASN A 30 -2.339 -9.221 3.521 1.00 12.34 O ATOM 479 CB ASN A 30 -0.063 -9.525 1.669 1.00 45.11 C ATOM 480 CG ASN A 30 1.132 -9.826 2.558 1.00 33.30 C ATOM 481 OD1 ASN A 30 2.248 -9.388 2.281 1.00 45.12 O ATOM 482 ND2 ASN A 30 0.914 -10.574 3.625 1.00 32.04 N ATOM 0 H ASN A 30 1.061 -7.371 2.673 1.00 30.22 H new ATOM 0 HA ASN A 30 -1.470 -7.951 1.260 1.00 65.50 H new ATOM 0 HB2 ASN A 30 -0.785 -10.338 1.748 1.00 45.11 H new ATOM 0 HB3 ASN A 30 0.262 -9.487 0.629 1.00 45.11 H new ATOM 0 HD21 ASN A 30 1.685 -10.806 4.251 1.00 32.04 H new ATOM 0 HD22 ASN A 30 -0.025 -10.919 3.823 1.00 32.04 H new ATOM 489 N ASP A 31 -1.149 -7.476 4.306 1.00 34.14 N ATOM 490 CA ASP A 31 -1.797 -7.481 5.609 1.00 34.31 C ATOM 491 C ASP A 31 -2.914 -6.447 5.634 1.00 74.51 C ATOM 492 O ASP A 31 -2.670 -5.255 5.451 1.00 14.53 O ATOM 493 CB ASP A 31 -0.790 -7.181 6.718 1.00 13.25 C ATOM 494 CG ASP A 31 -1.354 -7.437 8.102 1.00 73.12 C ATOM 495 OD1 ASP A 31 -2.190 -6.638 8.573 1.00 75.32 O ATOM 496 OD2 ASP A 31 -0.968 -8.444 8.727 1.00 65.04 O ATOM 0 H ASP A 31 -0.430 -6.761 4.195 1.00 34.14 H new ATOM 0 HA ASP A 31 -2.215 -8.473 5.782 1.00 34.31 H new ATOM 0 HB2 ASP A 31 0.099 -7.795 6.573 1.00 13.25 H new ATOM 0 HB3 ASP A 31 -0.474 -6.140 6.645 1.00 13.25 H new ATOM 501 N ALA A 32 -4.133 -6.909 5.870 1.00 70.30 N ATOM 502 CA ALA A 32 -5.310 -6.054 5.802 1.00 51.02 C ATOM 503 C ALA A 32 -5.344 -5.038 6.939 1.00 2.31 C ATOM 504 O ALA A 32 -5.602 -3.852 6.714 1.00 14.12 O ATOM 505 CB ALA A 32 -6.574 -6.899 5.813 1.00 74.02 C ATOM 0 H ALA A 32 -4.334 -7.879 6.112 1.00 70.30 H new ATOM 0 HA ALA A 32 -5.257 -5.496 4.867 1.00 51.02 H new ATOM 0 HB1 ALA A 32 -7.447 -6.248 5.762 1.00 74.02 H new ATOM 0 HB2 ALA A 32 -6.571 -7.570 4.954 1.00 74.02 H new ATOM 0 HB3 ALA A 32 -6.612 -7.485 6.731 1.00 74.02 H new ATOM 511 N VAL A 33 -5.076 -5.502 8.153 1.00 1.44 N ATOM 512 CA VAL A 33 -5.125 -4.641 9.328 1.00 1.53 C ATOM 513 C VAL A 33 -4.031 -3.584 9.276 1.00 4.33 C ATOM 514 O VAL A 33 -4.291 -2.402 9.504 1.00 23.31 O ATOM 515 CB VAL A 33 -5.006 -5.453 10.635 1.00 11.33 C ATOM 516 CG1 VAL A 33 -4.951 -4.535 11.848 1.00 31.31 C ATOM 517 CG2 VAL A 33 -6.173 -6.419 10.751 1.00 61.25 C ATOM 0 H VAL A 33 -4.822 -6.470 8.350 1.00 1.44 H new ATOM 0 HA VAL A 33 -6.096 -4.146 9.320 1.00 1.53 H new ATOM 0 HB VAL A 33 -4.076 -6.020 10.605 1.00 11.33 H new ATOM 0 HG11 VAL A 33 -4.867 -5.134 12.754 1.00 31.31 H new ATOM 0 HG12 VAL A 33 -4.086 -3.877 11.767 1.00 31.31 H new ATOM 0 HG13 VAL A 33 -5.860 -3.936 11.892 1.00 31.31 H new ATOM 0 HG21 VAL A 33 -6.083 -6.989 11.676 1.00 61.25 H new ATOM 0 HG22 VAL A 33 -7.109 -5.860 10.759 1.00 61.25 H new ATOM 0 HG23 VAL A 33 -6.166 -7.102 9.902 1.00 61.25 H new ATOM 527 N LEU A 34 -2.814 -4.006 8.955 1.00 31.34 N ATOM 528 CA LEU A 34 -1.686 -3.086 8.876 1.00 62.32 C ATOM 529 C LEU A 34 -1.934 -2.032 7.802 1.00 2.01 C ATOM 530 O LEU A 34 -1.654 -0.850 8.003 1.00 61.42 O ATOM 531 CB LEU A 34 -0.394 -3.855 8.586 1.00 32.32 C ATOM 532 CG LEU A 34 0.888 -3.015 8.605 1.00 51.42 C ATOM 533 CD1 LEU A 34 1.073 -2.353 9.963 1.00 2.42 C ATOM 534 CD2 LEU A 34 2.092 -3.880 8.265 1.00 71.14 C ATOM 0 H LEU A 34 -2.583 -4.977 8.746 1.00 31.34 H new ATOM 0 HA LEU A 34 -1.580 -2.580 9.836 1.00 62.32 H new ATOM 0 HB2 LEU A 34 -0.295 -4.655 9.319 1.00 32.32 H new ATOM 0 HB3 LEU A 34 -0.484 -4.328 7.608 1.00 32.32 H new ATOM 0 HG LEU A 34 0.800 -2.232 7.852 1.00 51.42 H new ATOM 0 HD11 LEU A 34 1.988 -1.761 9.958 1.00 2.42 H new ATOM 0 HD12 LEU A 34 0.222 -1.704 10.170 1.00 2.42 H new ATOM 0 HD13 LEU A 34 1.141 -3.119 10.735 1.00 2.42 H new ATOM 0 HD21 LEU A 34 2.995 -3.270 8.282 1.00 71.14 H new ATOM 0 HD22 LEU A 34 2.182 -4.682 8.997 1.00 71.14 H new ATOM 0 HD23 LEU A 34 1.963 -4.309 7.271 1.00 71.14 H new ATOM 546 N LEU A 35 -2.478 -2.471 6.671 1.00 61.21 N ATOM 547 CA LEU A 35 -2.822 -1.573 5.580 1.00 50.31 C ATOM 548 C LEU A 35 -3.828 -0.531 6.059 1.00 50.31 C ATOM 549 O LEU A 35 -3.688 0.661 5.779 1.00 14.23 O ATOM 550 CB LEU A 35 -3.403 -2.382 4.411 1.00 41.12 C ATOM 551 CG LEU A 35 -3.316 -1.731 3.028 1.00 10.41 C ATOM 552 CD1 LEU A 35 -3.574 -2.770 1.954 1.00 51.31 C ATOM 553 CD2 LEU A 35 -4.308 -0.585 2.887 1.00 25.50 C ATOM 0 H LEU A 35 -2.690 -3.452 6.488 1.00 61.21 H new ATOM 0 HA LEU A 35 -1.924 -1.056 5.241 1.00 50.31 H new ATOM 0 HB2 LEU A 35 -2.889 -3.342 4.370 1.00 41.12 H new ATOM 0 HB3 LEU A 35 -4.451 -2.590 4.626 1.00 41.12 H new ATOM 0 HG LEU A 35 -2.312 -1.323 2.911 1.00 10.41 H new ATOM 0 HD11 LEU A 35 -3.511 -2.301 0.972 1.00 51.31 H new ATOM 0 HD12 LEU A 35 -2.828 -3.562 2.027 1.00 51.31 H new ATOM 0 HD13 LEU A 35 -4.569 -3.195 2.090 1.00 51.31 H new ATOM 0 HD21 LEU A 35 -4.218 -0.146 1.893 1.00 25.50 H new ATOM 0 HD22 LEU A 35 -5.321 -0.961 3.027 1.00 25.50 H new ATOM 0 HD23 LEU A 35 -4.096 0.175 3.639 1.00 25.50 H new ATOM 565 N SER A 36 -4.829 -0.990 6.798 1.00 71.32 N ATOM 566 CA SER A 36 -5.871 -0.111 7.307 1.00 24.54 C ATOM 567 C SER A 36 -5.293 0.889 8.310 1.00 50.43 C ATOM 568 O SER A 36 -5.636 2.073 8.290 1.00 24.41 O ATOM 569 CB SER A 36 -6.977 -0.943 7.959 1.00 51.40 C ATOM 570 OG SER A 36 -7.464 -1.933 7.064 1.00 11.51 O ATOM 0 H SER A 36 -4.941 -1.970 7.059 1.00 71.32 H new ATOM 0 HA SER A 36 -6.293 0.451 6.474 1.00 24.54 H new ATOM 0 HB2 SER A 36 -6.594 -1.420 8.861 1.00 51.40 H new ATOM 0 HB3 SER A 36 -7.795 -0.291 8.266 1.00 51.40 H new ATOM 0 HG SER A 36 -6.823 -2.673 7.014 1.00 11.51 H new ATOM 576 N ALA A 37 -4.401 0.405 9.171 1.00 20.43 N ATOM 577 CA ALA A 37 -3.763 1.246 10.177 1.00 24.32 C ATOM 578 C ALA A 37 -2.943 2.356 9.525 1.00 55.32 C ATOM 579 O ALA A 37 -3.110 3.534 9.849 1.00 61.31 O ATOM 580 CB ALA A 37 -2.882 0.399 11.085 1.00 54.44 C ATOM 0 H ALA A 37 -4.103 -0.570 9.191 1.00 20.43 H new ATOM 0 HA ALA A 37 -4.544 1.713 10.777 1.00 24.32 H new ATOM 0 HB1 ALA A 37 -2.410 1.037 11.833 1.00 54.44 H new ATOM 0 HB2 ALA A 37 -3.492 -0.355 11.584 1.00 54.44 H new ATOM 0 HB3 ALA A 37 -2.112 -0.093 10.490 1.00 54.44 H new ATOM 586 N VAL A 38 -2.067 1.974 8.599 1.00 3.31 N ATOM 587 CA VAL A 38 -1.224 2.934 7.890 1.00 41.01 C ATOM 588 C VAL A 38 -2.071 3.887 7.049 1.00 0.20 C ATOM 589 O VAL A 38 -1.810 5.091 6.994 1.00 62.50 O ATOM 590 CB VAL A 38 -0.199 2.216 6.982 1.00 63.04 C ATOM 591 CG1 VAL A 38 0.621 3.217 6.180 1.00 74.41 C ATOM 592 CG2 VAL A 38 0.711 1.322 7.810 1.00 53.15 C ATOM 0 H VAL A 38 -1.922 1.003 8.321 1.00 3.31 H new ATOM 0 HA VAL A 38 -0.684 3.508 8.643 1.00 41.01 H new ATOM 0 HB VAL A 38 -0.751 1.594 6.277 1.00 63.04 H new ATOM 0 HG11 VAL A 38 1.333 2.683 5.551 1.00 74.41 H new ATOM 0 HG12 VAL A 38 -0.043 3.811 5.552 1.00 74.41 H new ATOM 0 HG13 VAL A 38 1.161 3.874 6.862 1.00 74.41 H new ATOM 0 HG21 VAL A 38 1.426 0.824 7.155 1.00 53.15 H new ATOM 0 HG22 VAL A 38 1.248 1.927 8.541 1.00 53.15 H new ATOM 0 HG23 VAL A 38 0.112 0.573 8.328 1.00 53.15 H new ATOM 602 N GLY A 39 -3.096 3.338 6.411 1.00 24.35 N ATOM 603 CA GLY A 39 -3.967 4.133 5.570 1.00 44.22 C ATOM 604 C GLY A 39 -4.693 5.210 6.350 1.00 25.50 C ATOM 605 O GLY A 39 -4.804 6.348 5.891 1.00 54.33 O ATOM 0 H GLY A 39 -3.340 2.349 6.462 1.00 24.35 H new ATOM 0 HA2 GLY A 39 -3.380 4.595 4.777 1.00 44.22 H new ATOM 0 HA3 GLY A 39 -4.697 3.482 5.088 1.00 44.22 H new ATOM 609 N ALA A 40 -5.178 4.855 7.536 1.00 63.00 N ATOM 610 CA ALA A 40 -5.861 5.805 8.403 1.00 35.21 C ATOM 611 C ALA A 40 -4.905 6.897 8.870 1.00 15.15 C ATOM 612 O ALA A 40 -5.300 8.047 9.043 1.00 23.32 O ATOM 613 CB ALA A 40 -6.470 5.092 9.597 1.00 60.51 C ATOM 0 H ALA A 40 -5.109 3.912 7.918 1.00 63.00 H new ATOM 0 HA ALA A 40 -6.662 6.273 7.830 1.00 35.21 H new ATOM 0 HB1 ALA A 40 -6.976 5.817 10.234 1.00 60.51 H new ATOM 0 HB2 ALA A 40 -7.189 4.350 9.250 1.00 60.51 H new ATOM 0 HB3 ALA A 40 -5.683 4.597 10.165 1.00 60.51 H new ATOM 619 N LEU A 41 -3.646 6.529 9.067 1.00 21.12 N ATOM 620 CA LEU A 41 -2.616 7.483 9.465 1.00 73.51 C ATOM 621 C LEU A 41 -2.430 8.547 8.390 1.00 73.12 C ATOM 622 O LEU A 41 -2.430 9.749 8.671 1.00 1.11 O ATOM 623 CB LEU A 41 -1.286 6.761 9.708 1.00 62.32 C ATOM 624 CG LEU A 41 -1.250 5.826 10.917 1.00 31.43 C ATOM 625 CD1 LEU A 41 0.047 5.033 10.938 1.00 32.44 C ATOM 626 CD2 LEU A 41 -1.391 6.623 12.202 1.00 14.34 C ATOM 0 H LEU A 41 -3.311 5.572 8.957 1.00 21.12 H new ATOM 0 HA LEU A 41 -2.936 7.964 10.389 1.00 73.51 H new ATOM 0 HB2 LEU A 41 -1.040 6.183 8.817 1.00 62.32 H new ATOM 0 HB3 LEU A 41 -0.504 7.510 9.828 1.00 62.32 H new ATOM 0 HG LEU A 41 -2.085 5.129 10.839 1.00 31.43 H new ATOM 0 HD11 LEU A 41 0.056 4.373 11.805 1.00 32.44 H new ATOM 0 HD12 LEU A 41 0.124 4.438 10.028 1.00 32.44 H new ATOM 0 HD13 LEU A 41 0.892 5.719 10.996 1.00 32.44 H new ATOM 0 HD21 LEU A 41 -1.364 5.945 13.055 1.00 14.34 H new ATOM 0 HD22 LEU A 41 -0.571 7.337 12.279 1.00 14.34 H new ATOM 0 HD23 LEU A 41 -2.340 7.160 12.195 1.00 14.34 H new ATOM 638 N LEU A 42 -2.286 8.093 7.156 1.00 53.23 N ATOM 639 CA LEU A 42 -2.033 8.983 6.030 1.00 0.44 C ATOM 640 C LEU A 42 -3.271 9.806 5.694 1.00 53.12 C ATOM 641 O LEU A 42 -3.181 11.010 5.444 1.00 33.43 O ATOM 642 CB LEU A 42 -1.584 8.167 4.817 1.00 22.32 C ATOM 643 CG LEU A 42 -0.364 7.274 5.066 1.00 63.31 C ATOM 644 CD1 LEU A 42 -0.029 6.455 3.832 1.00 13.43 C ATOM 645 CD2 LEU A 42 0.831 8.111 5.490 1.00 61.02 C ATOM 0 H LEU A 42 -2.340 7.106 6.905 1.00 53.23 H new ATOM 0 HA LEU A 42 -1.239 9.676 6.307 1.00 0.44 H new ATOM 0 HB2 LEU A 42 -2.414 7.542 4.488 1.00 22.32 H new ATOM 0 HB3 LEU A 42 -1.357 8.851 3.999 1.00 22.32 H new ATOM 0 HG LEU A 42 -0.609 6.584 5.874 1.00 63.31 H new ATOM 0 HD11 LEU A 42 0.841 5.830 4.035 1.00 13.43 H new ATOM 0 HD12 LEU A 42 -0.878 5.822 3.574 1.00 13.43 H new ATOM 0 HD13 LEU A 42 0.192 7.124 3.000 1.00 13.43 H new ATOM 0 HD21 LEU A 42 1.688 7.460 5.663 1.00 61.02 H new ATOM 0 HD22 LEU A 42 1.071 8.827 4.704 1.00 61.02 H new ATOM 0 HD23 LEU A 42 0.592 8.647 6.408 1.00 61.02 H new ATOM 657 N ASP A 43 -4.430 9.160 5.707 1.00 11.23 N ATOM 658 CA ASP A 43 -5.693 9.845 5.446 1.00 20.02 C ATOM 659 C ASP A 43 -6.012 10.830 6.567 1.00 64.43 C ATOM 660 O ASP A 43 -6.559 11.908 6.327 1.00 13.45 O ATOM 661 CB ASP A 43 -6.834 8.837 5.290 1.00 30.52 C ATOM 662 CG ASP A 43 -8.179 9.511 5.102 1.00 32.51 C ATOM 663 OD1 ASP A 43 -8.415 10.085 4.018 1.00 54.34 O ATOM 664 OD2 ASP A 43 -9.008 9.468 6.035 1.00 2.24 O ATOM 0 H ASP A 43 -4.523 8.162 5.895 1.00 11.23 H new ATOM 0 HA ASP A 43 -5.590 10.399 4.513 1.00 20.02 H new ATOM 0 HB2 ASP A 43 -6.631 8.192 4.435 1.00 30.52 H new ATOM 0 HB3 ASP A 43 -6.872 8.196 6.171 1.00 30.52 H new ATOM 669 N GLY A 44 -5.654 10.458 7.791 1.00 40.15 N ATOM 670 CA GLY A 44 -5.866 11.333 8.932 1.00 64.13 C ATOM 671 C GLY A 44 -5.002 12.576 8.871 1.00 61.34 C ATOM 672 O GLY A 44 -5.325 13.601 9.467 1.00 42.14 O ATOM 0 H GLY A 44 -5.219 9.563 8.015 1.00 40.15 H new ATOM 0 HA2 GLY A 44 -6.916 11.624 8.974 1.00 64.13 H new ATOM 0 HA3 GLY A 44 -5.650 10.788 9.851 1.00 64.13 H new ATOM 676 N ALA A 45 -3.904 12.492 8.135 1.00 33.53 N ATOM 677 CA ALA A 45 -3.017 13.632 7.956 1.00 12.01 C ATOM 678 C ALA A 45 -3.431 14.445 6.734 1.00 10.42 C ATOM 679 O ALA A 45 -2.687 15.308 6.266 1.00 22.53 O ATOM 680 CB ALA A 45 -1.581 13.158 7.820 1.00 21.24 C ATOM 0 H ALA A 45 -3.605 11.645 7.651 1.00 33.53 H new ATOM 0 HA ALA A 45 -3.091 14.275 8.833 1.00 12.01 H new ATOM 0 HB1 ALA A 45 -0.925 14.018 7.686 1.00 21.24 H new ATOM 0 HB2 ALA A 45 -1.290 12.616 8.720 1.00 21.24 H new ATOM 0 HB3 ALA A 45 -1.496 12.499 6.956 1.00 21.24 H new ATOM 686 N ASP A 46 -4.620 14.135 6.220 1.00 3.51 N ATOM 687 CA ASP A 46 -5.212 14.825 5.063 1.00 22.45 C ATOM 688 C ASP A 46 -4.437 14.521 3.778 1.00 13.33 C ATOM 689 O ASP A 46 -4.721 15.068 2.715 1.00 20.25 O ATOM 690 CB ASP A 46 -5.304 16.342 5.298 1.00 54.31 C ATOM 691 CG ASP A 46 -6.224 17.028 4.303 1.00 72.34 C ATOM 692 OD1 ASP A 46 -7.453 16.816 4.385 1.00 12.04 O ATOM 693 OD2 ASP A 46 -5.729 17.779 3.434 1.00 63.11 O ATOM 0 H ASP A 46 -5.209 13.392 6.595 1.00 3.51 H new ATOM 0 HA ASP A 46 -6.226 14.444 4.944 1.00 22.45 H new ATOM 0 HB2 ASP A 46 -5.664 16.529 6.310 1.00 54.31 H new ATOM 0 HB3 ASP A 46 -4.308 16.779 5.228 1.00 54.31 H new ATOM 698 N ILE A 47 -3.474 13.615 3.880 1.00 24.43 N ATOM 699 CA ILE A 47 -2.711 13.171 2.723 1.00 44.22 C ATOM 700 C ILE A 47 -3.586 12.266 1.869 1.00 32.43 C ATOM 701 O ILE A 47 -3.396 12.138 0.659 1.00 20.03 O ATOM 702 CB ILE A 47 -1.437 12.410 3.151 1.00 50.23 C ATOM 703 CG1 ILE A 47 -0.595 13.273 4.095 1.00 42.45 C ATOM 704 CG2 ILE A 47 -0.617 12.006 1.934 1.00 2.54 C ATOM 705 CD1 ILE A 47 0.636 12.569 4.629 1.00 25.01 C ATOM 0 H ILE A 47 -3.202 13.172 4.757 1.00 24.43 H new ATOM 0 HA ILE A 47 -2.404 14.047 2.151 1.00 44.22 H new ATOM 0 HB ILE A 47 -1.739 11.505 3.678 1.00 50.23 H new ATOM 0 HG12 ILE A 47 -0.286 14.176 3.569 1.00 42.45 H new ATOM 0 HG13 ILE A 47 -1.215 13.589 4.934 1.00 42.45 H new ATOM 0 HG21 ILE A 47 0.276 11.471 2.258 1.00 2.54 H new ATOM 0 HG22 ILE A 47 -1.214 11.359 1.291 1.00 2.54 H new ATOM 0 HG23 ILE A 47 -0.325 12.898 1.380 1.00 2.54 H new ATOM 0 HD11 ILE A 47 1.182 13.242 5.290 1.00 25.01 H new ATOM 0 HD12 ILE A 47 0.335 11.680 5.184 1.00 25.01 H new ATOM 0 HD13 ILE A 47 1.278 12.277 3.798 1.00 25.01 H new ATOM 717 N GLY A 48 -4.572 11.674 2.520 1.00 55.03 N ATOM 718 CA GLY A 48 -5.463 10.762 1.849 1.00 3.21 C ATOM 719 C GLY A 48 -4.772 9.464 1.503 1.00 52.43 C ATOM 720 O GLY A 48 -3.816 9.067 2.174 1.00 14.04 O ATOM 0 H GLY A 48 -4.770 11.812 3.511 1.00 55.03 H new ATOM 0 HA2 GLY A 48 -6.324 10.558 2.486 1.00 3.21 H new ATOM 0 HA3 GLY A 48 -5.843 11.227 0.939 1.00 3.21 H new ATOM 724 N HIS A 49 -5.254 8.801 0.467 1.00 42.23 N ATOM 725 CA HIS A 49 -4.636 7.573 -0.016 1.00 3.04 C ATOM 726 C HIS A 49 -5.286 7.118 -1.306 1.00 75.34 C ATOM 727 O HIS A 49 -6.489 7.282 -1.493 1.00 64.32 O ATOM 728 CB HIS A 49 -4.714 6.438 1.024 1.00 53.05 C ATOM 729 CG HIS A 49 -6.088 6.170 1.581 1.00 22.31 C ATOM 730 ND1 HIS A 49 -7.203 5.909 0.805 1.00 73.12 N ATOM 731 CD2 HIS A 49 -6.513 6.126 2.864 1.00 33.14 C ATOM 732 CE1 HIS A 49 -8.248 5.717 1.593 1.00 12.44 C ATOM 733 NE2 HIS A 49 -7.853 5.843 2.843 1.00 43.22 N ATOM 0 H HIS A 49 -6.077 9.093 -0.061 1.00 42.23 H new ATOM 0 HA HIS A 49 -3.585 7.799 -0.196 1.00 3.04 H new ATOM 0 HB2 HIS A 49 -4.340 5.522 0.567 1.00 53.05 H new ATOM 0 HB3 HIS A 49 -4.045 6.678 1.850 1.00 53.05 H new ATOM 0 HD1 HIS A 49 -7.217 5.871 -0.214 1.00 73.12 H new ATOM 0 HD2 HIS A 49 -5.907 6.285 3.744 1.00 33.14 H new ATOM 0 HE1 HIS A 49 -9.253 5.495 1.267 1.00 12.44 H new ATOM 742 N LEU A 50 -4.483 6.576 -2.199 1.00 62.21 N ATOM 743 CA LEU A 50 -5.007 5.887 -3.359 1.00 12.40 C ATOM 744 C LEU A 50 -4.771 4.395 -3.190 1.00 60.43 C ATOM 745 O LEU A 50 -3.732 3.871 -3.578 1.00 14.20 O ATOM 746 CB LEU A 50 -4.355 6.401 -4.646 1.00 61.21 C ATOM 747 CG LEU A 50 -4.937 5.831 -5.943 1.00 3.42 C ATOM 748 CD1 LEU A 50 -6.416 6.164 -6.060 1.00 53.53 C ATOM 749 CD2 LEU A 50 -4.172 6.360 -7.148 1.00 3.41 C ATOM 0 H LEU A 50 -3.465 6.600 -2.143 1.00 62.21 H new ATOM 0 HA LEU A 50 -6.077 6.080 -3.441 1.00 12.40 H new ATOM 0 HB2 LEU A 50 -4.446 7.487 -4.672 1.00 61.21 H new ATOM 0 HB3 LEU A 50 -3.290 6.171 -4.612 1.00 61.21 H new ATOM 0 HG LEU A 50 -4.833 4.746 -5.918 1.00 3.42 H new ATOM 0 HD11 LEU A 50 -6.810 5.750 -6.988 1.00 53.53 H new ATOM 0 HD12 LEU A 50 -6.954 5.735 -5.214 1.00 53.53 H new ATOM 0 HD13 LEU A 50 -6.546 7.246 -6.061 1.00 53.53 H new ATOM 0 HD21 LEU A 50 -4.599 5.945 -8.061 1.00 3.41 H new ATOM 0 HD22 LEU A 50 -4.244 7.447 -7.176 1.00 3.41 H new ATOM 0 HD23 LEU A 50 -3.125 6.067 -7.071 1.00 3.41 H new ATOM 761 N VAL A 51 -5.725 3.731 -2.553 1.00 52.32 N ATOM 762 CA VAL A 51 -5.631 2.300 -2.289 1.00 25.03 C ATOM 763 C VAL A 51 -6.605 1.550 -3.184 1.00 35.42 C ATOM 764 O VAL A 51 -7.024 0.426 -2.896 1.00 1.14 O ATOM 765 CB VAL A 51 -5.922 1.973 -0.805 1.00 23.33 C ATOM 766 CG1 VAL A 51 -4.835 2.544 0.086 1.00 51.14 C ATOM 767 CG2 VAL A 51 -7.283 2.506 -0.378 1.00 22.25 C ATOM 0 H VAL A 51 -6.581 4.164 -2.206 1.00 52.32 H new ATOM 0 HA VAL A 51 -4.611 1.984 -2.506 1.00 25.03 H new ATOM 0 HB VAL A 51 -5.935 0.888 -0.699 1.00 23.33 H new ATOM 0 HG11 VAL A 51 -5.055 2.305 1.127 1.00 51.14 H new ATOM 0 HG12 VAL A 51 -3.873 2.111 -0.190 1.00 51.14 H new ATOM 0 HG13 VAL A 51 -4.795 3.626 -0.037 1.00 51.14 H new ATOM 0 HG21 VAL A 51 -7.458 2.260 0.669 1.00 22.25 H new ATOM 0 HG22 VAL A 51 -7.306 3.588 -0.505 1.00 22.25 H new ATOM 0 HG23 VAL A 51 -8.061 2.052 -0.992 1.00 22.25 H new ATOM 999 N PRO A 67 -1.643 -7.266 -4.317 1.00 34.43 N ATOM 1000 CA PRO A 67 -1.598 -6.641 -2.995 1.00 13.44 C ATOM 1001 C PRO A 67 -1.971 -5.167 -3.064 1.00 72.45 C ATOM 1002 O PRO A 67 -1.380 -4.402 -3.827 1.00 1.00 O ATOM 1003 CB PRO A 67 -0.140 -6.812 -2.554 1.00 31.32 C ATOM 1004 CG PRO A 67 0.621 -7.062 -3.809 1.00 42.32 C ATOM 1005 CD PRO A 67 -0.325 -7.767 -4.735 1.00 31.34 C ATOM 0 HA PRO A 67 -2.307 -7.092 -2.301 1.00 13.44 H new ATOM 0 HB2 PRO A 67 0.224 -5.920 -2.044 1.00 31.32 H new ATOM 0 HB3 PRO A 67 -0.034 -7.644 -1.857 1.00 31.32 H new ATOM 0 HG2 PRO A 67 0.970 -6.126 -4.246 1.00 42.32 H new ATOM 0 HG3 PRO A 67 1.503 -7.672 -3.615 1.00 42.32 H new ATOM 0 HD2 PRO A 67 -0.117 -7.531 -5.779 1.00 31.34 H new ATOM 0 HD3 PRO A 67 -0.255 -8.850 -4.633 1.00 31.34 H new ATOM 1013 N ARG A 68 -2.967 -4.781 -2.279 1.00 3.01 N ATOM 1014 CA ARG A 68 -3.437 -3.406 -2.271 1.00 35.11 C ATOM 1015 C ARG A 68 -2.319 -2.476 -1.818 1.00 42.13 C ATOM 1016 O ARG A 68 -1.592 -2.778 -0.866 1.00 64.04 O ATOM 1017 CB ARG A 68 -4.662 -3.263 -1.360 1.00 45.31 C ATOM 1018 CG ARG A 68 -5.362 -1.916 -1.484 1.00 41.31 C ATOM 1019 CD ARG A 68 -6.616 -1.837 -0.620 1.00 54.43 C ATOM 1020 NE ARG A 68 -7.550 -2.933 -0.889 1.00 24.13 N ATOM 1021 CZ ARG A 68 -8.223 -3.090 -2.031 1.00 64.12 C ATOM 1022 NH1 ARG A 68 -8.113 -2.203 -3.012 1.00 52.14 N ATOM 1023 NH2 ARG A 68 -9.040 -4.124 -2.172 1.00 53.21 N ATOM 0 H ARG A 68 -3.464 -5.402 -1.640 1.00 3.01 H new ATOM 0 HA ARG A 68 -3.732 -3.129 -3.283 1.00 35.11 H new ATOM 0 HB2 ARG A 68 -5.373 -4.055 -1.595 1.00 45.31 H new ATOM 0 HB3 ARG A 68 -4.353 -3.408 -0.325 1.00 45.31 H new ATOM 0 HG2 ARG A 68 -4.673 -1.122 -1.195 1.00 41.31 H new ATOM 0 HG3 ARG A 68 -5.629 -1.742 -2.526 1.00 41.31 H new ATOM 0 HD2 ARG A 68 -6.331 -1.856 0.432 1.00 54.43 H new ATOM 0 HD3 ARG A 68 -7.117 -0.885 -0.797 1.00 54.43 H new ATOM 0 HE ARG A 68 -7.696 -3.624 -0.153 1.00 24.13 H new ATOM 0 HH11 ARG A 68 -7.509 -1.389 -2.898 1.00 52.14 H new ATOM 0 HH12 ARG A 68 -8.633 -2.335 -3.880 1.00 52.14 H new ATOM 0 HH21 ARG A 68 -9.151 -4.794 -1.411 1.00 53.21 H new ATOM 0 HH22 ARG A 68 -9.557 -4.250 -3.042 1.00 53.21 H new ATOM 1037 N ARG A 69 -2.176 -1.352 -2.499 1.00 73.03 N ATOM 1038 CA ARG A 69 -1.080 -0.438 -2.227 1.00 11.20 C ATOM 1039 C ARG A 69 -1.612 0.935 -1.863 1.00 51.22 C ATOM 1040 O ARG A 69 -2.743 1.283 -2.204 1.00 25.44 O ATOM 1041 CB ARG A 69 -0.139 -0.342 -3.431 1.00 41.34 C ATOM 1042 CG ARG A 69 -0.847 -0.046 -4.737 1.00 32.21 C ATOM 1043 CD ARG A 69 0.138 0.096 -5.880 1.00 14.32 C ATOM 1044 NE ARG A 69 -0.535 0.193 -7.171 1.00 24.12 N ATOM 1045 CZ ARG A 69 0.098 0.229 -8.340 1.00 63.35 C ATOM 1046 NH1 ARG A 69 1.426 0.291 -8.380 1.00 54.21 N ATOM 1047 NH2 ARG A 69 -0.597 0.223 -9.470 1.00 4.13 N ATOM 0 H ARG A 69 -2.804 -1.051 -3.244 1.00 73.03 H new ATOM 0 HA ARG A 69 -0.514 -0.829 -1.381 1.00 11.20 H new ATOM 0 HB2 ARG A 69 0.598 0.438 -3.243 1.00 41.34 H new ATOM 0 HB3 ARG A 69 0.408 -1.280 -3.529 1.00 41.34 H new ATOM 0 HG2 ARG A 69 -1.552 -0.847 -4.960 1.00 32.21 H new ATOM 0 HG3 ARG A 69 -1.427 0.872 -4.638 1.00 32.21 H new ATOM 0 HD2 ARG A 69 0.751 0.984 -5.723 1.00 14.32 H new ATOM 0 HD3 ARG A 69 0.813 -0.760 -5.886 1.00 14.32 H new ATOM 0 HE ARG A 69 -1.554 0.236 -7.177 1.00 24.12 H new ATOM 0 HH11 ARG A 69 1.962 0.311 -7.512 1.00 54.21 H new ATOM 0 HH12 ARG A 69 1.908 0.318 -9.278 1.00 54.21 H new ATOM 0 HH21 ARG A 69 -1.616 0.191 -9.442 1.00 4.13 H new ATOM 0 HH22 ARG A 69 -0.112 0.251 -10.367 1.00 4.13 H new ATOM 1061 N VAL A 70 -0.793 1.704 -1.166 1.00 41.13 N ATOM 1062 CA VAL A 70 -1.178 3.029 -0.726 1.00 30.12 C ATOM 1063 C VAL A 70 -0.357 4.086 -1.447 1.00 54.13 C ATOM 1064 O VAL A 70 0.868 4.133 -1.317 1.00 41.20 O ATOM 1065 CB VAL A 70 -0.988 3.203 0.795 1.00 42.23 C ATOM 1066 CG1 VAL A 70 -1.555 4.536 1.256 1.00 60.15 C ATOM 1067 CG2 VAL A 70 -1.630 2.055 1.560 1.00 62.21 C ATOM 0 H VAL A 70 0.150 1.428 -0.892 1.00 41.13 H new ATOM 0 HA VAL A 70 -2.235 3.151 -0.963 1.00 30.12 H new ATOM 0 HB VAL A 70 0.082 3.192 1.005 1.00 42.23 H new ATOM 0 HG11 VAL A 70 -1.411 4.640 2.331 1.00 60.15 H new ATOM 0 HG12 VAL A 70 -1.041 5.348 0.741 1.00 60.15 H new ATOM 0 HG13 VAL A 70 -2.620 4.577 1.026 1.00 60.15 H new ATOM 0 HG21 VAL A 70 -1.481 2.202 2.630 1.00 62.21 H new ATOM 0 HG22 VAL A 70 -2.698 2.025 1.343 1.00 62.21 H new ATOM 0 HG23 VAL A 70 -1.171 1.114 1.256 1.00 62.21 H new ATOM 1077 N LEU A 71 -1.029 4.909 -2.228 1.00 2.13 N ATOM 1078 CA LEU A 71 -0.370 6.011 -2.906 1.00 12.03 C ATOM 1079 C LEU A 71 -0.647 7.318 -2.180 1.00 45.42 C ATOM 1080 O LEU A 71 -1.796 7.638 -1.871 1.00 62.42 O ATOM 1081 CB LEU A 71 -0.820 6.124 -4.368 1.00 60.35 C ATOM 1082 CG LEU A 71 -0.238 5.080 -5.331 1.00 63.04 C ATOM 1083 CD1 LEU A 71 -0.758 3.687 -5.016 1.00 63.34 C ATOM 1084 CD2 LEU A 71 -0.547 5.450 -6.774 1.00 24.05 C ATOM 0 H LEU A 71 -2.030 4.837 -2.409 1.00 2.13 H new ATOM 0 HA LEU A 71 0.701 5.810 -2.896 1.00 12.03 H new ATOM 0 HB2 LEU A 71 -1.907 6.053 -4.400 1.00 60.35 H new ATOM 0 HB3 LEU A 71 -0.554 7.116 -4.734 1.00 60.35 H new ATOM 0 HG LEU A 71 0.844 5.072 -5.198 1.00 63.04 H new ATOM 0 HD11 LEU A 71 -0.327 2.971 -5.716 1.00 63.34 H new ATOM 0 HD12 LEU A 71 -0.476 3.415 -3.999 1.00 63.34 H new ATOM 0 HD13 LEU A 71 -1.844 3.675 -5.107 1.00 63.34 H new ATOM 0 HD21 LEU A 71 -0.126 4.698 -7.441 1.00 24.05 H new ATOM 0 HD22 LEU A 71 -1.627 5.496 -6.915 1.00 24.05 H new ATOM 0 HD23 LEU A 71 -0.110 6.422 -7.002 1.00 24.05 H new ATOM 1096 N VAL A 72 0.416 8.053 -1.902 1.00 30.12 N ATOM 1097 CA VAL A 72 0.318 9.352 -1.253 1.00 40.52 C ATOM 1098 C VAL A 72 0.650 10.448 -2.254 1.00 3.22 C ATOM 1099 O VAL A 72 0.830 10.169 -3.436 1.00 35.34 O ATOM 1100 CB VAL A 72 1.265 9.461 -0.039 1.00 1.45 C ATOM 1101 CG1 VAL A 72 0.857 8.484 1.051 1.00 15.30 C ATOM 1102 CG2 VAL A 72 2.712 9.232 -0.459 1.00 52.23 C ATOM 0 H VAL A 72 1.371 7.768 -2.119 1.00 30.12 H new ATOM 0 HA VAL A 72 -0.704 9.467 -0.892 1.00 40.52 H new ATOM 0 HB VAL A 72 1.186 10.471 0.364 1.00 1.45 H new ATOM 0 HG11 VAL A 72 1.538 8.578 1.897 1.00 15.30 H new ATOM 0 HG12 VAL A 72 -0.159 8.706 1.377 1.00 15.30 H new ATOM 0 HG13 VAL A 72 0.899 7.467 0.662 1.00 15.30 H new ATOM 0 HG21 VAL A 72 3.361 9.314 0.413 1.00 52.23 H new ATOM 0 HG22 VAL A 72 2.812 8.237 -0.894 1.00 52.23 H new ATOM 0 HG23 VAL A 72 3.000 9.981 -1.197 1.00 52.23 H new ATOM 1112 N HIS A 73 0.734 11.686 -1.798 1.00 41.14 N ATOM 1113 CA HIS A 73 1.040 12.790 -2.692 1.00 63.41 C ATOM 1114 C HIS A 73 2.524 13.134 -2.632 1.00 12.11 C ATOM 1115 O HIS A 73 3.142 13.037 -1.574 1.00 12.25 O ATOM 1116 CB HIS A 73 0.183 14.010 -2.353 1.00 1.24 C ATOM 1117 CG HIS A 73 -1.270 13.815 -2.659 1.00 64.42 C ATOM 1118 ND1 HIS A 73 -1.895 14.380 -3.748 1.00 74.02 N ATOM 1119 CD2 HIS A 73 -2.222 13.105 -2.011 1.00 15.11 C ATOM 1120 CE1 HIS A 73 -3.165 14.028 -3.754 1.00 53.31 C ATOM 1121 NE2 HIS A 73 -3.388 13.251 -2.713 1.00 53.22 N ATOM 0 H HIS A 73 0.596 11.951 -0.823 1.00 41.14 H new ATOM 0 HA HIS A 73 0.805 12.483 -3.711 1.00 63.41 H new ATOM 0 HB2 HIS A 73 0.296 14.242 -1.294 1.00 1.24 H new ATOM 0 HB3 HIS A 73 0.552 14.871 -2.910 1.00 1.24 H new ATOM 0 HD2 HIS A 73 -2.087 12.530 -1.107 1.00 15.11 H new ATOM 0 HE1 HIS A 73 -3.899 14.326 -4.488 1.00 53.31 H new ATOM 0 HE2 HIS A 73 -4.284 12.827 -2.470 1.00 53.22 H new ATOM 1130 N GLU A 74 3.073 13.506 -3.787 1.00 45.54 N ATOM 1131 CA GLU A 74 4.497 13.829 -3.949 1.00 11.43 C ATOM 1132 C GLU A 74 5.098 14.626 -2.793 1.00 0.03 C ATOM 1133 O GLU A 74 6.096 14.216 -2.204 1.00 53.21 O ATOM 1134 CB GLU A 74 4.687 14.608 -5.251 1.00 31.13 C ATOM 1135 CG GLU A 74 3.600 15.648 -5.498 1.00 54.43 C ATOM 1136 CD GLU A 74 3.757 16.368 -6.819 1.00 14.44 C ATOM 1137 OE1 GLU A 74 3.503 15.757 -7.872 1.00 1.32 O ATOM 1138 OE2 GLU A 74 4.103 17.565 -6.810 1.00 31.11 O ATOM 0 H GLU A 74 2.537 13.594 -4.651 1.00 45.54 H new ATOM 0 HA GLU A 74 5.027 12.877 -3.967 1.00 11.43 H new ATOM 0 HB2 GLU A 74 5.657 15.105 -5.230 1.00 31.13 H new ATOM 0 HB3 GLU A 74 4.706 13.907 -6.086 1.00 31.13 H new ATOM 0 HG2 GLU A 74 2.626 15.160 -5.470 1.00 54.43 H new ATOM 0 HG3 GLU A 74 3.614 16.378 -4.689 1.00 54.43 H new ATOM 1145 N ASP A 75 4.497 15.753 -2.463 1.00 23.12 N ATOM 1146 CA ASP A 75 5.100 16.669 -1.510 1.00 3.40 C ATOM 1147 C ASP A 75 4.847 16.217 -0.074 1.00 71.13 C ATOM 1148 O ASP A 75 5.567 16.600 0.849 1.00 64.32 O ATOM 1149 CB ASP A 75 4.558 18.080 -1.730 1.00 73.45 C ATOM 1150 CG ASP A 75 5.215 19.114 -0.839 1.00 4.14 C ATOM 1151 OD1 ASP A 75 6.347 19.539 -1.151 1.00 60.22 O ATOM 1152 OD2 ASP A 75 4.588 19.534 0.156 1.00 1.22 O ATOM 0 H ASP A 75 3.598 16.056 -2.837 1.00 23.12 H new ATOM 0 HA ASP A 75 6.178 16.672 -1.672 1.00 3.40 H new ATOM 0 HB2 ASP A 75 4.706 18.361 -2.773 1.00 73.45 H new ATOM 0 HB3 ASP A 75 3.483 18.083 -1.548 1.00 73.45 H new ATOM 1157 N ASP A 76 3.848 15.363 0.095 1.00 53.53 N ATOM 1158 CA ASP A 76 3.450 14.885 1.413 1.00 12.23 C ATOM 1159 C ASP A 76 4.327 13.721 1.853 1.00 75.43 C ATOM 1160 O ASP A 76 4.114 13.144 2.922 1.00 65.21 O ATOM 1161 CB ASP A 76 1.981 14.449 1.417 1.00 4.12 C ATOM 1162 CG ASP A 76 1.015 15.614 1.327 1.00 31.03 C ATOM 1163 OD1 ASP A 76 0.798 16.128 0.207 1.00 2.31 O ATOM 1164 OD2 ASP A 76 0.461 16.016 2.373 1.00 11.43 O ATOM 0 H ASP A 76 3.293 14.983 -0.672 1.00 53.53 H new ATOM 0 HA ASP A 76 3.575 15.710 2.114 1.00 12.23 H new ATOM 0 HB2 ASP A 76 1.806 13.774 0.579 1.00 4.12 H new ATOM 0 HB3 ASP A 76 1.778 13.886 2.328 1.00 4.12 H new ATOM 1169 N LEU A 77 5.307 13.370 1.022 1.00 42.32 N ATOM 1170 CA LEU A 77 6.261 12.317 1.354 1.00 54.24 C ATOM 1171 C LEU A 77 6.937 12.605 2.688 1.00 13.51 C ATOM 1172 O LEU A 77 7.061 11.718 3.532 1.00 41.52 O ATOM 1173 CB LEU A 77 7.320 12.171 0.256 1.00 31.02 C ATOM 1174 CG LEU A 77 7.124 10.993 -0.704 1.00 52.10 C ATOM 1175 CD1 LEU A 77 7.216 9.671 0.044 1.00 53.42 C ATOM 1176 CD2 LEU A 77 5.793 11.094 -1.435 1.00 51.03 C ATOM 0 H LEU A 77 5.460 13.802 0.111 1.00 42.32 H new ATOM 0 HA LEU A 77 5.709 11.381 1.432 1.00 54.24 H new ATOM 0 HB2 LEU A 77 7.341 13.092 -0.327 1.00 31.02 H new ATOM 0 HB3 LEU A 77 8.297 12.071 0.730 1.00 31.02 H new ATOM 0 HG LEU A 77 7.922 11.032 -1.446 1.00 52.10 H new ATOM 0 HD11 LEU A 77 7.074 8.847 -0.655 1.00 53.42 H new ATOM 0 HD12 LEU A 77 8.197 9.585 0.512 1.00 53.42 H new ATOM 0 HD13 LEU A 77 6.443 9.633 0.812 1.00 53.42 H new ATOM 0 HD21 LEU A 77 5.683 10.244 -2.109 1.00 51.03 H new ATOM 0 HD22 LEU A 77 4.979 11.091 -0.710 1.00 51.03 H new ATOM 0 HD23 LEU A 77 5.763 12.019 -2.010 1.00 51.03 H new ATOM 1188 N ALA A 78 7.350 13.855 2.874 1.00 12.43 N ATOM 1189 CA ALA A 78 8.006 14.277 4.108 1.00 35.01 C ATOM 1190 C ALA A 78 7.115 14.021 5.322 1.00 41.44 C ATOM 1191 O ALA A 78 7.586 13.551 6.361 1.00 33.23 O ATOM 1192 CB ALA A 78 8.383 15.749 4.033 1.00 1.21 C ATOM 0 H ALA A 78 7.241 14.597 2.182 1.00 12.43 H new ATOM 0 HA ALA A 78 8.914 13.686 4.224 1.00 35.01 H new ATOM 0 HB1 ALA A 78 8.871 16.047 4.961 1.00 1.21 H new ATOM 0 HB2 ALA A 78 9.064 15.908 3.197 1.00 1.21 H new ATOM 0 HB3 ALA A 78 7.484 16.348 3.887 1.00 1.21 H new ATOM 1198 N GLY A 79 5.824 14.306 5.174 1.00 13.33 N ATOM 1199 CA GLY A 79 4.893 14.112 6.270 1.00 4.23 C ATOM 1200 C GLY A 79 4.682 12.646 6.577 1.00 31.34 C ATOM 1201 O GLY A 79 4.746 12.226 7.736 1.00 41.31 O ATOM 0 H GLY A 79 5.407 14.667 4.316 1.00 13.33 H new ATOM 0 HA2 GLY A 79 5.268 14.619 7.159 1.00 4.23 H new ATOM 0 HA3 GLY A 79 3.937 14.572 6.020 1.00 4.23 H new ATOM 1205 N ALA A 80 4.462 11.865 5.528 1.00 1.23 N ATOM 1206 CA ALA A 80 4.220 10.436 5.666 1.00 41.14 C ATOM 1207 C ALA A 80 5.430 9.716 6.255 1.00 21.23 C ATOM 1208 O ALA A 80 5.283 8.826 7.094 1.00 73.22 O ATOM 1209 CB ALA A 80 3.860 9.838 4.318 1.00 30.41 C ATOM 0 H ALA A 80 4.446 12.201 4.565 1.00 1.23 H new ATOM 0 HA ALA A 80 3.386 10.302 6.355 1.00 41.14 H new ATOM 0 HB1 ALA A 80 3.681 8.769 4.431 1.00 30.41 H new ATOM 0 HB2 ALA A 80 2.960 10.319 3.935 1.00 30.41 H new ATOM 0 HB3 ALA A 80 4.681 9.997 3.619 1.00 30.41 H new ATOM 1215 N ARG A 81 6.620 10.119 5.815 1.00 64.41 N ATOM 1216 CA ARG A 81 7.863 9.509 6.271 1.00 23.50 C ATOM 1217 C ARG A 81 8.019 9.630 7.784 1.00 14.35 C ATOM 1218 O ARG A 81 8.300 8.640 8.461 1.00 21.55 O ATOM 1219 CB ARG A 81 9.062 10.137 5.552 1.00 44.30 C ATOM 1220 CG ARG A 81 9.256 9.606 4.139 1.00 12.34 C ATOM 1221 CD ARG A 81 10.239 10.447 3.334 1.00 21.32 C ATOM 1222 NE ARG A 81 11.549 10.559 3.976 1.00 23.22 N ATOM 1223 CZ ARG A 81 12.619 9.852 3.612 1.00 54.20 C ATOM 1224 NH1 ARG A 81 12.528 8.950 2.647 1.00 15.12 N ATOM 1225 NH2 ARG A 81 13.785 10.064 4.207 1.00 62.22 N ATOM 0 H ARG A 81 6.748 10.871 5.138 1.00 64.41 H new ATOM 0 HA ARG A 81 7.826 8.448 6.026 1.00 23.50 H new ATOM 0 HB2 ARG A 81 8.929 11.218 5.512 1.00 44.30 H new ATOM 0 HB3 ARG A 81 9.965 9.948 6.132 1.00 44.30 H new ATOM 0 HG2 ARG A 81 9.615 8.578 4.186 1.00 12.34 H new ATOM 0 HG3 ARG A 81 8.294 9.585 3.626 1.00 12.34 H new ATOM 0 HD2 ARG A 81 10.361 10.007 2.344 1.00 21.32 H new ATOM 0 HD3 ARG A 81 9.824 11.444 3.190 1.00 21.32 H new ATOM 0 HE ARG A 81 11.650 11.218 4.748 1.00 23.22 H new ATOM 0 HH11 ARG A 81 11.636 8.793 2.178 1.00 15.12 H new ATOM 0 HH12 ARG A 81 13.350 8.412 2.373 1.00 15.12 H new ATOM 0 HH21 ARG A 81 13.862 10.767 4.942 1.00 62.22 H new ATOM 0 HH22 ARG A 81 14.605 9.524 3.930 1.00 62.22 H new ATOM 1239 N ARG A 82 7.816 10.829 8.322 1.00 42.35 N ATOM 1240 CA ARG A 82 7.931 11.031 9.765 1.00 1.31 C ATOM 1241 C ARG A 82 6.857 10.237 10.505 1.00 44.42 C ATOM 1242 O ARG A 82 7.139 9.556 11.494 1.00 62.05 O ATOM 1243 CB ARG A 82 7.801 12.510 10.138 1.00 31.42 C ATOM 1244 CG ARG A 82 7.999 12.753 11.628 1.00 61.13 C ATOM 1245 CD ARG A 82 7.516 14.126 12.063 1.00 30.34 C ATOM 1246 NE ARG A 82 7.670 14.299 13.506 1.00 4.15 N ATOM 1247 CZ ARG A 82 6.670 14.552 14.349 1.00 32.43 C ATOM 1248 NH1 ARG A 82 5.437 14.777 13.897 1.00 3.12 N ATOM 1249 NH2 ARG A 82 6.912 14.597 15.652 1.00 15.03 N ATOM 0 H ARG A 82 7.574 11.665 7.791 1.00 42.35 H new ATOM 0 HA ARG A 82 8.920 10.680 10.060 1.00 1.31 H new ATOM 0 HB2 ARG A 82 8.535 13.089 9.578 1.00 31.42 H new ATOM 0 HB3 ARG A 82 6.816 12.871 9.841 1.00 31.42 H new ATOM 0 HG2 ARG A 82 7.465 11.988 12.192 1.00 61.13 H new ATOM 0 HG3 ARG A 82 9.056 12.649 11.872 1.00 61.13 H new ATOM 0 HD2 ARG A 82 8.079 14.897 11.538 1.00 30.34 H new ATOM 0 HD3 ARG A 82 6.469 14.252 11.787 1.00 30.34 H new ATOM 0 HE ARG A 82 8.610 14.220 13.895 1.00 4.15 H new ATOM 0 HH11 ARG A 82 5.250 14.757 12.895 1.00 3.12 H new ATOM 0 HH12 ARG A 82 4.680 14.969 14.553 1.00 3.12 H new ATOM 0 HH21 ARG A 82 7.857 14.439 16.001 1.00 15.03 H new ATOM 0 HH22 ARG A 82 6.153 14.790 16.305 1.00 15.03 H new ATOM 1263 N LEU A 83 5.633 10.327 9.996 1.00 22.41 N ATOM 1264 CA LEU A 83 4.468 9.716 10.624 1.00 2.44 C ATOM 1265 C LEU A 83 4.662 8.217 10.842 1.00 65.52 C ATOM 1266 O LEU A 83 4.561 7.724 11.968 1.00 34.41 O ATOM 1267 CB LEU A 83 3.239 9.966 9.744 1.00 60.33 C ATOM 1268 CG LEU A 83 1.919 9.426 10.284 1.00 74.12 C ATOM 1269 CD1 LEU A 83 1.554 10.110 11.591 1.00 61.44 C ATOM 1270 CD2 LEU A 83 0.820 9.625 9.256 1.00 62.33 C ATOM 0 H LEU A 83 5.421 10.828 9.133 1.00 22.41 H new ATOM 0 HA LEU A 83 4.327 10.170 11.605 1.00 2.44 H new ATOM 0 HB2 LEU A 83 3.136 11.040 9.592 1.00 60.33 H new ATOM 0 HB3 LEU A 83 3.419 9.522 8.765 1.00 60.33 H new ATOM 0 HG LEU A 83 2.031 8.360 10.479 1.00 74.12 H new ATOM 0 HD11 LEU A 83 0.609 9.710 11.959 1.00 61.44 H new ATOM 0 HD12 LEU A 83 2.337 9.928 12.328 1.00 61.44 H new ATOM 0 HD13 LEU A 83 1.454 11.183 11.425 1.00 61.44 H new ATOM 0 HD21 LEU A 83 -0.120 9.237 9.648 1.00 62.33 H new ATOM 0 HD22 LEU A 83 0.712 10.688 9.040 1.00 62.33 H new ATOM 0 HD23 LEU A 83 1.078 9.093 8.340 1.00 62.33 H new ATOM 1282 N LEU A 84 4.966 7.502 9.766 1.00 1.12 N ATOM 1283 CA LEU A 84 5.103 6.049 9.822 1.00 45.14 C ATOM 1284 C LEU A 84 6.341 5.627 10.613 1.00 40.22 C ATOM 1285 O LEU A 84 6.338 4.582 11.269 1.00 15.15 O ATOM 1286 CB LEU A 84 5.155 5.468 8.408 1.00 5.33 C ATOM 1287 CG LEU A 84 3.974 5.845 7.512 1.00 71.13 C ATOM 1288 CD1 LEU A 84 4.118 5.214 6.138 1.00 3.31 C ATOM 1289 CD2 LEU A 84 2.662 5.430 8.155 1.00 32.24 C ATOM 0 H LEU A 84 5.123 7.904 8.842 1.00 1.12 H new ATOM 0 HA LEU A 84 4.229 5.654 10.341 1.00 45.14 H new ATOM 0 HB2 LEU A 84 6.076 5.799 7.929 1.00 5.33 H new ATOM 0 HB3 LEU A 84 5.206 4.382 8.479 1.00 5.33 H new ATOM 0 HG LEU A 84 3.970 6.928 7.391 1.00 71.13 H new ATOM 0 HD11 LEU A 84 3.267 5.495 5.517 1.00 3.31 H new ATOM 0 HD12 LEU A 84 5.039 5.564 5.672 1.00 3.31 H new ATOM 0 HD13 LEU A 84 4.151 4.129 6.238 1.00 3.31 H new ATOM 0 HD21 LEU A 84 1.834 5.707 7.503 1.00 32.24 H new ATOM 0 HD22 LEU A 84 2.658 4.351 8.309 1.00 32.24 H new ATOM 0 HD23 LEU A 84 2.552 5.934 9.115 1.00 32.24 H new ATOM 1301 N THR A 85 7.392 6.439 10.561 1.00 10.23 N ATOM 1302 CA THR A 85 8.627 6.119 11.263 1.00 70.11 C ATOM 1303 C THR A 85 8.465 6.289 12.772 1.00 41.51 C ATOM 1304 O THR A 85 8.873 5.422 13.549 1.00 14.34 O ATOM 1305 CB THR A 85 9.796 6.992 10.767 1.00 65.23 C ATOM 1306 OG1 THR A 85 9.959 6.823 9.356 1.00 13.23 O ATOM 1307 CG2 THR A 85 11.094 6.627 11.472 1.00 62.51 C ATOM 0 H THR A 85 7.413 7.318 10.043 1.00 10.23 H new ATOM 0 HA THR A 85 8.855 5.075 11.049 1.00 70.11 H new ATOM 0 HB THR A 85 9.561 8.032 10.993 1.00 65.23 H new ATOM 0 HG1 THR A 85 9.234 7.284 8.885 1.00 13.23 H new ATOM 0 HG21 THR A 85 11.900 7.260 11.101 1.00 62.51 H new ATOM 0 HG22 THR A 85 10.980 6.777 12.546 1.00 62.51 H new ATOM 0 HG23 THR A 85 11.333 5.582 11.275 1.00 62.51 H new ATOM 1315 N ASP A 86 7.844 7.389 13.188 1.00 61.21 N ATOM 1316 CA ASP A 86 7.667 7.676 14.609 1.00 63.32 C ATOM 1317 C ASP A 86 6.667 6.705 15.231 1.00 32.42 C ATOM 1318 O ASP A 86 6.712 6.429 16.430 1.00 53.35 O ATOM 1319 CB ASP A 86 7.205 9.122 14.806 1.00 21.02 C ATOM 1320 CG ASP A 86 7.185 9.543 16.263 1.00 45.45 C ATOM 1321 OD1 ASP A 86 8.272 9.673 16.863 1.00 1.41 O ATOM 1322 OD2 ASP A 86 6.085 9.753 16.816 1.00 64.00 O ATOM 0 H ASP A 86 7.455 8.095 12.563 1.00 61.21 H new ATOM 0 HA ASP A 86 8.626 7.547 15.110 1.00 63.32 H new ATOM 0 HB2 ASP A 86 7.865 9.788 14.250 1.00 21.02 H new ATOM 0 HB3 ASP A 86 6.206 9.239 14.386 1.00 21.02 H new ATOM 1327 N ALA A 87 5.775 6.177 14.400 1.00 63.31 N ATOM 1328 CA ALA A 87 4.799 5.188 14.846 1.00 72.11 C ATOM 1329 C ALA A 87 5.417 3.793 14.890 1.00 10.33 C ATOM 1330 O ALA A 87 4.819 2.857 15.416 1.00 23.43 O ATOM 1331 CB ALA A 87 3.576 5.205 13.936 1.00 52.33 C ATOM 0 H ALA A 87 5.707 6.418 13.411 1.00 63.31 H new ATOM 0 HA ALA A 87 4.485 5.448 15.857 1.00 72.11 H new ATOM 0 HB1 ALA A 87 2.856 4.462 14.280 1.00 52.33 H new ATOM 0 HB2 ALA A 87 3.118 6.194 13.961 1.00 52.33 H new ATOM 0 HB3 ALA A 87 3.879 4.971 12.915 1.00 52.33 H new ATOM 1337 N GLY A 88 6.617 3.663 14.330 1.00 21.53 N ATOM 1338 CA GLY A 88 7.321 2.392 14.344 1.00 2.53 C ATOM 1339 C GLY A 88 6.716 1.377 13.395 1.00 21.11 C ATOM 1340 O GLY A 88 6.784 0.171 13.642 1.00 34.10 O ATOM 0 H GLY A 88 7.117 4.420 13.864 1.00 21.53 H new ATOM 0 HA2 GLY A 88 8.365 2.557 14.076 1.00 2.53 H new ATOM 0 HA3 GLY A 88 7.312 1.987 15.356 1.00 2.53 H new ATOM 1344 N LEU A 89 6.131 1.863 12.307 1.00 15.31 N ATOM 1345 CA LEU A 89 5.489 0.991 11.330 1.00 53.22 C ATOM 1346 C LEU A 89 6.163 1.105 9.968 1.00 51.22 C ATOM 1347 O LEU A 89 5.603 0.706 8.947 1.00 12.31 O ATOM 1348 CB LEU A 89 4.000 1.324 11.211 1.00 11.43 C ATOM 1349 CG LEU A 89 3.172 1.040 12.466 1.00 24.32 C ATOM 1350 CD1 LEU A 89 1.722 1.430 12.248 1.00 72.34 C ATOM 1351 CD2 LEU A 89 3.277 -0.428 12.849 1.00 21.13 C ATOM 0 H LEU A 89 6.088 2.856 12.079 1.00 15.31 H new ATOM 0 HA LEU A 89 5.593 -0.037 11.678 1.00 53.22 H new ATOM 0 HB2 LEU A 89 3.898 2.379 10.958 1.00 11.43 H new ATOM 0 HB3 LEU A 89 3.581 0.755 10.381 1.00 11.43 H new ATOM 0 HG LEU A 89 3.569 1.641 13.284 1.00 24.32 H new ATOM 0 HD11 LEU A 89 1.149 1.221 13.151 1.00 72.34 H new ATOM 0 HD12 LEU A 89 1.662 2.494 12.019 1.00 72.34 H new ATOM 0 HD13 LEU A 89 1.312 0.856 11.417 1.00 72.34 H new ATOM 0 HD21 LEU A 89 2.683 -0.614 13.744 1.00 21.13 H new ATOM 0 HD22 LEU A 89 2.905 -1.045 12.031 1.00 21.13 H new ATOM 0 HD23 LEU A 89 4.319 -0.679 13.047 1.00 21.13 H new ATOM 1363 N ALA A 90 7.378 1.640 9.957 1.00 60.44 N ATOM 1364 CA ALA A 90 8.140 1.772 8.724 1.00 20.31 C ATOM 1365 C ALA A 90 8.749 0.429 8.332 1.00 52.20 C ATOM 1366 O ALA A 90 9.885 0.117 8.695 1.00 22.13 O ATOM 1367 CB ALA A 90 9.218 2.837 8.879 1.00 41.32 C ATOM 0 H ALA A 90 7.855 1.989 10.788 1.00 60.44 H new ATOM 0 HA ALA A 90 7.467 2.085 7.926 1.00 20.31 H new ATOM 0 HB1 ALA A 90 9.780 2.924 7.949 1.00 41.32 H new ATOM 0 HB2 ALA A 90 8.753 3.794 9.113 1.00 41.32 H new ATOM 0 HB3 ALA A 90 9.894 2.555 9.686 1.00 41.32 H new ATOM 1373 N HIS A 91 7.965 -0.378 7.630 1.00 62.33 N ATOM 1374 CA HIS A 91 8.405 -1.705 7.212 1.00 63.33 C ATOM 1375 C HIS A 91 7.910 -2.017 5.806 1.00 12.14 C ATOM 1376 O HIS A 91 8.632 -2.597 5.002 1.00 71.11 O ATOM 1377 CB HIS A 91 7.889 -2.766 8.192 1.00 24.01 C ATOM 1378 CG HIS A 91 8.438 -4.144 7.956 1.00 20.55 C ATOM 1379 ND1 HIS A 91 7.873 -5.047 7.083 1.00 31.31 N ATOM 1380 CD2 HIS A 91 9.501 -4.773 8.506 1.00 3.11 C ATOM 1381 CE1 HIS A 91 8.563 -6.170 7.106 1.00 65.22 C ATOM 1382 NE2 HIS A 91 9.557 -6.034 7.965 1.00 32.15 N ATOM 0 H HIS A 91 7.018 -0.137 7.337 1.00 62.33 H new ATOM 0 HA HIS A 91 9.495 -1.719 7.210 1.00 63.33 H new ATOM 0 HB2 HIS A 91 8.138 -2.457 9.207 1.00 24.01 H new ATOM 0 HB3 HIS A 91 6.802 -2.805 8.128 1.00 24.01 H new ATOM 0 HD1 HIS A 91 7.049 -4.874 6.508 1.00 31.31 H new ATOM 0 HD2 HIS A 91 10.181 -4.360 9.236 1.00 3.11 H new ATOM 0 HE1 HIS A 91 8.351 -7.053 6.521 1.00 65.22 H new ATOM 1391 N GLU A 92 6.673 -1.634 5.516 1.00 41.24 N ATOM 1392 CA GLU A 92 6.070 -1.935 4.219 1.00 54.00 C ATOM 1393 C GLU A 92 6.376 -0.843 3.197 1.00 63.43 C ATOM 1394 O GLU A 92 5.968 -0.937 2.039 1.00 43.41 O ATOM 1395 CB GLU A 92 4.554 -2.100 4.365 1.00 2.13 C ATOM 1396 CG GLU A 92 4.146 -3.123 5.413 1.00 43.03 C ATOM 1397 CD GLU A 92 4.678 -4.512 5.125 1.00 0.53 C ATOM 1398 OE1 GLU A 92 5.819 -4.806 5.534 1.00 20.40 O ATOM 1399 OE2 GLU A 92 3.956 -5.316 4.500 1.00 73.32 O ATOM 0 H GLU A 92 6.069 -1.117 6.155 1.00 41.24 H new ATOM 0 HA GLU A 92 6.502 -2.869 3.859 1.00 54.00 H new ATOM 0 HB2 GLU A 92 4.116 -1.136 4.622 1.00 2.13 H new ATOM 0 HB3 GLU A 92 4.135 -2.393 3.402 1.00 2.13 H new ATOM 0 HG2 GLU A 92 4.506 -2.798 6.389 1.00 43.03 H new ATOM 0 HG3 GLU A 92 3.058 -3.162 5.471 1.00 43.03 H new ATOM 1406 N LEU A 93 7.094 0.190 3.632 1.00 64.31 N ATOM 1407 CA LEU A 93 7.441 1.307 2.761 1.00 40.34 C ATOM 1408 C LEU A 93 8.380 0.835 1.657 1.00 54.43 C ATOM 1409 O LEU A 93 9.485 0.373 1.927 1.00 45.50 O ATOM 1410 CB LEU A 93 8.098 2.447 3.557 1.00 14.01 C ATOM 1411 CG LEU A 93 7.178 3.232 4.506 1.00 52.02 C ATOM 1412 CD1 LEU A 93 6.724 2.379 5.678 1.00 52.34 C ATOM 1413 CD2 LEU A 93 7.879 4.488 5.005 1.00 53.05 C ATOM 0 H LEU A 93 7.447 0.275 4.585 1.00 64.31 H new ATOM 0 HA LEU A 93 6.522 1.688 2.315 1.00 40.34 H new ATOM 0 HB2 LEU A 93 8.917 2.028 4.142 1.00 14.01 H new ATOM 0 HB3 LEU A 93 8.539 3.149 2.849 1.00 14.01 H new ATOM 0 HG LEU A 93 6.290 3.521 3.943 1.00 52.02 H new ATOM 0 HD11 LEU A 93 6.076 2.968 6.327 1.00 52.34 H new ATOM 0 HD12 LEU A 93 6.176 1.513 5.307 1.00 52.34 H new ATOM 0 HD13 LEU A 93 7.594 2.044 6.242 1.00 52.34 H new ATOM 0 HD21 LEU A 93 7.215 5.033 5.676 1.00 53.05 H new ATOM 0 HD22 LEU A 93 8.787 4.210 5.540 1.00 53.05 H new ATOM 0 HD23 LEU A 93 8.138 5.122 4.157 1.00 53.05 H new ATOM 1425 N ARG A 94 7.943 0.957 0.413 1.00 70.34 N ATOM 1426 CA ARG A 94 8.692 0.388 -0.697 1.00 45.23 C ATOM 1427 C ARG A 94 9.190 1.469 -1.651 1.00 3.03 C ATOM 1428 O ARG A 94 9.556 1.184 -2.791 1.00 13.03 O ATOM 1429 CB ARG A 94 7.828 -0.624 -1.449 1.00 24.33 C ATOM 1430 CG ARG A 94 8.506 -1.972 -1.660 1.00 24.25 C ATOM 1431 CD ARG A 94 9.804 -1.837 -2.441 1.00 24.21 C ATOM 1432 NE ARG A 94 10.472 -3.121 -2.632 1.00 11.21 N ATOM 1433 CZ ARG A 94 11.570 -3.287 -3.371 1.00 40.25 C ATOM 1434 NH1 ARG A 94 12.139 -2.251 -3.976 1.00 52.24 N ATOM 1435 NH2 ARG A 94 12.097 -4.494 -3.507 1.00 73.24 N ATOM 0 H ARG A 94 7.084 1.439 0.148 1.00 70.34 H new ATOM 0 HA ARG A 94 9.565 -0.119 -0.286 1.00 45.23 H new ATOM 0 HB2 ARG A 94 6.900 -0.776 -0.898 1.00 24.33 H new ATOM 0 HB3 ARG A 94 7.558 -0.207 -2.419 1.00 24.33 H new ATOM 0 HG2 ARG A 94 8.710 -2.431 -0.693 1.00 24.25 H new ATOM 0 HG3 ARG A 94 7.829 -2.640 -2.193 1.00 24.25 H new ATOM 0 HD2 ARG A 94 9.596 -1.390 -3.413 1.00 24.21 H new ATOM 0 HD3 ARG A 94 10.473 -1.157 -1.914 1.00 24.21 H new ATOM 0 HE ARG A 94 10.075 -3.941 -2.173 1.00 11.21 H new ATOM 0 HH11 ARG A 94 11.737 -1.319 -3.878 1.00 52.24 H new ATOM 0 HH12 ARG A 94 12.978 -2.387 -4.539 1.00 52.24 H new ATOM 0 HH21 ARG A 94 11.663 -5.295 -3.047 1.00 73.24 H new ATOM 0 HH22 ARG A 94 12.937 -4.623 -4.072 1.00 73.24 H new