USER MOD reduce.3.24.130724 H: found=0, std=0, add=755, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 755 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 THR OG1 : rot 91:sc= 1.11 USER MOD Set 1.2: A 64 TYR OH : rot -130:sc= 1.02 USER MOD Single : A 1 MET CE :methyl -178:sc= 0 (180deg=-0.00755) USER MOD Single : A 1 MET N :NH3+ 160:sc= 1.07 (180deg=0.483!) USER MOD Single : A 3 LYS NZ :NH3+ -140:sc= 0.703 (180deg=-0.173) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 SER OG : rot -5:sc= 0.677 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 ASN : amide:sc= -0.394 X(o=-0.39,f=-0.13) USER MOD Single : A 34 HIS : no HD1:sc= -0.228 X(o=-0.23,f=0.0032) USER MOD Single : A 38 CYS SG : rot 47:sc= -0.533 USER MOD Single : A 39 HIS : no HE2:sc= 0.749 K(o=0.75,f=-2.6!) USER MOD Single : A 41 SER OG : rot 31:sc= 0.54 USER MOD Single : A 43 LYS NZ :NH3+ -145:sc= 1.23 (180deg=-0.254!) USER MOD Single : A 47 SER OG : rot -89:sc= 0.33 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 MET CE :methyl 134:sc= -0.714 (180deg=-1.86) USER MOD Single : A 62 SER OG : rot 49:sc= 1.22 USER MOD Single : A 67 ASN : amide:sc= -0.0999 K(o=-0.1,f=-3.5!) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc=-0.00612 (180deg=-0.00612) USER MOD Single : A 70 LYS NZ :NH3+ -169:sc= -0.0685 (180deg=-0.324) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 THR OG1 : rot -34:sc= 0.475 USER MOD Single : A 81 SER OG : rot 180:sc= 0.0604 USER MOD Single : A 84 THR OG1 : rot -15:sc= 0.879 USER MOD Single : A 86 SER OG : rot -75:sc= -0.0191 USER MOD Single : A 87 LYS NZ :NH3+ -172:sc= -0.028 (180deg=-0.147) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 0.613 -5.335 2.484 1.00 73.34 N1+ ATOM 2 CA MET A 1 0.534 -6.064 1.202 1.00 4.30 C ATOM 3 C MET A 1 0.094 -5.121 0.089 1.00 20.15 C ATOM 4 O MET A 1 0.919 -4.637 -0.684 1.00 62.01 O ATOM 5 CB MET A 1 -0.447 -7.241 1.298 1.00 23.54 C ATOM 6 CG MET A 1 -0.085 -8.281 2.352 1.00 70.30 C ATOM 7 SD MET A 1 -0.229 -7.664 4.044 1.00 33.21 S ATOM 8 CE MET A 1 0.276 -9.112 4.970 1.00 45.42 C ATOM 0 H1 MET A 1 0.576 -6.013 3.272 1.00 73.34 H new ATOM 0 H2 MET A 1 1.506 -4.803 2.526 1.00 73.34 H new ATOM 0 H3 MET A 1 -0.187 -4.675 2.558 1.00 73.34 H new ATOM 0 HA MET A 1 1.525 -6.456 0.975 1.00 4.30 H new ATOM 0 HB2 MET A 1 -1.441 -6.852 1.516 1.00 23.54 H new ATOM 0 HB3 MET A 1 -0.503 -7.731 0.326 1.00 23.54 H new ATOM 0 HG2 MET A 1 -0.733 -9.149 2.233 1.00 70.30 H new ATOM 0 HG3 MET A 1 0.937 -8.620 2.182 1.00 70.30 H new ATOM 0 HE1 MET A 1 0.206 -8.904 6.038 1.00 45.42 H new ATOM 0 HE2 MET A 1 -0.376 -9.949 4.720 1.00 45.42 H new ATOM 0 HE3 MET A 1 1.305 -9.366 4.716 1.00 45.42 H new ATOM 20 N VAL A 2 -1.211 -4.845 0.043 1.00 23.43 N ATOM 21 CA VAL A 2 -1.811 -3.975 -0.971 1.00 60.23 C ATOM 22 C VAL A 2 -1.390 -4.373 -2.391 1.00 2.22 C ATOM 23 O VAL A 2 -0.479 -3.784 -2.978 1.00 3.52 O ATOM 24 CB VAL A 2 -1.479 -2.485 -0.727 1.00 61.21 C ATOM 25 CG1 VAL A 2 -2.245 -1.593 -1.696 1.00 33.14 C ATOM 26 CG2 VAL A 2 -1.795 -2.095 0.708 1.00 14.13 C ATOM 0 H VAL A 2 -1.884 -5.220 0.711 1.00 23.43 H new ATOM 0 HA VAL A 2 -2.889 -4.107 -0.880 1.00 60.23 H new ATOM 0 HB VAL A 2 -0.412 -2.345 -0.900 1.00 61.21 H new ATOM 0 HG11 VAL A 2 -1.995 -0.549 -1.505 1.00 33.14 H new ATOM 0 HG12 VAL A 2 -1.973 -1.850 -2.720 1.00 33.14 H new ATOM 0 HG13 VAL A 2 -3.316 -1.741 -1.557 1.00 33.14 H new ATOM 0 HG21 VAL A 2 -1.555 -1.043 0.860 1.00 14.13 H new ATOM 0 HG22 VAL A 2 -2.855 -2.257 0.904 1.00 14.13 H new ATOM 0 HG23 VAL A 2 -1.202 -2.705 1.390 1.00 14.13 H new ATOM 36 N LYS A 3 -2.041 -5.398 -2.922 1.00 41.30 N ATOM 37 CA LYS A 3 -1.802 -5.840 -4.291 1.00 43.13 C ATOM 38 C LYS A 3 -3.129 -6.175 -4.958 1.00 11.43 C ATOM 39 O LYS A 3 -3.714 -7.228 -4.702 1.00 45.25 O ATOM 40 CB LYS A 3 -0.857 -7.052 -4.323 1.00 1.20 C ATOM 41 CG LYS A 3 0.580 -6.715 -3.949 1.00 3.12 C ATOM 42 CD LYS A 3 1.191 -5.746 -4.948 1.00 24.45 C ATOM 43 CE LYS A 3 2.518 -5.189 -4.463 1.00 31.03 C ATOM 44 NZ LYS A 3 2.370 -4.443 -3.186 1.00 74.14 N1+ ATOM 0 H LYS A 3 -2.744 -5.943 -2.423 1.00 41.30 H new ATOM 0 HA LYS A 3 -1.320 -5.032 -4.841 1.00 43.13 H new ATOM 0 HB2 LYS A 3 -1.233 -7.813 -3.639 1.00 1.20 H new ATOM 0 HB3 LYS A 3 -0.871 -7.487 -5.322 1.00 1.20 H new ATOM 0 HG2 LYS A 3 0.607 -6.278 -2.951 1.00 3.12 H new ATOM 0 HG3 LYS A 3 1.174 -7.628 -3.913 1.00 3.12 H new ATOM 0 HD2 LYS A 3 1.338 -6.253 -5.902 1.00 24.45 H new ATOM 0 HD3 LYS A 3 0.497 -4.925 -5.127 1.00 24.45 H new ATOM 0 HE2 LYS A 3 3.227 -6.006 -4.327 1.00 31.03 H new ATOM 0 HE3 LYS A 3 2.935 -4.529 -5.224 1.00 31.03 H new ATOM 0 HZ1 LYS A 3 2.967 -3.592 -3.210 1.00 74.14 H new ATOM 0 HZ2 LYS A 3 1.376 -4.165 -3.059 1.00 74.14 H new ATOM 0 HZ3 LYS A 3 2.664 -5.049 -2.394 1.00 74.14 H new ATOM 58 N ASP A 4 -3.607 -5.258 -5.788 1.00 14.22 N ATOM 59 CA ASP A 4 -4.922 -5.395 -6.410 1.00 45.12 C ATOM 60 C ASP A 4 -4.808 -5.431 -7.924 1.00 23.31 C ATOM 61 O ASP A 4 -5.243 -6.388 -8.563 1.00 50.32 O ATOM 62 CB ASP A 4 -5.831 -4.240 -5.984 1.00 51.33 C ATOM 63 CG ASP A 4 -7.200 -4.304 -6.635 1.00 72.52 C ATOM 64 OD1 ASP A 4 -8.013 -5.155 -6.228 1.00 22.54 O ATOM 65 OD2 ASP A 4 -7.479 -3.488 -7.537 1.00 11.23 O ATOM 0 H ASP A 4 -3.105 -4.409 -6.048 1.00 14.22 H new ATOM 0 HA ASP A 4 -5.357 -6.337 -6.076 1.00 45.12 H new ATOM 0 HB2 ASP A 4 -5.947 -4.255 -4.900 1.00 51.33 H new ATOM 0 HB3 ASP A 4 -5.355 -3.294 -6.241 1.00 51.33 H new ATOM 70 N GLU A 5 -4.208 -4.384 -8.487 1.00 75.24 N ATOM 71 CA GLU A 5 -4.014 -4.284 -9.927 1.00 25.43 C ATOM 72 C GLU A 5 -3.269 -5.514 -10.439 1.00 3.45 C ATOM 73 O GLU A 5 -3.606 -6.082 -11.478 1.00 25.25 O ATOM 74 CB GLU A 5 -3.243 -3.006 -10.253 1.00 11.12 C ATOM 75 CG GLU A 5 -3.010 -2.778 -11.735 1.00 33.40 C ATOM 76 CD GLU A 5 -2.320 -1.462 -12.005 1.00 1.35 C ATOM 77 OE1 GLU A 5 -3.013 -0.485 -12.353 1.00 65.32 O ATOM 78 OE2 GLU A 5 -1.082 -1.392 -11.855 1.00 41.11 O ATOM 0 H GLU A 5 -3.846 -3.589 -7.961 1.00 75.24 H new ATOM 0 HA GLU A 5 -4.984 -4.241 -10.423 1.00 25.43 H new ATOM 0 HB2 GLU A 5 -3.788 -2.153 -9.847 1.00 11.12 H new ATOM 0 HB3 GLU A 5 -2.279 -3.038 -9.746 1.00 11.12 H new ATOM 0 HG2 GLU A 5 -2.407 -3.592 -12.136 1.00 33.40 H new ATOM 0 HG3 GLU A 5 -3.965 -2.800 -12.260 1.00 33.40 H new ATOM 85 N LYS A 6 -2.253 -5.917 -9.695 1.00 24.32 N ATOM 86 CA LYS A 6 -1.573 -7.174 -9.944 1.00 11.40 C ATOM 87 C LYS A 6 -1.825 -8.103 -8.766 1.00 13.24 C ATOM 88 O LYS A 6 -1.212 -7.970 -7.707 1.00 3.34 O ATOM 89 CB LYS A 6 -0.078 -6.945 -10.164 1.00 1.24 C ATOM 90 CG LYS A 6 0.225 -6.094 -11.388 1.00 53.14 C ATOM 91 CD LYS A 6 1.711 -5.813 -11.523 1.00 71.23 C ATOM 92 CE LYS A 6 2.010 -4.989 -12.763 1.00 63.35 C ATOM 93 NZ LYS A 6 3.449 -4.638 -12.859 1.00 34.12 N1+ ATOM 0 H LYS A 6 -1.880 -5.386 -8.908 1.00 24.32 H new ATOM 0 HA LYS A 6 -1.962 -7.633 -10.852 1.00 11.40 H new ATOM 0 HB2 LYS A 6 0.343 -6.463 -9.281 1.00 1.24 H new ATOM 0 HB3 LYS A 6 0.419 -7.909 -10.268 1.00 1.24 H new ATOM 0 HG2 LYS A 6 -0.132 -6.604 -12.283 1.00 53.14 H new ATOM 0 HG3 LYS A 6 -0.319 -5.152 -11.320 1.00 53.14 H new ATOM 0 HD2 LYS A 6 2.064 -5.283 -10.638 1.00 71.23 H new ATOM 0 HD3 LYS A 6 2.258 -6.755 -11.570 1.00 71.23 H new ATOM 0 HE2 LYS A 6 1.712 -5.547 -13.651 1.00 63.35 H new ATOM 0 HE3 LYS A 6 1.414 -4.077 -12.745 1.00 63.35 H new ATOM 0 HZ1 LYS A 6 3.613 -4.076 -13.718 1.00 34.12 H new ATOM 0 HZ2 LYS A 6 3.728 -4.084 -12.024 1.00 34.12 H new ATOM 0 HZ3 LYS A 6 4.017 -5.508 -12.902 1.00 34.12 H new ATOM 107 N SER A 7 -2.754 -9.026 -8.953 1.00 62.42 N ATOM 108 CA SER A 7 -3.269 -9.830 -7.856 1.00 34.41 C ATOM 109 C SER A 7 -2.417 -11.068 -7.582 1.00 71.24 C ATOM 110 O SER A 7 -2.643 -11.760 -6.586 1.00 62.30 O ATOM 111 CB SER A 7 -4.705 -10.255 -8.162 1.00 54.53 C ATOM 112 OG SER A 7 -5.528 -9.133 -8.437 1.00 0.22 O ATOM 0 H SER A 7 -3.169 -9.238 -9.860 1.00 62.42 H new ATOM 0 HA SER A 7 -3.237 -9.211 -6.960 1.00 34.41 H new ATOM 0 HB2 SER A 7 -4.712 -10.932 -9.017 1.00 54.53 H new ATOM 0 HB3 SER A 7 -5.111 -10.807 -7.315 1.00 54.53 H new ATOM 0 HG SER A 7 -5.018 -8.309 -8.289 1.00 0.22 H new ATOM 118 N LYS A 8 -1.443 -11.336 -8.456 1.00 61.21 N ATOM 119 CA LYS A 8 -0.622 -12.545 -8.358 1.00 11.33 C ATOM 120 C LYS A 8 -1.487 -13.794 -8.523 1.00 3.25 C ATOM 121 O LYS A 8 -2.605 -13.721 -9.034 1.00 21.13 O ATOM 122 CB LYS A 8 0.127 -12.591 -7.020 1.00 61.31 C ATOM 123 CG LYS A 8 1.270 -11.597 -6.921 1.00 3.20 C ATOM 124 CD LYS A 8 2.402 -11.974 -7.860 1.00 70.25 C ATOM 125 CE LYS A 8 3.539 -10.969 -7.798 1.00 72.34 C ATOM 126 NZ LYS A 8 4.661 -11.348 -8.695 1.00 71.12 N1+ ATOM 0 H LYS A 8 -1.204 -10.730 -9.241 1.00 61.21 H new ATOM 0 HA LYS A 8 0.114 -12.520 -9.162 1.00 11.33 H new ATOM 0 HB2 LYS A 8 -0.579 -12.399 -6.212 1.00 61.31 H new ATOM 0 HB3 LYS A 8 0.519 -13.597 -6.868 1.00 61.31 H new ATOM 0 HG2 LYS A 8 0.909 -10.597 -7.163 1.00 3.20 H new ATOM 0 HG3 LYS A 8 1.639 -11.563 -5.896 1.00 3.20 H new ATOM 0 HD2 LYS A 8 2.776 -12.964 -7.600 1.00 70.25 H new ATOM 0 HD3 LYS A 8 2.024 -12.034 -8.881 1.00 70.25 H new ATOM 0 HE2 LYS A 8 3.168 -9.983 -8.077 1.00 72.34 H new ATOM 0 HE3 LYS A 8 3.902 -10.894 -6.773 1.00 72.34 H new ATOM 0 HZ1 LYS A 8 5.417 -10.637 -8.624 1.00 71.12 H new ATOM 0 HZ2 LYS A 8 5.032 -12.278 -8.413 1.00 71.12 H new ATOM 0 HZ3 LYS A 8 4.320 -11.394 -9.677 1.00 71.12 H new ATOM 140 N THR A 9 -0.963 -14.941 -8.114 1.00 63.21 N ATOM 141 CA THR A 9 -1.723 -16.176 -8.167 1.00 11.33 C ATOM 142 C THR A 9 -2.597 -16.306 -6.920 1.00 4.34 C ATOM 143 O THR A 9 -2.101 -16.560 -5.817 1.00 3.22 O ATOM 144 CB THR A 9 -0.795 -17.400 -8.280 1.00 11.04 C ATOM 145 OG1 THR A 9 0.218 -17.147 -9.265 1.00 44.40 O ATOM 146 CG2 THR A 9 -1.581 -18.645 -8.664 1.00 35.22 C ATOM 0 H THR A 9 -0.018 -15.039 -7.743 1.00 63.21 H new ATOM 0 HA THR A 9 -2.355 -16.143 -9.055 1.00 11.33 H new ATOM 0 HB THR A 9 -0.331 -17.571 -7.309 1.00 11.04 H new ATOM 0 HG1 THR A 9 1.001 -16.746 -8.833 1.00 44.40 H new ATOM 0 HG21 THR A 9 -0.903 -19.495 -8.737 1.00 35.22 H new ATOM 0 HG22 THR A 9 -2.336 -18.847 -7.904 1.00 35.22 H new ATOM 0 HG23 THR A 9 -2.068 -18.485 -9.626 1.00 35.22 H new ATOM 154 N LEU A 10 -3.892 -16.103 -7.095 1.00 40.45 N ATOM 155 CA LEU A 10 -4.824 -16.163 -5.985 1.00 50.02 C ATOM 156 C LEU A 10 -6.087 -16.906 -6.399 1.00 0.44 C ATOM 157 O LEU A 10 -6.461 -16.904 -7.573 1.00 53.24 O ATOM 158 CB LEU A 10 -5.181 -14.752 -5.488 1.00 5.13 C ATOM 159 CG LEU A 10 -6.191 -13.967 -6.338 1.00 43.53 C ATOM 160 CD1 LEU A 10 -6.581 -12.680 -5.630 1.00 34.15 C ATOM 161 CD2 LEU A 10 -5.628 -13.657 -7.718 1.00 11.23 C ATOM 0 H LEU A 10 -4.321 -15.895 -7.997 1.00 40.45 H new ATOM 0 HA LEU A 10 -4.344 -16.702 -5.168 1.00 50.02 H new ATOM 0 HB2 LEU A 10 -5.577 -14.836 -4.476 1.00 5.13 H new ATOM 0 HB3 LEU A 10 -4.262 -14.169 -5.423 1.00 5.13 H new ATOM 0 HG LEU A 10 -7.078 -14.587 -6.468 1.00 43.53 H new ATOM 0 HD11 LEU A 10 -7.297 -12.131 -6.241 1.00 34.15 H new ATOM 0 HD12 LEU A 10 -7.033 -12.917 -4.667 1.00 34.15 H new ATOM 0 HD13 LEU A 10 -5.693 -12.067 -5.474 1.00 34.15 H new ATOM 0 HD21 LEU A 10 -6.366 -13.101 -8.296 1.00 11.23 H new ATOM 0 HD22 LEU A 10 -4.722 -13.059 -7.616 1.00 11.23 H new ATOM 0 HD23 LEU A 10 -5.392 -14.589 -8.232 1.00 11.23 H new ATOM 173 N PHE A 11 -6.733 -17.540 -5.439 1.00 32.50 N ATOM 174 CA PHE A 11 -7.976 -18.243 -5.695 1.00 4.31 C ATOM 175 C PHE A 11 -9.145 -17.452 -5.137 1.00 11.32 C ATOM 176 O PHE A 11 -9.168 -17.094 -3.958 1.00 2.15 O ATOM 177 CB PHE A 11 -7.947 -19.648 -5.089 1.00 24.44 C ATOM 178 CG PHE A 11 -7.242 -20.668 -5.944 1.00 43.14 C ATOM 179 CD1 PHE A 11 -6.280 -20.286 -6.868 1.00 11.21 C ATOM 180 CD2 PHE A 11 -7.550 -22.014 -5.825 1.00 43.33 C ATOM 181 CE1 PHE A 11 -5.638 -21.225 -7.651 1.00 33.12 C ATOM 182 CE2 PHE A 11 -6.908 -22.957 -6.605 1.00 31.33 C ATOM 183 CZ PHE A 11 -5.954 -22.562 -7.522 1.00 73.20 C ATOM 0 H PHE A 11 -6.416 -17.583 -4.470 1.00 32.50 H new ATOM 0 HA PHE A 11 -8.097 -18.344 -6.774 1.00 4.31 H new ATOM 0 HB2 PHE A 11 -7.457 -19.603 -4.116 1.00 24.44 H new ATOM 0 HB3 PHE A 11 -8.971 -19.979 -4.916 1.00 24.44 H new ATOM 0 HD1 PHE A 11 -6.030 -19.241 -6.976 1.00 11.21 H new ATOM 0 HD2 PHE A 11 -8.300 -22.329 -5.115 1.00 43.33 H new ATOM 0 HE1 PHE A 11 -4.889 -20.913 -8.364 1.00 33.12 H new ATOM 0 HE2 PHE A 11 -7.153 -24.003 -6.497 1.00 31.33 H new ATOM 0 HZ PHE A 11 -5.457 -23.298 -8.137 1.00 73.20 H new ATOM 193 N GLU A 12 -10.098 -17.162 -5.995 1.00 44.51 N ATOM 194 CA GLU A 12 -11.270 -16.411 -5.600 1.00 20.43 C ATOM 195 C GLU A 12 -12.376 -17.371 -5.186 1.00 65.42 C ATOM 196 O GLU A 12 -13.012 -18.006 -6.028 1.00 22.25 O ATOM 197 CB GLU A 12 -11.713 -15.531 -6.765 1.00 63.11 C ATOM 198 CG GLU A 12 -10.619 -14.586 -7.239 1.00 31.32 C ATOM 199 CD GLU A 12 -10.719 -14.276 -8.716 1.00 3.02 C ATOM 200 OE1 GLU A 12 -10.083 -14.995 -9.518 1.00 4.25 O ATOM 201 OE2 GLU A 12 -11.428 -13.316 -9.083 1.00 41.12 O ATOM 0 H GLU A 12 -10.084 -17.437 -6.977 1.00 44.51 H new ATOM 0 HA GLU A 12 -11.039 -15.772 -4.748 1.00 20.43 H new ATOM 0 HB2 GLU A 12 -12.024 -16.165 -7.595 1.00 63.11 H new ATOM 0 HB3 GLU A 12 -12.584 -14.949 -6.464 1.00 63.11 H new ATOM 0 HG2 GLU A 12 -10.675 -13.657 -6.672 1.00 31.32 H new ATOM 0 HG3 GLU A 12 -9.645 -15.029 -7.029 1.00 31.32 H new ATOM 208 N VAL A 13 -12.587 -17.485 -3.884 1.00 44.40 N ATOM 209 CA VAL A 13 -13.552 -18.431 -3.349 1.00 61.54 C ATOM 210 C VAL A 13 -14.709 -17.711 -2.671 1.00 21.21 C ATOM 211 O VAL A 13 -14.545 -16.616 -2.128 1.00 61.53 O ATOM 212 CB VAL A 13 -12.897 -19.417 -2.359 1.00 34.34 C ATOM 213 CG1 VAL A 13 -11.934 -20.343 -3.085 1.00 75.42 C ATOM 214 CG2 VAL A 13 -12.180 -18.676 -1.243 1.00 65.34 C ATOM 0 H VAL A 13 -12.101 -16.933 -3.177 1.00 44.40 H new ATOM 0 HA VAL A 13 -13.938 -19.001 -4.194 1.00 61.54 H new ATOM 0 HB VAL A 13 -13.688 -20.019 -1.912 1.00 34.34 H new ATOM 0 HG11 VAL A 13 -11.482 -21.031 -2.370 1.00 75.42 H new ATOM 0 HG12 VAL A 13 -12.476 -20.910 -3.842 1.00 75.42 H new ATOM 0 HG13 VAL A 13 -11.153 -19.753 -3.564 1.00 75.42 H new ATOM 0 HG21 VAL A 13 -11.728 -19.396 -0.560 1.00 65.34 H new ATOM 0 HG22 VAL A 13 -11.403 -18.041 -1.668 1.00 65.34 H new ATOM 0 HG23 VAL A 13 -12.895 -18.059 -0.698 1.00 65.34 H new ATOM 224 N GLU A 14 -15.879 -18.329 -2.712 1.00 5.01 N ATOM 225 CA GLU A 14 -17.080 -17.728 -2.158 1.00 22.50 C ATOM 226 C GLU A 14 -17.709 -18.646 -1.122 1.00 42.54 C ATOM 227 O GLU A 14 -17.847 -19.851 -1.346 1.00 71.21 O ATOM 228 CB GLU A 14 -18.081 -17.427 -3.275 1.00 31.03 C ATOM 229 CG GLU A 14 -17.519 -16.518 -4.353 1.00 51.05 C ATOM 230 CD GLU A 14 -18.491 -16.275 -5.484 1.00 4.21 C ATOM 231 OE1 GLU A 14 -18.589 -17.139 -6.382 1.00 4.34 O ATOM 232 OE2 GLU A 14 -19.146 -15.211 -5.489 1.00 51.35 O ATOM 0 H GLU A 14 -16.022 -19.251 -3.125 1.00 5.01 H new ATOM 0 HA GLU A 14 -16.805 -16.794 -1.668 1.00 22.50 H new ATOM 0 HB2 GLU A 14 -18.401 -18.365 -3.730 1.00 31.03 H new ATOM 0 HB3 GLU A 14 -18.968 -16.963 -2.844 1.00 31.03 H new ATOM 0 HG2 GLU A 14 -17.242 -15.563 -3.907 1.00 51.05 H new ATOM 0 HG3 GLU A 14 -16.606 -16.959 -4.754 1.00 51.05 H new ATOM 239 N GLY A 15 -18.081 -18.070 0.011 1.00 1.31 N ATOM 240 CA GLY A 15 -18.692 -18.833 1.080 1.00 62.22 C ATOM 241 C GLY A 15 -19.501 -17.947 2.000 1.00 74.20 C ATOM 242 O GLY A 15 -19.347 -16.725 1.979 1.00 13.23 O ATOM 0 H GLY A 15 -17.969 -17.076 0.211 1.00 1.31 H new ATOM 0 HA2 GLY A 15 -19.336 -19.604 0.656 1.00 62.22 H new ATOM 0 HA3 GLY A 15 -17.918 -19.344 1.653 1.00 62.22 H new ATOM 246 N ALA A 16 -20.367 -18.550 2.801 1.00 64.44 N ATOM 247 CA ALA A 16 -21.209 -17.792 3.712 1.00 4.02 C ATOM 248 C ALA A 16 -20.490 -17.532 5.033 1.00 42.40 C ATOM 249 O ALA A 16 -19.956 -18.455 5.656 1.00 70.23 O ATOM 250 CB ALA A 16 -22.520 -18.525 3.951 1.00 12.12 C ATOM 0 H ALA A 16 -20.504 -19.560 2.838 1.00 64.44 H new ATOM 0 HA ALA A 16 -21.427 -16.827 3.253 1.00 4.02 H new ATOM 0 HB1 ALA A 16 -23.141 -17.946 4.635 1.00 12.12 H new ATOM 0 HB2 ALA A 16 -23.044 -18.651 3.004 1.00 12.12 H new ATOM 0 HB3 ALA A 16 -22.316 -19.503 4.386 1.00 12.12 H new ATOM 256 N VAL A 17 -20.465 -16.270 5.445 1.00 12.34 N ATOM 257 CA VAL A 17 -19.845 -15.886 6.706 1.00 21.51 C ATOM 258 C VAL A 17 -20.738 -16.288 7.878 1.00 14.15 C ATOM 259 O VAL A 17 -21.919 -15.935 7.927 1.00 12.34 O ATOM 260 CB VAL A 17 -19.540 -14.368 6.748 1.00 14.24 C ATOM 261 CG1 VAL A 17 -20.783 -13.548 6.439 1.00 75.25 C ATOM 262 CG2 VAL A 17 -18.947 -13.964 8.094 1.00 73.43 C ATOM 0 H VAL A 17 -20.869 -15.493 4.922 1.00 12.34 H new ATOM 0 HA VAL A 17 -18.896 -16.415 6.789 1.00 21.51 H new ATOM 0 HB VAL A 17 -18.799 -14.160 5.976 1.00 14.24 H new ATOM 0 HG11 VAL A 17 -20.537 -12.487 6.476 1.00 75.25 H new ATOM 0 HG12 VAL A 17 -21.148 -13.801 5.444 1.00 75.25 H new ATOM 0 HG13 VAL A 17 -21.556 -13.767 7.176 1.00 75.25 H new ATOM 0 HG21 VAL A 17 -18.743 -12.893 8.095 1.00 73.43 H new ATOM 0 HG22 VAL A 17 -19.655 -14.199 8.889 1.00 73.43 H new ATOM 0 HG23 VAL A 17 -18.019 -14.510 8.261 1.00 73.43 H new ATOM 272 N THR A 18 -20.180 -17.051 8.806 1.00 45.52 N ATOM 273 CA THR A 18 -20.960 -17.606 9.903 1.00 52.43 C ATOM 274 C THR A 18 -20.710 -16.853 11.211 1.00 55.43 C ATOM 275 O THR A 18 -21.602 -16.740 12.056 1.00 22.02 O ATOM 276 CB THR A 18 -20.657 -19.114 10.081 1.00 52.14 C ATOM 277 OG1 THR A 18 -21.502 -19.683 11.088 1.00 13.23 O ATOM 278 CG2 THR A 18 -19.195 -19.352 10.443 1.00 51.54 C ATOM 0 H THR A 18 -19.191 -17.300 8.822 1.00 45.52 H new ATOM 0 HA THR A 18 -22.013 -17.488 9.648 1.00 52.43 H new ATOM 0 HB THR A 18 -20.857 -19.600 9.126 1.00 52.14 H new ATOM 0 HG1 THR A 18 -21.298 -20.636 11.186 1.00 13.23 H new ATOM 0 HG21 THR A 18 -19.019 -20.421 10.560 1.00 51.54 H new ATOM 0 HG22 THR A 18 -18.556 -18.964 9.650 1.00 51.54 H new ATOM 0 HG23 THR A 18 -18.964 -18.842 11.378 1.00 51.54 H new ATOM 286 N ALA A 19 -19.506 -16.319 11.367 1.00 64.03 N ATOM 287 CA ALA A 19 -19.138 -15.625 12.588 1.00 13.50 C ATOM 288 C ALA A 19 -18.046 -14.603 12.318 1.00 61.53 C ATOM 289 O ALA A 19 -17.448 -14.591 11.240 1.00 54.10 O ATOM 290 CB ALA A 19 -18.676 -16.618 13.644 1.00 72.53 C ATOM 0 H ALA A 19 -18.770 -16.354 10.662 1.00 64.03 H new ATOM 0 HA ALA A 19 -20.018 -15.100 12.960 1.00 13.50 H new ATOM 0 HB1 ALA A 19 -18.404 -16.082 14.553 1.00 72.53 H new ATOM 0 HB2 ALA A 19 -19.483 -17.318 13.863 1.00 72.53 H new ATOM 0 HB3 ALA A 19 -17.810 -17.167 13.273 1.00 72.53 H new ATOM 296 N LEU A 20 -17.798 -13.750 13.297 1.00 73.14 N ATOM 297 CA LEU A 20 -16.751 -12.751 13.193 1.00 1.53 C ATOM 298 C LEU A 20 -16.079 -12.567 14.547 1.00 44.01 C ATOM 299 O LEU A 20 -16.672 -12.850 15.588 1.00 44.23 O ATOM 300 CB LEU A 20 -17.304 -11.406 12.694 1.00 2.12 C ATOM 301 CG LEU A 20 -18.041 -10.546 13.732 1.00 45.21 C ATOM 302 CD1 LEU A 20 -18.336 -9.169 13.160 1.00 24.30 C ATOM 303 CD2 LEU A 20 -19.333 -11.209 14.187 1.00 25.04 C ATOM 0 H LEU A 20 -18.312 -13.731 14.178 1.00 73.14 H new ATOM 0 HA LEU A 20 -16.019 -13.102 12.465 1.00 1.53 H new ATOM 0 HB2 LEU A 20 -16.475 -10.823 12.293 1.00 2.12 H new ATOM 0 HB3 LEU A 20 -17.985 -11.602 11.866 1.00 2.12 H new ATOM 0 HG LEU A 20 -17.391 -10.443 14.601 1.00 45.21 H new ATOM 0 HD11 LEU A 20 -18.858 -8.570 13.906 1.00 24.30 H new ATOM 0 HD12 LEU A 20 -17.400 -8.679 12.891 1.00 24.30 H new ATOM 0 HD13 LEU A 20 -18.961 -9.270 12.273 1.00 24.30 H new ATOM 0 HD21 LEU A 20 -19.829 -10.574 14.921 1.00 25.04 H new ATOM 0 HD22 LEU A 20 -19.990 -11.353 13.329 1.00 25.04 H new ATOM 0 HD23 LEU A 20 -19.107 -12.176 14.637 1.00 25.04 H new ATOM 315 N LEU A 21 -14.845 -12.108 14.523 1.00 12.31 N ATOM 316 CA LEU A 21 -14.103 -11.837 15.739 1.00 61.51 C ATOM 317 C LEU A 21 -13.992 -10.324 15.910 1.00 23.52 C ATOM 318 O LEU A 21 -13.850 -9.607 14.918 1.00 23.24 O ATOM 319 CB LEU A 21 -12.709 -12.472 15.650 1.00 13.10 C ATOM 320 CG LEU A 21 -11.918 -12.533 16.960 1.00 40.14 C ATOM 321 CD1 LEU A 21 -12.539 -13.541 17.917 1.00 63.11 C ATOM 322 CD2 LEU A 21 -10.465 -12.885 16.686 1.00 31.24 C ATOM 0 H LEU A 21 -14.329 -11.913 13.665 1.00 12.31 H new ATOM 0 HA LEU A 21 -14.618 -12.265 16.599 1.00 61.51 H new ATOM 0 HB2 LEU A 21 -12.817 -13.486 15.265 1.00 13.10 H new ATOM 0 HB3 LEU A 21 -12.123 -11.915 14.919 1.00 13.10 H new ATOM 0 HG LEU A 21 -11.954 -11.550 17.429 1.00 40.14 H new ATOM 0 HD11 LEU A 21 -11.962 -13.569 18.841 1.00 63.11 H new ATOM 0 HD12 LEU A 21 -13.565 -13.248 18.139 1.00 63.11 H new ATOM 0 HD13 LEU A 21 -12.535 -14.529 17.457 1.00 63.11 H new ATOM 0 HD21 LEU A 21 -9.916 -12.924 17.627 1.00 31.24 H new ATOM 0 HD22 LEU A 21 -10.412 -13.856 16.194 1.00 31.24 H new ATOM 0 HD23 LEU A 21 -10.023 -12.127 16.040 1.00 31.24 H new ATOM 334 N PRO A 22 -14.071 -9.813 17.155 1.00 60.35 N ATOM 335 CA PRO A 22 -13.970 -8.366 17.445 1.00 45.52 C ATOM 336 C PRO A 22 -12.576 -7.785 17.168 1.00 65.32 C ATOM 337 O PRO A 22 -12.106 -6.888 17.872 1.00 24.54 O ATOM 338 CB PRO A 22 -14.292 -8.284 18.941 1.00 74.42 C ATOM 339 CG PRO A 22 -13.959 -9.631 19.477 1.00 52.55 C ATOM 340 CD PRO A 22 -14.295 -10.598 18.381 1.00 31.44 C ATOM 0 HA PRO A 22 -14.638 -7.786 16.808 1.00 45.52 H new ATOM 0 HB2 PRO A 22 -13.704 -7.507 19.430 1.00 74.42 H new ATOM 0 HB3 PRO A 22 -15.342 -8.041 19.107 1.00 74.42 H new ATOM 0 HG2 PRO A 22 -12.905 -9.696 19.747 1.00 52.55 H new ATOM 0 HG3 PRO A 22 -14.532 -9.846 20.379 1.00 52.55 H new ATOM 0 HD2 PRO A 22 -13.658 -11.482 18.415 1.00 31.44 H new ATOM 0 HD3 PRO A 22 -15.326 -10.946 18.453 1.00 31.44 H new ATOM 348 N ALA A 23 -11.940 -8.288 16.123 1.00 62.25 N ATOM 349 CA ALA A 23 -10.628 -7.834 15.701 1.00 42.03 C ATOM 350 C ALA A 23 -10.627 -7.619 14.191 1.00 55.23 C ATOM 351 O ALA A 23 -9.592 -7.742 13.535 1.00 62.30 O ATOM 352 CB ALA A 23 -9.572 -8.853 16.098 1.00 43.01 C ATOM 0 H ALA A 23 -12.325 -9.030 15.539 1.00 62.25 H new ATOM 0 HA ALA A 23 -10.394 -6.890 16.192 1.00 42.03 H new ATOM 0 HB1 ALA A 23 -8.591 -8.504 15.777 1.00 43.01 H new ATOM 0 HB2 ALA A 23 -9.576 -8.979 17.181 1.00 43.01 H new ATOM 0 HB3 ALA A 23 -9.791 -9.808 15.621 1.00 43.01 H new ATOM 358 N ALA A 24 -11.812 -7.301 13.659 1.00 71.10 N ATOM 359 CA ALA A 24 -12.017 -7.106 12.221 1.00 62.31 C ATOM 360 C ALA A 24 -11.823 -8.411 11.452 1.00 63.20 C ATOM 361 O ALA A 24 -11.544 -8.407 10.251 1.00 11.20 O ATOM 362 CB ALA A 24 -11.102 -6.013 11.682 1.00 21.03 C ATOM 0 H ALA A 24 -12.657 -7.172 14.215 1.00 71.10 H new ATOM 0 HA ALA A 24 -13.048 -6.785 12.074 1.00 62.31 H new ATOM 0 HB1 ALA A 24 -11.274 -5.889 10.613 1.00 21.03 H new ATOM 0 HB2 ALA A 24 -11.314 -5.075 12.195 1.00 21.03 H new ATOM 0 HB3 ALA A 24 -10.062 -6.292 11.852 1.00 21.03 H new ATOM 368 N GLU A 25 -12.004 -9.525 12.148 1.00 41.15 N ATOM 369 CA GLU A 25 -11.848 -10.840 11.546 1.00 33.31 C ATOM 370 C GLU A 25 -13.213 -11.427 11.207 1.00 44.52 C ATOM 371 O GLU A 25 -14.145 -11.343 12.002 1.00 35.13 O ATOM 372 CB GLU A 25 -11.101 -11.778 12.502 1.00 0.34 C ATOM 373 CG GLU A 25 -10.827 -13.164 11.925 1.00 43.44 C ATOM 374 CD GLU A 25 -10.199 -14.109 12.932 1.00 13.21 C ATOM 375 OE1 GLU A 25 -9.175 -13.739 13.545 1.00 43.10 O ATOM 376 OE2 GLU A 25 -10.719 -15.232 13.109 1.00 15.34 O ATOM 0 H GLU A 25 -12.260 -9.543 13.135 1.00 41.15 H new ATOM 0 HA GLU A 25 -11.268 -10.736 10.629 1.00 33.31 H new ATOM 0 HB2 GLU A 25 -10.153 -11.317 12.779 1.00 0.34 H new ATOM 0 HB3 GLU A 25 -11.683 -11.885 13.417 1.00 0.34 H new ATOM 0 HG2 GLU A 25 -11.762 -13.594 11.565 1.00 43.44 H new ATOM 0 HG3 GLU A 25 -10.167 -13.069 11.063 1.00 43.44 H new ATOM 383 N PHE A 26 -13.321 -12.016 10.030 1.00 13.30 N ATOM 384 CA PHE A 26 -14.546 -12.672 9.604 1.00 13.23 C ATOM 385 C PHE A 26 -14.240 -14.126 9.291 1.00 14.33 C ATOM 386 O PHE A 26 -13.135 -14.441 8.853 1.00 42.13 O ATOM 387 CB PHE A 26 -15.127 -11.987 8.360 1.00 13.22 C ATOM 388 CG PHE A 26 -15.351 -10.510 8.520 1.00 41.42 C ATOM 389 CD1 PHE A 26 -16.490 -10.031 9.149 1.00 72.11 C ATOM 390 CD2 PHE A 26 -14.423 -9.601 8.034 1.00 33.44 C ATOM 391 CE1 PHE A 26 -16.698 -8.672 9.291 1.00 15.14 C ATOM 392 CE2 PHE A 26 -14.626 -8.242 8.174 1.00 74.42 C ATOM 393 CZ PHE A 26 -15.765 -7.777 8.804 1.00 70.34 C ATOM 0 H PHE A 26 -12.567 -12.054 9.345 1.00 13.30 H new ATOM 0 HA PHE A 26 -15.283 -12.606 10.405 1.00 13.23 H new ATOM 0 HB2 PHE A 26 -14.453 -12.152 7.520 1.00 13.22 H new ATOM 0 HB3 PHE A 26 -16.075 -12.462 8.107 1.00 13.22 H new ATOM 0 HD1 PHE A 26 -17.222 -10.727 9.532 1.00 72.11 H new ATOM 0 HD2 PHE A 26 -13.532 -9.960 7.541 1.00 33.44 H new ATOM 0 HE1 PHE A 26 -17.589 -8.310 9.782 1.00 15.14 H new ATOM 0 HE2 PHE A 26 -13.896 -7.544 7.792 1.00 74.42 H new ATOM 0 HZ PHE A 26 -15.926 -6.715 8.915 1.00 70.34 H new ATOM 403 N ARG A 27 -15.187 -15.017 9.524 1.00 44.53 N ATOM 404 CA ARG A 27 -14.968 -16.420 9.215 1.00 40.13 C ATOM 405 C ARG A 27 -16.103 -16.979 8.372 1.00 53.31 C ATOM 406 O ARG A 27 -17.245 -17.093 8.831 1.00 52.42 O ATOM 407 CB ARG A 27 -14.800 -17.244 10.491 1.00 14.03 C ATOM 408 CG ARG A 27 -13.590 -16.841 11.319 1.00 25.25 C ATOM 409 CD ARG A 27 -13.334 -17.826 12.449 1.00 44.15 C ATOM 410 NE ARG A 27 -12.282 -17.363 13.352 1.00 73.13 N ATOM 411 CZ ARG A 27 -11.918 -18.000 14.464 1.00 14.21 C ATOM 412 NH1 ARG A 27 -12.475 -19.160 14.784 1.00 31.01 N ATOM 413 NH2 ARG A 27 -10.975 -17.484 15.241 1.00 20.04 N ATOM 0 H ARG A 27 -16.102 -14.800 9.920 1.00 44.53 H new ATOM 0 HA ARG A 27 -14.046 -16.489 8.638 1.00 40.13 H new ATOM 0 HB2 ARG A 27 -15.698 -17.142 11.101 1.00 14.03 H new ATOM 0 HB3 ARG A 27 -14.714 -18.297 10.225 1.00 14.03 H new ATOM 0 HG2 ARG A 27 -12.711 -16.786 10.677 1.00 25.25 H new ATOM 0 HG3 ARG A 27 -13.746 -15.844 11.732 1.00 25.25 H new ATOM 0 HD2 ARG A 27 -14.254 -17.978 13.013 1.00 44.15 H new ATOM 0 HD3 ARG A 27 -13.053 -18.793 12.031 1.00 44.15 H new ATOM 0 HE ARG A 27 -11.796 -16.498 13.116 1.00 73.13 H new ATOM 0 HH11 ARG A 27 -13.186 -19.569 14.178 1.00 31.01 H new ATOM 0 HH12 ARG A 27 -12.193 -19.643 15.637 1.00 31.01 H new ATOM 0 HH21 ARG A 27 -10.531 -16.602 14.987 1.00 20.04 H new ATOM 0 HH22 ARG A 27 -10.694 -17.969 16.093 1.00 20.04 H new ATOM 427 N VAL A 28 -15.779 -17.302 7.132 1.00 72.34 N ATOM 428 CA VAL A 28 -16.714 -17.955 6.235 1.00 32.32 C ATOM 429 C VAL A 28 -16.381 -19.437 6.163 1.00 45.25 C ATOM 430 O VAL A 28 -15.224 -19.822 6.354 1.00 72.53 O ATOM 431 CB VAL A 28 -16.662 -17.353 4.808 1.00 72.31 C ATOM 432 CG1 VAL A 28 -16.951 -15.861 4.841 1.00 45.11 C ATOM 433 CG2 VAL A 28 -15.317 -17.623 4.144 1.00 71.41 C ATOM 0 H VAL A 28 -14.864 -17.119 6.721 1.00 72.34 H new ATOM 0 HA VAL A 28 -17.719 -17.802 6.627 1.00 32.32 H new ATOM 0 HB VAL A 28 -17.435 -17.841 4.214 1.00 72.31 H new ATOM 0 HG11 VAL A 28 -16.909 -15.460 3.828 1.00 45.11 H new ATOM 0 HG12 VAL A 28 -17.944 -15.692 5.258 1.00 45.11 H new ATOM 0 HG13 VAL A 28 -16.207 -15.360 5.461 1.00 45.11 H new ATOM 0 HG21 VAL A 28 -15.311 -17.189 3.144 1.00 71.41 H new ATOM 0 HG22 VAL A 28 -14.521 -17.175 4.739 1.00 71.41 H new ATOM 0 HG23 VAL A 28 -15.156 -18.699 4.073 1.00 71.41 H new ATOM 443 N LYS A 29 -17.371 -20.273 5.911 1.00 24.31 N ATOM 444 CA LYS A 29 -17.098 -21.686 5.731 1.00 15.30 C ATOM 445 C LYS A 29 -17.435 -22.096 4.306 1.00 12.42 C ATOM 446 O LYS A 29 -18.493 -21.748 3.772 1.00 31.25 O ATOM 447 CB LYS A 29 -17.840 -22.571 6.756 1.00 14.03 C ATOM 448 CG LYS A 29 -19.308 -22.839 6.443 1.00 11.25 C ATOM 449 CD LYS A 29 -20.212 -21.702 6.884 1.00 71.14 C ATOM 450 CE LYS A 29 -21.666 -22.004 6.541 1.00 2.42 C ATOM 451 NZ LYS A 29 -22.620 -21.076 7.209 1.00 24.53 N1+ ATOM 0 H LYS A 29 -18.352 -20.006 5.828 1.00 24.31 H new ATOM 0 HA LYS A 29 -16.034 -21.843 5.909 1.00 15.30 H new ATOM 0 HB2 LYS A 29 -17.321 -23.527 6.829 1.00 14.03 H new ATOM 0 HB3 LYS A 29 -17.775 -22.097 7.735 1.00 14.03 H new ATOM 0 HG2 LYS A 29 -19.425 -22.997 5.371 1.00 11.25 H new ATOM 0 HG3 LYS A 29 -19.620 -23.759 6.937 1.00 11.25 H new ATOM 0 HD2 LYS A 29 -20.111 -21.547 7.958 1.00 71.14 H new ATOM 0 HD3 LYS A 29 -19.903 -20.776 6.398 1.00 71.14 H new ATOM 0 HE2 LYS A 29 -21.801 -21.941 5.461 1.00 2.42 H new ATOM 0 HE3 LYS A 29 -21.898 -23.028 6.832 1.00 2.42 H new ATOM 0 HZ1 LYS A 29 -23.593 -21.327 6.941 1.00 24.53 H new ATOM 0 HZ2 LYS A 29 -22.514 -21.153 8.241 1.00 24.53 H new ATOM 0 HZ3 LYS A 29 -22.420 -20.100 6.912 1.00 24.53 H new ATOM 465 N LEU A 30 -16.508 -22.795 3.683 1.00 53.11 N ATOM 466 CA LEU A 30 -16.701 -23.279 2.333 1.00 42.33 C ATOM 467 C LEU A 30 -17.429 -24.617 2.379 1.00 1.33 C ATOM 468 O LEU A 30 -17.367 -25.322 3.387 1.00 52.33 O ATOM 469 CB LEU A 30 -15.345 -23.426 1.631 1.00 71.02 C ATOM 470 CG LEU A 30 -15.407 -23.756 0.137 1.00 35.32 C ATOM 471 CD1 LEU A 30 -16.056 -22.617 -0.636 1.00 53.21 C ATOM 472 CD2 LEU A 30 -14.013 -24.042 -0.404 1.00 31.15 C ATOM 0 H LEU A 30 -15.608 -23.041 4.094 1.00 53.11 H new ATOM 0 HA LEU A 30 -17.303 -22.566 1.769 1.00 42.33 H new ATOM 0 HB2 LEU A 30 -14.788 -22.498 1.757 1.00 71.02 H new ATOM 0 HB3 LEU A 30 -14.778 -24.209 2.135 1.00 71.02 H new ATOM 0 HG LEU A 30 -16.017 -24.650 0.008 1.00 35.32 H new ATOM 0 HD11 LEU A 30 -16.091 -22.870 -1.696 1.00 53.21 H new ATOM 0 HD12 LEU A 30 -17.069 -22.458 -0.267 1.00 53.21 H new ATOM 0 HD13 LEU A 30 -15.473 -21.706 -0.500 1.00 53.21 H new ATOM 0 HD21 LEU A 30 -14.076 -24.275 -1.467 1.00 31.15 H new ATOM 0 HD22 LEU A 30 -13.380 -23.166 -0.261 1.00 31.15 H new ATOM 0 HD23 LEU A 30 -13.583 -24.891 0.128 1.00 31.15 H new ATOM 484 N ASP A 31 -18.095 -24.976 1.287 1.00 31.33 N ATOM 485 CA ASP A 31 -18.851 -26.228 1.221 1.00 5.25 C ATOM 486 C ASP A 31 -17.913 -27.429 1.206 1.00 21.32 C ATOM 487 O ASP A 31 -18.347 -28.580 1.181 1.00 0.21 O ATOM 488 CB ASP A 31 -19.761 -26.243 -0.009 1.00 22.51 C ATOM 489 CG ASP A 31 -20.772 -25.117 0.019 1.00 70.44 C ATOM 490 OD1 ASP A 31 -21.727 -25.191 0.821 1.00 23.54 O ATOM 491 OD2 ASP A 31 -20.606 -24.145 -0.742 1.00 3.31 O ATOM 0 H ASP A 31 -18.129 -24.419 0.433 1.00 31.33 H new ATOM 0 HA ASP A 31 -19.474 -26.294 2.113 1.00 5.25 H new ATOM 0 HB2 ASP A 31 -19.153 -26.162 -0.910 1.00 22.51 H new ATOM 0 HB3 ASP A 31 -20.284 -27.198 -0.062 1.00 22.51 H new ATOM 496 N ASN A 32 -16.620 -27.140 1.230 1.00 1.13 N ATOM 497 CA ASN A 32 -15.591 -28.162 1.340 1.00 13.25 C ATOM 498 C ASN A 32 -15.312 -28.451 2.823 1.00 55.14 C ATOM 499 O ASN A 32 -14.324 -29.096 3.171 1.00 5.13 O ATOM 500 CB ASN A 32 -14.323 -27.687 0.613 1.00 61.41 C ATOM 501 CG ASN A 32 -13.299 -28.787 0.396 1.00 1.13 C ATOM 502 OD1 ASN A 32 -13.381 -29.546 -0.567 1.00 72.51 O ATOM 503 ND2 ASN A 32 -12.307 -28.854 1.264 1.00 5.25 N ATOM 0 H ASN A 32 -16.255 -26.189 1.174 1.00 1.13 H new ATOM 0 HA ASN A 32 -15.927 -29.087 0.872 1.00 13.25 H new ATOM 0 HB2 ASN A 32 -14.604 -27.268 -0.353 1.00 61.41 H new ATOM 0 HB3 ASN A 32 -13.864 -26.883 1.188 1.00 61.41 H new ATOM 0 HD21 ASN A 32 -11.574 -29.554 1.148 1.00 5.25 H new ATOM 0 HD22 ASN A 32 -12.273 -28.206 2.051 1.00 5.25 H new ATOM 510 N GLU A 33 -16.201 -27.943 3.686 1.00 12.23 N ATOM 511 CA GLU A 33 -16.170 -28.209 5.131 1.00 11.32 C ATOM 512 C GLU A 33 -14.962 -27.539 5.794 1.00 50.03 C ATOM 513 O GLU A 33 -14.424 -28.033 6.784 1.00 13.42 O ATOM 514 CB GLU A 33 -16.147 -29.720 5.395 1.00 12.13 C ATOM 515 CG GLU A 33 -16.857 -30.129 6.675 1.00 50.23 C ATOM 516 CD GLU A 33 -18.349 -29.875 6.610 1.00 12.30 C ATOM 517 OE1 GLU A 33 -18.789 -28.781 7.015 1.00 30.51 O ATOM 518 OE2 GLU A 33 -19.091 -30.766 6.141 1.00 15.11 O ATOM 0 H GLU A 33 -16.967 -27.332 3.400 1.00 12.23 H new ATOM 0 HA GLU A 33 -17.074 -27.785 5.568 1.00 11.32 H new ATOM 0 HB2 GLU A 33 -16.611 -30.234 4.553 1.00 12.13 H new ATOM 0 HB3 GLU A 33 -15.111 -30.056 5.442 1.00 12.13 H new ATOM 0 HG2 GLU A 33 -16.679 -31.187 6.865 1.00 50.23 H new ATOM 0 HG3 GLU A 33 -16.433 -29.579 7.515 1.00 50.23 H new ATOM 525 N HIS A 34 -14.550 -26.399 5.256 1.00 53.52 N ATOM 526 CA HIS A 34 -13.369 -25.700 5.758 1.00 40.13 C ATOM 527 C HIS A 34 -13.675 -24.230 6.006 1.00 33.24 C ATOM 528 O HIS A 34 -14.379 -23.598 5.215 1.00 64.15 O ATOM 529 CB HIS A 34 -12.198 -25.832 4.776 1.00 52.22 C ATOM 530 CG HIS A 34 -11.420 -27.112 4.905 1.00 44.34 C ATOM 531 ND1 HIS A 34 -10.048 -27.146 5.018 1.00 43.01 N ATOM 532 CD2 HIS A 34 -11.824 -28.406 4.922 1.00 63.11 C ATOM 533 CE1 HIS A 34 -9.644 -28.399 5.102 1.00 53.33 C ATOM 534 NE2 HIS A 34 -10.700 -29.183 5.045 1.00 12.23 N1+ ATOM 0 H HIS A 34 -15.013 -25.937 4.473 1.00 53.52 H new ATOM 0 HA HIS A 34 -13.086 -26.163 6.703 1.00 40.13 H new ATOM 0 HB2 HIS A 34 -12.582 -25.756 3.759 1.00 52.22 H new ATOM 0 HB3 HIS A 34 -11.519 -24.992 4.924 1.00 52.22 H new ATOM 0 HD2 HIS A 34 -12.842 -28.760 4.852 1.00 63.11 H new ATOM 0 HE1 HIS A 34 -8.620 -28.726 5.201 1.00 53.33 H new ATOM 0 HE2 HIS A 34 -10.685 -30.202 5.086 1.00 12.23 H new ATOM 543 N GLU A 35 -13.145 -23.690 7.097 1.00 32.33 N ATOM 544 CA GLU A 35 -13.316 -22.278 7.414 1.00 75.41 C ATOM 545 C GLU A 35 -12.143 -21.473 6.876 1.00 53.22 C ATOM 546 O GLU A 35 -11.002 -21.943 6.888 1.00 44.14 O ATOM 547 CB GLU A 35 -13.425 -22.066 8.924 1.00 72.01 C ATOM 548 CG GLU A 35 -14.607 -22.766 9.565 1.00 22.24 C ATOM 549 CD GLU A 35 -14.696 -22.488 11.051 1.00 10.13 C ATOM 550 OE1 GLU A 35 -15.509 -21.632 11.455 1.00 32.33 O ATOM 551 OE2 GLU A 35 -13.943 -23.116 11.826 1.00 1.14 O ATOM 0 H GLU A 35 -12.592 -24.210 7.778 1.00 32.33 H new ATOM 0 HA GLU A 35 -14.239 -21.938 6.944 1.00 75.41 H new ATOM 0 HB2 GLU A 35 -12.508 -22.419 9.396 1.00 72.01 H new ATOM 0 HB3 GLU A 35 -13.497 -20.997 9.125 1.00 72.01 H new ATOM 0 HG2 GLU A 35 -15.527 -22.440 9.080 1.00 22.24 H new ATOM 0 HG3 GLU A 35 -14.524 -23.840 9.402 1.00 22.24 H new ATOM 558 N ILE A 36 -12.423 -20.270 6.402 1.00 3.30 N ATOM 559 CA ILE A 36 -11.382 -19.399 5.881 1.00 23.24 C ATOM 560 C ILE A 36 -11.312 -18.111 6.695 1.00 24.21 C ATOM 561 O ILE A 36 -12.342 -17.489 6.977 1.00 64.00 O ATOM 562 CB ILE A 36 -11.632 -19.057 4.394 1.00 61.41 C ATOM 563 CG1 ILE A 36 -11.757 -20.343 3.568 1.00 70.44 C ATOM 564 CG2 ILE A 36 -10.512 -18.176 3.846 1.00 41.34 C ATOM 565 CD1 ILE A 36 -12.093 -20.107 2.111 1.00 21.40 C ATOM 0 H ILE A 36 -13.362 -19.874 6.367 1.00 3.30 H new ATOM 0 HA ILE A 36 -10.434 -19.931 5.960 1.00 23.24 H new ATOM 0 HB ILE A 36 -12.567 -18.502 4.320 1.00 61.41 H new ATOM 0 HG12 ILE A 36 -10.819 -20.895 3.629 1.00 70.44 H new ATOM 0 HG13 ILE A 36 -12.528 -20.974 4.011 1.00 70.44 H new ATOM 0 HG21 ILE A 36 -10.708 -17.948 2.798 1.00 41.34 H new ATOM 0 HG22 ILE A 36 -10.466 -17.249 4.417 1.00 41.34 H new ATOM 0 HG23 ILE A 36 -9.561 -18.702 3.931 1.00 41.34 H new ATOM 0 HD11 ILE A 36 -12.164 -21.064 1.594 1.00 21.40 H new ATOM 0 HD12 ILE A 36 -13.046 -19.583 2.038 1.00 21.40 H new ATOM 0 HD13 ILE A 36 -11.311 -19.503 1.650 1.00 21.40 H new ATOM 577 N ILE A 37 -10.098 -17.713 7.059 1.00 21.32 N ATOM 578 CA ILE A 37 -9.891 -16.493 7.825 1.00 51.52 C ATOM 579 C ILE A 37 -10.010 -15.273 6.919 1.00 25.11 C ATOM 580 O ILE A 37 -9.197 -15.065 6.018 1.00 2.43 O ATOM 581 CB ILE A 37 -8.513 -16.484 8.521 1.00 14.01 C ATOM 582 CG1 ILE A 37 -8.351 -17.731 9.395 1.00 42.42 C ATOM 583 CG2 ILE A 37 -8.348 -15.219 9.356 1.00 33.10 C ATOM 584 CD1 ILE A 37 -6.975 -17.869 10.012 1.00 32.20 C ATOM 0 H ILE A 37 -9.242 -18.220 6.835 1.00 21.32 H new ATOM 0 HA ILE A 37 -10.663 -16.456 8.594 1.00 51.52 H new ATOM 0 HB ILE A 37 -7.736 -16.495 7.757 1.00 14.01 H new ATOM 0 HG12 ILE A 37 -9.095 -17.705 10.191 1.00 42.42 H new ATOM 0 HG13 ILE A 37 -8.559 -18.615 8.793 1.00 42.42 H new ATOM 0 HG21 ILE A 37 -7.372 -15.228 9.840 1.00 33.10 H new ATOM 0 HG22 ILE A 37 -8.425 -14.344 8.710 1.00 33.10 H new ATOM 0 HG23 ILE A 37 -9.129 -15.180 10.115 1.00 33.10 H new ATOM 0 HD11 ILE A 37 -6.937 -18.775 10.617 1.00 32.20 H new ATOM 0 HD12 ILE A 37 -6.226 -17.928 9.222 1.00 32.20 H new ATOM 0 HD13 ILE A 37 -6.770 -17.003 10.642 1.00 32.20 H new ATOM 596 N CYS A 38 -11.034 -14.477 7.150 1.00 21.40 N ATOM 597 CA CYS A 38 -11.278 -13.305 6.336 1.00 20.41 C ATOM 598 C CYS A 38 -10.972 -12.042 7.128 1.00 65.30 C ATOM 599 O CYS A 38 -11.213 -11.983 8.333 1.00 20.43 O ATOM 600 CB CYS A 38 -12.731 -13.299 5.861 1.00 14.34 C ATOM 601 SG CYS A 38 -13.263 -14.863 5.130 1.00 42.21 S ATOM 0 H CYS A 38 -11.713 -14.622 7.898 1.00 21.40 H new ATOM 0 HA CYS A 38 -10.623 -13.332 5.465 1.00 20.41 H new ATOM 0 HB2 CYS A 38 -13.379 -13.064 6.705 1.00 14.34 H new ATOM 0 HB3 CYS A 38 -12.861 -12.503 5.128 1.00 14.34 H new ATOM 0 HG CYS A 38 -12.896 -15.847 5.896 1.00 42.21 H new ATOM 607 N HIS A 39 -10.429 -11.041 6.458 1.00 73.43 N ATOM 608 CA HIS A 39 -10.109 -9.780 7.104 1.00 21.00 C ATOM 609 C HIS A 39 -10.249 -8.655 6.089 1.00 20.53 C ATOM 610 O HIS A 39 -10.168 -8.894 4.884 1.00 74.35 O ATOM 611 CB HIS A 39 -8.677 -9.823 7.663 1.00 74.54 C ATOM 612 CG HIS A 39 -8.355 -8.726 8.636 1.00 52.55 C ATOM 613 ND1 HIS A 39 -7.865 -7.493 8.254 1.00 40.31 N ATOM 614 CD2 HIS A 39 -8.442 -8.687 9.989 1.00 64.53 C ATOM 615 CE1 HIS A 39 -7.667 -6.749 9.325 1.00 21.15 C ATOM 616 NE2 HIS A 39 -8.009 -7.447 10.390 1.00 1.24 N1+ ATOM 0 H HIS A 39 -10.200 -11.077 5.465 1.00 73.43 H new ATOM 0 HA HIS A 39 -10.795 -9.606 7.933 1.00 21.00 H new ATOM 0 HB2 HIS A 39 -8.521 -10.784 8.153 1.00 74.54 H new ATOM 0 HB3 HIS A 39 -7.974 -9.772 6.831 1.00 74.54 H new ATOM 0 HD1 HIS A 39 -7.684 -7.203 7.293 1.00 40.31 H new ATOM 0 HD2 HIS A 39 -8.788 -9.483 10.632 1.00 64.53 H new ATOM 0 HE1 HIS A 39 -7.288 -5.738 9.329 1.00 21.15 H new ATOM 625 N VAL A 40 -10.475 -7.442 6.566 1.00 74.35 N ATOM 626 CA VAL A 40 -10.536 -6.292 5.683 1.00 3.43 C ATOM 627 C VAL A 40 -9.141 -5.976 5.152 1.00 51.54 C ATOM 628 O VAL A 40 -8.165 -5.964 5.907 1.00 32.44 O ATOM 629 CB VAL A 40 -11.130 -5.051 6.392 1.00 52.33 C ATOM 630 CG1 VAL A 40 -12.599 -5.274 6.714 1.00 23.31 C ATOM 631 CG2 VAL A 40 -10.358 -4.717 7.662 1.00 44.11 C ATOM 0 H VAL A 40 -10.618 -7.230 7.553 1.00 74.35 H new ATOM 0 HA VAL A 40 -11.197 -6.542 4.853 1.00 3.43 H new ATOM 0 HB VAL A 40 -11.042 -4.205 5.710 1.00 52.33 H new ATOM 0 HG11 VAL A 40 -13.000 -4.391 7.212 1.00 23.31 H new ATOM 0 HG12 VAL A 40 -13.151 -5.452 5.791 1.00 23.31 H new ATOM 0 HG13 VAL A 40 -12.701 -6.139 7.370 1.00 23.31 H new ATOM 0 HG21 VAL A 40 -10.800 -3.841 8.137 1.00 44.11 H new ATOM 0 HG22 VAL A 40 -10.403 -5.563 8.348 1.00 44.11 H new ATOM 0 HG23 VAL A 40 -9.318 -4.508 7.411 1.00 44.11 H new ATOM 641 N SER A 41 -9.044 -5.776 3.847 1.00 32.02 N ATOM 642 CA SER A 41 -7.765 -5.518 3.214 1.00 1.02 C ATOM 643 C SER A 41 -7.750 -4.135 2.557 1.00 12.41 C ATOM 644 O SER A 41 -8.630 -3.312 2.807 1.00 43.43 O ATOM 645 CB SER A 41 -7.473 -6.616 2.183 1.00 74.54 C ATOM 646 OG SER A 41 -6.137 -6.545 1.709 1.00 63.11 O ATOM 0 H SER A 41 -9.838 -5.788 3.207 1.00 32.02 H new ATOM 0 HA SER A 41 -6.984 -5.529 3.975 1.00 1.02 H new ATOM 0 HB2 SER A 41 -7.649 -7.594 2.632 1.00 74.54 H new ATOM 0 HB3 SER A 41 -8.163 -6.521 1.344 1.00 74.54 H new ATOM 0 HG SER A 41 -5.557 -6.193 2.416 1.00 63.11 H new ATOM 652 N GLY A 42 -6.745 -3.919 1.713 1.00 52.14 N ATOM 653 CA GLY A 42 -6.492 -2.633 1.081 1.00 31.31 C ATOM 654 C GLY A 42 -7.705 -1.988 0.434 1.00 41.14 C ATOM 655 O GLY A 42 -8.439 -1.243 1.081 1.00 5.15 O ATOM 0 H GLY A 42 -6.077 -4.642 1.447 1.00 52.14 H new ATOM 0 HA2 GLY A 42 -6.091 -1.949 1.830 1.00 31.31 H new ATOM 0 HA3 GLY A 42 -5.720 -2.763 0.322 1.00 31.31 H new ATOM 659 N LYS A 43 -7.880 -2.238 -0.861 1.00 65.42 N ATOM 660 CA LYS A 43 -8.899 -1.563 -1.666 1.00 5.40 C ATOM 661 C LYS A 43 -10.279 -1.581 -1.003 1.00 71.04 C ATOM 662 O LYS A 43 -10.999 -0.584 -1.043 1.00 2.15 O ATOM 663 CB LYS A 43 -8.979 -2.207 -3.050 1.00 44.13 C ATOM 664 CG LYS A 43 -9.825 -1.424 -4.042 1.00 65.34 C ATOM 665 CD LYS A 43 -9.862 -2.106 -5.398 1.00 14.12 C ATOM 666 CE LYS A 43 -10.583 -3.441 -5.331 1.00 15.04 C ATOM 667 NZ LYS A 43 -10.421 -4.222 -6.582 1.00 12.22 N1+ ATOM 0 H LYS A 43 -7.321 -2.913 -1.383 1.00 65.42 H new ATOM 0 HA LYS A 43 -8.599 -0.519 -1.757 1.00 5.40 H new ATOM 0 HB2 LYS A 43 -7.971 -2.313 -3.450 1.00 44.13 H new ATOM 0 HB3 LYS A 43 -9.389 -3.212 -2.950 1.00 44.13 H new ATOM 0 HG2 LYS A 43 -10.839 -1.322 -3.657 1.00 65.34 H new ATOM 0 HG3 LYS A 43 -9.423 -0.417 -4.150 1.00 65.34 H new ATOM 0 HD2 LYS A 43 -10.361 -1.458 -6.119 1.00 14.12 H new ATOM 0 HD3 LYS A 43 -8.844 -2.259 -5.757 1.00 14.12 H new ATOM 0 HE2 LYS A 43 -10.199 -4.019 -4.490 1.00 15.04 H new ATOM 0 HE3 LYS A 43 -11.643 -3.272 -5.144 1.00 15.04 H new ATOM 0 HZ1 LYS A 43 -11.293 -4.756 -6.773 1.00 12.22 H new ATOM 0 HZ2 LYS A 43 -10.231 -3.575 -7.373 1.00 12.22 H new ATOM 0 HZ3 LYS A 43 -9.626 -4.884 -6.477 1.00 12.22 H new ATOM 681 N VAL A 44 -10.631 -2.704 -0.380 1.00 35.30 N ATOM 682 CA VAL A 44 -11.930 -2.849 0.281 1.00 54.11 C ATOM 683 C VAL A 44 -12.117 -1.777 1.358 1.00 33.13 C ATOM 684 O VAL A 44 -13.193 -1.192 1.488 1.00 24.31 O ATOM 685 CB VAL A 44 -12.082 -4.247 0.924 1.00 13.03 C ATOM 686 CG1 VAL A 44 -13.454 -4.405 1.569 1.00 32.31 C ATOM 687 CG2 VAL A 44 -11.850 -5.340 -0.108 1.00 43.41 C ATOM 0 H VAL A 44 -10.035 -3.529 -0.318 1.00 35.30 H new ATOM 0 HA VAL A 44 -12.695 -2.729 -0.486 1.00 54.11 H new ATOM 0 HB VAL A 44 -11.327 -4.342 1.704 1.00 13.03 H new ATOM 0 HG11 VAL A 44 -13.535 -5.397 2.014 1.00 32.31 H new ATOM 0 HG12 VAL A 44 -13.581 -3.649 2.343 1.00 32.31 H new ATOM 0 HG13 VAL A 44 -14.228 -4.283 0.812 1.00 32.31 H new ATOM 0 HG21 VAL A 44 -11.961 -6.316 0.364 1.00 43.41 H new ATOM 0 HG22 VAL A 44 -12.578 -5.241 -0.913 1.00 43.41 H new ATOM 0 HG23 VAL A 44 -10.844 -5.247 -0.516 1.00 43.41 H new ATOM 697 N ARG A 45 -11.050 -1.505 2.100 1.00 25.01 N ATOM 698 CA ARG A 45 -11.086 -0.529 3.183 1.00 61.12 C ATOM 699 C ARG A 45 -11.285 0.883 2.630 1.00 22.24 C ATOM 700 O ARG A 45 -12.027 1.680 3.201 1.00 35.21 O ATOM 701 CB ARG A 45 -9.787 -0.625 4.000 1.00 63.21 C ATOM 702 CG ARG A 45 -9.749 0.213 5.276 1.00 25.22 C ATOM 703 CD ARG A 45 -9.317 1.648 5.007 1.00 32.34 C ATOM 704 NE ARG A 45 -8.978 2.359 6.239 1.00 45.32 N ATOM 705 CZ ARG A 45 -8.745 3.668 6.302 1.00 21.13 C ATOM 706 NH1 ARG A 45 -8.873 4.421 5.218 1.00 4.31 N ATOM 707 NH2 ARG A 45 -8.394 4.226 7.452 1.00 52.33 N ATOM 0 H ARG A 45 -10.142 -1.951 1.970 1.00 25.01 H new ATOM 0 HA ARG A 45 -11.930 -0.748 3.837 1.00 61.12 H new ATOM 0 HB2 ARG A 45 -9.623 -1.669 4.267 1.00 63.21 H new ATOM 0 HB3 ARG A 45 -8.955 -0.324 3.363 1.00 63.21 H new ATOM 0 HG2 ARG A 45 -10.736 0.213 5.739 1.00 25.22 H new ATOM 0 HG3 ARG A 45 -9.063 -0.244 5.989 1.00 25.22 H new ATOM 0 HD2 ARG A 45 -8.455 1.648 4.340 1.00 32.34 H new ATOM 0 HD3 ARG A 45 -10.119 2.177 4.492 1.00 32.34 H new ATOM 0 HE ARG A 45 -8.916 1.819 7.102 1.00 45.32 H new ATOM 0 HH11 ARG A 45 -9.151 3.997 4.333 1.00 4.31 H new ATOM 0 HH12 ARG A 45 -8.694 5.424 5.270 1.00 4.31 H new ATOM 0 HH21 ARG A 45 -8.302 3.652 8.290 1.00 52.33 H new ATOM 0 HH22 ARG A 45 -8.216 5.229 7.499 1.00 52.33 H new ATOM 721 N ARG A 46 -10.631 1.186 1.512 1.00 34.52 N ATOM 722 CA ARG A 46 -10.714 2.523 0.926 1.00 53.41 C ATOM 723 C ARG A 46 -12.043 2.733 0.203 1.00 23.31 C ATOM 724 O ARG A 46 -12.577 3.843 0.185 1.00 73.31 O ATOM 725 CB ARG A 46 -9.550 2.788 -0.037 1.00 21.32 C ATOM 726 CG ARG A 46 -8.209 3.006 0.654 1.00 51.45 C ATOM 727 CD ARG A 46 -7.566 1.693 1.067 1.00 23.34 C ATOM 728 NE ARG A 46 -6.544 1.869 2.093 1.00 12.04 N ATOM 729 CZ ARG A 46 -5.450 1.117 2.192 1.00 72.30 C ATOM 730 NH1 ARG A 46 -5.099 0.307 1.201 1.00 64.24 N ATOM 731 NH2 ARG A 46 -4.670 1.223 3.258 1.00 65.35 N ATOM 0 H ARG A 46 -10.042 0.531 0.997 1.00 34.52 H new ATOM 0 HA ARG A 46 -10.650 3.234 1.750 1.00 53.41 H new ATOM 0 HB2 ARG A 46 -9.461 1.945 -0.723 1.00 21.32 H new ATOM 0 HB3 ARG A 46 -9.783 3.666 -0.639 1.00 21.32 H new ATOM 0 HG2 ARG A 46 -7.538 3.544 -0.016 1.00 51.45 H new ATOM 0 HG3 ARG A 46 -8.351 3.633 1.534 1.00 51.45 H new ATOM 0 HD2 ARG A 46 -8.336 1.016 1.438 1.00 23.34 H new ATOM 0 HD3 ARG A 46 -7.120 1.220 0.192 1.00 23.34 H new ATOM 0 HE ARG A 46 -6.676 2.614 2.777 1.00 12.04 H new ATOM 0 HH11 ARG A 46 -5.669 0.258 0.356 1.00 64.24 H new ATOM 0 HH12 ARG A 46 -4.259 -0.266 1.284 1.00 64.24 H new ATOM 0 HH21 ARG A 46 -4.908 1.880 4.001 1.00 65.35 H new ATOM 0 HH22 ARG A 46 -3.831 0.648 3.336 1.00 65.35 H new ATOM 745 N SER A 47 -12.581 1.668 -0.382 1.00 61.23 N ATOM 746 CA SER A 47 -13.851 1.752 -1.096 1.00 2.33 C ATOM 747 C SER A 47 -15.026 1.696 -0.123 1.00 24.43 C ATOM 748 O SER A 47 -16.173 1.943 -0.504 1.00 42.14 O ATOM 749 CB SER A 47 -13.953 0.638 -2.145 1.00 72.52 C ATOM 750 OG SER A 47 -13.605 -0.623 -1.598 1.00 52.34 O ATOM 0 H SER A 47 -12.159 0.739 -0.376 1.00 61.23 H new ATOM 0 HA SER A 47 -13.891 2.711 -1.613 1.00 2.33 H new ATOM 0 HB2 SER A 47 -14.969 0.598 -2.537 1.00 72.52 H new ATOM 0 HB3 SER A 47 -13.296 0.866 -2.984 1.00 72.52 H new ATOM 0 HG SER A 47 -12.641 -0.767 -1.695 1.00 52.34 H new ATOM 756 N LYS A 48 -14.719 1.377 1.138 1.00 61.41 N ATOM 757 CA LYS A 48 -15.705 1.377 2.219 1.00 45.33 C ATOM 758 C LYS A 48 -16.752 0.287 2.012 1.00 54.54 C ATOM 759 O LYS A 48 -17.935 0.470 2.321 1.00 3.24 O ATOM 760 CB LYS A 48 -16.375 2.751 2.332 1.00 74.34 C ATOM 761 CG LYS A 48 -15.399 3.886 2.605 1.00 11.45 C ATOM 762 CD LYS A 48 -16.087 5.238 2.542 1.00 65.13 C ATOM 763 CE LYS A 48 -15.095 6.376 2.698 1.00 60.32 C ATOM 764 NZ LYS A 48 -15.735 7.702 2.498 1.00 4.11 N1+ ATOM 0 H LYS A 48 -13.780 1.112 1.436 1.00 61.41 H new ATOM 0 HA LYS A 48 -15.182 1.165 3.151 1.00 45.33 H new ATOM 0 HB2 LYS A 48 -16.913 2.960 1.407 1.00 74.34 H new ATOM 0 HB3 LYS A 48 -17.115 2.720 3.131 1.00 74.34 H new ATOM 0 HG2 LYS A 48 -14.948 3.751 3.588 1.00 11.45 H new ATOM 0 HG3 LYS A 48 -14.589 3.854 1.876 1.00 11.45 H new ATOM 0 HD2 LYS A 48 -16.609 5.337 1.590 1.00 65.13 H new ATOM 0 HD3 LYS A 48 -16.840 5.301 3.327 1.00 65.13 H new ATOM 0 HE2 LYS A 48 -14.649 6.335 3.692 1.00 60.32 H new ATOM 0 HE3 LYS A 48 -14.285 6.252 1.979 1.00 60.32 H new ATOM 0 HZ1 LYS A 48 -15.024 8.452 2.613 1.00 4.11 H new ATOM 0 HZ2 LYS A 48 -16.139 7.752 1.541 1.00 4.11 H new ATOM 0 HZ3 LYS A 48 -16.491 7.832 3.200 1.00 4.11 H new ATOM 778 N ILE A 49 -16.304 -0.854 1.509 1.00 13.30 N ATOM 779 CA ILE A 49 -17.182 -1.996 1.318 1.00 51.32 C ATOM 780 C ILE A 49 -17.489 -2.641 2.667 1.00 71.42 C ATOM 781 O ILE A 49 -16.634 -2.685 3.553 1.00 2.03 O ATOM 782 CB ILE A 49 -16.558 -3.039 0.362 1.00 24.21 C ATOM 783 CG1 ILE A 49 -16.214 -2.396 -0.986 1.00 60.51 C ATOM 784 CG2 ILE A 49 -17.503 -4.216 0.161 1.00 75.02 C ATOM 785 CD1 ILE A 49 -17.404 -1.788 -1.701 1.00 71.54 C ATOM 0 H ILE A 49 -15.337 -1.012 1.226 1.00 13.30 H new ATOM 0 HA ILE A 49 -18.106 -1.640 0.863 1.00 51.32 H new ATOM 0 HB ILE A 49 -15.638 -3.408 0.815 1.00 24.21 H new ATOM 0 HG12 ILE A 49 -15.464 -1.621 -0.826 1.00 60.51 H new ATOM 0 HG13 ILE A 49 -15.762 -3.149 -1.631 1.00 60.51 H new ATOM 0 HG21 ILE A 49 -17.046 -4.939 -0.515 1.00 75.02 H new ATOM 0 HG22 ILE A 49 -17.701 -4.692 1.121 1.00 75.02 H new ATOM 0 HG23 ILE A 49 -18.440 -3.861 -0.268 1.00 75.02 H new ATOM 0 HD11 ILE A 49 -17.078 -1.354 -2.646 1.00 71.54 H new ATOM 0 HD12 ILE A 49 -18.147 -2.562 -1.895 1.00 71.54 H new ATOM 0 HD13 ILE A 49 -17.845 -1.010 -1.077 1.00 71.54 H new ATOM 797 N ARG A 50 -18.714 -3.117 2.826 1.00 72.11 N ATOM 798 CA ARG A 50 -19.150 -3.670 4.097 1.00 3.44 C ATOM 799 C ARG A 50 -19.482 -5.153 3.969 1.00 15.12 C ATOM 800 O ARG A 50 -20.359 -5.539 3.194 1.00 64.13 O ATOM 801 CB ARG A 50 -20.374 -2.905 4.599 1.00 25.44 C ATOM 802 CG ARG A 50 -20.871 -3.360 5.961 1.00 31.14 C ATOM 803 CD ARG A 50 -22.109 -2.585 6.376 1.00 42.12 C ATOM 804 NE ARG A 50 -22.588 -2.968 7.701 1.00 41.32 N ATOM 805 CZ ARG A 50 -22.865 -2.096 8.669 1.00 51.43 C ATOM 806 NH1 ARG A 50 -22.626 -0.799 8.493 1.00 10.41 N ATOM 807 NH2 ARG A 50 -23.358 -2.521 9.823 1.00 70.53 N ATOM 0 H ARG A 50 -19.422 -3.131 2.092 1.00 72.11 H new ATOM 0 HA ARG A 50 -18.334 -3.566 4.812 1.00 3.44 H new ATOM 0 HB2 ARG A 50 -20.131 -1.843 4.648 1.00 25.44 H new ATOM 0 HB3 ARG A 50 -21.181 -3.014 3.874 1.00 25.44 H new ATOM 0 HG2 ARG A 50 -21.098 -4.426 5.932 1.00 31.14 H new ATOM 0 HG3 ARG A 50 -20.085 -3.222 6.704 1.00 31.14 H new ATOM 0 HD2 ARG A 50 -21.886 -1.518 6.368 1.00 42.12 H new ATOM 0 HD3 ARG A 50 -22.900 -2.751 5.645 1.00 42.12 H new ATOM 0 HE ARG A 50 -22.718 -3.961 7.897 1.00 41.32 H new ATOM 0 HH11 ARG A 50 -22.229 -0.468 7.614 1.00 10.41 H new ATOM 0 HH12 ARG A 50 -22.840 -0.135 9.237 1.00 10.41 H new ATOM 0 HH21 ARG A 50 -23.526 -3.516 9.970 1.00 70.53 H new ATOM 0 HH22 ARG A 50 -23.570 -1.853 10.564 1.00 70.53 H new ATOM 821 N ILE A 51 -18.772 -5.973 4.728 1.00 51.14 N ATOM 822 CA ILE A 51 -19.052 -7.401 4.786 1.00 32.21 C ATOM 823 C ILE A 51 -20.118 -7.668 5.845 1.00 41.52 C ATOM 824 O ILE A 51 -19.908 -7.399 7.031 1.00 51.41 O ATOM 825 CB ILE A 51 -17.787 -8.240 5.112 1.00 24.34 C ATOM 826 CG1 ILE A 51 -16.699 -8.052 4.045 1.00 1.23 C ATOM 827 CG2 ILE A 51 -18.147 -9.715 5.234 1.00 53.13 C ATOM 828 CD1 ILE A 51 -15.912 -6.759 4.166 1.00 62.13 C ATOM 0 H ILE A 51 -17.994 -5.673 5.315 1.00 51.14 H new ATOM 0 HA ILE A 51 -19.404 -7.704 3.800 1.00 32.21 H new ATOM 0 HB ILE A 51 -17.391 -7.887 6.064 1.00 24.34 H new ATOM 0 HG12 ILE A 51 -16.005 -8.891 4.101 1.00 1.23 H new ATOM 0 HG13 ILE A 51 -17.164 -8.088 3.060 1.00 1.23 H new ATOM 0 HG21 ILE A 51 -17.250 -10.291 5.463 1.00 53.13 H new ATOM 0 HG22 ILE A 51 -18.876 -9.847 6.033 1.00 53.13 H new ATOM 0 HG23 ILE A 51 -18.573 -10.065 4.293 1.00 53.13 H new ATOM 0 HD11 ILE A 51 -15.166 -6.711 3.372 1.00 62.13 H new ATOM 0 HD12 ILE A 51 -16.591 -5.910 4.078 1.00 62.13 H new ATOM 0 HD13 ILE A 51 -15.413 -6.726 5.135 1.00 62.13 H new ATOM 840 N ILE A 52 -21.263 -8.178 5.418 1.00 11.52 N ATOM 841 CA ILE A 52 -22.369 -8.420 6.334 1.00 35.50 C ATOM 842 C ILE A 52 -22.525 -9.911 6.620 1.00 62.23 C ATOM 843 O ILE A 52 -22.240 -10.752 5.767 1.00 21.31 O ATOM 844 CB ILE A 52 -23.715 -7.856 5.801 1.00 32.45 C ATOM 845 CG1 ILE A 52 -24.236 -8.651 4.587 1.00 62.22 C ATOM 846 CG2 ILE A 52 -23.573 -6.379 5.450 1.00 10.34 C ATOM 847 CD1 ILE A 52 -23.407 -8.503 3.327 1.00 72.44 C ATOM 0 H ILE A 52 -21.451 -8.432 4.448 1.00 11.52 H new ATOM 0 HA ILE A 52 -22.123 -7.894 7.256 1.00 35.50 H new ATOM 0 HB ILE A 52 -24.450 -7.962 6.599 1.00 32.45 H new ATOM 0 HG12 ILE A 52 -24.280 -9.707 4.854 1.00 62.22 H new ATOM 0 HG13 ILE A 52 -25.256 -8.333 4.373 1.00 62.22 H new ATOM 0 HG21 ILE A 52 -24.525 -6.000 5.078 1.00 10.34 H new ATOM 0 HG22 ILE A 52 -23.282 -5.820 6.339 1.00 10.34 H new ATOM 0 HG23 ILE A 52 -22.810 -6.260 4.681 1.00 10.34 H new ATOM 0 HD11 ILE A 52 -23.850 -9.097 2.528 1.00 72.44 H new ATOM 0 HD12 ILE A 52 -23.382 -7.455 3.029 1.00 72.44 H new ATOM 0 HD13 ILE A 52 -22.391 -8.850 3.517 1.00 72.44 H new ATOM 859 N ILE A 53 -22.966 -10.230 7.828 1.00 24.15 N ATOM 860 CA ILE A 53 -23.194 -11.613 8.220 1.00 13.44 C ATOM 861 C ILE A 53 -24.515 -12.114 7.651 1.00 14.22 C ATOM 862 O ILE A 53 -25.546 -11.454 7.788 1.00 41.32 O ATOM 863 CB ILE A 53 -23.211 -11.775 9.755 1.00 40.13 C ATOM 864 CG1 ILE A 53 -21.921 -11.223 10.367 1.00 43.51 C ATOM 865 CG2 ILE A 53 -23.397 -13.241 10.134 1.00 4.13 C ATOM 866 CD1 ILE A 53 -21.904 -11.277 11.879 1.00 61.54 C ATOM 0 H ILE A 53 -23.174 -9.547 8.556 1.00 24.15 H new ATOM 0 HA ILE A 53 -22.370 -12.203 7.819 1.00 13.44 H new ATOM 0 HB ILE A 53 -24.051 -11.206 10.153 1.00 40.13 H new ATOM 0 HG12 ILE A 53 -21.073 -11.789 9.981 1.00 43.51 H new ATOM 0 HG13 ILE A 53 -21.788 -10.190 10.046 1.00 43.51 H new ATOM 0 HG21 ILE A 53 -23.407 -13.338 11.220 1.00 4.13 H new ATOM 0 HG22 ILE A 53 -24.341 -13.605 9.729 1.00 4.13 H new ATOM 0 HG23 ILE A 53 -22.576 -13.830 9.725 1.00 4.13 H new ATOM 0 HD11 ILE A 53 -20.962 -10.871 12.247 1.00 61.54 H new ATOM 0 HD12 ILE A 53 -22.732 -10.688 12.273 1.00 61.54 H new ATOM 0 HD13 ILE A 53 -22.006 -12.311 12.207 1.00 61.54 H new ATOM 878 N GLY A 54 -24.480 -13.275 7.016 1.00 23.55 N ATOM 879 CA GLY A 54 -25.695 -13.865 6.493 1.00 52.25 C ATOM 880 C GLY A 54 -25.665 -14.015 4.990 1.00 5.32 C ATOM 881 O GLY A 54 -26.436 -14.787 4.423 1.00 53.32 O ATOM 0 H GLY A 54 -23.633 -13.819 6.853 1.00 23.55 H new ATOM 0 HA2 GLY A 54 -25.846 -14.843 6.950 1.00 52.25 H new ATOM 0 HA3 GLY A 54 -26.547 -13.246 6.776 1.00 52.25 H new ATOM 885 N ASP A 55 -24.774 -13.281 4.342 1.00 0.40 N ATOM 886 CA ASP A 55 -24.647 -13.350 2.896 1.00 33.34 C ATOM 887 C ASP A 55 -23.454 -14.221 2.525 1.00 43.23 C ATOM 888 O ASP A 55 -22.517 -14.382 3.315 1.00 63.52 O ATOM 889 CB ASP A 55 -24.502 -11.945 2.289 1.00 41.14 C ATOM 890 CG ASP A 55 -24.574 -11.950 0.768 1.00 24.23 C ATOM 891 OD1 ASP A 55 -25.178 -12.890 0.202 1.00 34.04 O ATOM 892 OD2 ASP A 55 -24.030 -11.015 0.134 1.00 63.01 O ATOM 0 H ASP A 55 -24.130 -12.632 4.794 1.00 0.40 H new ATOM 0 HA ASP A 55 -25.553 -13.797 2.487 1.00 33.34 H new ATOM 0 HB2 ASP A 55 -25.288 -11.301 2.683 1.00 41.14 H new ATOM 0 HB3 ASP A 55 -23.550 -11.515 2.602 1.00 41.14 H new ATOM 897 N ARG A 56 -23.497 -14.779 1.332 1.00 1.42 N ATOM 898 CA ARG A 56 -22.432 -15.636 0.838 1.00 44.41 C ATOM 899 C ARG A 56 -21.511 -14.800 -0.029 1.00 12.14 C ATOM 900 O ARG A 56 -21.877 -14.400 -1.127 1.00 32.02 O ATOM 901 CB ARG A 56 -22.989 -16.853 0.063 1.00 54.22 C ATOM 902 CG ARG A 56 -24.016 -16.528 -1.028 1.00 33.35 C ATOM 903 CD ARG A 56 -25.365 -16.128 -0.442 1.00 44.32 C ATOM 904 NE ARG A 56 -26.406 -15.985 -1.461 1.00 61.25 N ATOM 905 CZ ARG A 56 -27.472 -15.196 -1.327 1.00 31.21 C ATOM 906 NH1 ARG A 56 -27.542 -14.335 -0.318 1.00 33.11 N ATOM 907 NH2 ARG A 56 -28.439 -15.231 -2.235 1.00 73.00 N ATOM 0 H ARG A 56 -24.269 -14.653 0.677 1.00 1.42 H new ATOM 0 HA ARG A 56 -21.874 -16.043 1.681 1.00 44.41 H new ATOM 0 HB2 ARG A 56 -22.154 -17.383 -0.395 1.00 54.22 H new ATOM 0 HB3 ARG A 56 -23.448 -17.537 0.777 1.00 54.22 H new ATOM 0 HG2 ARG A 56 -23.638 -15.719 -1.652 1.00 33.35 H new ATOM 0 HG3 ARG A 56 -24.145 -17.396 -1.675 1.00 33.35 H new ATOM 0 HD2 ARG A 56 -25.676 -16.877 0.286 1.00 44.32 H new ATOM 0 HD3 ARG A 56 -25.257 -15.186 0.096 1.00 44.32 H new ATOM 0 HE ARG A 56 -26.310 -16.520 -2.324 1.00 61.25 H new ATOM 0 HH11 ARG A 56 -26.779 -14.277 0.356 1.00 33.11 H new ATOM 0 HH12 ARG A 56 -28.359 -13.732 -0.218 1.00 33.11 H new ATOM 0 HH21 ARG A 56 -28.366 -15.861 -3.034 1.00 73.00 H new ATOM 0 HH22 ARG A 56 -29.255 -14.628 -2.134 1.00 73.00 H new ATOM 921 N VAL A 57 -20.310 -14.551 0.457 1.00 44.05 N ATOM 922 CA VAL A 57 -19.478 -13.499 -0.101 1.00 73.45 C ATOM 923 C VAL A 57 -18.197 -14.043 -0.715 1.00 14.41 C ATOM 924 O VAL A 57 -17.891 -15.230 -0.604 1.00 63.11 O ATOM 925 CB VAL A 57 -19.122 -12.457 0.983 1.00 11.23 C ATOM 926 CG1 VAL A 57 -20.368 -11.710 1.443 1.00 33.42 C ATOM 927 CG2 VAL A 57 -18.447 -13.132 2.166 1.00 2.42 C ATOM 0 H VAL A 57 -19.889 -15.060 1.234 1.00 44.05 H new ATOM 0 HA VAL A 57 -20.058 -13.026 -0.893 1.00 73.45 H new ATOM 0 HB VAL A 57 -18.429 -11.736 0.549 1.00 11.23 H new ATOM 0 HG11 VAL A 57 -20.094 -10.981 2.206 1.00 33.42 H new ATOM 0 HG12 VAL A 57 -20.818 -11.195 0.594 1.00 33.42 H new ATOM 0 HG13 VAL A 57 -21.085 -12.419 1.858 1.00 33.42 H new ATOM 0 HG21 VAL A 57 -18.203 -12.384 2.921 1.00 2.42 H new ATOM 0 HG22 VAL A 57 -19.121 -13.874 2.595 1.00 2.42 H new ATOM 0 HG23 VAL A 57 -17.533 -13.623 1.832 1.00 2.42 H new ATOM 937 N LEU A 58 -17.450 -13.151 -1.346 1.00 11.53 N ATOM 938 CA LEU A 58 -16.238 -13.518 -2.055 1.00 65.41 C ATOM 939 C LEU A 58 -15.013 -13.071 -1.274 1.00 61.22 C ATOM 940 O LEU A 58 -14.884 -11.895 -0.922 1.00 41.24 O ATOM 941 CB LEU A 58 -16.232 -12.870 -3.446 1.00 73.11 C ATOM 942 CG LEU A 58 -14.926 -13.009 -4.235 1.00 32.11 C ATOM 943 CD1 LEU A 58 -14.676 -14.457 -4.626 1.00 72.02 C ATOM 944 CD2 LEU A 58 -14.952 -12.113 -5.465 1.00 10.25 C ATOM 0 H LEU A 58 -17.667 -12.155 -1.380 1.00 11.53 H new ATOM 0 HA LEU A 58 -16.210 -14.602 -2.162 1.00 65.41 H new ATOM 0 HB2 LEU A 58 -17.039 -13.307 -4.034 1.00 73.11 H new ATOM 0 HB3 LEU A 58 -16.457 -11.809 -3.334 1.00 73.11 H new ATOM 0 HG LEU A 58 -14.104 -12.691 -3.594 1.00 32.11 H new ATOM 0 HD11 LEU A 58 -13.743 -14.527 -5.185 1.00 72.02 H new ATOM 0 HD12 LEU A 58 -14.608 -15.070 -3.727 1.00 72.02 H new ATOM 0 HD13 LEU A 58 -15.498 -14.813 -5.247 1.00 72.02 H new ATOM 0 HD21 LEU A 58 -14.017 -12.223 -6.015 1.00 10.25 H new ATOM 0 HD22 LEU A 58 -15.786 -12.399 -6.106 1.00 10.25 H new ATOM 0 HD23 LEU A 58 -15.071 -11.074 -5.156 1.00 10.25 H new ATOM 956 N VAL A 59 -14.136 -14.019 -0.991 1.00 31.41 N ATOM 957 CA VAL A 59 -12.870 -13.726 -0.348 1.00 31.44 C ATOM 958 C VAL A 59 -11.726 -14.148 -1.265 1.00 4.45 C ATOM 959 O VAL A 59 -11.624 -15.309 -1.669 1.00 33.31 O ATOM 960 CB VAL A 59 -12.748 -14.404 1.043 1.00 30.34 C ATOM 961 CG1 VAL A 59 -12.994 -15.902 0.959 1.00 50.44 C ATOM 962 CG2 VAL A 59 -11.388 -14.114 1.666 1.00 23.32 C ATOM 0 H VAL A 59 -14.281 -15.007 -1.200 1.00 31.41 H new ATOM 0 HA VAL A 59 -12.817 -12.651 -0.174 1.00 31.44 H new ATOM 0 HB VAL A 59 -13.520 -13.980 1.685 1.00 30.34 H new ATOM 0 HG11 VAL A 59 -12.900 -16.342 1.952 1.00 50.44 H new ATOM 0 HG12 VAL A 59 -13.997 -16.085 0.574 1.00 50.44 H new ATOM 0 HG13 VAL A 59 -12.261 -16.354 0.291 1.00 50.44 H new ATOM 0 HG21 VAL A 59 -11.323 -14.598 2.640 1.00 23.32 H new ATOM 0 HG22 VAL A 59 -10.601 -14.498 1.017 1.00 23.32 H new ATOM 0 HG23 VAL A 59 -11.265 -13.038 1.787 1.00 23.32 H new ATOM 972 N GLU A 60 -10.894 -13.189 -1.624 1.00 72.40 N ATOM 973 CA GLU A 60 -9.813 -13.427 -2.560 1.00 41.11 C ATOM 974 C GLU A 60 -8.507 -13.650 -1.810 1.00 63.11 C ATOM 975 O GLU A 60 -7.958 -12.725 -1.208 1.00 34.01 O ATOM 976 CB GLU A 60 -9.696 -12.235 -3.508 1.00 52.54 C ATOM 977 CG GLU A 60 -11.014 -11.882 -4.180 1.00 75.34 C ATOM 978 CD GLU A 60 -10.977 -10.548 -4.893 1.00 22.21 C ATOM 979 OE1 GLU A 60 -10.888 -10.534 -6.138 1.00 52.43 O ATOM 980 OE2 GLU A 60 -11.046 -9.505 -4.209 1.00 75.41 O ATOM 0 H GLU A 60 -10.948 -12.231 -1.278 1.00 72.40 H new ATOM 0 HA GLU A 60 -10.025 -14.324 -3.142 1.00 41.11 H new ATOM 0 HB2 GLU A 60 -9.334 -11.370 -2.953 1.00 52.54 H new ATOM 0 HB3 GLU A 60 -8.952 -12.457 -4.273 1.00 52.54 H new ATOM 0 HG2 GLU A 60 -11.271 -12.663 -4.896 1.00 75.34 H new ATOM 0 HG3 GLU A 60 -11.805 -11.865 -3.430 1.00 75.34 H new ATOM 987 N MET A 61 -8.026 -14.883 -1.829 1.00 4.24 N ATOM 988 CA MET A 61 -6.813 -15.239 -1.103 1.00 22.03 C ATOM 989 C MET A 61 -5.790 -15.886 -2.028 1.00 73.43 C ATOM 990 O MET A 61 -6.141 -16.473 -3.046 1.00 15.13 O ATOM 991 CB MET A 61 -7.145 -16.150 0.090 1.00 51.24 C ATOM 992 CG MET A 61 -8.047 -17.338 -0.237 1.00 74.01 C ATOM 993 SD MET A 61 -7.210 -18.657 -1.143 1.00 60.41 S ATOM 994 CE MET A 61 -5.944 -19.124 0.032 1.00 1.53 C ATOM 0 H MET A 61 -8.455 -15.655 -2.339 1.00 4.24 H new ATOM 0 HA MET A 61 -6.367 -14.324 -0.713 1.00 22.03 H new ATOM 0 HB2 MET A 61 -6.213 -16.526 0.511 1.00 51.24 H new ATOM 0 HB3 MET A 61 -7.625 -15.550 0.863 1.00 51.24 H new ATOM 0 HG2 MET A 61 -8.448 -17.745 0.691 1.00 74.01 H new ATOM 0 HG3 MET A 61 -8.896 -16.988 -0.824 1.00 74.01 H new ATOM 0 HE1 MET A 61 -5.907 -20.210 0.114 1.00 1.53 H new ATOM 0 HE2 MET A 61 -4.977 -18.752 -0.308 1.00 1.53 H new ATOM 0 HE3 MET A 61 -6.176 -18.694 1.007 1.00 1.53 H new ATOM 1004 N SER A 62 -4.522 -15.753 -1.678 1.00 22.02 N ATOM 1005 CA SER A 62 -3.439 -16.259 -2.505 1.00 44.30 C ATOM 1006 C SER A 62 -2.929 -17.595 -1.969 1.00 54.25 C ATOM 1007 O SER A 62 -2.858 -17.804 -0.763 1.00 61.51 O ATOM 1008 CB SER A 62 -2.301 -15.238 -2.559 1.00 40.33 C ATOM 1009 OG SER A 62 -1.220 -15.709 -3.343 1.00 73.33 O ATOM 0 H SER A 62 -4.215 -15.295 -0.820 1.00 22.02 H new ATOM 0 HA SER A 62 -3.819 -16.419 -3.514 1.00 44.30 H new ATOM 0 HB2 SER A 62 -2.671 -14.300 -2.973 1.00 40.33 H new ATOM 0 HB3 SER A 62 -1.953 -15.025 -1.548 1.00 40.33 H new ATOM 0 HG SER A 62 -1.559 -16.051 -4.196 1.00 73.33 H new ATOM 1015 N ILE A 63 -2.553 -18.484 -2.874 1.00 72.44 N ATOM 1016 CA ILE A 63 -2.117 -19.828 -2.510 1.00 54.00 C ATOM 1017 C ILE A 63 -0.658 -19.836 -2.016 1.00 71.04 C ATOM 1018 O ILE A 63 -0.100 -20.891 -1.707 1.00 12.50 O ATOM 1019 CB ILE A 63 -2.286 -20.790 -3.716 1.00 40.51 C ATOM 1020 CG1 ILE A 63 -3.683 -20.629 -4.326 1.00 73.11 C ATOM 1021 CG2 ILE A 63 -2.071 -22.243 -3.307 1.00 70.33 C ATOM 1022 CD1 ILE A 63 -4.810 -20.955 -3.366 1.00 5.41 C ATOM 0 H ILE A 63 -2.540 -18.299 -3.877 1.00 72.44 H new ATOM 0 HA ILE A 63 -2.745 -20.173 -1.688 1.00 54.00 H new ATOM 0 HB ILE A 63 -1.530 -20.529 -4.456 1.00 40.51 H new ATOM 0 HG12 ILE A 63 -3.801 -19.603 -4.675 1.00 73.11 H new ATOM 0 HG13 ILE A 63 -3.764 -21.275 -5.200 1.00 73.11 H new ATOM 0 HG21 ILE A 63 -2.197 -22.888 -4.176 1.00 70.33 H new ATOM 0 HG22 ILE A 63 -1.064 -22.364 -2.909 1.00 70.33 H new ATOM 0 HG23 ILE A 63 -2.798 -22.517 -2.543 1.00 70.33 H new ATOM 0 HD11 ILE A 63 -5.767 -20.818 -3.869 1.00 5.41 H new ATOM 0 HD12 ILE A 63 -4.719 -21.990 -3.035 1.00 5.41 H new ATOM 0 HD13 ILE A 63 -4.756 -20.292 -2.502 1.00 5.41 H new ATOM 1034 N TYR A 64 -0.041 -18.658 -1.927 1.00 64.04 N ATOM 1035 CA TYR A 64 1.364 -18.576 -1.525 1.00 64.13 C ATOM 1036 C TYR A 64 1.545 -18.839 -0.024 1.00 73.40 C ATOM 1037 O TYR A 64 1.678 -19.989 0.397 1.00 64.32 O ATOM 1038 CB TYR A 64 1.969 -17.217 -1.897 1.00 31.42 C ATOM 1039 CG TYR A 64 1.960 -16.917 -3.384 1.00 12.33 C ATOM 1040 CD1 TYR A 64 2.036 -17.936 -4.327 1.00 52.51 C ATOM 1041 CD2 TYR A 64 1.885 -15.608 -3.841 1.00 73.50 C ATOM 1042 CE1 TYR A 64 2.033 -17.656 -5.682 1.00 3.32 C ATOM 1043 CE2 TYR A 64 1.880 -15.322 -5.192 1.00 44.02 C ATOM 1044 CZ TYR A 64 1.954 -16.347 -6.107 1.00 71.52 C ATOM 1045 OH TYR A 64 1.961 -16.061 -7.454 1.00 61.43 O ATOM 0 H TYR A 64 -0.483 -17.760 -2.124 1.00 64.04 H new ATOM 0 HA TYR A 64 1.894 -19.356 -2.071 1.00 64.13 H new ATOM 0 HB2 TYR A 64 1.419 -16.433 -1.376 1.00 31.42 H new ATOM 0 HB3 TYR A 64 2.997 -17.179 -1.537 1.00 31.42 H new ATOM 0 HD1 TYR A 64 2.098 -18.962 -3.997 1.00 52.51 H new ATOM 0 HD2 TYR A 64 1.830 -14.799 -3.127 1.00 73.50 H new ATOM 0 HE1 TYR A 64 2.092 -18.458 -6.403 1.00 3.32 H new ATOM 0 HE2 TYR A 64 1.818 -14.298 -5.529 1.00 44.02 H new ATOM 0 HH TYR A 64 2.627 -15.366 -7.637 1.00 61.43 H new ATOM 1055 N ASP A 65 1.553 -17.780 0.786 1.00 12.04 N ATOM 1056 CA ASP A 65 1.729 -17.941 2.232 1.00 31.40 C ATOM 1057 C ASP A 65 1.019 -16.849 3.028 1.00 34.12 C ATOM 1058 O ASP A 65 0.064 -17.120 3.755 1.00 50.34 O ATOM 1059 CB ASP A 65 3.215 -17.964 2.609 1.00 52.44 C ATOM 1060 CG ASP A 65 3.421 -18.077 4.110 1.00 30.12 C ATOM 1061 OD1 ASP A 65 3.285 -19.189 4.654 1.00 54.33 O ATOM 1062 OD2 ASP A 65 3.702 -17.047 4.759 1.00 44.12 O ATOM 0 H ASP A 65 1.442 -16.815 0.474 1.00 12.04 H new ATOM 0 HA ASP A 65 1.276 -18.898 2.491 1.00 31.40 H new ATOM 0 HB2 ASP A 65 3.702 -18.803 2.112 1.00 52.44 H new ATOM 0 HB3 ASP A 65 3.695 -17.056 2.245 1.00 52.44 H new ATOM 1067 N ARG A 66 1.503 -15.616 2.909 1.00 61.23 N ATOM 1068 CA ARG A 66 0.984 -14.502 3.706 1.00 61.22 C ATOM 1069 C ARG A 66 -0.497 -14.253 3.439 1.00 13.31 C ATOM 1070 O ARG A 66 -1.263 -13.992 4.363 1.00 61.33 O ATOM 1071 CB ARG A 66 1.798 -13.212 3.483 1.00 53.33 C ATOM 1072 CG ARG A 66 1.836 -12.676 2.049 1.00 74.31 C ATOM 1073 CD ARG A 66 2.679 -13.544 1.120 1.00 0.44 C ATOM 1074 NE ARG A 66 3.894 -14.030 1.774 1.00 2.52 N ATOM 1075 CZ ARG A 66 4.774 -14.852 1.205 1.00 1.30 C ATOM 1076 NH1 ARG A 66 4.688 -15.139 -0.089 1.00 21.05 N ATOM 1077 NH2 ARG A 66 5.764 -15.351 1.929 1.00 63.02 N ATOM 0 H ARG A 66 2.254 -15.360 2.269 1.00 61.23 H new ATOM 0 HA ARG A 66 1.091 -14.792 4.751 1.00 61.22 H new ATOM 0 HB2 ARG A 66 1.391 -12.434 4.129 1.00 53.33 H new ATOM 0 HB3 ARG A 66 2.822 -13.393 3.808 1.00 53.33 H new ATOM 0 HG2 ARG A 66 0.819 -12.616 1.661 1.00 74.31 H new ATOM 0 HG3 ARG A 66 2.236 -11.662 2.055 1.00 74.31 H new ATOM 0 HD2 ARG A 66 2.086 -14.393 0.781 1.00 0.44 H new ATOM 0 HD3 ARG A 66 2.950 -12.970 0.234 1.00 0.44 H new ATOM 0 HE ARG A 66 4.079 -13.719 2.728 1.00 2.52 H new ATOM 0 HH11 ARG A 66 3.944 -14.729 -0.654 1.00 21.05 H new ATOM 0 HH12 ARG A 66 5.366 -15.769 -0.518 1.00 21.05 H new ATOM 0 HH21 ARG A 66 5.849 -15.105 2.915 1.00 63.02 H new ATOM 0 HH22 ARG A 66 6.442 -15.981 1.500 1.00 63.02 H new ATOM 1091 N ASN A 67 -0.899 -14.367 2.185 1.00 25.44 N ATOM 1092 CA ASN A 67 -2.290 -14.148 1.813 1.00 15.10 C ATOM 1093 C ASN A 67 -3.019 -15.479 1.682 1.00 54.54 C ATOM 1094 O ASN A 67 -4.062 -15.562 1.039 1.00 4.20 O ATOM 1095 CB ASN A 67 -2.383 -13.371 0.493 1.00 23.23 C ATOM 1096 CG ASN A 67 -1.696 -12.018 0.554 1.00 12.45 C ATOM 1097 OD1 ASN A 67 -1.600 -11.400 1.612 1.00 72.43 O ATOM 1098 ND2 ASN A 67 -1.214 -11.546 -0.586 1.00 32.10 N ATOM 0 H ASN A 67 -0.285 -14.609 1.407 1.00 25.44 H new ATOM 0 HA ASN A 67 -2.763 -13.559 2.599 1.00 15.10 H new ATOM 0 HB2 ASN A 67 -1.936 -13.964 -0.304 1.00 23.23 H new ATOM 0 HB3 ASN A 67 -3.432 -13.229 0.234 1.00 23.23 H new ATOM 0 HD21 ASN A 67 -0.744 -10.641 -0.605 1.00 32.10 H new ATOM 0 HD22 ASN A 67 -1.313 -12.088 -1.445 1.00 32.10 H new ATOM 1105 N ALA A 68 -2.461 -16.519 2.298 1.00 23.12 N ATOM 1106 CA ALA A 68 -3.040 -17.856 2.217 1.00 62.45 C ATOM 1107 C ALA A 68 -3.981 -18.118 3.383 1.00 10.43 C ATOM 1108 O ALA A 68 -5.023 -18.746 3.218 1.00 41.41 O ATOM 1109 CB ALA A 68 -1.943 -18.912 2.173 1.00 55.33 C ATOM 0 H ALA A 68 -1.610 -16.461 2.858 1.00 23.12 H new ATOM 0 HA ALA A 68 -3.619 -17.915 1.295 1.00 62.45 H new ATOM 0 HB1 ALA A 68 -2.394 -19.903 2.113 1.00 55.33 H new ATOM 0 HB2 ALA A 68 -1.313 -18.746 1.299 1.00 55.33 H new ATOM 0 HB3 ALA A 68 -1.336 -18.844 3.076 1.00 55.33 H new ATOM 1115 N LYS A 69 -3.607 -17.643 4.565 1.00 15.40 N ATOM 1116 CA LYS A 69 -4.450 -17.806 5.743 1.00 13.14 C ATOM 1117 C LYS A 69 -5.587 -16.807 5.705 1.00 61.52 C ATOM 1118 O LYS A 69 -6.739 -17.143 5.970 1.00 31.52 O ATOM 1119 CB LYS A 69 -3.652 -17.616 7.039 1.00 13.02 C ATOM 1120 CG LYS A 69 -2.688 -18.746 7.354 1.00 70.22 C ATOM 1121 CD LYS A 69 -1.426 -18.678 6.513 1.00 52.21 C ATOM 1122 CE LYS A 69 -0.451 -19.768 6.918 1.00 35.24 C ATOM 1123 NZ LYS A 69 0.859 -19.640 6.230 1.00 71.31 N1+ ATOM 0 H LYS A 69 -2.732 -17.146 4.733 1.00 15.40 H new ATOM 0 HA LYS A 69 -4.844 -18.822 5.730 1.00 13.14 H new ATOM 0 HB2 LYS A 69 -3.091 -16.684 6.972 1.00 13.02 H new ATOM 0 HB3 LYS A 69 -4.350 -17.509 7.869 1.00 13.02 H new ATOM 0 HG2 LYS A 69 -2.421 -18.709 8.410 1.00 70.22 H new ATOM 0 HG3 LYS A 69 -3.184 -19.702 7.184 1.00 70.22 H new ATOM 0 HD2 LYS A 69 -1.680 -18.784 5.458 1.00 52.21 H new ATOM 0 HD3 LYS A 69 -0.957 -17.701 6.631 1.00 52.21 H new ATOM 0 HE2 LYS A 69 -0.297 -19.732 7.996 1.00 35.24 H new ATOM 0 HE3 LYS A 69 -0.884 -20.742 6.691 1.00 35.24 H new ATOM 0 HZ1 LYS A 69 1.490 -20.407 6.539 1.00 71.31 H new ATOM 0 HZ2 LYS A 69 0.718 -19.701 5.201 1.00 71.31 H new ATOM 0 HZ3 LYS A 69 1.287 -18.722 6.467 1.00 71.31 H new ATOM 1137 N LYS A 70 -5.246 -15.577 5.371 1.00 0.32 N ATOM 1138 CA LYS A 70 -6.222 -14.510 5.298 1.00 43.14 C ATOM 1139 C LYS A 70 -6.158 -13.811 3.949 1.00 24.42 C ATOM 1140 O LYS A 70 -5.079 -13.591 3.398 1.00 4.52 O ATOM 1141 CB LYS A 70 -6.023 -13.521 6.455 1.00 64.42 C ATOM 1142 CG LYS A 70 -4.574 -13.108 6.698 1.00 11.15 C ATOM 1143 CD LYS A 70 -4.159 -11.919 5.840 1.00 3.55 C ATOM 1144 CE LYS A 70 -2.694 -11.561 6.044 1.00 63.42 C ATOM 1145 NZ LYS A 70 -2.367 -11.362 7.482 1.00 54.14 N1+ ATOM 0 H LYS A 70 -4.293 -15.292 5.145 1.00 0.32 H new ATOM 0 HA LYS A 70 -7.218 -14.942 5.396 1.00 43.14 H new ATOM 0 HB2 LYS A 70 -6.613 -12.626 6.256 1.00 64.42 H new ATOM 0 HB3 LYS A 70 -6.418 -13.967 7.368 1.00 64.42 H new ATOM 0 HG2 LYS A 70 -4.442 -12.857 7.750 1.00 11.15 H new ATOM 0 HG3 LYS A 70 -3.918 -13.952 6.487 1.00 11.15 H new ATOM 0 HD2 LYS A 70 -4.334 -12.150 4.789 1.00 3.55 H new ATOM 0 HD3 LYS A 70 -4.781 -11.058 6.085 1.00 3.55 H new ATOM 0 HE2 LYS A 70 -2.066 -12.353 5.635 1.00 63.42 H new ATOM 0 HE3 LYS A 70 -2.462 -10.652 5.490 1.00 63.42 H new ATOM 0 HZ1 LYS A 70 -1.420 -10.942 7.568 1.00 54.14 H new ATOM 0 HZ2 LYS A 70 -3.068 -10.726 7.913 1.00 54.14 H new ATOM 0 HZ3 LYS A 70 -2.384 -12.279 7.972 1.00 54.14 H new ATOM 1159 N GLY A 71 -7.322 -13.482 3.421 1.00 23.12 N ATOM 1160 CA GLY A 71 -7.403 -12.838 2.131 1.00 1.22 C ATOM 1161 C GLY A 71 -8.287 -11.616 2.173 1.00 4.22 C ATOM 1162 O GLY A 71 -8.792 -11.246 3.235 1.00 74.33 O ATOM 0 H GLY A 71 -8.223 -13.652 3.869 1.00 23.12 H new ATOM 0 HA2 GLY A 71 -6.403 -12.553 1.803 1.00 1.22 H new ATOM 0 HA3 GLY A 71 -7.791 -13.543 1.396 1.00 1.22 H new ATOM 1166 N ARG A 72 -8.490 -10.991 1.025 1.00 43.31 N ATOM 1167 CA ARG A 72 -9.322 -9.805 0.951 1.00 64.21 C ATOM 1168 C ARG A 72 -10.760 -10.187 0.645 1.00 62.43 C ATOM 1169 O ARG A 72 -11.083 -10.640 -0.452 1.00 12.23 O ATOM 1170 CB ARG A 72 -8.798 -8.821 -0.100 1.00 32.32 C ATOM 1171 CG ARG A 72 -8.409 -9.460 -1.425 1.00 33.43 C ATOM 1172 CD ARG A 72 -8.122 -8.403 -2.475 1.00 35.01 C ATOM 1173 NE ARG A 72 -7.445 -8.950 -3.650 1.00 33.13 N ATOM 1174 CZ ARG A 72 -7.679 -8.548 -4.901 1.00 12.44 C ATOM 1175 NH1 ARG A 72 -8.663 -7.699 -5.160 1.00 73.12 N ATOM 1176 NH2 ARG A 72 -6.940 -9.021 -5.895 1.00 63.21 N ATOM 0 H ARG A 72 -8.090 -11.286 0.134 1.00 43.31 H new ATOM 0 HA ARG A 72 -9.286 -9.310 1.921 1.00 64.21 H new ATOM 0 HB2 ARG A 72 -9.562 -8.066 -0.286 1.00 32.32 H new ATOM 0 HB3 ARG A 72 -7.930 -8.302 0.307 1.00 32.32 H new ATOM 0 HG2 ARG A 72 -7.529 -10.088 -1.286 1.00 33.43 H new ATOM 0 HG3 ARG A 72 -9.213 -10.111 -1.769 1.00 33.43 H new ATOM 0 HD2 ARG A 72 -9.058 -7.938 -2.783 1.00 35.01 H new ATOM 0 HD3 ARG A 72 -7.505 -7.618 -2.037 1.00 35.01 H new ATOM 0 HE ARG A 72 -6.751 -9.684 -3.505 1.00 33.13 H new ATOM 0 HH11 ARG A 72 -9.247 -7.348 -4.401 1.00 73.12 H new ATOM 0 HH12 ARG A 72 -8.836 -7.396 -6.118 1.00 73.12 H new ATOM 0 HH21 ARG A 72 -6.195 -9.690 -5.703 1.00 63.21 H new ATOM 0 HH22 ARG A 72 -7.117 -8.715 -6.852 1.00 63.21 H new ATOM 1190 N ILE A 73 -11.610 -10.032 1.642 1.00 33.24 N ATOM 1191 CA ILE A 73 -13.026 -10.312 1.499 1.00 51.11 C ATOM 1192 C ILE A 73 -13.773 -9.017 1.199 1.00 1.45 C ATOM 1193 O ILE A 73 -13.549 -8.001 1.859 1.00 10.33 O ATOM 1194 CB ILE A 73 -13.587 -10.981 2.779 1.00 70.52 C ATOM 1195 CG1 ILE A 73 -15.086 -11.263 2.641 1.00 14.15 C ATOM 1196 CG2 ILE A 73 -13.307 -10.122 4.010 1.00 3.31 C ATOM 1197 CD1 ILE A 73 -15.658 -12.027 3.814 1.00 12.13 C ATOM 0 H ILE A 73 -11.340 -9.709 2.571 1.00 33.24 H new ATOM 0 HA ILE A 73 -13.167 -11.007 0.671 1.00 51.11 H new ATOM 0 HB ILE A 73 -13.077 -11.935 2.909 1.00 70.52 H new ATOM 0 HG12 ILE A 73 -15.619 -10.318 2.536 1.00 14.15 H new ATOM 0 HG13 ILE A 73 -15.260 -11.830 1.727 1.00 14.15 H new ATOM 0 HG21 ILE A 73 -13.710 -10.613 4.896 1.00 3.31 H new ATOM 0 HG22 ILE A 73 -12.231 -9.992 4.126 1.00 3.31 H new ATOM 0 HG23 ILE A 73 -13.779 -9.147 3.889 1.00 3.31 H new ATOM 0 HD11 ILE A 73 -16.723 -12.194 3.655 1.00 12.13 H new ATOM 0 HD12 ILE A 73 -15.150 -12.987 3.906 1.00 12.13 H new ATOM 0 HD13 ILE A 73 -15.514 -11.451 4.728 1.00 12.13 H new ATOM 1209 N ILE A 74 -14.629 -9.035 0.186 1.00 50.44 N ATOM 1210 CA ILE A 74 -15.350 -7.831 -0.194 1.00 75.24 C ATOM 1211 C ILE A 74 -16.863 -7.989 -0.005 1.00 14.23 C ATOM 1212 O ILE A 74 -17.436 -7.368 0.889 1.00 75.20 O ATOM 1213 CB ILE A 74 -15.009 -7.413 -1.653 1.00 23.14 C ATOM 1214 CG1 ILE A 74 -15.948 -6.303 -2.142 1.00 73.13 C ATOM 1215 CG2 ILE A 74 -15.044 -8.613 -2.595 1.00 34.10 C ATOM 1216 CD1 ILE A 74 -15.605 -5.773 -3.521 1.00 31.21 C ATOM 0 H ILE A 74 -14.838 -9.858 -0.379 1.00 50.44 H new ATOM 0 HA ILE A 74 -15.023 -7.033 0.472 1.00 75.24 H new ATOM 0 HB ILE A 74 -13.993 -7.019 -1.655 1.00 23.14 H new ATOM 0 HG12 ILE A 74 -16.970 -6.683 -2.153 1.00 73.13 H new ATOM 0 HG13 ILE A 74 -15.922 -5.478 -1.430 1.00 73.13 H new ATOM 0 HG21 ILE A 74 -14.802 -8.288 -3.607 1.00 34.10 H new ATOM 0 HG22 ILE A 74 -14.315 -9.354 -2.267 1.00 34.10 H new ATOM 0 HG23 ILE A 74 -16.040 -9.055 -2.585 1.00 34.10 H new ATOM 0 HD11 ILE A 74 -16.313 -4.992 -3.797 1.00 31.21 H new ATOM 0 HD12 ILE A 74 -14.596 -5.361 -3.512 1.00 31.21 H new ATOM 0 HD13 ILE A 74 -15.659 -6.585 -4.247 1.00 31.21 H new ATOM 1228 N ARG A 75 -17.498 -8.840 -0.813 1.00 54.00 N ATOM 1229 CA ARG A 75 -18.936 -9.092 -0.708 1.00 22.15 C ATOM 1230 C ARG A 75 -19.371 -10.001 -1.856 1.00 1.05 C ATOM 1231 O ARG A 75 -18.571 -10.311 -2.739 1.00 2.23 O ATOM 1232 CB ARG A 75 -19.741 -7.781 -0.754 1.00 23.20 C ATOM 1233 CG ARG A 75 -21.107 -7.873 -0.086 1.00 45.44 C ATOM 1234 CD ARG A 75 -21.883 -6.576 -0.236 1.00 34.21 C ATOM 1235 NE ARG A 75 -23.180 -6.630 0.438 1.00 41.52 N ATOM 1236 CZ ARG A 75 -23.701 -5.618 1.134 1.00 42.44 C ATOM 1237 NH1 ARG A 75 -23.044 -4.470 1.239 1.00 44.34 N ATOM 1238 NH2 ARG A 75 -24.883 -5.759 1.720 1.00 32.24 N ATOM 0 H ARG A 75 -17.035 -9.369 -1.552 1.00 54.00 H new ATOM 0 HA ARG A 75 -19.132 -9.574 0.250 1.00 22.15 H new ATOM 0 HB2 ARG A 75 -19.163 -6.994 -0.270 1.00 23.20 H new ATOM 0 HB3 ARG A 75 -19.875 -7.485 -1.794 1.00 23.20 H new ATOM 0 HG2 ARG A 75 -21.675 -8.692 -0.527 1.00 45.44 H new ATOM 0 HG3 ARG A 75 -20.982 -8.104 0.972 1.00 45.44 H new ATOM 0 HD2 ARG A 75 -21.296 -5.754 0.173 1.00 34.21 H new ATOM 0 HD3 ARG A 75 -22.034 -6.364 -1.295 1.00 34.21 H new ATOM 0 HE ARG A 75 -23.719 -7.494 0.372 1.00 41.52 H new ATOM 0 HH11 ARG A 75 -22.137 -4.358 0.787 1.00 44.34 H new ATOM 0 HH12 ARG A 75 -23.446 -3.699 1.772 1.00 44.34 H new ATOM 0 HH21 ARG A 75 -25.391 -6.640 1.638 1.00 32.24 H new ATOM 0 HH22 ARG A 75 -25.283 -4.987 2.253 1.00 32.24 H new ATOM 1252 N ARG A 76 -20.617 -10.443 -1.828 1.00 52.41 N ATOM 1253 CA ARG A 76 -21.198 -11.165 -2.950 1.00 70.21 C ATOM 1254 C ARG A 76 -21.608 -10.184 -4.037 1.00 22.41 C ATOM 1255 O ARG A 76 -22.316 -9.212 -3.764 1.00 11.04 O ATOM 1256 CB ARG A 76 -22.420 -11.950 -2.485 1.00 44.32 C ATOM 1257 CG ARG A 76 -23.214 -12.620 -3.598 1.00 61.35 C ATOM 1258 CD ARG A 76 -22.461 -13.773 -4.254 1.00 61.12 C ATOM 1259 NE ARG A 76 -23.334 -14.525 -5.156 1.00 55.21 N ATOM 1260 CZ ARG A 76 -22.941 -15.537 -5.932 1.00 15.41 C ATOM 1261 NH1 ARG A 76 -21.665 -15.894 -5.997 1.00 32.53 N ATOM 1262 NH2 ARG A 76 -23.843 -16.185 -6.658 1.00 54.44 N ATOM 0 H ARG A 76 -21.249 -10.314 -1.038 1.00 52.41 H new ATOM 0 HA ARG A 76 -20.456 -11.857 -3.349 1.00 70.21 H new ATOM 0 HB2 ARG A 76 -22.095 -12.715 -1.779 1.00 44.32 H new ATOM 0 HB3 ARG A 76 -23.082 -11.275 -1.942 1.00 44.32 H new ATOM 0 HG2 ARG A 76 -24.155 -12.991 -3.193 1.00 61.35 H new ATOM 0 HG3 ARG A 76 -23.464 -11.878 -4.356 1.00 61.35 H new ATOM 0 HD2 ARG A 76 -21.607 -13.385 -4.809 1.00 61.12 H new ATOM 0 HD3 ARG A 76 -22.067 -14.438 -3.486 1.00 61.12 H new ATOM 0 HE ARG A 76 -24.317 -14.255 -5.195 1.00 55.21 H new ATOM 0 HH11 ARG A 76 -20.967 -15.392 -5.448 1.00 32.53 H new ATOM 0 HH12 ARG A 76 -21.382 -16.670 -6.596 1.00 32.53 H new ATOM 0 HH21 ARG A 76 -24.824 -15.908 -6.619 1.00 54.44 H new ATOM 0 HH22 ARG A 76 -23.556 -16.960 -7.255 1.00 54.44 H new ATOM 1276 N LEU A 77 -21.153 -10.428 -5.257 1.00 13.52 N ATOM 1277 CA LEU A 77 -21.571 -9.620 -6.390 1.00 14.51 C ATOM 1278 C LEU A 77 -23.078 -9.755 -6.577 1.00 0.42 C ATOM 1279 O LEU A 77 -23.602 -10.863 -6.706 1.00 24.12 O ATOM 1280 CB LEU A 77 -20.827 -10.022 -7.677 1.00 23.43 C ATOM 1281 CG LEU A 77 -21.153 -11.411 -8.249 1.00 12.45 C ATOM 1282 CD1 LEU A 77 -20.642 -11.526 -9.677 1.00 24.33 C ATOM 1283 CD2 LEU A 77 -20.549 -12.515 -7.393 1.00 73.45 C ATOM 0 H LEU A 77 -20.498 -11.175 -5.486 1.00 13.52 H new ATOM 0 HA LEU A 77 -21.321 -8.579 -6.185 1.00 14.51 H new ATOM 0 HB2 LEU A 77 -21.043 -9.278 -8.443 1.00 23.43 H new ATOM 0 HB3 LEU A 77 -19.756 -9.976 -7.481 1.00 23.43 H new ATOM 0 HG LEU A 77 -22.237 -11.529 -8.244 1.00 12.45 H new ATOM 0 HD11 LEU A 77 -20.880 -12.515 -10.070 1.00 24.33 H new ATOM 0 HD12 LEU A 77 -21.118 -10.765 -10.296 1.00 24.33 H new ATOM 0 HD13 LEU A 77 -19.562 -11.380 -9.690 1.00 24.33 H new ATOM 0 HD21 LEU A 77 -20.797 -13.485 -7.823 1.00 73.45 H new ATOM 0 HD22 LEU A 77 -19.466 -12.399 -7.360 1.00 73.45 H new ATOM 0 HD23 LEU A 77 -20.951 -12.453 -6.382 1.00 73.45 H new ATOM 1295 N LYS A 78 -23.777 -8.636 -6.561 1.00 61.10 N ATOM 1296 CA LYS A 78 -25.224 -8.657 -6.665 1.00 55.30 C ATOM 1297 C LYS A 78 -25.637 -8.870 -8.117 1.00 44.14 C ATOM 1298 O LYS A 78 -24.834 -8.671 -9.030 1.00 12.13 O ATOM 1299 CB LYS A 78 -25.815 -7.363 -6.105 1.00 73.21 C ATOM 1300 CG LYS A 78 -26.866 -7.568 -5.013 1.00 40.42 C ATOM 1301 CD LYS A 78 -26.286 -8.136 -3.714 1.00 55.34 C ATOM 1302 CE LYS A 78 -26.041 -9.637 -3.793 1.00 41.54 C ATOM 1303 NZ LYS A 78 -25.718 -10.228 -2.461 1.00 15.23 N1+ ATOM 0 H LYS A 78 -23.369 -7.705 -6.477 1.00 61.10 H new ATOM 0 HA LYS A 78 -25.614 -9.485 -6.074 1.00 55.30 H new ATOM 0 HB2 LYS A 78 -25.006 -6.753 -5.703 1.00 73.21 H new ATOM 0 HB3 LYS A 78 -26.264 -6.799 -6.923 1.00 73.21 H new ATOM 0 HG2 LYS A 78 -27.350 -6.615 -4.801 1.00 40.42 H new ATOM 0 HG3 LYS A 78 -27.638 -8.242 -5.383 1.00 40.42 H new ATOM 0 HD2 LYS A 78 -25.348 -7.629 -3.486 1.00 55.34 H new ATOM 0 HD3 LYS A 78 -26.970 -7.925 -2.892 1.00 55.34 H new ATOM 0 HE2 LYS A 78 -26.926 -10.127 -4.201 1.00 41.54 H new ATOM 0 HE3 LYS A 78 -25.221 -9.833 -4.484 1.00 41.54 H new ATOM 0 HZ1 LYS A 78 -25.559 -11.251 -2.564 1.00 15.23 H new ATOM 0 HZ2 LYS A 78 -24.859 -9.781 -2.082 1.00 15.23 H new ATOM 0 HZ3 LYS A 78 -26.510 -10.065 -1.807 1.00 15.23 H new ATOM 1317 N GLY A 79 -26.877 -9.295 -8.326 1.00 54.50 N ATOM 1318 CA GLY A 79 -27.328 -9.644 -9.661 1.00 75.05 C ATOM 1319 C GLY A 79 -26.792 -10.992 -10.100 1.00 41.14 C ATOM 1320 O GLY A 79 -27.556 -11.940 -10.286 1.00 53.51 O ATOM 0 H GLY A 79 -27.579 -9.405 -7.595 1.00 54.50 H new ATOM 0 HA2 GLY A 79 -28.418 -9.661 -9.684 1.00 75.05 H new ATOM 0 HA3 GLY A 79 -27.006 -8.877 -10.366 1.00 75.05 H new ATOM 1324 N THR A 80 -25.471 -11.058 -10.259 1.00 12.31 N ATOM 1325 CA THR A 80 -24.763 -12.290 -10.589 1.00 2.32 C ATOM 1326 C THR A 80 -25.187 -12.843 -11.953 1.00 31.05 C ATOM 1327 O THR A 80 -26.189 -13.549 -12.077 1.00 75.30 O ATOM 1328 CB THR A 80 -24.971 -13.364 -9.504 1.00 43.22 C ATOM 1329 OG1 THR A 80 -24.939 -12.759 -8.200 1.00 10.15 O ATOM 1330 CG2 THR A 80 -23.884 -14.423 -9.590 1.00 51.43 C ATOM 0 H THR A 80 -24.858 -10.249 -10.161 1.00 12.31 H new ATOM 0 HA THR A 80 -23.704 -12.038 -10.636 1.00 2.32 H new ATOM 0 HB THR A 80 -25.942 -13.833 -9.667 1.00 43.22 H new ATOM 0 HG1 THR A 80 -24.304 -12.013 -8.201 1.00 10.15 H new ATOM 0 HG21 THR A 80 -24.046 -15.174 -8.817 1.00 51.43 H new ATOM 0 HG22 THR A 80 -23.916 -14.899 -10.570 1.00 51.43 H new ATOM 0 HG23 THR A 80 -22.910 -13.957 -9.445 1.00 51.43 H new ATOM 1338 N SER A 81 -24.424 -12.506 -12.980 1.00 52.33 N ATOM 1339 CA SER A 81 -24.713 -12.961 -14.326 1.00 24.44 C ATOM 1340 C SER A 81 -23.993 -14.275 -14.635 1.00 24.51 C ATOM 1341 O SER A 81 -22.975 -14.293 -15.330 1.00 10.33 O ATOM 1342 CB SER A 81 -24.323 -11.870 -15.325 1.00 55.13 C ATOM 1343 OG SER A 81 -23.155 -11.187 -14.894 1.00 42.34 O ATOM 0 H SER A 81 -23.596 -11.916 -12.904 1.00 52.33 H new ATOM 0 HA SER A 81 -25.782 -13.155 -14.411 1.00 24.44 H new ATOM 0 HB2 SER A 81 -24.150 -12.313 -16.306 1.00 55.13 H new ATOM 0 HB3 SER A 81 -25.144 -11.162 -15.436 1.00 55.13 H new ATOM 0 HG SER A 81 -22.921 -10.495 -15.547 1.00 42.34 H new ATOM 1349 N ASP A 82 -24.515 -15.369 -14.085 1.00 53.33 N ATOM 1350 CA ASP A 82 -23.956 -16.695 -14.335 1.00 13.42 C ATOM 1351 C ASP A 82 -24.374 -17.185 -15.706 1.00 5.22 C ATOM 1352 O ASP A 82 -23.547 -17.648 -16.493 1.00 31.11 O ATOM 1353 CB ASP A 82 -24.442 -17.721 -13.304 1.00 62.13 C ATOM 1354 CG ASP A 82 -24.154 -17.336 -11.874 1.00 24.02 C ATOM 1355 OD1 ASP A 82 -23.053 -17.651 -11.371 1.00 21.43 O ATOM 1356 OD2 ASP A 82 -25.043 -16.743 -11.236 1.00 51.44 O ATOM 0 H ASP A 82 -25.324 -15.363 -13.464 1.00 53.33 H new ATOM 0 HA ASP A 82 -22.872 -16.601 -14.267 1.00 13.42 H new ATOM 0 HB2 ASP A 82 -25.517 -17.860 -13.423 1.00 62.13 H new ATOM 0 HB3 ASP A 82 -23.972 -18.682 -13.513 1.00 62.13 H new ATOM 1361 N ARG A 83 -25.674 -17.069 -15.980 1.00 62.33 N ATOM 1362 CA ARG A 83 -26.282 -17.641 -17.178 1.00 52.34 C ATOM 1363 C ARG A 83 -26.113 -19.157 -17.180 1.00 44.23 C ATOM 1364 O ARG A 83 -26.905 -19.881 -16.576 1.00 11.32 O ATOM 1365 CB ARG A 83 -25.686 -17.041 -18.460 1.00 12.13 C ATOM 1366 CG ARG A 83 -25.992 -15.568 -18.660 1.00 53.13 C ATOM 1367 CD ARG A 83 -25.313 -15.029 -19.908 1.00 24.05 C ATOM 1368 NE ARG A 83 -25.718 -13.657 -20.198 1.00 53.10 N ATOM 1369 CZ ARG A 83 -25.007 -12.806 -20.938 1.00 22.34 C ATOM 1370 NH1 ARG A 83 -23.838 -13.175 -21.447 1.00 45.34 N ATOM 1371 NH2 ARG A 83 -25.472 -11.585 -21.155 1.00 13.55 N ATOM 0 H ARG A 83 -26.333 -16.576 -15.377 1.00 62.33 H new ATOM 0 HA ARG A 83 -27.344 -17.396 -17.160 1.00 52.34 H new ATOM 0 HB2 ARG A 83 -24.605 -17.176 -18.442 1.00 12.13 H new ATOM 0 HB3 ARG A 83 -26.063 -17.598 -19.318 1.00 12.13 H new ATOM 0 HG2 ARG A 83 -27.070 -15.425 -18.739 1.00 53.13 H new ATOM 0 HG3 ARG A 83 -25.659 -15.003 -17.789 1.00 53.13 H new ATOM 0 HD2 ARG A 83 -24.231 -15.069 -19.779 1.00 24.05 H new ATOM 0 HD3 ARG A 83 -25.556 -15.667 -20.758 1.00 24.05 H new ATOM 0 HE ARG A 83 -26.602 -13.328 -19.809 1.00 53.10 H new ATOM 0 HH11 ARG A 83 -23.479 -14.114 -21.273 1.00 45.34 H new ATOM 0 HH12 ARG A 83 -23.298 -12.520 -22.012 1.00 45.34 H new ATOM 0 HH21 ARG A 83 -26.368 -11.302 -20.757 1.00 13.55 H new ATOM 0 HH22 ARG A 83 -24.934 -10.928 -21.720 1.00 13.55 H new ATOM 1385 N THR A 84 -25.060 -19.618 -17.837 1.00 51.42 N ATOM 1386 CA THR A 84 -24.727 -21.033 -17.913 1.00 74.22 C ATOM 1387 C THR A 84 -23.279 -21.167 -18.374 1.00 55.41 C ATOM 1388 O THR A 84 -22.509 -21.943 -17.816 1.00 54.52 O ATOM 1389 CB THR A 84 -25.659 -21.800 -18.888 1.00 64.34 C ATOM 1390 OG1 THR A 84 -27.029 -21.663 -18.481 1.00 14.40 O ATOM 1391 CG2 THR A 84 -25.301 -23.278 -18.941 1.00 33.03 C ATOM 0 H THR A 84 -24.406 -19.015 -18.337 1.00 51.42 H new ATOM 0 HA THR A 84 -24.862 -21.472 -16.924 1.00 74.22 H new ATOM 0 HB THR A 84 -25.525 -21.368 -19.880 1.00 64.34 H new ATOM 0 HG1 THR A 84 -27.065 -21.334 -17.558 1.00 14.40 H new ATOM 0 HG21 THR A 84 -25.971 -23.790 -19.632 1.00 33.03 H new ATOM 0 HG22 THR A 84 -24.272 -23.391 -19.282 1.00 33.03 H new ATOM 0 HG23 THR A 84 -25.404 -23.713 -17.947 1.00 33.03 H new ATOM 1399 N ILE A 85 -22.943 -20.375 -19.407 1.00 72.31 N ATOM 1400 CA ILE A 85 -21.583 -20.251 -19.972 1.00 40.35 C ATOM 1401 C ILE A 85 -20.931 -21.598 -20.297 1.00 23.10 C ATOM 1402 O ILE A 85 -19.714 -21.681 -20.461 1.00 71.53 O ATOM 1403 CB ILE A 85 -20.629 -19.396 -19.089 1.00 23.13 C ATOM 1404 CG1 ILE A 85 -20.350 -20.053 -17.731 1.00 72.20 C ATOM 1405 CG2 ILE A 85 -21.209 -18.003 -18.895 1.00 43.34 C ATOM 1406 CD1 ILE A 85 -19.357 -19.294 -16.875 1.00 32.22 C ATOM 0 H ILE A 85 -23.625 -19.787 -19.886 1.00 72.31 H new ATOM 0 HA ILE A 85 -21.734 -19.723 -20.913 1.00 40.35 H new ATOM 0 HB ILE A 85 -19.675 -19.323 -19.612 1.00 23.13 H new ATOM 0 HG12 ILE A 85 -21.288 -20.148 -17.184 1.00 72.20 H new ATOM 0 HG13 ILE A 85 -19.975 -21.063 -17.897 1.00 72.20 H new ATOM 0 HG21 ILE A 85 -20.535 -17.411 -18.276 1.00 43.34 H new ATOM 0 HG22 ILE A 85 -21.328 -17.520 -19.865 1.00 43.34 H new ATOM 0 HG23 ILE A 85 -22.180 -18.078 -18.405 1.00 43.34 H new ATOM 0 HD11 ILE A 85 -19.212 -19.821 -15.932 1.00 32.22 H new ATOM 0 HD12 ILE A 85 -18.405 -19.222 -17.400 1.00 32.22 H new ATOM 0 HD13 ILE A 85 -19.739 -18.293 -16.676 1.00 32.22 H new ATOM 1418 N SER A 86 -21.738 -22.633 -20.442 1.00 51.55 N ATOM 1419 CA SER A 86 -21.242 -23.945 -20.808 1.00 22.45 C ATOM 1420 C SER A 86 -22.124 -24.552 -21.891 1.00 35.12 C ATOM 1421 O SER A 86 -23.302 -24.203 -22.000 1.00 62.23 O ATOM 1422 CB SER A 86 -21.189 -24.844 -19.570 1.00 75.24 C ATOM 1423 OG SER A 86 -22.410 -24.801 -18.853 1.00 42.44 O ATOM 0 H SER A 86 -22.748 -22.588 -20.310 1.00 51.55 H new ATOM 0 HA SER A 86 -20.232 -23.853 -21.207 1.00 22.45 H new ATOM 0 HB2 SER A 86 -20.977 -25.870 -19.871 1.00 75.24 H new ATOM 0 HB3 SER A 86 -20.372 -24.527 -18.922 1.00 75.24 H new ATOM 0 HG SER A 86 -22.475 -23.952 -18.368 1.00 42.44 H new ATOM 1429 N LYS A 87 -21.549 -25.430 -22.701 1.00 71.11 N ATOM 1430 CA LYS A 87 -22.282 -26.069 -23.781 1.00 32.12 C ATOM 1431 C LYS A 87 -23.358 -26.993 -23.217 1.00 12.21 C ATOM 1432 O LYS A 87 -24.541 -26.835 -23.584 1.00 40.32 O ATOM 1433 CB LYS A 87 -21.321 -26.849 -24.681 1.00 44.11 C ATOM 1434 CG LYS A 87 -21.916 -27.221 -26.028 1.00 33.01 C ATOM 1435 CD LYS A 87 -20.888 -27.878 -26.937 1.00 2.33 C ATOM 1436 CE LYS A 87 -21.004 -29.395 -26.931 1.00 43.30 C ATOM 1437 NZ LYS A 87 -20.734 -29.993 -25.598 1.00 41.02 N1+ ATOM 1438 OXT LYS A 87 -23.021 -27.852 -22.373 1.00 0.00 O ATOM 0 H LYS A 87 -20.573 -25.716 -22.629 1.00 71.11 H new ATOM 0 HA LYS A 87 -22.769 -25.299 -24.379 1.00 32.12 H new ATOM 0 HB2 LYS A 87 -20.423 -26.253 -24.842 1.00 44.11 H new ATOM 0 HB3 LYS A 87 -21.012 -27.759 -24.166 1.00 44.11 H new ATOM 0 HG2 LYS A 87 -22.756 -27.899 -25.879 1.00 33.01 H new ATOM 0 HG3 LYS A 87 -22.310 -26.327 -26.511 1.00 33.01 H new ATOM 0 HD2 LYS A 87 -21.017 -27.509 -27.955 1.00 2.33 H new ATOM 0 HD3 LYS A 87 -19.886 -27.590 -26.618 1.00 2.33 H new ATOM 0 HE2 LYS A 87 -22.006 -29.678 -27.254 1.00 43.30 H new ATOM 0 HE3 LYS A 87 -20.305 -29.810 -27.657 1.00 43.30 H new ATOM 0 HZ1 LYS A 87 -20.694 -31.029 -25.684 1.00 41.02 H new ATOM 0 HZ2 LYS A 87 -19.825 -29.640 -25.237 1.00 41.02 H new ATOM 0 HZ3 LYS A 87 -21.494 -29.730 -24.939 1.00 41.02 H new TER 1452 LYS A 87