USER MOD reduce.3.24.130724 H: found=0, std=0, add=937, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 937 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 41 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET CE :methyl -175:sc= 0 (180deg=-0.0173) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ 151:sc= 1.38 (180deg=0.374) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 ASN : amide:sc= -0.0668 X(o=-0.067,f=0) USER MOD Single : A 17 LYS NZ :NH3+ -137:sc= 0.714 (180deg=-0.423) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 GLN : amide:sc= 0.36 X(o=0.36,f=-0.023) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 GLN : amide:sc= -0.0181 X(o=-0.018,f=-0.018) USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 ASN : amide:sc= 0 X(o=0,f=-0.44) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 THR OG1 : rot 32:sc= 0.141 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 LYS NZ :NH3+ -171:sc= -0.0445 (180deg=-0.169) USER MOD Single : A 69 SER OG : rot 71:sc= 1.2 USER MOD Single : A 72 LYS NZ :NH3+ 147:sc= -1.31 (180deg=-1.85) USER MOD Single : A 84 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0482) USER MOD Single : A 88 ASN : amide:sc= -0.455 X(o=-0.45,f=-0.047) USER MOD Single : A 90 THR OG1 : rot 71:sc= 0.0309 USER MOD Single : A 92 THR OG1 : rot 81:sc= 0.225 USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 THR OG1 : rot -140:sc= 0.661 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 102 SER OG : rot 92:sc= 0.593 USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 107 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 108 HIS : no HD1:sc= -0.18 X(o=-0.18,f=-0.0059) USER MOD Single : A 109 HIS : no HD1:sc= 0 X(o=0,f=-0.01) USER MOD Single : A 110 HIS : no HD1:sc= -0.02 X(o=-0.02,f=-0.4) USER MOD Single : A 111 HIS : no HD1:sc= 0 X(o=0,f=-0.18) USER MOD Single : A 112 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -5.991 -4.289 20.123 1.00 14.52 N ATOM 2 CA MET A 1 -5.127 -3.601 19.141 1.00 52.02 C ATOM 3 C MET A 1 -3.833 -4.404 18.900 1.00 14.45 C ATOM 4 O MET A 1 -3.042 -4.606 19.827 1.00 32.44 O ATOM 5 CB MET A 1 -4.788 -2.157 19.617 1.00 42.21 C ATOM 6 CG MET A 1 -3.953 -1.328 18.622 1.00 21.52 C ATOM 7 SD MET A 1 -3.492 0.312 19.245 1.00 74.51 S ATOM 8 CE MET A 1 -5.062 1.182 19.257 1.00 11.25 C ATOM 0 H1 MET A 1 -6.857 -3.733 20.272 1.00 14.52 H new ATOM 0 H2 MET A 1 -6.242 -5.232 19.764 1.00 14.52 H new ATOM 0 H3 MET A 1 -5.482 -4.386 21.025 1.00 14.52 H new ATOM 0 HA MET A 1 -5.673 -3.532 18.200 1.00 52.02 H new ATOM 0 HB2 MET A 1 -5.719 -1.628 19.817 1.00 42.21 H new ATOM 0 HB3 MET A 1 -4.247 -2.218 20.561 1.00 42.21 H new ATOM 0 HG2 MET A 1 -3.047 -1.880 18.374 1.00 21.52 H new ATOM 0 HG3 MET A 1 -4.518 -1.210 17.697 1.00 21.52 H new ATOM 0 HE1 MET A 1 -4.899 2.223 19.534 1.00 11.25 H new ATOM 0 HE2 MET A 1 -5.511 1.137 18.265 1.00 11.25 H new ATOM 0 HE3 MET A 1 -5.731 0.715 19.979 1.00 11.25 H new ATOM 20 N LEU A 2 -3.654 -4.883 17.656 1.00 62.22 N ATOM 21 CA LEU A 2 -2.402 -5.505 17.176 1.00 3.41 C ATOM 22 C LEU A 2 -1.807 -4.689 16.015 1.00 24.23 C ATOM 23 O LEU A 2 -2.497 -3.873 15.405 1.00 34.24 O ATOM 24 CB LEU A 2 -2.639 -7.003 16.779 1.00 34.33 C ATOM 25 CG LEU A 2 -3.838 -7.333 15.806 1.00 22.42 C ATOM 26 CD1 LEU A 2 -3.619 -6.826 14.361 1.00 22.12 C ATOM 27 CD2 LEU A 2 -4.149 -8.844 15.796 1.00 30.24 C ATOM 0 H LEU A 2 -4.384 -4.850 16.944 1.00 62.22 H new ATOM 0 HA LEU A 2 -1.675 -5.500 17.988 1.00 3.41 H new ATOM 0 HB2 LEU A 2 -1.724 -7.375 16.319 1.00 34.33 H new ATOM 0 HB3 LEU A 2 -2.788 -7.572 17.697 1.00 34.33 H new ATOM 0 HG LEU A 2 -4.695 -6.790 16.204 1.00 22.42 H new ATOM 0 HD11 LEU A 2 -4.482 -7.088 13.749 1.00 22.12 H new ATOM 0 HD12 LEU A 2 -3.496 -5.743 14.370 1.00 22.12 H new ATOM 0 HD13 LEU A 2 -2.725 -7.289 13.944 1.00 22.12 H new ATOM 0 HD21 LEU A 2 -4.979 -9.040 15.117 1.00 30.24 H new ATOM 0 HD22 LEU A 2 -3.269 -9.394 15.462 1.00 30.24 H new ATOM 0 HD23 LEU A 2 -4.419 -9.167 16.802 1.00 30.24 H new ATOM 39 N THR A 3 -0.516 -4.882 15.748 1.00 34.41 N ATOM 40 CA THR A 3 0.137 -4.322 14.561 1.00 73.22 C ATOM 41 C THR A 3 0.432 -5.444 13.546 1.00 2.45 C ATOM 42 O THR A 3 0.947 -6.508 13.919 1.00 42.41 O ATOM 43 CB THR A 3 1.452 -3.574 14.947 1.00 4.32 C ATOM 44 OG1 THR A 3 1.176 -2.616 15.989 1.00 31.11 O ATOM 45 CG2 THR A 3 2.065 -2.838 13.746 1.00 32.43 C ATOM 0 H THR A 3 0.106 -5.428 16.344 1.00 34.41 H new ATOM 0 HA THR A 3 -0.538 -3.598 14.104 1.00 73.22 H new ATOM 0 HB THR A 3 2.166 -4.322 15.292 1.00 4.32 H new ATOM 0 HG1 THR A 3 2.003 -2.149 16.231 1.00 31.11 H new ATOM 0 HG21 THR A 3 2.978 -2.331 14.058 1.00 32.43 H new ATOM 0 HG22 THR A 3 2.299 -3.556 12.960 1.00 32.43 H new ATOM 0 HG23 THR A 3 1.354 -2.104 13.367 1.00 32.43 H new ATOM 53 N VAL A 4 0.082 -5.211 12.270 1.00 30.05 N ATOM 54 CA VAL A 4 0.411 -6.128 11.156 1.00 1.13 C ATOM 55 C VAL A 4 1.280 -5.386 10.121 1.00 13.34 C ATOM 56 O VAL A 4 1.016 -4.224 9.803 1.00 54.24 O ATOM 57 CB VAL A 4 -0.886 -6.717 10.466 1.00 12.11 C ATOM 58 CG1 VAL A 4 -1.794 -5.606 9.898 1.00 61.14 C ATOM 59 CG2 VAL A 4 -0.519 -7.753 9.365 1.00 41.51 C ATOM 0 H VAL A 4 -0.437 -4.383 11.978 1.00 30.05 H new ATOM 0 HA VAL A 4 0.965 -6.972 11.567 1.00 1.13 H new ATOM 0 HB VAL A 4 -1.452 -7.233 11.241 1.00 12.11 H new ATOM 0 HG11 VAL A 4 -2.672 -6.055 9.434 1.00 61.14 H new ATOM 0 HG12 VAL A 4 -2.109 -4.945 10.706 1.00 61.14 H new ATOM 0 HG13 VAL A 4 -1.244 -5.032 9.153 1.00 61.14 H new ATOM 0 HG21 VAL A 4 -1.431 -8.139 8.910 1.00 41.51 H new ATOM 0 HG22 VAL A 4 0.092 -7.271 8.601 1.00 41.51 H new ATOM 0 HG23 VAL A 4 0.040 -8.575 9.811 1.00 41.51 H new ATOM 69 N GLU A 5 2.334 -6.051 9.632 1.00 74.35 N ATOM 70 CA GLU A 5 3.157 -5.564 8.515 1.00 73.32 C ATOM 71 C GLU A 5 3.013 -6.521 7.329 1.00 32.04 C ATOM 72 O GLU A 5 2.923 -7.745 7.515 1.00 35.14 O ATOM 73 CB GLU A 5 4.655 -5.440 8.919 1.00 54.52 C ATOM 74 CG GLU A 5 4.951 -4.408 10.027 1.00 65.34 C ATOM 75 CD GLU A 5 6.460 -4.117 10.209 1.00 52.55 C ATOM 76 OE1 GLU A 5 7.034 -3.335 9.413 1.00 41.34 O ATOM 77 OE2 GLU A 5 7.084 -4.684 11.136 1.00 22.10 O ATOM 0 H GLU A 5 2.643 -6.950 10.003 1.00 74.35 H new ATOM 0 HA GLU A 5 2.807 -4.570 8.238 1.00 73.32 H new ATOM 0 HB2 GLU A 5 5.008 -6.417 9.250 1.00 54.52 H new ATOM 0 HB3 GLU A 5 5.233 -5.175 8.034 1.00 54.52 H new ATOM 0 HG2 GLU A 5 4.435 -3.477 9.793 1.00 65.34 H new ATOM 0 HG3 GLU A 5 4.542 -4.771 10.970 1.00 65.34 H new ATOM 84 N VAL A 6 2.991 -5.959 6.116 1.00 2.20 N ATOM 85 CA VAL A 6 2.978 -6.728 4.868 1.00 53.15 C ATOM 86 C VAL A 6 4.080 -6.182 3.935 1.00 15.54 C ATOM 87 O VAL A 6 4.176 -4.961 3.714 1.00 35.33 O ATOM 88 CB VAL A 6 1.555 -6.693 4.174 1.00 24.43 C ATOM 89 CG1 VAL A 6 1.119 -5.257 3.818 1.00 72.45 C ATOM 90 CG2 VAL A 6 1.507 -7.630 2.937 1.00 15.25 C ATOM 0 H VAL A 6 2.982 -4.949 5.972 1.00 2.20 H new ATOM 0 HA VAL A 6 3.183 -7.775 5.091 1.00 53.15 H new ATOM 0 HB VAL A 6 0.834 -7.069 4.900 1.00 24.43 H new ATOM 0 HG11 VAL A 6 0.138 -5.282 3.344 1.00 72.45 H new ATOM 0 HG12 VAL A 6 1.069 -4.656 4.726 1.00 72.45 H new ATOM 0 HG13 VAL A 6 1.842 -4.817 3.132 1.00 72.45 H new ATOM 0 HG21 VAL A 6 0.517 -7.583 2.483 1.00 15.25 H new ATOM 0 HG22 VAL A 6 2.255 -7.312 2.210 1.00 15.25 H new ATOM 0 HG23 VAL A 6 1.716 -8.654 3.248 1.00 15.25 H new ATOM 100 N GLU A 7 4.942 -7.090 3.459 1.00 12.23 N ATOM 101 CA GLU A 7 5.962 -6.801 2.448 1.00 70.03 C ATOM 102 C GLU A 7 5.334 -7.021 1.062 1.00 1.33 C ATOM 103 O GLU A 7 4.911 -8.132 0.731 1.00 72.25 O ATOM 104 CB GLU A 7 7.189 -7.737 2.622 1.00 50.41 C ATOM 105 CG GLU A 7 8.310 -7.492 1.590 1.00 61.13 C ATOM 106 CD GLU A 7 9.373 -8.596 1.568 1.00 2.13 C ATOM 107 OE1 GLU A 7 10.304 -8.559 2.393 1.00 30.31 O ATOM 108 OE2 GLU A 7 9.278 -9.512 0.718 1.00 73.52 O ATOM 0 H GLU A 7 4.949 -8.061 3.772 1.00 12.23 H new ATOM 0 HA GLU A 7 6.305 -5.772 2.556 1.00 70.03 H new ATOM 0 HB2 GLU A 7 7.596 -7.605 3.625 1.00 50.41 H new ATOM 0 HB3 GLU A 7 6.858 -8.773 2.546 1.00 50.41 H new ATOM 0 HG2 GLU A 7 7.867 -7.405 0.598 1.00 61.13 H new ATOM 0 HG3 GLU A 7 8.792 -6.539 1.808 1.00 61.13 H new ATOM 115 N VAL A 8 5.249 -5.952 0.289 1.00 23.21 N ATOM 116 CA VAL A 8 4.655 -5.951 -1.044 1.00 5.24 C ATOM 117 C VAL A 8 5.741 -5.524 -2.051 1.00 71.53 C ATOM 118 O VAL A 8 6.108 -4.353 -2.109 1.00 62.41 O ATOM 119 CB VAL A 8 3.415 -4.966 -1.085 1.00 22.01 C ATOM 120 CG1 VAL A 8 2.814 -4.871 -2.496 1.00 55.52 C ATOM 121 CG2 VAL A 8 2.333 -5.378 -0.047 1.00 2.41 C ATOM 0 H VAL A 8 5.598 -5.037 0.574 1.00 23.21 H new ATOM 0 HA VAL A 8 4.291 -6.945 -1.303 1.00 5.24 H new ATOM 0 HB VAL A 8 3.780 -3.975 -0.815 1.00 22.01 H new ATOM 0 HG11 VAL A 8 1.966 -4.186 -2.485 1.00 55.52 H new ATOM 0 HG12 VAL A 8 3.570 -4.501 -3.189 1.00 55.52 H new ATOM 0 HG13 VAL A 8 2.480 -5.858 -2.816 1.00 55.52 H new ATOM 0 HG21 VAL A 8 1.495 -4.683 -0.100 1.00 2.41 H new ATOM 0 HG22 VAL A 8 1.982 -6.386 -0.268 1.00 2.41 H new ATOM 0 HG23 VAL A 8 2.762 -5.354 0.955 1.00 2.41 H new ATOM 131 N LYS A 9 6.264 -6.485 -2.832 1.00 45.14 N ATOM 132 CA LYS A 9 7.290 -6.214 -3.854 1.00 14.33 C ATOM 133 C LYS A 9 6.607 -5.821 -5.174 1.00 10.50 C ATOM 134 O LYS A 9 6.042 -6.655 -5.883 1.00 52.03 O ATOM 135 CB LYS A 9 8.259 -7.431 -4.026 1.00 5.55 C ATOM 136 CG LYS A 9 9.427 -7.461 -3.007 1.00 55.52 C ATOM 137 CD LYS A 9 10.374 -8.673 -3.207 1.00 4.55 C ATOM 138 CE LYS A 9 11.664 -8.566 -2.368 1.00 11.22 C ATOM 139 NZ LYS A 9 11.402 -8.433 -0.905 1.00 44.24 N ATOM 0 H LYS A 9 5.990 -7.466 -2.773 1.00 45.14 H new ATOM 0 HA LYS A 9 7.908 -5.377 -3.528 1.00 14.33 H new ATOM 0 HB2 LYS A 9 7.686 -8.354 -3.932 1.00 5.55 H new ATOM 0 HB3 LYS A 9 8.672 -7.413 -5.035 1.00 5.55 H new ATOM 0 HG2 LYS A 9 10.002 -6.539 -3.094 1.00 55.52 H new ATOM 0 HG3 LYS A 9 9.020 -7.488 -1.996 1.00 55.52 H new ATOM 0 HD2 LYS A 9 9.847 -9.589 -2.940 1.00 4.55 H new ATOM 0 HD3 LYS A 9 10.637 -8.753 -4.262 1.00 4.55 H new ATOM 0 HE2 LYS A 9 12.278 -9.450 -2.542 1.00 11.22 H new ATOM 0 HE3 LYS A 9 12.241 -7.706 -2.707 1.00 11.22 H new ATOM 0 HZ1 LYS A 9 12.195 -8.843 -0.372 1.00 44.24 H new ATOM 0 HZ2 LYS A 9 11.303 -7.427 -0.660 1.00 44.24 H new ATOM 0 HZ3 LYS A 9 10.525 -8.936 -0.662 1.00 44.24 H new ATOM 153 N ILE A 10 6.682 -4.533 -5.482 1.00 12.02 N ATOM 154 CA ILE A 10 6.020 -3.913 -6.627 1.00 41.21 C ATOM 155 C ILE A 10 7.015 -3.854 -7.791 1.00 32.51 C ATOM 156 O ILE A 10 8.095 -3.258 -7.655 1.00 33.42 O ATOM 157 CB ILE A 10 5.547 -2.453 -6.266 1.00 34.24 C ATOM 158 CG1 ILE A 10 4.625 -2.474 -5.002 1.00 1.01 C ATOM 159 CG2 ILE A 10 4.860 -1.772 -7.473 1.00 51.02 C ATOM 160 CD1 ILE A 10 4.132 -1.114 -4.530 1.00 12.44 C ATOM 0 H ILE A 10 7.221 -3.869 -4.926 1.00 12.02 H new ATOM 0 HA ILE A 10 5.145 -4.502 -6.903 1.00 41.21 H new ATOM 0 HB ILE A 10 6.426 -1.855 -6.025 1.00 34.24 H new ATOM 0 HG12 ILE A 10 3.759 -3.101 -5.215 1.00 1.01 H new ATOM 0 HG13 ILE A 10 5.169 -2.948 -4.185 1.00 1.01 H new ATOM 0 HG21 ILE A 10 4.545 -0.767 -7.193 1.00 51.02 H new ATOM 0 HG22 ILE A 10 5.561 -1.714 -8.306 1.00 51.02 H new ATOM 0 HG23 ILE A 10 3.989 -2.355 -7.772 1.00 51.02 H new ATOM 0 HD11 ILE A 10 3.502 -1.241 -3.650 1.00 12.44 H new ATOM 0 HD12 ILE A 10 4.986 -0.485 -4.278 1.00 12.44 H new ATOM 0 HD13 ILE A 10 3.555 -0.641 -5.324 1.00 12.44 H new ATOM 172 N THR A 11 6.670 -4.491 -8.912 1.00 11.13 N ATOM 173 CA THR A 11 7.496 -4.435 -10.133 1.00 32.21 C ATOM 174 C THR A 11 6.956 -3.337 -11.074 1.00 33.25 C ATOM 175 O THR A 11 5.742 -3.152 -11.170 1.00 25.22 O ATOM 176 CB THR A 11 7.566 -5.820 -10.866 1.00 12.13 C ATOM 177 OG1 THR A 11 8.471 -5.741 -11.979 1.00 54.53 O ATOM 178 CG2 THR A 11 6.198 -6.318 -11.372 1.00 33.13 C ATOM 0 H THR A 11 5.824 -5.054 -9.005 1.00 11.13 H new ATOM 0 HA THR A 11 8.516 -4.188 -9.839 1.00 32.21 H new ATOM 0 HB THR A 11 7.919 -6.537 -10.125 1.00 12.13 H new ATOM 0 HG1 THR A 11 8.511 -6.610 -12.431 1.00 54.53 H new ATOM 0 HG21 THR A 11 6.322 -7.280 -11.868 1.00 33.13 H new ATOM 0 HG22 THR A 11 5.517 -6.430 -10.528 1.00 33.13 H new ATOM 0 HG23 THR A 11 5.786 -5.596 -12.078 1.00 33.13 H new ATOM 186 N ALA A 12 7.877 -2.589 -11.702 1.00 40.33 N ATOM 187 CA ALA A 12 7.559 -1.547 -12.700 1.00 51.13 C ATOM 188 C ALA A 12 8.856 -1.102 -13.388 1.00 34.23 C ATOM 189 O ALA A 12 9.929 -1.147 -12.767 1.00 64.51 O ATOM 190 CB ALA A 12 6.851 -0.338 -12.054 1.00 71.23 C ATOM 0 H ALA A 12 8.877 -2.690 -11.531 1.00 40.33 H new ATOM 0 HA ALA A 12 6.873 -1.967 -13.436 1.00 51.13 H new ATOM 0 HB1 ALA A 12 6.633 0.407 -12.819 1.00 71.23 H new ATOM 0 HB2 ALA A 12 5.920 -0.666 -11.591 1.00 71.23 H new ATOM 0 HB3 ALA A 12 7.499 0.100 -11.295 1.00 71.23 H new ATOM 196 N ASP A 13 8.746 -0.683 -14.663 1.00 71.44 N ATOM 197 CA ASP A 13 9.892 -0.198 -15.468 1.00 15.41 C ATOM 198 C ASP A 13 10.458 1.097 -14.866 1.00 31.10 C ATOM 199 O ASP A 13 11.673 1.314 -14.827 1.00 45.22 O ATOM 200 CB ASP A 13 9.449 0.028 -16.939 1.00 32.22 C ATOM 201 CG ASP A 13 10.599 0.484 -17.861 1.00 53.33 C ATOM 202 OD1 ASP A 13 11.449 -0.358 -18.228 1.00 42.31 O ATOM 203 OD2 ASP A 13 10.662 1.677 -18.229 1.00 43.24 O ATOM 0 H ASP A 13 7.860 -0.670 -15.168 1.00 71.44 H new ATOM 0 HA ASP A 13 10.679 -0.952 -15.454 1.00 15.41 H new ATOM 0 HB2 ASP A 13 9.025 -0.897 -17.329 1.00 32.22 H new ATOM 0 HB3 ASP A 13 8.657 0.776 -16.961 1.00 32.22 H new ATOM 208 N ASP A 14 9.547 1.943 -14.382 1.00 52.24 N ATOM 209 CA ASP A 14 9.881 3.184 -13.677 1.00 43.14 C ATOM 210 C ASP A 14 9.745 2.936 -12.169 1.00 54.50 C ATOM 211 O ASP A 14 8.658 3.099 -11.622 1.00 72.21 O ATOM 212 CB ASP A 14 8.929 4.339 -14.118 1.00 60.12 C ATOM 213 CG ASP A 14 9.111 4.774 -15.576 1.00 44.43 C ATOM 214 OD1 ASP A 14 8.836 3.966 -16.485 1.00 34.43 O ATOM 215 OD2 ASP A 14 9.528 5.931 -15.829 1.00 43.35 O ATOM 0 H ASP A 14 8.543 1.784 -14.469 1.00 52.24 H new ATOM 0 HA ASP A 14 10.902 3.479 -13.919 1.00 43.14 H new ATOM 0 HB2 ASP A 14 7.897 4.022 -13.970 1.00 60.12 H new ATOM 0 HB3 ASP A 14 9.094 5.199 -13.470 1.00 60.12 H new ATOM 220 N GLU A 15 10.829 2.467 -11.519 1.00 63.41 N ATOM 221 CA GLU A 15 10.841 2.180 -10.057 1.00 45.34 C ATOM 222 C GLU A 15 10.580 3.450 -9.202 1.00 30.33 C ATOM 223 O GLU A 15 9.888 3.395 -8.177 1.00 32.34 O ATOM 224 CB GLU A 15 12.185 1.497 -9.636 1.00 61.32 C ATOM 225 CG GLU A 15 13.446 2.397 -9.617 1.00 22.22 C ATOM 226 CD GLU A 15 13.851 2.958 -10.996 1.00 33.42 C ATOM 227 OE1 GLU A 15 14.547 2.258 -11.744 1.00 72.15 O ATOM 228 OE2 GLU A 15 13.459 4.095 -11.342 1.00 32.11 O ATOM 0 H GLU A 15 11.718 2.275 -11.982 1.00 63.41 H new ATOM 0 HA GLU A 15 10.020 1.490 -9.862 1.00 45.34 H new ATOM 0 HB2 GLU A 15 12.054 1.073 -8.640 1.00 61.32 H new ATOM 0 HB3 GLU A 15 12.371 0.665 -10.315 1.00 61.32 H new ATOM 0 HG2 GLU A 15 13.272 3.230 -8.936 1.00 22.22 H new ATOM 0 HG3 GLU A 15 14.280 1.824 -9.212 1.00 22.22 H new ATOM 235 N ASN A 16 11.116 4.591 -9.659 1.00 3.11 N ATOM 236 CA ASN A 16 11.033 5.873 -8.939 1.00 30.50 C ATOM 237 C ASN A 16 9.602 6.402 -9.024 1.00 1.15 C ATOM 238 O ASN A 16 9.018 6.790 -8.013 1.00 30.13 O ATOM 239 CB ASN A 16 12.050 6.891 -9.519 1.00 22.45 C ATOM 240 CG ASN A 16 12.103 8.202 -8.736 1.00 51.35 C ATOM 241 OD1 ASN A 16 12.850 8.331 -7.764 1.00 24.21 O ATOM 242 ND2 ASN A 16 11.300 9.173 -9.141 1.00 71.54 N ATOM 0 H ASN A 16 11.622 4.652 -10.543 1.00 3.11 H new ATOM 0 HA ASN A 16 11.290 5.722 -7.890 1.00 30.50 H new ATOM 0 HB2 ASN A 16 13.042 6.439 -9.526 1.00 22.45 H new ATOM 0 HB3 ASN A 16 11.789 7.105 -10.556 1.00 22.45 H new ATOM 0 HD21 ASN A 16 11.286 10.064 -8.644 1.00 71.54 H new ATOM 0 HD22 ASN A 16 10.695 9.031 -9.950 1.00 71.54 H new ATOM 249 N LYS A 17 9.023 6.331 -10.240 1.00 34.35 N ATOM 250 CA LYS A 17 7.643 6.776 -10.501 1.00 41.21 C ATOM 251 C LYS A 17 6.631 5.796 -9.882 1.00 53.21 C ATOM 252 O LYS A 17 5.545 6.215 -9.492 1.00 23.25 O ATOM 253 CB LYS A 17 7.377 6.976 -12.034 1.00 64.22 C ATOM 254 CG LYS A 17 7.267 8.454 -12.478 1.00 61.14 C ATOM 255 CD LYS A 17 6.050 9.168 -11.840 1.00 33.31 C ATOM 256 CE LYS A 17 5.975 10.656 -12.203 1.00 42.42 C ATOM 257 NZ LYS A 17 7.183 11.392 -11.758 1.00 53.12 N ATOM 0 H LYS A 17 9.499 5.965 -11.065 1.00 34.35 H new ATOM 0 HA LYS A 17 7.512 7.748 -10.025 1.00 41.21 H new ATOM 0 HB2 LYS A 17 8.182 6.500 -12.595 1.00 64.22 H new ATOM 0 HB3 LYS A 17 6.454 6.460 -12.300 1.00 64.22 H new ATOM 0 HG2 LYS A 17 8.180 8.982 -12.205 1.00 61.14 H new ATOM 0 HG3 LYS A 17 7.185 8.500 -13.564 1.00 61.14 H new ATOM 0 HD2 LYS A 17 5.134 8.673 -12.163 1.00 33.31 H new ATOM 0 HD3 LYS A 17 6.102 9.066 -10.756 1.00 33.31 H new ATOM 0 HE2 LYS A 17 5.862 10.762 -13.282 1.00 42.42 H new ATOM 0 HE3 LYS A 17 5.090 11.098 -11.745 1.00 42.42 H new ATOM 0 HZ1 LYS A 17 6.901 12.300 -11.336 1.00 53.12 H new ATOM 0 HZ2 LYS A 17 7.694 10.825 -11.051 1.00 53.12 H new ATOM 0 HZ3 LYS A 17 7.803 11.568 -12.574 1.00 53.12 H new ATOM 271 N ALA A 18 7.008 4.502 -9.791 1.00 72.31 N ATOM 272 CA ALA A 18 6.185 3.469 -9.135 1.00 32.35 C ATOM 273 C ALA A 18 5.983 3.824 -7.661 1.00 61.32 C ATOM 274 O ALA A 18 4.860 3.783 -7.156 1.00 1.15 O ATOM 275 CB ALA A 18 6.821 2.078 -9.271 1.00 45.41 C ATOM 0 H ALA A 18 7.887 4.148 -10.169 1.00 72.31 H new ATOM 0 HA ALA A 18 5.215 3.438 -9.632 1.00 32.35 H new ATOM 0 HB1 ALA A 18 6.190 1.339 -8.777 1.00 45.41 H new ATOM 0 HB2 ALA A 18 6.918 1.824 -10.327 1.00 45.41 H new ATOM 0 HB3 ALA A 18 7.807 2.082 -8.806 1.00 45.41 H new ATOM 281 N GLU A 19 7.097 4.226 -7.012 1.00 43.00 N ATOM 282 CA GLU A 19 7.089 4.718 -5.633 1.00 3.42 C ATOM 283 C GLU A 19 6.165 5.942 -5.510 1.00 41.34 C ATOM 284 O GLU A 19 5.260 5.934 -4.694 1.00 54.13 O ATOM 285 CB GLU A 19 8.519 5.079 -5.156 1.00 5.14 C ATOM 286 CG GLU A 19 8.567 5.557 -3.690 1.00 63.25 C ATOM 287 CD GLU A 19 9.921 6.111 -3.243 1.00 40.43 C ATOM 288 OE1 GLU A 19 10.286 7.218 -3.693 1.00 21.30 O ATOM 289 OE2 GLU A 19 10.633 5.465 -2.439 1.00 31.54 O ATOM 0 H GLU A 19 8.024 4.215 -7.437 1.00 43.00 H new ATOM 0 HA GLU A 19 6.711 3.920 -4.994 1.00 3.42 H new ATOM 0 HB2 GLU A 19 9.164 4.207 -5.269 1.00 5.14 H new ATOM 0 HB3 GLU A 19 8.924 5.860 -5.800 1.00 5.14 H new ATOM 0 HG2 GLU A 19 7.810 6.328 -3.548 1.00 63.25 H new ATOM 0 HG3 GLU A 19 8.299 4.723 -3.041 1.00 63.25 H new ATOM 296 N GLU A 20 6.379 6.950 -6.384 1.00 24.32 N ATOM 297 CA GLU A 20 5.644 8.240 -6.353 1.00 72.44 C ATOM 298 C GLU A 20 4.110 8.050 -6.437 1.00 65.23 C ATOM 299 O GLU A 20 3.359 8.647 -5.645 1.00 63.23 O ATOM 300 CB GLU A 20 6.134 9.157 -7.498 1.00 70.03 C ATOM 301 CG GLU A 20 7.614 9.580 -7.385 1.00 73.42 C ATOM 302 CD GLU A 20 8.045 10.518 -8.515 1.00 13.24 C ATOM 303 OE1 GLU A 20 7.800 11.742 -8.411 1.00 10.34 O ATOM 304 OE2 GLU A 20 8.597 10.050 -9.533 1.00 20.33 O ATOM 0 H GLU A 20 7.068 6.895 -7.134 1.00 24.32 H new ATOM 0 HA GLU A 20 5.855 8.710 -5.392 1.00 72.44 H new ATOM 0 HB2 GLU A 20 5.987 8.643 -8.448 1.00 70.03 H new ATOM 0 HB3 GLU A 20 5.513 10.053 -7.521 1.00 70.03 H new ATOM 0 HG2 GLU A 20 7.775 10.074 -6.427 1.00 73.42 H new ATOM 0 HG3 GLU A 20 8.244 8.691 -7.395 1.00 73.42 H new ATOM 311 N ILE A 21 3.678 7.184 -7.380 1.00 30.33 N ATOM 312 CA ILE A 21 2.261 6.841 -7.597 1.00 22.33 C ATOM 313 C ILE A 21 1.674 6.228 -6.310 1.00 32.22 C ATOM 314 O ILE A 21 0.694 6.741 -5.759 1.00 24.52 O ATOM 315 CB ILE A 21 2.101 5.835 -8.810 1.00 51.24 C ATOM 316 CG1 ILE A 21 2.487 6.518 -10.166 1.00 53.45 C ATOM 317 CG2 ILE A 21 0.672 5.235 -8.880 1.00 14.24 C ATOM 318 CD1 ILE A 21 2.533 5.570 -11.358 1.00 73.15 C ATOM 0 H ILE A 21 4.312 6.701 -8.016 1.00 30.33 H new ATOM 0 HA ILE A 21 1.715 7.752 -7.843 1.00 22.33 H new ATOM 0 HB ILE A 21 2.792 5.010 -8.635 1.00 51.24 H new ATOM 0 HG12 ILE A 21 1.770 7.312 -10.376 1.00 53.45 H new ATOM 0 HG13 ILE A 21 3.463 6.991 -10.056 1.00 53.45 H new ATOM 0 HG21 ILE A 21 0.606 4.551 -9.726 1.00 14.24 H new ATOM 0 HG22 ILE A 21 0.459 4.694 -7.958 1.00 14.24 H new ATOM 0 HG23 ILE A 21 -0.054 6.038 -9.005 1.00 14.24 H new ATOM 0 HD11 ILE A 21 2.808 6.126 -12.254 1.00 73.15 H new ATOM 0 HD12 ILE A 21 3.272 4.790 -11.174 1.00 73.15 H new ATOM 0 HD13 ILE A 21 1.552 5.115 -11.499 1.00 73.15 H new ATOM 330 N VAL A 22 2.346 5.176 -5.817 1.00 63.22 N ATOM 331 CA VAL A 22 1.908 4.406 -4.644 1.00 4.41 C ATOM 332 C VAL A 22 1.867 5.285 -3.366 1.00 62.12 C ATOM 333 O VAL A 22 0.923 5.182 -2.588 1.00 24.42 O ATOM 334 CB VAL A 22 2.824 3.137 -4.466 1.00 24.31 C ATOM 335 CG1 VAL A 22 2.518 2.365 -3.166 1.00 40.13 C ATOM 336 CG2 VAL A 22 2.683 2.207 -5.693 1.00 41.52 C ATOM 0 H VAL A 22 3.216 4.834 -6.225 1.00 63.22 H new ATOM 0 HA VAL A 22 0.886 4.065 -4.810 1.00 4.41 H new ATOM 0 HB VAL A 22 3.853 3.487 -4.390 1.00 24.31 H new ATOM 0 HG11 VAL A 22 3.177 1.500 -3.093 1.00 40.13 H new ATOM 0 HG12 VAL A 22 2.680 3.018 -2.308 1.00 40.13 H new ATOM 0 HG13 VAL A 22 1.481 2.031 -3.177 1.00 40.13 H new ATOM 0 HG21 VAL A 22 3.320 1.332 -5.562 1.00 41.52 H new ATOM 0 HG22 VAL A 22 1.645 1.889 -5.791 1.00 41.52 H new ATOM 0 HG23 VAL A 22 2.985 2.743 -6.593 1.00 41.52 H new ATOM 346 N LYS A 23 2.854 6.206 -3.222 1.00 45.24 N ATOM 347 CA LYS A 23 2.938 7.161 -2.087 1.00 54.12 C ATOM 348 C LYS A 23 1.677 8.037 -2.033 1.00 41.32 C ATOM 349 O LYS A 23 1.034 8.144 -0.978 1.00 65.42 O ATOM 350 CB LYS A 23 4.187 8.090 -2.210 1.00 34.41 C ATOM 351 CG LYS A 23 5.549 7.418 -1.937 1.00 13.24 C ATOM 352 CD LYS A 23 6.743 8.351 -2.260 1.00 24.14 C ATOM 353 CE LYS A 23 6.828 9.588 -1.350 1.00 25.33 C ATOM 354 NZ LYS A 23 7.201 9.224 0.043 1.00 33.02 N ATOM 0 H LYS A 23 3.616 6.307 -3.892 1.00 45.24 H new ATOM 0 HA LYS A 23 3.025 6.571 -1.175 1.00 54.12 H new ATOM 0 HB2 LYS A 23 4.206 8.512 -3.215 1.00 34.41 H new ATOM 0 HB3 LYS A 23 4.068 8.923 -1.517 1.00 34.41 H new ATOM 0 HG2 LYS A 23 5.599 7.117 -0.891 1.00 13.24 H new ATOM 0 HG3 LYS A 23 5.629 6.510 -2.534 1.00 13.24 H new ATOM 0 HD2 LYS A 23 7.669 7.783 -2.173 1.00 24.14 H new ATOM 0 HD3 LYS A 23 6.666 8.679 -3.297 1.00 24.14 H new ATOM 0 HE2 LYS A 23 7.562 10.286 -1.753 1.00 25.33 H new ATOM 0 HE3 LYS A 23 5.868 10.103 -1.346 1.00 25.33 H new ATOM 0 HZ1 LYS A 23 7.248 10.084 0.626 1.00 33.02 H new ATOM 0 HZ2 LYS A 23 6.487 8.578 0.436 1.00 33.02 H new ATOM 0 HZ3 LYS A 23 8.129 8.755 0.043 1.00 33.02 H new ATOM 368 N ARG A 24 1.346 8.650 -3.192 1.00 52.14 N ATOM 369 CA ARG A 24 0.196 9.560 -3.324 1.00 32.34 C ATOM 370 C ARG A 24 -1.106 8.839 -2.940 1.00 35.12 C ATOM 371 O ARG A 24 -1.892 9.357 -2.142 1.00 61.14 O ATOM 372 CB ARG A 24 0.096 10.110 -4.773 1.00 61.32 C ATOM 373 CG ARG A 24 -1.037 11.144 -4.992 1.00 35.30 C ATOM 374 CD ARG A 24 -1.233 11.503 -6.472 1.00 4.44 C ATOM 375 NE ARG A 24 -0.045 12.149 -7.065 1.00 73.41 N ATOM 376 CZ ARG A 24 0.639 11.694 -8.127 1.00 13.53 C ATOM 377 NH1 ARG A 24 0.289 10.570 -8.743 1.00 43.22 N ATOM 378 NH2 ARG A 24 1.660 12.396 -8.583 1.00 61.34 N ATOM 0 H ARG A 24 1.870 8.525 -4.058 1.00 52.14 H new ATOM 0 HA ARG A 24 0.345 10.399 -2.645 1.00 32.34 H new ATOM 0 HB2 ARG A 24 1.047 10.571 -5.040 1.00 61.32 H new ATOM 0 HB3 ARG A 24 -0.056 9.274 -5.456 1.00 61.32 H new ATOM 0 HG2 ARG A 24 -1.969 10.745 -4.592 1.00 35.30 H new ATOM 0 HG3 ARG A 24 -0.811 12.050 -4.429 1.00 35.30 H new ATOM 0 HD2 ARG A 24 -1.467 10.598 -7.033 1.00 4.44 H new ATOM 0 HD3 ARG A 24 -2.090 12.169 -6.569 1.00 4.44 H new ATOM 0 HE ARG A 24 0.283 13.012 -6.632 1.00 73.41 H new ATOM 0 HH11 ARG A 24 -0.513 10.035 -8.411 1.00 43.22 H new ATOM 0 HH12 ARG A 24 0.823 10.242 -9.548 1.00 43.22 H new ATOM 0 HH21 ARG A 24 1.920 13.272 -8.129 1.00 61.34 H new ATOM 0 HH22 ARG A 24 2.189 12.063 -9.389 1.00 61.34 H new ATOM 392 N VAL A 25 -1.278 7.615 -3.484 1.00 42.33 N ATOM 393 CA VAL A 25 -2.469 6.785 -3.247 1.00 61.34 C ATOM 394 C VAL A 25 -2.632 6.462 -1.749 1.00 11.13 C ATOM 395 O VAL A 25 -3.697 6.717 -1.179 1.00 60.44 O ATOM 396 CB VAL A 25 -2.421 5.445 -4.056 1.00 55.54 C ATOM 397 CG1 VAL A 25 -3.659 4.575 -3.758 1.00 42.42 C ATOM 398 CG2 VAL A 25 -2.288 5.698 -5.573 1.00 20.33 C ATOM 0 H VAL A 25 -0.592 7.178 -4.100 1.00 42.33 H new ATOM 0 HA VAL A 25 -3.324 7.368 -3.590 1.00 61.34 H new ATOM 0 HB VAL A 25 -1.532 4.903 -3.732 1.00 55.54 H new ATOM 0 HG11 VAL A 25 -3.601 3.650 -4.332 1.00 42.42 H new ATOM 0 HG12 VAL A 25 -3.691 4.340 -2.694 1.00 42.42 H new ATOM 0 HG13 VAL A 25 -4.562 5.119 -4.036 1.00 42.42 H new ATOM 0 HG21 VAL A 25 -2.258 4.744 -6.100 1.00 20.33 H new ATOM 0 HG22 VAL A 25 -3.142 6.278 -5.921 1.00 20.33 H new ATOM 0 HG23 VAL A 25 -1.369 6.251 -5.771 1.00 20.33 H new ATOM 408 N ILE A 26 -1.554 5.917 -1.129 1.00 44.34 N ATOM 409 CA ILE A 26 -1.560 5.498 0.291 1.00 13.11 C ATOM 410 C ILE A 26 -1.973 6.662 1.183 1.00 42.11 C ATOM 411 O ILE A 26 -2.826 6.503 2.029 1.00 43.01 O ATOM 412 CB ILE A 26 -0.153 4.976 0.782 1.00 35.14 C ATOM 413 CG1 ILE A 26 0.260 3.688 0.018 1.00 21.40 C ATOM 414 CG2 ILE A 26 -0.128 4.730 2.325 1.00 65.44 C ATOM 415 CD1 ILE A 26 1.704 3.304 0.226 1.00 41.43 C ATOM 0 H ILE A 26 -0.663 5.758 -1.599 1.00 44.34 H new ATOM 0 HA ILE A 26 -2.274 4.678 0.363 1.00 13.11 H new ATOM 0 HB ILE A 26 0.573 5.758 0.562 1.00 35.14 H new ATOM 0 HG12 ILE A 26 -0.377 2.864 0.339 1.00 21.40 H new ATOM 0 HG13 ILE A 26 0.080 3.833 -1.047 1.00 21.40 H new ATOM 0 HG21 ILE A 26 0.858 4.372 2.620 1.00 65.44 H new ATOM 0 HG22 ILE A 26 -0.346 5.662 2.846 1.00 65.44 H new ATOM 0 HG23 ILE A 26 -0.878 3.984 2.587 1.00 65.44 H new ATOM 0 HD11 ILE A 26 1.924 2.396 -0.336 1.00 41.43 H new ATOM 0 HD12 ILE A 26 2.349 4.111 -0.122 1.00 41.43 H new ATOM 0 HD13 ILE A 26 1.884 3.127 1.286 1.00 41.43 H new ATOM 427 N ASP A 27 -1.370 7.838 0.932 1.00 64.53 N ATOM 428 CA ASP A 27 -1.533 9.027 1.783 1.00 23.41 C ATOM 429 C ASP A 27 -2.995 9.513 1.796 1.00 42.10 C ATOM 430 O ASP A 27 -3.534 9.873 2.854 1.00 32.20 O ATOM 431 CB ASP A 27 -0.575 10.161 1.325 1.00 72.32 C ATOM 432 CG ASP A 27 -0.477 11.289 2.371 1.00 71.12 C ATOM 433 OD1 ASP A 27 -1.304 12.213 2.350 1.00 22.45 O ATOM 434 OD2 ASP A 27 0.428 11.246 3.239 1.00 4.41 O ATOM 0 H ASP A 27 -0.756 7.989 0.132 1.00 64.53 H new ATOM 0 HA ASP A 27 -1.272 8.747 2.804 1.00 23.41 H new ATOM 0 HB2 ASP A 27 0.417 9.747 1.144 1.00 72.32 H new ATOM 0 HB3 ASP A 27 -0.926 10.573 0.379 1.00 72.32 H new ATOM 439 N GLU A 28 -3.631 9.473 0.615 1.00 75.42 N ATOM 440 CA GLU A 28 -5.032 9.887 0.440 1.00 73.02 C ATOM 441 C GLU A 28 -5.994 8.853 1.059 1.00 51.05 C ATOM 442 O GLU A 28 -6.888 9.216 1.824 1.00 54.11 O ATOM 443 CB GLU A 28 -5.333 10.122 -1.055 1.00 21.15 C ATOM 444 CG GLU A 28 -4.479 11.241 -1.689 1.00 3.21 C ATOM 445 CD GLU A 28 -4.816 11.477 -3.167 1.00 50.01 C ATOM 446 OE1 GLU A 28 -4.349 10.691 -4.017 1.00 2.33 O ATOM 447 OE2 GLU A 28 -5.565 12.434 -3.488 1.00 40.23 O ATOM 0 H GLU A 28 -3.188 9.153 -0.246 1.00 75.42 H new ATOM 0 HA GLU A 28 -5.189 10.828 0.968 1.00 73.02 H new ATOM 0 HB2 GLU A 28 -5.164 9.194 -1.601 1.00 21.15 H new ATOM 0 HB3 GLU A 28 -6.388 10.372 -1.170 1.00 21.15 H new ATOM 0 HG2 GLU A 28 -4.630 12.167 -1.134 1.00 3.21 H new ATOM 0 HG3 GLU A 28 -3.424 10.983 -1.598 1.00 3.21 H new ATOM 454 N VAL A 29 -5.765 7.559 0.765 1.00 1.51 N ATOM 455 CA VAL A 29 -6.561 6.452 1.337 1.00 14.54 C ATOM 456 C VAL A 29 -6.409 6.415 2.883 1.00 14.24 C ATOM 457 O VAL A 29 -7.390 6.218 3.594 1.00 61.23 O ATOM 458 CB VAL A 29 -6.162 5.059 0.696 1.00 75.04 C ATOM 459 CG1 VAL A 29 -6.898 3.869 1.368 1.00 14.35 C ATOM 460 CG2 VAL A 29 -6.424 5.071 -0.834 1.00 32.43 C ATOM 0 H VAL A 29 -5.029 7.251 0.129 1.00 1.51 H new ATOM 0 HA VAL A 29 -7.609 6.634 1.097 1.00 14.54 H new ATOM 0 HB VAL A 29 -5.096 4.916 0.872 1.00 75.04 H new ATOM 0 HG11 VAL A 29 -6.591 2.937 0.894 1.00 14.35 H new ATOM 0 HG12 VAL A 29 -6.646 3.837 2.428 1.00 14.35 H new ATOM 0 HG13 VAL A 29 -7.975 3.996 1.255 1.00 14.35 H new ATOM 0 HG21 VAL A 29 -6.145 4.107 -1.259 1.00 32.43 H new ATOM 0 HG22 VAL A 29 -7.482 5.257 -1.021 1.00 32.43 H new ATOM 0 HG23 VAL A 29 -5.830 5.858 -1.299 1.00 32.43 H new ATOM 470 N GLU A 30 -5.189 6.716 3.370 1.00 62.22 N ATOM 471 CA GLU A 30 -4.815 6.621 4.802 1.00 73.32 C ATOM 472 C GLU A 30 -5.573 7.646 5.646 1.00 55.04 C ATOM 473 O GLU A 30 -6.131 7.299 6.684 1.00 11.31 O ATOM 474 CB GLU A 30 -3.287 6.827 4.985 1.00 71.22 C ATOM 475 CG GLU A 30 -2.780 6.763 6.440 1.00 13.20 C ATOM 476 CD GLU A 30 -1.277 7.034 6.548 1.00 73.32 C ATOM 477 OE1 GLU A 30 -0.471 6.182 6.112 1.00 22.10 O ATOM 478 OE2 GLU A 30 -0.892 8.132 7.003 1.00 71.24 O ATOM 0 H GLU A 30 -4.424 7.036 2.776 1.00 62.22 H new ATOM 0 HA GLU A 30 -5.087 5.622 5.143 1.00 73.32 H new ATOM 0 HB2 GLU A 30 -2.763 6.069 4.402 1.00 71.22 H new ATOM 0 HB3 GLU A 30 -3.015 7.796 4.566 1.00 71.22 H new ATOM 0 HG2 GLU A 30 -3.322 7.492 7.043 1.00 13.20 H new ATOM 0 HG3 GLU A 30 -3.000 5.779 6.855 1.00 13.20 H new ATOM 485 N ARG A 31 -5.607 8.908 5.162 1.00 30.45 N ATOM 486 CA ARG A 31 -6.281 10.018 5.870 1.00 11.14 C ATOM 487 C ARG A 31 -7.811 9.789 5.911 1.00 12.33 C ATOM 488 O ARG A 31 -8.489 10.249 6.830 1.00 51.22 O ATOM 489 CB ARG A 31 -5.922 11.396 5.230 1.00 25.44 C ATOM 490 CG ARG A 31 -6.315 11.556 3.742 1.00 64.24 C ATOM 491 CD ARG A 31 -5.976 12.938 3.145 1.00 72.52 C ATOM 492 NE ARG A 31 -4.526 13.238 3.082 1.00 21.33 N ATOM 493 CZ ARG A 31 -4.007 14.482 2.999 1.00 71.30 C ATOM 494 NH1 ARG A 31 -4.801 15.555 2.967 1.00 12.23 N ATOM 495 NH2 ARG A 31 -2.690 14.645 2.954 1.00 60.44 N ATOM 0 H ARG A 31 -5.174 9.183 4.281 1.00 30.45 H new ATOM 0 HA ARG A 31 -5.920 10.037 6.898 1.00 11.14 H new ATOM 0 HB2 ARG A 31 -6.410 12.183 5.804 1.00 25.44 H new ATOM 0 HB3 ARG A 31 -4.847 11.553 5.324 1.00 25.44 H new ATOM 0 HG2 ARG A 31 -5.809 10.786 3.159 1.00 64.24 H new ATOM 0 HG3 ARG A 31 -7.386 11.381 3.639 1.00 64.24 H new ATOM 0 HD2 ARG A 31 -6.391 12.997 2.139 1.00 72.52 H new ATOM 0 HD3 ARG A 31 -6.469 13.708 3.739 1.00 72.52 H new ATOM 0 HE ARG A 31 -3.876 12.452 3.103 1.00 21.33 H new ATOM 0 HH11 ARG A 31 -5.814 15.441 3.005 1.00 12.23 H new ATOM 0 HH12 ARG A 31 -4.395 16.488 2.904 1.00 12.23 H new ATOM 0 HH21 ARG A 31 -2.074 13.832 2.982 1.00 60.44 H new ATOM 0 HH22 ARG A 31 -2.294 15.583 2.891 1.00 60.44 H new ATOM 509 N GLU A 32 -8.324 9.036 4.914 1.00 74.20 N ATOM 510 CA GLU A 32 -9.740 8.619 4.837 1.00 75.00 C ATOM 511 C GLU A 32 -10.004 7.357 5.698 1.00 42.40 C ATOM 512 O GLU A 32 -11.126 7.143 6.171 1.00 11.14 O ATOM 513 CB GLU A 32 -10.132 8.397 3.356 1.00 33.11 C ATOM 514 CG GLU A 32 -9.982 9.667 2.481 1.00 43.34 C ATOM 515 CD GLU A 32 -10.323 9.430 1.002 1.00 13.03 C ATOM 516 OE1 GLU A 32 -11.502 9.584 0.625 1.00 71.41 O ATOM 517 OE2 GLU A 32 -9.421 9.079 0.210 1.00 65.03 O ATOM 0 H GLU A 32 -7.761 8.698 4.133 1.00 74.20 H new ATOM 0 HA GLU A 32 -10.367 9.411 5.247 1.00 75.00 H new ATOM 0 HB2 GLU A 32 -9.512 7.603 2.939 1.00 33.11 H new ATOM 0 HB3 GLU A 32 -11.165 8.053 3.309 1.00 33.11 H new ATOM 0 HG2 GLU A 32 -10.630 10.450 2.875 1.00 43.34 H new ATOM 0 HG3 GLU A 32 -8.958 10.033 2.556 1.00 43.34 H new ATOM 524 N VAL A 33 -8.953 6.536 5.905 1.00 14.23 N ATOM 525 CA VAL A 33 -8.981 5.402 6.854 1.00 44.51 C ATOM 526 C VAL A 33 -8.959 5.938 8.302 1.00 32.11 C ATOM 527 O VAL A 33 -9.469 5.288 9.200 1.00 32.20 O ATOM 528 CB VAL A 33 -7.783 4.393 6.604 1.00 32.45 C ATOM 529 CG1 VAL A 33 -7.608 3.374 7.757 1.00 1.11 C ATOM 530 CG2 VAL A 33 -7.950 3.637 5.261 1.00 10.11 C ATOM 0 H VAL A 33 -8.062 6.640 5.420 1.00 14.23 H new ATOM 0 HA VAL A 33 -9.903 4.843 6.692 1.00 44.51 H new ATOM 0 HB VAL A 33 -6.882 5.005 6.561 1.00 32.45 H new ATOM 0 HG11 VAL A 33 -6.774 2.709 7.532 1.00 1.11 H new ATOM 0 HG12 VAL A 33 -7.406 3.907 8.686 1.00 1.11 H new ATOM 0 HG13 VAL A 33 -8.520 2.788 7.866 1.00 1.11 H new ATOM 0 HG21 VAL A 33 -7.112 2.954 5.121 1.00 10.11 H new ATOM 0 HG22 VAL A 33 -8.881 3.071 5.276 1.00 10.11 H new ATOM 0 HG23 VAL A 33 -7.974 4.354 4.440 1.00 10.11 H new ATOM 540 N GLN A 34 -8.383 7.136 8.517 1.00 44.24 N ATOM 541 CA GLN A 34 -8.382 7.782 9.849 1.00 31.13 C ATOM 542 C GLN A 34 -9.804 8.265 10.218 1.00 30.44 C ATOM 543 O GLN A 34 -10.159 8.315 11.398 1.00 72.03 O ATOM 544 CB GLN A 34 -7.377 8.967 9.917 1.00 70.34 C ATOM 545 CG GLN A 34 -5.914 8.636 9.532 1.00 12.20 C ATOM 546 CD GLN A 34 -5.345 7.373 10.196 1.00 20.42 C ATOM 547 OE1 GLN A 34 -4.805 7.424 11.302 1.00 72.11 O ATOM 548 NE2 GLN A 34 -5.423 6.238 9.504 1.00 53.22 N ATOM 0 H GLN A 34 -7.913 7.676 7.790 1.00 44.24 H new ATOM 0 HA GLN A 34 -8.061 7.034 10.573 1.00 31.13 H new ATOM 0 HB2 GLN A 34 -7.735 9.760 9.260 1.00 70.34 H new ATOM 0 HB3 GLN A 34 -7.384 9.366 10.931 1.00 70.34 H new ATOM 0 HG2 GLN A 34 -5.855 8.519 8.450 1.00 12.20 H new ATOM 0 HG3 GLN A 34 -5.283 9.484 9.796 1.00 12.20 H new ATOM 0 HE21 GLN A 34 -5.877 6.228 8.590 1.00 53.22 H new ATOM 0 HE22 GLN A 34 -5.029 5.379 9.888 1.00 53.22 H new ATOM 557 N LYS A 35 -10.613 8.583 9.185 1.00 3.24 N ATOM 558 CA LYS A 35 -12.006 9.041 9.356 1.00 50.15 C ATOM 559 C LYS A 35 -12.896 7.857 9.788 1.00 42.13 C ATOM 560 O LYS A 35 -13.708 7.970 10.713 1.00 10.22 O ATOM 561 CB LYS A 35 -12.541 9.651 8.025 1.00 41.12 C ATOM 562 CG LYS A 35 -11.678 10.802 7.454 1.00 10.34 C ATOM 563 CD LYS A 35 -12.175 11.301 6.072 1.00 23.33 C ATOM 564 CE LYS A 35 -13.584 11.907 6.119 1.00 3.43 C ATOM 565 NZ LYS A 35 -14.033 12.370 4.780 1.00 31.42 N ATOM 0 H LYS A 35 -10.318 8.529 8.210 1.00 3.24 H new ATOM 0 HA LYS A 35 -12.032 9.810 10.128 1.00 50.15 H new ATOM 0 HB2 LYS A 35 -12.608 8.860 7.279 1.00 41.12 H new ATOM 0 HB3 LYS A 35 -13.553 10.020 8.190 1.00 41.12 H new ATOM 0 HG2 LYS A 35 -11.680 11.635 8.158 1.00 10.34 H new ATOM 0 HG3 LYS A 35 -10.646 10.465 7.363 1.00 10.34 H new ATOM 0 HD2 LYS A 35 -11.478 12.047 5.690 1.00 23.33 H new ATOM 0 HD3 LYS A 35 -12.168 10.469 5.368 1.00 23.33 H new ATOM 0 HE2 LYS A 35 -14.286 11.165 6.501 1.00 3.43 H new ATOM 0 HE3 LYS A 35 -13.596 12.745 6.816 1.00 3.43 H new ATOM 0 HZ1 LYS A 35 -14.989 12.773 4.854 1.00 31.42 H new ATOM 0 HZ2 LYS A 35 -13.378 13.096 4.426 1.00 31.42 H new ATOM 0 HZ3 LYS A 35 -14.047 11.566 4.121 1.00 31.42 H new ATOM 579 N GLN A 36 -12.697 6.718 9.100 1.00 1.53 N ATOM 580 CA GLN A 36 -13.466 5.482 9.316 1.00 44.33 C ATOM 581 C GLN A 36 -13.002 4.760 10.599 1.00 32.01 C ATOM 582 O GLN A 36 -13.817 4.401 11.452 1.00 10.12 O ATOM 583 CB GLN A 36 -13.304 4.557 8.074 1.00 30.11 C ATOM 584 CG GLN A 36 -13.905 5.119 6.767 1.00 61.24 C ATOM 585 CD GLN A 36 -15.425 5.306 6.835 1.00 12.33 C ATOM 586 OE1 GLN A 36 -15.925 6.375 7.192 1.00 22.21 O ATOM 587 NE2 GLN A 36 -16.169 4.257 6.512 1.00 2.32 N ATOM 0 H GLN A 36 -11.989 6.631 8.371 1.00 1.53 H new ATOM 0 HA GLN A 36 -14.519 5.734 9.445 1.00 44.33 H new ATOM 0 HB2 GLN A 36 -12.243 4.366 7.917 1.00 30.11 H new ATOM 0 HB3 GLN A 36 -13.773 3.597 8.290 1.00 30.11 H new ATOM 0 HG2 GLN A 36 -13.437 6.077 6.542 1.00 61.24 H new ATOM 0 HG3 GLN A 36 -13.664 4.445 5.945 1.00 61.24 H new ATOM 0 HE21 GLN A 36 -15.724 3.387 6.220 1.00 2.32 H new ATOM 0 HE22 GLN A 36 -17.186 4.320 6.555 1.00 2.32 H new ATOM 596 N TYR A 37 -11.689 4.541 10.696 1.00 11.12 N ATOM 597 CA TYR A 37 -11.025 3.914 11.852 1.00 62.42 C ATOM 598 C TYR A 37 -10.130 4.976 12.563 1.00 2.32 C ATOM 599 O TYR A 37 -8.987 5.195 12.137 1.00 51.43 O ATOM 600 CB TYR A 37 -10.151 2.715 11.391 1.00 44.02 C ATOM 601 CG TYR A 37 -10.836 1.652 10.512 1.00 31.50 C ATOM 602 CD1 TYR A 37 -11.562 0.605 11.078 1.00 42.34 C ATOM 603 CD2 TYR A 37 -10.686 1.657 9.117 1.00 63.11 C ATOM 604 CE1 TYR A 37 -12.124 -0.382 10.292 1.00 3.35 C ATOM 605 CE2 TYR A 37 -11.257 0.676 8.328 1.00 54.23 C ATOM 606 CZ TYR A 37 -11.962 -0.349 8.922 1.00 61.31 C ATOM 607 OH TYR A 37 -12.515 -1.350 8.144 1.00 44.34 O ATOM 0 H TYR A 37 -11.037 4.800 9.956 1.00 11.12 H new ATOM 0 HA TYR A 37 -11.782 3.544 12.543 1.00 62.42 H new ATOM 0 HB2 TYR A 37 -9.296 3.110 10.842 1.00 44.02 H new ATOM 0 HB3 TYR A 37 -9.759 2.220 12.279 1.00 44.02 H new ATOM 0 HD1 TYR A 37 -11.687 0.565 12.150 1.00 42.34 H new ATOM 0 HD2 TYR A 37 -10.112 2.444 8.650 1.00 63.11 H new ATOM 0 HE1 TYR A 37 -12.690 -1.180 10.750 1.00 3.35 H new ATOM 0 HE2 TYR A 37 -11.152 0.712 7.254 1.00 54.23 H new ATOM 0 HH TYR A 37 -12.312 -1.181 7.200 1.00 44.34 H new ATOM 617 N PRO A 38 -10.647 5.672 13.627 1.00 34.24 N ATOM 618 CA PRO A 38 -9.916 6.782 14.314 1.00 14.32 C ATOM 619 C PRO A 38 -8.535 6.394 14.906 1.00 2.33 C ATOM 620 O PRO A 38 -7.584 7.186 14.837 1.00 2.14 O ATOM 621 CB PRO A 38 -10.899 7.213 15.433 1.00 43.54 C ATOM 622 CG PRO A 38 -12.246 6.780 14.937 1.00 2.12 C ATOM 623 CD PRO A 38 -11.998 5.472 14.224 1.00 62.23 C ATOM 0 HA PRO A 38 -9.660 7.569 13.604 1.00 14.32 H new ATOM 0 HB2 PRO A 38 -10.654 6.736 16.382 1.00 43.54 H new ATOM 0 HB3 PRO A 38 -10.864 8.290 15.599 1.00 43.54 H new ATOM 0 HG2 PRO A 38 -12.948 6.653 15.761 1.00 2.12 H new ATOM 0 HG3 PRO A 38 -12.676 7.521 14.263 1.00 2.12 H new ATOM 0 HD2 PRO A 38 -12.015 4.627 14.912 1.00 62.23 H new ATOM 0 HD3 PRO A 38 -12.752 5.278 13.462 1.00 62.23 H new ATOM 631 N ASN A 39 -8.429 5.171 15.474 1.00 0.21 N ATOM 632 CA ASN A 39 -7.216 4.718 16.211 1.00 22.23 C ATOM 633 C ASN A 39 -6.389 3.696 15.404 1.00 50.33 C ATOM 634 O ASN A 39 -5.431 3.115 15.936 1.00 32.31 O ATOM 635 CB ASN A 39 -7.609 4.132 17.602 1.00 12.01 C ATOM 636 CG ASN A 39 -8.229 5.174 18.551 1.00 50.24 C ATOM 637 OD1 ASN A 39 -7.885 6.357 18.512 1.00 71.20 O ATOM 638 ND2 ASN A 39 -9.155 4.750 19.401 1.00 13.12 N ATOM 0 H ASN A 39 -9.172 4.473 15.438 1.00 0.21 H new ATOM 0 HA ASN A 39 -6.584 5.593 16.361 1.00 22.23 H new ATOM 0 HB2 ASN A 39 -8.317 3.316 17.457 1.00 12.01 H new ATOM 0 HB3 ASN A 39 -6.723 3.705 18.072 1.00 12.01 H new ATOM 0 HD21 ASN A 39 -9.599 5.408 20.041 1.00 13.12 H new ATOM 0 HD22 ASN A 39 -9.423 3.766 19.414 1.00 13.12 H new ATOM 645 N ALA A 40 -6.747 3.483 14.125 1.00 34.23 N ATOM 646 CA ALA A 40 -5.955 2.639 13.216 1.00 25.10 C ATOM 647 C ALA A 40 -4.840 3.492 12.592 1.00 35.21 C ATOM 648 O ALA A 40 -5.105 4.338 11.730 1.00 50.13 O ATOM 649 CB ALA A 40 -6.839 1.995 12.138 1.00 15.11 C ATOM 0 H ALA A 40 -7.582 3.885 13.698 1.00 34.23 H new ATOM 0 HA ALA A 40 -5.508 1.821 13.781 1.00 25.10 H new ATOM 0 HB1 ALA A 40 -6.223 1.378 11.483 1.00 15.11 H new ATOM 0 HB2 ALA A 40 -7.598 1.374 12.613 1.00 15.11 H new ATOM 0 HB3 ALA A 40 -7.324 2.775 11.551 1.00 15.11 H new ATOM 655 N THR A 41 -3.600 3.276 13.053 1.00 73.21 N ATOM 656 CA THR A 41 -2.434 4.056 12.634 1.00 55.20 C ATOM 657 C THR A 41 -1.658 3.275 11.568 1.00 74.04 C ATOM 658 O THR A 41 -1.116 2.204 11.851 1.00 43.32 O ATOM 659 CB THR A 41 -1.508 4.338 13.866 1.00 50.41 C ATOM 660 OG1 THR A 41 -2.264 4.964 14.919 1.00 71.25 O ATOM 661 CG2 THR A 41 -0.299 5.217 13.502 1.00 55.23 C ATOM 0 H THR A 41 -3.380 2.548 13.733 1.00 73.21 H new ATOM 0 HA THR A 41 -2.766 5.007 12.218 1.00 55.20 H new ATOM 0 HB THR A 41 -1.123 3.376 14.205 1.00 50.41 H new ATOM 0 HG1 THR A 41 -1.678 5.135 15.685 1.00 71.25 H new ATOM 0 HG21 THR A 41 0.311 5.383 14.390 1.00 55.23 H new ATOM 0 HG22 THR A 41 0.298 4.717 12.740 1.00 55.23 H new ATOM 0 HG23 THR A 41 -0.648 6.175 13.118 1.00 55.23 H new ATOM 669 N ILE A 42 -1.627 3.814 10.345 1.00 41.51 N ATOM 670 CA ILE A 42 -0.891 3.221 9.220 1.00 55.22 C ATOM 671 C ILE A 42 0.498 3.875 9.135 1.00 51.44 C ATOM 672 O ILE A 42 0.651 5.076 9.394 1.00 32.03 O ATOM 673 CB ILE A 42 -1.662 3.413 7.864 1.00 23.21 C ATOM 674 CG1 ILE A 42 -3.134 2.918 7.995 1.00 54.24 C ATOM 675 CG2 ILE A 42 -0.933 2.700 6.687 1.00 24.13 C ATOM 676 CD1 ILE A 42 -4.002 3.251 6.802 1.00 32.30 C ATOM 0 H ILE A 42 -2.113 4.678 10.105 1.00 41.51 H new ATOM 0 HA ILE A 42 -0.792 2.149 9.392 1.00 55.22 H new ATOM 0 HB ILE A 42 -1.679 4.479 7.637 1.00 23.21 H new ATOM 0 HG12 ILE A 42 -3.132 1.838 8.140 1.00 54.24 H new ATOM 0 HG13 ILE A 42 -3.577 3.359 8.888 1.00 54.24 H new ATOM 0 HG21 ILE A 42 -1.494 2.854 5.765 1.00 24.13 H new ATOM 0 HG22 ILE A 42 0.069 3.114 6.575 1.00 24.13 H new ATOM 0 HG23 ILE A 42 -0.863 1.632 6.896 1.00 24.13 H new ATOM 0 HD11 ILE A 42 -5.011 2.874 6.969 1.00 32.30 H new ATOM 0 HD12 ILE A 42 -4.037 4.332 6.668 1.00 32.30 H new ATOM 0 HD13 ILE A 42 -3.585 2.788 5.908 1.00 32.30 H new ATOM 688 N THR A 43 1.507 3.065 8.821 1.00 43.15 N ATOM 689 CA THR A 43 2.889 3.494 8.666 1.00 10.23 C ATOM 690 C THR A 43 3.413 2.890 7.357 1.00 41.51 C ATOM 691 O THR A 43 3.589 1.670 7.260 1.00 51.41 O ATOM 692 CB THR A 43 3.738 3.023 9.897 1.00 0.05 C ATOM 693 OG1 THR A 43 3.171 3.561 11.115 1.00 75.12 O ATOM 694 CG2 THR A 43 5.214 3.440 9.780 1.00 14.22 C ATOM 0 H THR A 43 1.379 2.065 8.664 1.00 43.15 H new ATOM 0 HA THR A 43 2.962 4.581 8.624 1.00 10.23 H new ATOM 0 HB THR A 43 3.708 1.934 9.920 1.00 0.05 H new ATOM 0 HG1 THR A 43 3.703 3.264 11.883 1.00 75.12 H new ATOM 0 HG21 THR A 43 5.761 3.091 10.656 1.00 14.22 H new ATOM 0 HG22 THR A 43 5.647 2.998 8.882 1.00 14.22 H new ATOM 0 HG23 THR A 43 5.281 4.526 9.719 1.00 14.22 H new ATOM 702 N ARG A 44 3.628 3.735 6.344 1.00 11.44 N ATOM 703 CA ARG A 44 4.066 3.284 5.012 1.00 60.45 C ATOM 704 C ARG A 44 5.576 3.518 4.885 1.00 14.02 C ATOM 705 O ARG A 44 6.116 4.503 5.415 1.00 24.11 O ATOM 706 CB ARG A 44 3.283 4.010 3.861 1.00 52.24 C ATOM 707 CG ARG A 44 3.765 5.441 3.466 1.00 23.12 C ATOM 708 CD ARG A 44 3.512 6.523 4.539 1.00 41.01 C ATOM 709 NE ARG A 44 2.105 6.963 4.590 1.00 23.15 N ATOM 710 CZ ARG A 44 1.667 8.178 4.235 1.00 14.10 C ATOM 711 NH1 ARG A 44 2.500 9.123 3.809 1.00 23.25 N ATOM 712 NH2 ARG A 44 0.381 8.454 4.320 1.00 55.21 N ATOM 0 H ARG A 44 3.505 4.745 6.419 1.00 11.44 H new ATOM 0 HA ARG A 44 3.848 2.221 4.910 1.00 60.45 H new ATOM 0 HB2 ARG A 44 3.328 3.381 2.972 1.00 52.24 H new ATOM 0 HB3 ARG A 44 2.235 4.075 4.153 1.00 52.24 H new ATOM 0 HG2 ARG A 44 4.833 5.404 3.251 1.00 23.12 H new ATOM 0 HG3 ARG A 44 3.264 5.738 2.544 1.00 23.12 H new ATOM 0 HD2 ARG A 44 3.801 6.134 5.515 1.00 41.01 H new ATOM 0 HD3 ARG A 44 4.150 7.384 4.337 1.00 41.01 H new ATOM 0 HE ARG A 44 1.413 6.291 4.921 1.00 23.15 H new ATOM 0 HH11 ARG A 44 3.500 8.931 3.746 1.00 23.25 H new ATOM 0 HH12 ARG A 44 2.139 10.040 3.545 1.00 23.25 H new ATOM 0 HH21 ARG A 44 -0.272 7.745 4.654 1.00 55.21 H new ATOM 0 HH22 ARG A 44 0.039 9.377 4.052 1.00 55.21 H new ATOM 726 N THR A 45 6.265 2.584 4.225 1.00 21.03 N ATOM 727 CA THR A 45 7.702 2.685 3.973 1.00 45.20 C ATOM 728 C THR A 45 7.984 2.143 2.564 1.00 23.02 C ATOM 729 O THR A 45 7.833 0.944 2.321 1.00 10.35 O ATOM 730 CB THR A 45 8.530 1.889 5.053 1.00 40.01 C ATOM 731 OG1 THR A 45 8.118 2.267 6.381 1.00 21.22 O ATOM 732 CG2 THR A 45 10.038 2.151 4.911 1.00 54.13 C ATOM 0 H THR A 45 5.840 1.736 3.850 1.00 21.03 H new ATOM 0 HA THR A 45 8.010 3.728 4.041 1.00 45.20 H new ATOM 0 HB THR A 45 8.338 0.829 4.890 1.00 40.01 H new ATOM 0 HG1 THR A 45 8.639 1.764 7.041 1.00 21.22 H new ATOM 0 HG21 THR A 45 10.578 1.587 5.671 1.00 54.13 H new ATOM 0 HG22 THR A 45 10.370 1.837 3.921 1.00 54.13 H new ATOM 0 HG23 THR A 45 10.236 3.215 5.040 1.00 54.13 H new ATOM 740 N LEU A 46 8.336 3.038 1.625 1.00 12.42 N ATOM 741 CA LEU A 46 8.663 2.657 0.244 1.00 60.23 C ATOM 742 C LEU A 46 10.165 2.833 0.011 1.00 20.45 C ATOM 743 O LEU A 46 10.716 3.910 0.267 1.00 70.41 O ATOM 744 CB LEU A 46 7.868 3.495 -0.790 1.00 55.44 C ATOM 745 CG LEU A 46 6.312 3.325 -0.790 1.00 61.41 C ATOM 746 CD1 LEU A 46 5.629 4.132 0.338 1.00 23.45 C ATOM 747 CD2 LEU A 46 5.719 3.676 -2.163 1.00 40.33 C ATOM 0 H LEU A 46 8.401 4.040 1.803 1.00 12.42 H new ATOM 0 HA LEU A 46 8.382 1.613 0.106 1.00 60.23 H new ATOM 0 HB2 LEU A 46 8.095 4.548 -0.620 1.00 55.44 H new ATOM 0 HB3 LEU A 46 8.237 3.246 -1.785 1.00 55.44 H new ATOM 0 HG LEU A 46 6.108 2.273 -0.589 1.00 61.41 H new ATOM 0 HD11 LEU A 46 4.551 3.979 0.293 1.00 23.45 H new ATOM 0 HD12 LEU A 46 6.003 3.795 1.305 1.00 23.45 H new ATOM 0 HD13 LEU A 46 5.851 5.192 0.213 1.00 23.45 H new ATOM 0 HD21 LEU A 46 4.637 3.549 -2.135 1.00 40.33 H new ATOM 0 HD22 LEU A 46 5.957 4.711 -2.408 1.00 40.33 H new ATOM 0 HD23 LEU A 46 6.142 3.017 -2.921 1.00 40.33 H new ATOM 759 N THR A 47 10.815 1.761 -0.444 1.00 22.35 N ATOM 760 CA THR A 47 12.240 1.757 -0.789 1.00 62.42 C ATOM 761 C THR A 47 12.414 0.985 -2.099 1.00 41.21 C ATOM 762 O THR A 47 11.939 -0.145 -2.203 1.00 62.13 O ATOM 763 CB THR A 47 13.095 1.092 0.345 1.00 35.21 C ATOM 764 OG1 THR A 47 12.847 1.749 1.602 1.00 32.01 O ATOM 765 CG2 THR A 47 14.604 1.137 0.037 1.00 22.13 C ATOM 0 H THR A 47 10.362 0.858 -0.586 1.00 22.35 H new ATOM 0 HA THR A 47 12.587 2.784 -0.903 1.00 62.42 H new ATOM 0 HB THR A 47 12.794 0.046 0.403 1.00 35.21 H new ATOM 0 HG1 THR A 47 13.384 1.326 2.304 1.00 32.01 H new ATOM 0 HG21 THR A 47 15.156 0.665 0.850 1.00 22.13 H new ATOM 0 HG22 THR A 47 14.802 0.604 -0.893 1.00 22.13 H new ATOM 0 HG23 THR A 47 14.924 2.174 -0.064 1.00 22.13 H new ATOM 773 N ARG A 48 13.085 1.590 -3.097 1.00 75.44 N ATOM 774 CA ARG A 48 13.335 0.905 -4.373 1.00 31.54 C ATOM 775 C ARG A 48 14.589 0.040 -4.196 1.00 34.11 C ATOM 776 O ARG A 48 15.720 0.533 -4.269 1.00 75.31 O ATOM 777 CB ARG A 48 13.504 1.898 -5.573 1.00 43.13 C ATOM 778 CG ARG A 48 12.309 2.857 -5.816 1.00 61.05 C ATOM 779 CD ARG A 48 12.376 4.124 -4.957 1.00 25.51 C ATOM 780 NE ARG A 48 13.569 4.931 -5.262 1.00 22.33 N ATOM 781 CZ ARG A 48 13.915 6.090 -4.666 1.00 15.35 C ATOM 782 NH1 ARG A 48 13.163 6.626 -3.700 1.00 52.23 N ATOM 783 NH2 ARG A 48 15.022 6.715 -5.056 1.00 4.31 N ATOM 0 H ARG A 48 13.458 2.538 -3.044 1.00 75.44 H new ATOM 0 HA ARG A 48 12.470 0.291 -4.622 1.00 31.54 H new ATOM 0 HB2 ARG A 48 14.400 2.496 -5.404 1.00 43.13 H new ATOM 0 HB3 ARG A 48 13.674 1.319 -6.481 1.00 43.13 H new ATOM 0 HG2 ARG A 48 12.284 3.139 -6.869 1.00 61.05 H new ATOM 0 HG3 ARG A 48 11.378 2.330 -5.605 1.00 61.05 H new ATOM 0 HD2 ARG A 48 11.480 4.723 -5.123 1.00 25.51 H new ATOM 0 HD3 ARG A 48 12.384 3.848 -3.903 1.00 25.51 H new ATOM 0 HE ARG A 48 14.191 4.581 -5.991 1.00 22.33 H new ATOM 0 HH11 ARG A 48 12.308 6.157 -3.400 1.00 52.23 H new ATOM 0 HH12 ARG A 48 13.444 7.504 -3.263 1.00 52.23 H new ATOM 0 HH21 ARG A 48 15.598 6.317 -5.798 1.00 4.31 H new ATOM 0 HH22 ARG A 48 15.295 7.592 -4.613 1.00 4.31 H new ATOM 797 N ASP A 49 14.353 -1.242 -3.900 1.00 64.33 N ATOM 798 CA ASP A 49 15.405 -2.252 -3.747 1.00 21.44 C ATOM 799 C ASP A 49 15.983 -2.574 -5.138 1.00 31.23 C ATOM 800 O ASP A 49 15.478 -3.463 -5.836 1.00 55.14 O ATOM 801 CB ASP A 49 14.819 -3.518 -3.060 1.00 71.23 C ATOM 802 CG ASP A 49 15.882 -4.578 -2.706 1.00 72.02 C ATOM 803 OD1 ASP A 49 16.477 -4.491 -1.611 1.00 23.24 O ATOM 804 OD2 ASP A 49 16.120 -5.505 -3.507 1.00 2.43 O ATOM 0 H ASP A 49 13.413 -1.612 -3.758 1.00 64.33 H new ATOM 0 HA ASP A 49 16.210 -1.878 -3.114 1.00 21.44 H new ATOM 0 HB2 ASP A 49 14.299 -3.219 -2.150 1.00 71.23 H new ATOM 0 HB3 ASP A 49 14.076 -3.967 -3.719 1.00 71.23 H new ATOM 809 N ASP A 50 16.996 -1.774 -5.542 1.00 22.04 N ATOM 810 CA ASP A 50 17.628 -1.815 -6.879 1.00 24.43 C ATOM 811 C ASP A 50 16.636 -1.338 -7.974 1.00 63.11 C ATOM 812 O ASP A 50 16.757 -0.215 -8.488 1.00 44.41 O ATOM 813 CB ASP A 50 18.218 -3.227 -7.177 1.00 15.32 C ATOM 814 CG ASP A 50 18.893 -3.342 -8.554 1.00 10.21 C ATOM 815 OD1 ASP A 50 20.090 -3.000 -8.671 1.00 10.33 O ATOM 816 OD2 ASP A 50 18.227 -3.766 -9.532 1.00 72.41 O ATOM 0 H ASP A 50 17.406 -1.066 -4.933 1.00 22.04 H new ATOM 0 HA ASP A 50 18.467 -1.119 -6.888 1.00 24.43 H new ATOM 0 HB2 ASP A 50 18.946 -3.476 -6.405 1.00 15.32 H new ATOM 0 HB3 ASP A 50 17.419 -3.965 -7.112 1.00 15.32 H new ATOM 821 N GLY A 51 15.660 -2.191 -8.308 1.00 0.41 N ATOM 822 CA GLY A 51 14.600 -1.862 -9.269 1.00 43.22 C ATOM 823 C GLY A 51 13.213 -2.262 -8.768 1.00 24.31 C ATOM 824 O GLY A 51 12.200 -1.793 -9.293 1.00 11.04 O ATOM 0 H GLY A 51 15.583 -3.131 -7.919 1.00 0.41 H new ATOM 0 HA2 GLY A 51 14.615 -0.791 -9.470 1.00 43.22 H new ATOM 0 HA3 GLY A 51 14.801 -2.366 -10.214 1.00 43.22 H new ATOM 828 N THR A 52 13.172 -3.137 -7.746 1.00 52.21 N ATOM 829 CA THR A 52 11.928 -3.634 -7.145 1.00 61.01 C ATOM 830 C THR A 52 11.515 -2.705 -5.988 1.00 32.10 C ATOM 831 O THR A 52 12.241 -2.581 -5.004 1.00 13.44 O ATOM 832 CB THR A 52 12.128 -5.093 -6.618 1.00 13.40 C ATOM 833 OG1 THR A 52 12.583 -5.944 -7.685 1.00 42.34 O ATOM 834 CG2 THR A 52 10.838 -5.684 -6.034 1.00 43.52 C ATOM 0 H THR A 52 14.012 -3.520 -7.313 1.00 52.21 H new ATOM 0 HA THR A 52 11.142 -3.644 -7.900 1.00 61.01 H new ATOM 0 HB THR A 52 12.871 -5.043 -5.822 1.00 13.40 H new ATOM 0 HG1 THR A 52 12.707 -6.855 -7.346 1.00 42.34 H new ATOM 0 HG21 THR A 52 11.029 -6.698 -5.682 1.00 43.52 H new ATOM 0 HG22 THR A 52 10.500 -5.068 -5.201 1.00 43.52 H new ATOM 0 HG23 THR A 52 10.067 -5.707 -6.804 1.00 43.52 H new ATOM 842 N VAL A 53 10.343 -2.063 -6.117 1.00 3.04 N ATOM 843 CA VAL A 53 9.847 -1.105 -5.118 1.00 63.04 C ATOM 844 C VAL A 53 9.163 -1.888 -3.997 1.00 63.02 C ATOM 845 O VAL A 53 8.045 -2.369 -4.158 1.00 10.22 O ATOM 846 CB VAL A 53 8.831 -0.075 -5.754 1.00 33.14 C ATOM 847 CG1 VAL A 53 8.464 1.046 -4.747 1.00 34.01 C ATOM 848 CG2 VAL A 53 9.397 0.499 -7.063 1.00 32.21 C ATOM 0 H VAL A 53 9.717 -2.193 -6.912 1.00 3.04 H new ATOM 0 HA VAL A 53 10.689 -0.533 -4.728 1.00 63.04 H new ATOM 0 HB VAL A 53 7.909 -0.604 -5.993 1.00 33.14 H new ATOM 0 HG11 VAL A 53 7.764 1.739 -5.213 1.00 34.01 H new ATOM 0 HG12 VAL A 53 8.003 0.605 -3.863 1.00 34.01 H new ATOM 0 HG13 VAL A 53 9.367 1.583 -4.456 1.00 34.01 H new ATOM 0 HG21 VAL A 53 8.685 1.206 -7.488 1.00 32.21 H new ATOM 0 HG22 VAL A 53 10.338 1.010 -6.859 1.00 32.21 H new ATOM 0 HG23 VAL A 53 9.570 -0.312 -7.771 1.00 32.21 H new ATOM 858 N GLU A 54 9.841 -2.019 -2.857 1.00 44.22 N ATOM 859 CA GLU A 54 9.331 -2.781 -1.726 1.00 73.54 C ATOM 860 C GLU A 54 8.516 -1.832 -0.846 1.00 63.33 C ATOM 861 O GLU A 54 9.057 -0.888 -0.251 1.00 23.54 O ATOM 862 CB GLU A 54 10.480 -3.442 -0.926 1.00 72.45 C ATOM 863 CG GLU A 54 9.994 -4.390 0.197 1.00 13.11 C ATOM 864 CD GLU A 54 11.140 -5.004 1.010 1.00 21.51 C ATOM 865 OE1 GLU A 54 11.703 -6.034 0.580 1.00 72.23 O ATOM 866 OE2 GLU A 54 11.482 -4.460 2.083 1.00 20.32 O ATOM 0 H GLU A 54 10.757 -1.600 -2.695 1.00 44.22 H new ATOM 0 HA GLU A 54 8.697 -3.593 -2.083 1.00 73.54 H new ATOM 0 HB2 GLU A 54 11.113 -4.003 -1.613 1.00 72.45 H new ATOM 0 HB3 GLU A 54 11.100 -2.661 -0.486 1.00 72.45 H new ATOM 0 HG2 GLU A 54 9.336 -3.839 0.869 1.00 13.11 H new ATOM 0 HG3 GLU A 54 9.401 -5.191 -0.244 1.00 13.11 H new ATOM 873 N LEU A 55 7.207 -2.042 -0.848 1.00 3.23 N ATOM 874 CA LEU A 55 6.264 -1.334 0.001 1.00 35.11 C ATOM 875 C LEU A 55 6.015 -2.149 1.280 1.00 33.43 C ATOM 876 O LEU A 55 5.636 -3.309 1.218 1.00 24.53 O ATOM 877 CB LEU A 55 4.930 -1.122 -0.757 1.00 23.33 C ATOM 878 CG LEU A 55 3.751 -0.573 0.103 1.00 30.41 C ATOM 879 CD1 LEU A 55 4.105 0.781 0.744 1.00 21.13 C ATOM 880 CD2 LEU A 55 2.445 -0.501 -0.711 1.00 34.55 C ATOM 0 H LEU A 55 6.762 -2.728 -1.457 1.00 3.23 H new ATOM 0 HA LEU A 55 6.677 -0.361 0.268 1.00 35.11 H new ATOM 0 HB2 LEU A 55 5.107 -0.433 -1.583 1.00 23.33 H new ATOM 0 HB3 LEU A 55 4.626 -2.073 -1.195 1.00 23.33 H new ATOM 0 HG LEU A 55 3.581 -1.278 0.917 1.00 30.41 H new ATOM 0 HD11 LEU A 55 3.261 1.135 1.336 1.00 21.13 H new ATOM 0 HD12 LEU A 55 4.976 0.662 1.388 1.00 21.13 H new ATOM 0 HD13 LEU A 55 4.329 1.506 -0.038 1.00 21.13 H new ATOM 0 HD21 LEU A 55 1.644 -0.114 -0.081 1.00 34.55 H new ATOM 0 HD22 LEU A 55 2.585 0.160 -1.566 1.00 34.55 H new ATOM 0 HD23 LEU A 55 2.180 -1.498 -1.063 1.00 34.55 H new ATOM 892 N ARG A 56 6.220 -1.522 2.434 1.00 53.11 N ATOM 893 CA ARG A 56 5.895 -2.104 3.738 1.00 41.01 C ATOM 894 C ARG A 56 4.753 -1.296 4.359 1.00 3.33 C ATOM 895 O ARG A 56 4.937 -0.125 4.710 1.00 43.04 O ATOM 896 CB ARG A 56 7.151 -2.128 4.645 1.00 21.42 C ATOM 897 CG ARG A 56 8.225 -3.150 4.195 1.00 45.14 C ATOM 898 CD ARG A 56 9.531 -3.024 4.990 1.00 31.43 C ATOM 899 NE ARG A 56 9.317 -3.110 6.451 1.00 23.12 N ATOM 900 CZ ARG A 56 10.289 -3.198 7.371 1.00 23.34 C ATOM 901 NH1 ARG A 56 11.571 -3.217 7.010 1.00 43.24 N ATOM 902 NH2 ARG A 56 9.969 -3.273 8.661 1.00 32.01 N ATOM 0 H ARG A 56 6.620 -0.586 2.494 1.00 53.11 H new ATOM 0 HA ARG A 56 5.570 -3.138 3.624 1.00 41.01 H new ATOM 0 HB2 ARG A 56 7.594 -1.132 4.663 1.00 21.42 H new ATOM 0 HB3 ARG A 56 6.847 -2.360 5.666 1.00 21.42 H new ATOM 0 HG2 ARG A 56 7.831 -4.160 4.309 1.00 45.14 H new ATOM 0 HG3 ARG A 56 8.434 -3.008 3.135 1.00 45.14 H new ATOM 0 HD2 ARG A 56 10.218 -3.811 4.680 1.00 31.43 H new ATOM 0 HD3 ARG A 56 10.007 -2.073 4.751 1.00 31.43 H new ATOM 0 HE ARG A 56 8.353 -3.102 6.786 1.00 23.12 H new ATOM 0 HH11 ARG A 56 11.824 -3.164 6.023 1.00 43.24 H new ATOM 0 HH12 ARG A 56 12.300 -3.284 7.720 1.00 43.24 H new ATOM 0 HH21 ARG A 56 8.989 -3.263 8.945 1.00 32.01 H new ATOM 0 HH22 ARG A 56 10.703 -3.340 9.366 1.00 32.01 H new ATOM 916 N ILE A 57 3.553 -1.907 4.412 1.00 32.41 N ATOM 917 CA ILE A 57 2.369 -1.301 5.048 1.00 10.25 C ATOM 918 C ILE A 57 2.225 -1.881 6.464 1.00 44.21 C ATOM 919 O ILE A 57 2.002 -3.086 6.635 1.00 4.22 O ATOM 920 CB ILE A 57 1.048 -1.537 4.213 1.00 72.11 C ATOM 921 CG1 ILE A 57 1.097 -0.789 2.845 1.00 61.42 C ATOM 922 CG2 ILE A 57 -0.211 -1.108 5.004 1.00 44.23 C ATOM 923 CD1 ILE A 57 1.093 0.734 2.946 1.00 22.45 C ATOM 0 H ILE A 57 3.379 -2.831 4.016 1.00 32.41 H new ATOM 0 HA ILE A 57 2.515 -0.222 5.092 1.00 10.25 H new ATOM 0 HB ILE A 57 0.985 -2.608 4.021 1.00 72.11 H new ATOM 0 HG12 ILE A 57 1.993 -1.101 2.309 1.00 61.42 H new ATOM 0 HG13 ILE A 57 0.242 -1.101 2.246 1.00 61.42 H new ATOM 0 HG21 ILE A 57 -1.099 -1.285 4.398 1.00 44.23 H new ATOM 0 HG22 ILE A 57 -0.278 -1.688 5.924 1.00 44.23 H new ATOM 0 HG23 ILE A 57 -0.144 -0.048 5.248 1.00 44.23 H new ATOM 0 HD11 ILE A 57 1.129 1.165 1.946 1.00 22.45 H new ATOM 0 HD12 ILE A 57 0.184 1.063 3.450 1.00 22.45 H new ATOM 0 HD13 ILE A 57 1.963 1.063 3.514 1.00 22.45 H new ATOM 935 N LYS A 58 2.379 -1.004 7.459 1.00 62.21 N ATOM 936 CA LYS A 58 2.317 -1.353 8.877 1.00 43.25 C ATOM 937 C LYS A 58 1.055 -0.711 9.477 1.00 64.10 C ATOM 938 O LYS A 58 1.035 0.485 9.756 1.00 44.33 O ATOM 939 CB LYS A 58 3.621 -0.839 9.556 1.00 43.53 C ATOM 940 CG LYS A 58 3.715 -1.059 11.080 1.00 11.11 C ATOM 941 CD LYS A 58 5.086 -0.616 11.655 1.00 52.14 C ATOM 942 CE LYS A 58 5.221 -0.875 13.162 1.00 41.31 C ATOM 943 NZ LYS A 58 6.549 -0.456 13.688 1.00 55.22 N ATOM 0 H LYS A 58 2.554 -0.012 7.296 1.00 62.21 H new ATOM 0 HA LYS A 58 2.253 -2.430 9.034 1.00 43.25 H new ATOM 0 HB2 LYS A 58 4.472 -1.330 9.084 1.00 43.53 H new ATOM 0 HB3 LYS A 58 3.717 0.228 9.355 1.00 43.53 H new ATOM 0 HG2 LYS A 58 2.919 -0.503 11.575 1.00 11.11 H new ATOM 0 HG3 LYS A 58 3.553 -2.114 11.303 1.00 11.11 H new ATOM 0 HD2 LYS A 58 5.881 -1.144 11.129 1.00 52.14 H new ATOM 0 HD3 LYS A 58 5.228 0.447 11.461 1.00 52.14 H new ATOM 0 HE2 LYS A 58 4.436 -0.337 13.693 1.00 41.31 H new ATOM 0 HE3 LYS A 58 5.072 -1.936 13.361 1.00 41.31 H new ATOM 0 HZ1 LYS A 58 6.595 -0.650 14.709 1.00 55.22 H new ATOM 0 HZ2 LYS A 58 7.299 -0.987 13.201 1.00 55.22 H new ATOM 0 HZ3 LYS A 58 6.683 0.562 13.522 1.00 55.22 H new ATOM 957 N VAL A 59 -0.012 -1.511 9.651 1.00 4.52 N ATOM 958 CA VAL A 59 -1.298 -1.027 10.184 1.00 40.43 C ATOM 959 C VAL A 59 -1.482 -1.536 11.621 1.00 51.43 C ATOM 960 O VAL A 59 -1.657 -2.741 11.850 1.00 32.13 O ATOM 961 CB VAL A 59 -2.533 -1.469 9.304 1.00 23.02 C ATOM 962 CG1 VAL A 59 -3.858 -0.917 9.883 1.00 52.42 C ATOM 963 CG2 VAL A 59 -2.358 -1.034 7.835 1.00 63.23 C ATOM 0 H VAL A 59 -0.008 -2.506 9.427 1.00 4.52 H new ATOM 0 HA VAL A 59 -1.264 0.062 10.164 1.00 40.43 H new ATOM 0 HB VAL A 59 -2.580 -2.558 9.329 1.00 23.02 H new ATOM 0 HG11 VAL A 59 -4.690 -1.237 9.256 1.00 52.42 H new ATOM 0 HG12 VAL A 59 -3.999 -1.296 10.895 1.00 52.42 H new ATOM 0 HG13 VAL A 59 -3.819 0.172 9.906 1.00 52.42 H new ATOM 0 HG21 VAL A 59 -3.224 -1.353 7.255 1.00 63.23 H new ATOM 0 HG22 VAL A 59 -2.268 0.051 7.785 1.00 63.23 H new ATOM 0 HG23 VAL A 59 -1.458 -1.492 7.425 1.00 63.23 H new ATOM 973 N LYS A 60 -1.395 -0.609 12.581 1.00 41.31 N ATOM 974 CA LYS A 60 -1.763 -0.850 13.973 1.00 62.31 C ATOM 975 C LYS A 60 -3.283 -0.596 14.089 1.00 61.21 C ATOM 976 O LYS A 60 -3.721 0.547 13.989 1.00 25.51 O ATOM 977 CB LYS A 60 -0.973 0.128 14.887 1.00 13.12 C ATOM 978 CG LYS A 60 -1.181 -0.090 16.400 1.00 14.55 C ATOM 979 CD LYS A 60 -0.562 1.042 17.262 1.00 44.31 C ATOM 980 CE LYS A 60 -1.267 2.396 17.052 1.00 55.32 C ATOM 981 NZ LYS A 60 -0.652 3.491 17.858 1.00 71.33 N ATOM 0 H LYS A 60 -1.063 0.340 12.407 1.00 41.31 H new ATOM 0 HA LYS A 60 -1.526 -1.868 14.281 1.00 62.31 H new ATOM 0 HB2 LYS A 60 0.090 0.034 14.663 1.00 13.12 H new ATOM 0 HB3 LYS A 60 -1.262 1.149 14.638 1.00 13.12 H new ATOM 0 HG2 LYS A 60 -2.249 -0.157 16.609 1.00 14.55 H new ATOM 0 HG3 LYS A 60 -0.739 -1.043 16.689 1.00 14.55 H new ATOM 0 HD2 LYS A 60 -0.620 0.765 18.315 1.00 44.31 H new ATOM 0 HD3 LYS A 60 0.495 1.144 17.017 1.00 44.31 H new ATOM 0 HE2 LYS A 60 -1.229 2.662 15.996 1.00 55.32 H new ATOM 0 HE3 LYS A 60 -2.319 2.299 17.319 1.00 55.32 H new ATOM 0 HZ1 LYS A 60 -1.162 4.380 17.682 1.00 71.33 H new ATOM 0 HZ2 LYS A 60 -0.710 3.253 18.869 1.00 71.33 H new ATOM 0 HZ3 LYS A 60 0.345 3.604 17.586 1.00 71.33 H new ATOM 995 N ALA A 61 -4.062 -1.660 14.271 1.00 51.35 N ATOM 996 CA ALA A 61 -5.540 -1.608 14.328 1.00 11.42 C ATOM 997 C ALA A 61 -6.040 -2.657 15.329 1.00 41.13 C ATOM 998 O ALA A 61 -5.245 -3.452 15.834 1.00 71.44 O ATOM 999 CB ALA A 61 -6.142 -1.844 12.931 1.00 24.01 C ATOM 0 H ALA A 61 -3.688 -2.602 14.386 1.00 51.35 H new ATOM 0 HA ALA A 61 -5.859 -0.620 14.660 1.00 11.42 H new ATOM 0 HB1 ALA A 61 -7.230 -1.802 12.992 1.00 24.01 H new ATOM 0 HB2 ALA A 61 -5.787 -1.073 12.247 1.00 24.01 H new ATOM 0 HB3 ALA A 61 -5.836 -2.824 12.564 1.00 24.01 H new ATOM 1005 N ASP A 62 -7.359 -2.669 15.596 1.00 13.31 N ATOM 1006 CA ASP A 62 -7.972 -3.555 16.606 1.00 40.11 C ATOM 1007 C ASP A 62 -7.785 -5.046 16.230 1.00 14.13 C ATOM 1008 O ASP A 62 -7.032 -5.773 16.890 1.00 43.03 O ATOM 1009 CB ASP A 62 -9.479 -3.211 16.763 1.00 55.33 C ATOM 1010 CG ASP A 62 -10.170 -3.988 17.899 1.00 15.42 C ATOM 1011 OD1 ASP A 62 -10.632 -5.126 17.668 1.00 31.42 O ATOM 1012 OD2 ASP A 62 -10.264 -3.458 19.024 1.00 73.34 O ATOM 0 H ASP A 62 -8.030 -2.066 15.119 1.00 13.31 H new ATOM 0 HA ASP A 62 -7.470 -3.392 17.560 1.00 40.11 H new ATOM 0 HB2 ASP A 62 -9.582 -2.142 16.949 1.00 55.33 H new ATOM 0 HB3 ASP A 62 -9.992 -3.422 15.825 1.00 55.33 H new ATOM 1017 N THR A 63 -8.461 -5.466 15.146 1.00 3.35 N ATOM 1018 CA THR A 63 -8.471 -6.867 14.671 1.00 31.45 C ATOM 1019 C THR A 63 -7.567 -7.008 13.434 1.00 31.25 C ATOM 1020 O THR A 63 -7.478 -6.070 12.631 1.00 54.43 O ATOM 1021 CB THR A 63 -9.937 -7.314 14.329 1.00 3.41 C ATOM 1022 OG1 THR A 63 -10.786 -7.112 15.475 1.00 63.03 O ATOM 1023 CG2 THR A 63 -10.032 -8.792 13.889 1.00 14.03 C ATOM 0 H THR A 63 -9.021 -4.840 14.568 1.00 3.35 H new ATOM 0 HA THR A 63 -8.088 -7.511 15.462 1.00 31.45 H new ATOM 0 HB THR A 63 -10.263 -6.701 13.489 1.00 3.41 H new ATOM 0 HG1 THR A 63 -10.465 -6.342 15.989 1.00 63.03 H new ATOM 0 HG21 THR A 63 -11.070 -9.039 13.667 1.00 14.03 H new ATOM 0 HG22 THR A 63 -9.423 -8.946 12.998 1.00 14.03 H new ATOM 0 HG23 THR A 63 -9.670 -9.435 14.691 1.00 14.03 H new ATOM 1031 N GLU A 64 -6.916 -8.189 13.295 1.00 33.42 N ATOM 1032 CA GLU A 64 -6.049 -8.512 12.145 1.00 33.34 C ATOM 1033 C GLU A 64 -6.814 -8.391 10.810 1.00 55.33 C ATOM 1034 O GLU A 64 -6.317 -7.768 9.884 1.00 22.52 O ATOM 1035 CB GLU A 64 -5.426 -9.930 12.293 1.00 64.02 C ATOM 1036 CG GLU A 64 -6.438 -11.075 12.501 1.00 73.53 C ATOM 1037 CD GLU A 64 -5.800 -12.467 12.383 1.00 61.44 C ATOM 1038 OE1 GLU A 64 -5.141 -12.916 13.348 1.00 21.42 O ATOM 1039 OE2 GLU A 64 -5.934 -13.106 11.317 1.00 1.33 O ATOM 0 H GLU A 64 -6.980 -8.942 13.980 1.00 33.42 H new ATOM 0 HA GLU A 64 -5.239 -7.783 12.134 1.00 33.34 H new ATOM 0 HB2 GLU A 64 -4.837 -10.145 11.401 1.00 64.02 H new ATOM 0 HB3 GLU A 64 -4.736 -9.919 13.136 1.00 64.02 H new ATOM 0 HG2 GLU A 64 -6.896 -10.973 13.485 1.00 73.53 H new ATOM 0 HG3 GLU A 64 -7.238 -10.984 11.766 1.00 73.53 H new ATOM 1046 N GLU A 65 -8.051 -8.940 10.766 1.00 60.51 N ATOM 1047 CA GLU A 65 -8.906 -8.948 9.559 1.00 23.01 C ATOM 1048 C GLU A 65 -9.218 -7.518 9.083 1.00 34.44 C ATOM 1049 O GLU A 65 -9.160 -7.232 7.887 1.00 14.43 O ATOM 1050 CB GLU A 65 -10.222 -9.719 9.850 1.00 15.43 C ATOM 1051 CG GLU A 65 -11.154 -9.896 8.629 1.00 20.32 C ATOM 1052 CD GLU A 65 -12.482 -10.588 8.976 1.00 11.43 C ATOM 1053 OE1 GLU A 65 -12.519 -11.835 9.047 1.00 41.24 O ATOM 1054 OE2 GLU A 65 -13.493 -9.886 9.196 1.00 60.33 O ATOM 0 H GLU A 65 -8.484 -9.391 11.572 1.00 60.51 H new ATOM 0 HA GLU A 65 -8.362 -9.452 8.760 1.00 23.01 H new ATOM 0 HB2 GLU A 65 -9.970 -10.704 10.243 1.00 15.43 H new ATOM 0 HB3 GLU A 65 -10.769 -9.194 10.633 1.00 15.43 H new ATOM 0 HG2 GLU A 65 -11.364 -8.918 8.195 1.00 20.32 H new ATOM 0 HG3 GLU A 65 -10.637 -10.478 7.867 1.00 20.32 H new ATOM 1061 N LYS A 66 -9.500 -6.624 10.048 1.00 21.23 N ATOM 1062 CA LYS A 66 -9.876 -5.227 9.764 1.00 11.04 C ATOM 1063 C LYS A 66 -8.649 -4.417 9.311 1.00 4.40 C ATOM 1064 O LYS A 66 -8.756 -3.566 8.428 1.00 74.15 O ATOM 1065 CB LYS A 66 -10.541 -4.585 11.008 1.00 50.41 C ATOM 1066 CG LYS A 66 -11.745 -5.394 11.557 1.00 52.33 C ATOM 1067 CD LYS A 66 -12.582 -4.616 12.600 1.00 41.45 C ATOM 1068 CE LYS A 66 -13.275 -3.384 11.997 1.00 32.13 C ATOM 1069 NZ LYS A 66 -14.169 -2.702 12.972 1.00 45.14 N ATOM 0 H LYS A 66 -9.474 -6.848 11.043 1.00 21.23 H new ATOM 0 HA LYS A 66 -10.600 -5.219 8.950 1.00 11.04 H new ATOM 0 HB2 LYS A 66 -9.795 -4.481 11.796 1.00 50.41 H new ATOM 0 HB3 LYS A 66 -10.876 -3.580 10.752 1.00 50.41 H new ATOM 0 HG2 LYS A 66 -12.389 -5.682 10.726 1.00 52.33 H new ATOM 0 HG3 LYS A 66 -11.378 -6.315 12.010 1.00 52.33 H new ATOM 0 HD2 LYS A 66 -13.334 -5.280 13.026 1.00 41.45 H new ATOM 0 HD3 LYS A 66 -11.935 -4.301 13.419 1.00 41.45 H new ATOM 0 HE2 LYS A 66 -12.520 -2.680 11.647 1.00 32.13 H new ATOM 0 HE3 LYS A 66 -13.856 -3.687 11.126 1.00 32.13 H new ATOM 0 HZ1 LYS A 66 -14.613 -1.878 12.519 1.00 45.14 H new ATOM 0 HZ2 LYS A 66 -14.907 -3.363 13.287 1.00 45.14 H new ATOM 0 HZ3 LYS A 66 -13.612 -2.388 13.792 1.00 45.14 H new ATOM 1083 N ALA A 67 -7.488 -4.726 9.913 1.00 51.11 N ATOM 1084 CA ALA A 67 -6.193 -4.128 9.539 1.00 62.11 C ATOM 1085 C ALA A 67 -5.785 -4.551 8.116 1.00 2.21 C ATOM 1086 O ALA A 67 -5.261 -3.746 7.342 1.00 52.41 O ATOM 1087 CB ALA A 67 -5.124 -4.534 10.557 1.00 55.54 C ATOM 0 H ALA A 67 -7.420 -5.400 10.676 1.00 51.11 H new ATOM 0 HA ALA A 67 -6.291 -3.042 9.546 1.00 62.11 H new ATOM 0 HB1 ALA A 67 -4.168 -4.090 10.278 1.00 55.54 H new ATOM 0 HB2 ALA A 67 -5.412 -4.181 11.547 1.00 55.54 H new ATOM 0 HB3 ALA A 67 -5.029 -5.620 10.572 1.00 55.54 H new ATOM 1093 N LYS A 68 -6.073 -5.820 7.789 1.00 10.44 N ATOM 1094 CA LYS A 68 -5.806 -6.413 6.470 1.00 11.21 C ATOM 1095 C LYS A 68 -6.789 -5.877 5.412 1.00 53.24 C ATOM 1096 O LYS A 68 -6.444 -5.801 4.229 1.00 24.41 O ATOM 1097 CB LYS A 68 -5.896 -7.958 6.569 1.00 14.11 C ATOM 1098 CG LYS A 68 -4.746 -8.637 7.365 1.00 44.31 C ATOM 1099 CD LYS A 68 -3.432 -8.797 6.568 1.00 45.34 C ATOM 1100 CE LYS A 68 -3.600 -9.715 5.336 1.00 43.13 C ATOM 1101 NZ LYS A 68 -4.202 -11.040 5.685 1.00 12.00 N ATOM 0 H LYS A 68 -6.504 -6.473 8.443 1.00 10.44 H new ATOM 0 HA LYS A 68 -4.801 -6.132 6.156 1.00 11.21 H new ATOM 0 HB2 LYS A 68 -6.845 -8.222 7.036 1.00 14.11 H new ATOM 0 HB3 LYS A 68 -5.912 -8.371 5.560 1.00 14.11 H new ATOM 0 HG2 LYS A 68 -4.545 -8.051 8.262 1.00 44.31 H new ATOM 0 HG3 LYS A 68 -5.079 -9.621 7.695 1.00 44.31 H new ATOM 0 HD2 LYS A 68 -3.086 -7.816 6.243 1.00 45.34 H new ATOM 0 HD3 LYS A 68 -2.661 -9.207 7.221 1.00 45.34 H new ATOM 0 HE2 LYS A 68 -4.230 -9.217 4.599 1.00 43.13 H new ATOM 0 HE3 LYS A 68 -2.628 -9.873 4.870 1.00 43.13 H new ATOM 0 HZ1 LYS A 68 -4.153 -11.671 4.860 1.00 12.00 H new ATOM 0 HZ2 LYS A 68 -3.676 -11.463 6.476 1.00 12.00 H new ATOM 0 HZ3 LYS A 68 -5.196 -10.908 5.962 1.00 12.00 H new ATOM 1115 N SER A 69 -8.019 -5.521 5.846 1.00 64.32 N ATOM 1116 CA SER A 69 -9.031 -4.902 4.973 1.00 50.20 C ATOM 1117 C SER A 69 -8.545 -3.518 4.501 1.00 4.13 C ATOM 1118 O SER A 69 -8.681 -3.170 3.329 1.00 51.00 O ATOM 1119 CB SER A 69 -10.383 -4.792 5.712 1.00 33.42 C ATOM 1120 OG SER A 69 -10.877 -6.076 6.097 1.00 21.33 O ATOM 0 H SER A 69 -8.333 -5.656 6.807 1.00 64.32 H new ATOM 0 HA SER A 69 -9.177 -5.532 4.096 1.00 50.20 H new ATOM 0 HB2 SER A 69 -10.265 -4.166 6.597 1.00 33.42 H new ATOM 0 HB3 SER A 69 -11.111 -4.299 5.068 1.00 33.42 H new ATOM 0 HG SER A 69 -10.330 -6.431 6.828 1.00 21.33 H new ATOM 1126 N ILE A 70 -7.937 -2.767 5.436 1.00 14.12 N ATOM 1127 CA ILE A 70 -7.297 -1.470 5.159 1.00 44.40 C ATOM 1128 C ILE A 70 -6.180 -1.640 4.098 1.00 52.51 C ATOM 1129 O ILE A 70 -6.133 -0.905 3.099 1.00 63.23 O ATOM 1130 CB ILE A 70 -6.707 -0.867 6.484 1.00 71.40 C ATOM 1131 CG1 ILE A 70 -7.847 -0.606 7.523 1.00 62.54 C ATOM 1132 CG2 ILE A 70 -5.892 0.407 6.202 1.00 24.43 C ATOM 1133 CD1 ILE A 70 -7.361 -0.215 8.908 1.00 24.34 C ATOM 0 H ILE A 70 -7.876 -3.047 6.415 1.00 14.12 H new ATOM 0 HA ILE A 70 -8.046 -0.783 4.766 1.00 44.40 H new ATOM 0 HB ILE A 70 -6.022 -1.596 6.917 1.00 71.40 H new ATOM 0 HG12 ILE A 70 -8.494 0.184 7.142 1.00 62.54 H new ATOM 0 HG13 ILE A 70 -8.458 -1.505 7.607 1.00 62.54 H new ATOM 0 HG21 ILE A 70 -5.497 0.801 7.138 1.00 24.43 H new ATOM 0 HG22 ILE A 70 -5.066 0.170 5.531 1.00 24.43 H new ATOM 0 HG23 ILE A 70 -6.535 1.154 5.737 1.00 24.43 H new ATOM 0 HD11 ILE A 70 -8.218 -0.054 9.562 1.00 24.34 H new ATOM 0 HD12 ILE A 70 -6.740 -1.013 9.314 1.00 24.34 H new ATOM 0 HD13 ILE A 70 -6.776 0.703 8.843 1.00 24.34 H new ATOM 1145 N ILE A 71 -5.323 -2.660 4.325 1.00 41.41 N ATOM 1146 CA ILE A 71 -4.235 -3.049 3.406 1.00 1.31 C ATOM 1147 C ILE A 71 -4.796 -3.390 2.008 1.00 43.20 C ATOM 1148 O ILE A 71 -4.209 -3.014 0.996 1.00 3.13 O ATOM 1149 CB ILE A 71 -3.425 -4.278 3.981 1.00 3.50 C ATOM 1150 CG1 ILE A 71 -2.730 -3.894 5.330 1.00 70.12 C ATOM 1151 CG2 ILE A 71 -2.405 -4.830 2.951 1.00 34.43 C ATOM 1152 CD1 ILE A 71 -2.039 -5.042 6.046 1.00 11.53 C ATOM 0 H ILE A 71 -5.370 -3.242 5.162 1.00 41.41 H new ATOM 0 HA ILE A 71 -3.557 -2.201 3.312 1.00 1.31 H new ATOM 0 HB ILE A 71 -4.134 -5.081 4.181 1.00 3.50 H new ATOM 0 HG12 ILE A 71 -1.995 -3.113 5.133 1.00 70.12 H new ATOM 0 HG13 ILE A 71 -3.478 -3.467 5.998 1.00 70.12 H new ATOM 0 HG21 ILE A 71 -1.869 -5.674 3.386 1.00 34.43 H new ATOM 0 HG22 ILE A 71 -2.933 -5.158 2.056 1.00 34.43 H new ATOM 0 HG23 ILE A 71 -1.695 -4.047 2.687 1.00 34.43 H new ATOM 0 HD11 ILE A 71 -1.588 -4.677 6.969 1.00 11.53 H new ATOM 0 HD12 ILE A 71 -2.769 -5.817 6.281 1.00 11.53 H new ATOM 0 HD13 ILE A 71 -1.263 -5.458 5.403 1.00 11.53 H new ATOM 1164 N LYS A 72 -5.970 -4.052 1.980 1.00 25.15 N ATOM 1165 CA LYS A 72 -6.602 -4.517 0.737 1.00 11.20 C ATOM 1166 C LYS A 72 -7.091 -3.317 -0.107 1.00 20.04 C ATOM 1167 O LYS A 72 -6.928 -3.319 -1.333 1.00 43.22 O ATOM 1168 CB LYS A 72 -7.771 -5.495 1.057 1.00 60.13 C ATOM 1169 CG LYS A 72 -8.364 -6.288 -0.146 1.00 42.12 C ATOM 1170 CD LYS A 72 -7.379 -7.327 -0.769 1.00 51.25 C ATOM 1171 CE LYS A 72 -6.443 -6.730 -1.831 1.00 3.22 C ATOM 1172 NZ LYS A 72 -5.428 -7.699 -2.300 1.00 4.31 N ATOM 0 H LYS A 72 -6.503 -4.277 2.820 1.00 25.15 H new ATOM 0 HA LYS A 72 -5.861 -5.058 0.149 1.00 11.20 H new ATOM 0 HB2 LYS A 72 -7.422 -6.213 1.799 1.00 60.13 H new ATOM 0 HB3 LYS A 72 -8.576 -4.924 1.519 1.00 60.13 H new ATOM 0 HG2 LYS A 72 -9.264 -6.808 0.183 1.00 42.12 H new ATOM 0 HG3 LYS A 72 -8.668 -5.582 -0.919 1.00 42.12 H new ATOM 0 HD2 LYS A 72 -6.778 -7.767 0.027 1.00 51.25 H new ATOM 0 HD3 LYS A 72 -7.955 -8.136 -1.218 1.00 51.25 H new ATOM 0 HE2 LYS A 72 -7.034 -6.388 -2.681 1.00 3.22 H new ATOM 0 HE3 LYS A 72 -5.942 -5.855 -1.418 1.00 3.22 H new ATOM 0 HZ1 LYS A 72 -5.214 -7.520 -3.302 1.00 4.31 H new ATOM 0 HZ2 LYS A 72 -4.560 -7.593 -1.736 1.00 4.31 H new ATOM 0 HZ3 LYS A 72 -5.795 -8.666 -2.192 1.00 4.31 H new ATOM 1186 N LEU A 73 -7.652 -2.286 0.570 1.00 65.15 N ATOM 1187 CA LEU A 73 -8.043 -1.005 -0.072 1.00 5.24 C ATOM 1188 C LEU A 73 -6.813 -0.349 -0.740 1.00 72.21 C ATOM 1189 O LEU A 73 -6.883 0.087 -1.896 1.00 4.01 O ATOM 1190 CB LEU A 73 -8.688 -0.018 0.964 1.00 25.51 C ATOM 1191 CG LEU A 73 -10.237 -0.121 1.193 1.00 1.44 C ATOM 1192 CD1 LEU A 73 -10.675 -1.516 1.669 1.00 15.34 C ATOM 1193 CD2 LEU A 73 -10.714 0.977 2.171 1.00 55.25 C ATOM 0 H LEU A 73 -7.846 -2.317 1.571 1.00 65.15 H new ATOM 0 HA LEU A 73 -8.791 -1.225 -0.834 1.00 5.24 H new ATOM 0 HB2 LEU A 73 -8.195 -0.169 1.924 1.00 25.51 H new ATOM 0 HB3 LEU A 73 -8.462 1.000 0.646 1.00 25.51 H new ATOM 0 HG LEU A 73 -10.715 0.038 0.226 1.00 1.44 H new ATOM 0 HD11 LEU A 73 -11.756 -1.529 1.811 1.00 15.34 H new ATOM 0 HD12 LEU A 73 -10.398 -2.259 0.921 1.00 15.34 H new ATOM 0 HD13 LEU A 73 -10.182 -1.750 2.613 1.00 15.34 H new ATOM 0 HD21 LEU A 73 -11.791 0.891 2.318 1.00 55.25 H new ATOM 0 HD22 LEU A 73 -10.206 0.857 3.128 1.00 55.25 H new ATOM 0 HD23 LEU A 73 -10.482 1.958 1.757 1.00 55.25 H new ATOM 1205 N ILE A 74 -5.692 -0.325 0.010 1.00 34.30 N ATOM 1206 CA ILE A 74 -4.400 0.212 -0.459 1.00 31.04 C ATOM 1207 C ILE A 74 -3.920 -0.548 -1.722 1.00 24.34 C ATOM 1208 O ILE A 74 -3.649 0.076 -2.743 1.00 41.00 O ATOM 1209 CB ILE A 74 -3.319 0.144 0.693 1.00 53.43 C ATOM 1210 CG1 ILE A 74 -3.765 1.035 1.904 1.00 64.15 C ATOM 1211 CG2 ILE A 74 -1.911 0.548 0.190 1.00 65.43 C ATOM 1212 CD1 ILE A 74 -2.861 0.971 3.124 1.00 44.41 C ATOM 0 H ILE A 74 -5.659 -0.681 0.965 1.00 34.30 H new ATOM 0 HA ILE A 74 -4.537 1.259 -0.729 1.00 31.04 H new ATOM 0 HB ILE A 74 -3.249 -0.891 1.027 1.00 53.43 H new ATOM 0 HG12 ILE A 74 -3.824 2.071 1.570 1.00 64.15 H new ATOM 0 HG13 ILE A 74 -4.771 0.738 2.201 1.00 64.15 H new ATOM 0 HG21 ILE A 74 -1.199 0.487 1.013 1.00 65.43 H new ATOM 0 HG22 ILE A 74 -1.602 -0.128 -0.608 1.00 65.43 H new ATOM 0 HG23 ILE A 74 -1.940 1.569 -0.190 1.00 65.43 H new ATOM 0 HD11 ILE A 74 -3.256 1.622 3.904 1.00 44.41 H new ATOM 0 HD12 ILE A 74 -2.820 -0.054 3.493 1.00 44.41 H new ATOM 0 HD13 ILE A 74 -1.858 1.299 2.851 1.00 44.41 H new ATOM 1224 N GLU A 75 -3.916 -1.901 -1.651 1.00 23.01 N ATOM 1225 CA GLU A 75 -3.400 -2.782 -2.727 1.00 22.51 C ATOM 1226 C GLU A 75 -4.144 -2.583 -4.065 1.00 23.34 C ATOM 1227 O GLU A 75 -3.507 -2.528 -5.130 1.00 15.22 O ATOM 1228 CB GLU A 75 -3.465 -4.272 -2.307 1.00 74.30 C ATOM 1229 CG GLU A 75 -2.487 -4.676 -1.187 1.00 35.42 C ATOM 1230 CD GLU A 75 -2.416 -6.201 -1.021 1.00 53.43 C ATOM 1231 OE1 GLU A 75 -3.283 -6.784 -0.321 1.00 3.31 O ATOM 1232 OE2 GLU A 75 -1.540 -6.839 -1.652 1.00 75.44 O ATOM 0 H GLU A 75 -4.271 -2.413 -0.844 1.00 23.01 H new ATOM 0 HA GLU A 75 -2.359 -2.497 -2.882 1.00 22.51 H new ATOM 0 HB2 GLU A 75 -4.480 -4.498 -1.981 1.00 74.30 H new ATOM 0 HB3 GLU A 75 -3.266 -4.890 -3.183 1.00 74.30 H new ATOM 0 HG2 GLU A 75 -1.494 -4.287 -1.413 1.00 35.42 H new ATOM 0 HG3 GLU A 75 -2.801 -4.221 -0.247 1.00 35.42 H new ATOM 1239 N GLU A 76 -5.482 -2.466 -4.000 1.00 2.21 N ATOM 1240 CA GLU A 76 -6.318 -2.278 -5.204 1.00 32.33 C ATOM 1241 C GLU A 76 -6.013 -0.935 -5.879 1.00 51.13 C ATOM 1242 O GLU A 76 -5.806 -0.874 -7.092 1.00 21.31 O ATOM 1243 CB GLU A 76 -7.828 -2.366 -4.858 1.00 50.34 C ATOM 1244 CG GLU A 76 -8.253 -3.701 -4.213 1.00 24.52 C ATOM 1245 CD GLU A 76 -7.915 -4.948 -5.048 1.00 1.52 C ATOM 1246 OE1 GLU A 76 -8.757 -5.374 -5.867 1.00 2.10 O ATOM 1247 OE2 GLU A 76 -6.822 -5.530 -4.869 1.00 62.33 O ATOM 0 H GLU A 76 -6.010 -2.498 -3.128 1.00 2.21 H new ATOM 0 HA GLU A 76 -6.076 -3.082 -5.899 1.00 32.33 H new ATOM 0 HB2 GLU A 76 -8.082 -1.551 -4.180 1.00 50.34 H new ATOM 0 HB3 GLU A 76 -8.407 -2.215 -5.769 1.00 50.34 H new ATOM 0 HG2 GLU A 76 -7.771 -3.789 -3.239 1.00 24.52 H new ATOM 0 HG3 GLU A 76 -9.328 -3.678 -4.036 1.00 24.52 H new ATOM 1254 N ARG A 77 -5.935 0.121 -5.059 1.00 70.52 N ATOM 1255 CA ARG A 77 -5.858 1.502 -5.537 1.00 34.04 C ATOM 1256 C ARG A 77 -4.442 1.881 -6.017 1.00 10.00 C ATOM 1257 O ARG A 77 -4.308 2.654 -6.980 1.00 63.14 O ATOM 1258 CB ARG A 77 -6.357 2.468 -4.431 1.00 54.42 C ATOM 1259 CG ARG A 77 -7.847 2.319 -4.024 1.00 64.12 C ATOM 1260 CD ARG A 77 -8.846 2.737 -5.131 1.00 44.34 C ATOM 1261 NE ARG A 77 -8.824 1.843 -6.313 1.00 41.23 N ATOM 1262 CZ ARG A 77 -9.718 0.866 -6.572 1.00 34.34 C ATOM 1263 NH1 ARG A 77 -10.732 0.628 -5.737 1.00 11.32 N ATOM 1264 NH2 ARG A 77 -9.600 0.135 -7.681 1.00 61.44 N ATOM 0 H ARG A 77 -5.924 0.038 -4.042 1.00 70.52 H new ATOM 0 HA ARG A 77 -6.508 1.592 -6.408 1.00 34.04 H new ATOM 0 HB2 ARG A 77 -5.741 2.322 -3.543 1.00 54.42 H new ATOM 0 HB3 ARG A 77 -6.193 3.491 -4.768 1.00 54.42 H new ATOM 0 HG2 ARG A 77 -8.036 1.281 -3.751 1.00 64.12 H new ATOM 0 HG3 ARG A 77 -8.032 2.922 -3.135 1.00 64.12 H new ATOM 0 HD2 ARG A 77 -9.853 2.751 -4.714 1.00 44.34 H new ATOM 0 HD3 ARG A 77 -8.619 3.754 -5.450 1.00 44.34 H new ATOM 0 HE ARG A 77 -8.070 1.978 -6.987 1.00 41.23 H new ATOM 0 HH11 ARG A 77 -10.838 1.188 -4.891 1.00 11.32 H new ATOM 0 HH12 ARG A 77 -11.401 -0.114 -5.945 1.00 11.32 H new ATOM 0 HH21 ARG A 77 -8.835 0.315 -8.331 1.00 61.44 H new ATOM 0 HH22 ARG A 77 -10.275 -0.604 -7.879 1.00 61.44 H new ATOM 1278 N ILE A 78 -3.391 1.335 -5.362 1.00 35.50 N ATOM 1279 CA ILE A 78 -1.992 1.621 -5.743 1.00 51.14 C ATOM 1280 C ILE A 78 -1.673 0.990 -7.115 1.00 31.14 C ATOM 1281 O ILE A 78 -1.124 1.660 -8.003 1.00 1.12 O ATOM 1282 CB ILE A 78 -0.925 1.154 -4.661 1.00 11.42 C ATOM 1283 CG1 ILE A 78 -0.940 -0.395 -4.441 1.00 21.33 C ATOM 1284 CG2 ILE A 78 -1.128 1.905 -3.319 1.00 32.43 C ATOM 1285 CD1 ILE A 78 0.128 -0.936 -3.498 1.00 64.40 C ATOM 0 H ILE A 78 -3.486 0.697 -4.572 1.00 35.50 H new ATOM 0 HA ILE A 78 -1.909 2.706 -5.803 1.00 51.14 H new ATOM 0 HB ILE A 78 0.058 1.411 -5.055 1.00 11.42 H new ATOM 0 HG12 ILE A 78 -1.919 -0.680 -4.054 1.00 21.33 H new ATOM 0 HG13 ILE A 78 -0.825 -0.883 -5.409 1.00 21.33 H new ATOM 0 HG21 ILE A 78 -0.385 1.567 -2.597 1.00 32.43 H new ATOM 0 HG22 ILE A 78 -1.015 2.977 -3.481 1.00 32.43 H new ATOM 0 HG23 ILE A 78 -2.127 1.700 -2.935 1.00 32.43 H new ATOM 0 HD11 ILE A 78 0.027 -2.018 -3.417 1.00 64.40 H new ATOM 0 HD12 ILE A 78 1.116 -0.692 -3.889 1.00 64.40 H new ATOM 0 HD13 ILE A 78 0.006 -0.486 -2.513 1.00 64.40 H new ATOM 1297 N GLU A 79 -2.077 -0.296 -7.294 1.00 5.13 N ATOM 1298 CA GLU A 79 -1.816 -1.045 -8.529 1.00 5.51 C ATOM 1299 C GLU A 79 -2.727 -0.548 -9.660 1.00 44.02 C ATOM 1300 O GLU A 79 -2.320 -0.549 -10.815 1.00 63.01 O ATOM 1301 CB GLU A 79 -1.956 -2.580 -8.326 1.00 73.02 C ATOM 1302 CG GLU A 79 -1.388 -3.392 -9.514 1.00 25.14 C ATOM 1303 CD GLU A 79 -1.627 -4.909 -9.444 1.00 2.34 C ATOM 1304 OE1 GLU A 79 -0.915 -5.605 -8.703 1.00 34.05 O ATOM 1305 OE2 GLU A 79 -2.512 -5.423 -10.163 1.00 25.21 O ATOM 0 H GLU A 79 -2.586 -0.828 -6.588 1.00 5.13 H new ATOM 0 HA GLU A 79 -0.780 -0.861 -8.812 1.00 5.51 H new ATOM 0 HB2 GLU A 79 -1.438 -2.870 -7.412 1.00 73.02 H new ATOM 0 HB3 GLU A 79 -3.008 -2.830 -8.190 1.00 73.02 H new ATOM 0 HG2 GLU A 79 -1.829 -3.013 -10.436 1.00 25.14 H new ATOM 0 HG3 GLU A 79 -0.315 -3.212 -9.576 1.00 25.14 H new ATOM 1312 N GLU A 80 -3.941 -0.077 -9.309 1.00 4.22 N ATOM 1313 CA GLU A 80 -4.896 0.493 -10.283 1.00 73.43 C ATOM 1314 C GLU A 80 -4.248 1.664 -11.063 1.00 11.00 C ATOM 1315 O GLU A 80 -4.350 1.748 -12.291 1.00 13.32 O ATOM 1316 CB GLU A 80 -6.173 0.976 -9.551 1.00 32.22 C ATOM 1317 CG GLU A 80 -7.340 1.399 -10.468 1.00 1.22 C ATOM 1318 CD GLU A 80 -7.923 0.233 -11.294 1.00 22.35 C ATOM 1319 OE1 GLU A 80 -8.786 -0.510 -10.771 1.00 61.22 O ATOM 1320 OE2 GLU A 80 -7.536 0.062 -12.478 1.00 5.21 O ATOM 0 H GLU A 80 -4.286 -0.080 -8.349 1.00 4.22 H new ATOM 0 HA GLU A 80 -5.169 -0.283 -10.998 1.00 73.43 H new ATOM 0 HB2 GLU A 80 -6.519 0.178 -8.895 1.00 32.22 H new ATOM 0 HB3 GLU A 80 -5.909 1.820 -8.914 1.00 32.22 H new ATOM 0 HG2 GLU A 80 -8.132 1.835 -9.859 1.00 1.22 H new ATOM 0 HG3 GLU A 80 -6.995 2.179 -11.147 1.00 1.22 H new ATOM 1327 N GLU A 81 -3.539 2.532 -10.321 1.00 45.53 N ATOM 1328 CA GLU A 81 -2.882 3.723 -10.883 1.00 72.21 C ATOM 1329 C GLU A 81 -1.476 3.405 -11.436 1.00 54.21 C ATOM 1330 O GLU A 81 -0.955 4.143 -12.277 1.00 12.50 O ATOM 1331 CB GLU A 81 -2.866 4.851 -9.831 1.00 42.11 C ATOM 1332 CG GLU A 81 -4.283 5.296 -9.398 1.00 24.24 C ATOM 1333 CD GLU A 81 -4.303 6.537 -8.504 1.00 34.20 C ATOM 1334 OE1 GLU A 81 -3.663 7.545 -8.871 1.00 10.31 O ATOM 1335 OE2 GLU A 81 -4.982 6.531 -7.447 1.00 72.31 O ATOM 0 H GLU A 81 -3.406 2.427 -9.315 1.00 45.53 H new ATOM 0 HA GLU A 81 -3.459 4.068 -11.741 1.00 72.21 H new ATOM 0 HB2 GLU A 81 -2.313 4.514 -8.954 1.00 42.11 H new ATOM 0 HB3 GLU A 81 -2.330 5.709 -10.235 1.00 42.11 H new ATOM 0 HG2 GLU A 81 -4.878 5.494 -10.290 1.00 24.24 H new ATOM 0 HG3 GLU A 81 -4.765 4.473 -8.870 1.00 24.24 H new ATOM 1342 N LEU A 82 -0.883 2.291 -10.976 1.00 50.51 N ATOM 1343 CA LEU A 82 0.364 1.742 -11.557 1.00 5.13 C ATOM 1344 C LEU A 82 0.119 1.228 -12.987 1.00 32.42 C ATOM 1345 O LEU A 82 0.910 1.494 -13.901 1.00 51.32 O ATOM 1346 CB LEU A 82 0.907 0.596 -10.660 1.00 13.41 C ATOM 1347 CG LEU A 82 1.728 1.045 -9.422 1.00 14.02 C ATOM 1348 CD1 LEU A 82 1.910 -0.120 -8.430 1.00 20.22 C ATOM 1349 CD2 LEU A 82 3.078 1.629 -9.879 1.00 11.32 C ATOM 0 H LEU A 82 -1.248 1.745 -10.196 1.00 50.51 H new ATOM 0 HA LEU A 82 1.105 2.540 -11.603 1.00 5.13 H new ATOM 0 HB2 LEU A 82 0.064 -0.003 -10.316 1.00 13.41 H new ATOM 0 HB3 LEU A 82 1.532 -0.055 -11.272 1.00 13.41 H new ATOM 0 HG LEU A 82 1.182 1.826 -8.893 1.00 14.02 H new ATOM 0 HD11 LEU A 82 2.489 0.220 -7.571 1.00 20.22 H new ATOM 0 HD12 LEU A 82 0.933 -0.468 -8.094 1.00 20.22 H new ATOM 0 HD13 LEU A 82 2.437 -0.938 -8.922 1.00 20.22 H new ATOM 0 HD21 LEU A 82 3.652 1.943 -9.007 1.00 11.32 H new ATOM 0 HD22 LEU A 82 3.636 0.870 -10.427 1.00 11.32 H new ATOM 0 HD23 LEU A 82 2.902 2.488 -10.527 1.00 11.32 H new ATOM 1361 N ARG A 83 -1.014 0.524 -13.164 1.00 21.10 N ATOM 1362 CA ARG A 83 -1.380 -0.121 -14.443 1.00 41.21 C ATOM 1363 C ARG A 83 -1.849 0.900 -15.490 1.00 3.34 C ATOM 1364 O ARG A 83 -2.019 0.545 -16.659 1.00 14.12 O ATOM 1365 CB ARG A 83 -2.424 -1.246 -14.218 1.00 44.10 C ATOM 1366 CG ARG A 83 -1.909 -2.379 -13.302 1.00 32.11 C ATOM 1367 CD ARG A 83 -2.932 -3.508 -13.091 1.00 31.51 C ATOM 1368 NE ARG A 83 -2.980 -4.429 -14.238 1.00 64.32 N ATOM 1369 CZ ARG A 83 -2.575 -5.711 -14.211 1.00 50.12 C ATOM 1370 NH1 ARG A 83 -2.085 -6.252 -13.095 1.00 33.20 N ATOM 1371 NH2 ARG A 83 -2.658 -6.447 -15.311 1.00 70.14 N ATOM 0 H ARG A 83 -1.703 0.385 -12.425 1.00 21.10 H new ATOM 0 HA ARG A 83 -0.480 -0.584 -14.847 1.00 41.21 H new ATOM 0 HB2 ARG A 83 -3.325 -0.815 -13.781 1.00 44.10 H new ATOM 0 HB3 ARG A 83 -2.708 -1.668 -15.182 1.00 44.10 H new ATOM 0 HG2 ARG A 83 -1.000 -2.799 -13.732 1.00 32.11 H new ATOM 0 HG3 ARG A 83 -1.639 -1.958 -12.333 1.00 32.11 H new ATOM 0 HD2 ARG A 83 -2.677 -4.065 -12.189 1.00 31.51 H new ATOM 0 HD3 ARG A 83 -3.920 -3.077 -12.931 1.00 31.51 H new ATOM 0 HE ARG A 83 -3.348 -4.068 -15.118 1.00 64.32 H new ATOM 0 HH11 ARG A 83 -2.013 -5.692 -12.246 1.00 33.20 H new ATOM 0 HH12 ARG A 83 -1.782 -7.226 -13.091 1.00 33.20 H new ATOM 0 HH21 ARG A 83 -3.027 -6.040 -16.170 1.00 70.14 H new ATOM 0 HH22 ARG A 83 -2.353 -7.420 -15.298 1.00 70.14 H new ATOM 1385 N LYS A 84 -2.060 2.160 -15.062 1.00 61.22 N ATOM 1386 CA LYS A 84 -2.278 3.295 -15.979 1.00 75.32 C ATOM 1387 C LYS A 84 -1.002 3.556 -16.821 1.00 74.15 C ATOM 1388 O LYS A 84 -1.083 3.825 -18.024 1.00 53.30 O ATOM 1389 CB LYS A 84 -2.656 4.576 -15.181 1.00 41.24 C ATOM 1390 CG LYS A 84 -4.009 4.509 -14.427 1.00 2.22 C ATOM 1391 CD LYS A 84 -4.320 5.811 -13.638 1.00 11.21 C ATOM 1392 CE LYS A 84 -4.436 7.053 -14.536 1.00 2.23 C ATOM 1393 NZ LYS A 84 -5.510 6.900 -15.555 1.00 44.32 N ATOM 0 H LYS A 84 -2.084 2.419 -14.076 1.00 61.22 H new ATOM 0 HA LYS A 84 -3.101 3.044 -16.648 1.00 75.32 H new ATOM 0 HB2 LYS A 84 -1.866 4.781 -14.459 1.00 41.24 H new ATOM 0 HB3 LYS A 84 -2.684 5.419 -15.871 1.00 41.24 H new ATOM 0 HG2 LYS A 84 -4.810 4.322 -15.142 1.00 2.22 H new ATOM 0 HG3 LYS A 84 -3.995 3.665 -13.737 1.00 2.22 H new ATOM 0 HD2 LYS A 84 -5.252 5.680 -13.088 1.00 11.21 H new ATOM 0 HD3 LYS A 84 -3.535 5.977 -12.900 1.00 11.21 H new ATOM 0 HE2 LYS A 84 -4.641 7.929 -13.920 1.00 2.23 H new ATOM 0 HE3 LYS A 84 -3.484 7.231 -15.036 1.00 2.23 H new ATOM 0 HZ1 LYS A 84 -5.626 7.794 -16.074 1.00 44.32 H new ATOM 0 HZ2 LYS A 84 -5.252 6.144 -16.221 1.00 44.32 H new ATOM 0 HZ3 LYS A 84 -6.404 6.655 -15.083 1.00 44.32 H new ATOM 1407 N ARG A 85 0.176 3.450 -16.167 1.00 63.34 N ATOM 1408 CA ARG A 85 1.490 3.703 -16.809 1.00 23.24 C ATOM 1409 C ARG A 85 2.111 2.401 -17.344 1.00 21.21 C ATOM 1410 O ARG A 85 2.716 2.387 -18.425 1.00 20.24 O ATOM 1411 CB ARG A 85 2.465 4.340 -15.769 1.00 54.42 C ATOM 1412 CG ARG A 85 3.931 4.500 -16.262 1.00 30.22 C ATOM 1413 CD ARG A 85 4.829 5.233 -15.251 1.00 22.11 C ATOM 1414 NE ARG A 85 4.396 6.628 -15.058 1.00 32.40 N ATOM 1415 CZ ARG A 85 5.108 7.722 -15.378 1.00 23.30 C ATOM 1416 NH1 ARG A 85 6.320 7.622 -15.926 1.00 5.20 N ATOM 1417 NH2 ARG A 85 4.592 8.923 -15.148 1.00 1.23 N ATOM 0 H ARG A 85 0.245 3.188 -15.184 1.00 63.34 H new ATOM 0 HA ARG A 85 1.331 4.382 -17.647 1.00 23.24 H new ATOM 0 HB2 ARG A 85 2.082 5.321 -15.487 1.00 54.42 H new ATOM 0 HB3 ARG A 85 2.464 3.726 -14.868 1.00 54.42 H new ATOM 0 HG2 ARG A 85 4.350 3.514 -16.464 1.00 30.22 H new ATOM 0 HG3 ARG A 85 3.934 5.047 -17.205 1.00 30.22 H new ATOM 0 HD2 ARG A 85 4.807 4.708 -14.296 1.00 22.11 H new ATOM 0 HD3 ARG A 85 5.861 5.216 -15.600 1.00 22.11 H new ATOM 0 HE ARG A 85 3.475 6.776 -14.645 1.00 32.40 H new ATOM 0 HH11 ARG A 85 6.722 6.703 -16.109 1.00 5.20 H new ATOM 0 HH12 ARG A 85 6.844 8.465 -16.162 1.00 5.20 H new ATOM 0 HH21 ARG A 85 3.664 9.008 -14.733 1.00 1.23 H new ATOM 0 HH22 ARG A 85 5.123 9.760 -15.387 1.00 1.23 H new ATOM 1431 N ASP A 86 1.889 1.305 -16.614 1.00 50.13 N ATOM 1432 CA ASP A 86 2.652 0.063 -16.785 1.00 34.32 C ATOM 1433 C ASP A 86 1.683 -1.123 -16.605 1.00 13.54 C ATOM 1434 O ASP A 86 1.311 -1.444 -15.476 1.00 63.42 O ATOM 1435 CB ASP A 86 3.816 0.019 -15.742 1.00 1.05 C ATOM 1436 CG ASP A 86 4.879 -1.065 -16.025 1.00 21.14 C ATOM 1437 OD1 ASP A 86 4.581 -2.264 -15.876 1.00 63.41 O ATOM 1438 OD2 ASP A 86 6.027 -0.719 -16.401 1.00 4.53 O ATOM 0 H ASP A 86 1.175 1.252 -15.887 1.00 50.13 H new ATOM 0 HA ASP A 86 3.098 0.009 -17.778 1.00 34.32 H new ATOM 0 HB2 ASP A 86 4.304 0.993 -15.718 1.00 1.05 H new ATOM 0 HB3 ASP A 86 3.395 -0.151 -14.751 1.00 1.05 H new ATOM 1443 N PRO A 87 1.265 -1.807 -17.710 1.00 15.12 N ATOM 1444 CA PRO A 87 0.233 -2.877 -17.656 1.00 53.31 C ATOM 1445 C PRO A 87 0.713 -4.156 -16.930 1.00 5.22 C ATOM 1446 O PRO A 87 -0.107 -5.016 -16.570 1.00 45.21 O ATOM 1447 CB PRO A 87 -0.070 -3.143 -19.152 1.00 50.35 C ATOM 1448 CG PRO A 87 1.201 -2.785 -19.863 1.00 42.31 C ATOM 1449 CD PRO A 87 1.775 -1.609 -19.100 1.00 14.30 C ATOM 0 HA PRO A 87 -0.642 -2.575 -17.080 1.00 53.31 H new ATOM 0 HB2 PRO A 87 -0.340 -4.185 -19.323 1.00 50.35 H new ATOM 0 HB3 PRO A 87 -0.905 -2.536 -19.502 1.00 50.35 H new ATOM 0 HG2 PRO A 87 1.896 -3.625 -19.871 1.00 42.31 H new ATOM 0 HG3 PRO A 87 1.008 -2.521 -20.903 1.00 42.31 H new ATOM 0 HD2 PRO A 87 2.865 -1.605 -19.130 1.00 14.30 H new ATOM 0 HD3 PRO A 87 1.441 -0.659 -19.518 1.00 14.30 H new ATOM 1457 N ASN A 88 2.035 -4.268 -16.705 1.00 24.33 N ATOM 1458 CA ASN A 88 2.647 -5.437 -16.047 1.00 1.33 C ATOM 1459 C ASN A 88 3.107 -5.095 -14.620 1.00 22.53 C ATOM 1460 O ASN A 88 3.711 -5.943 -13.950 1.00 12.21 O ATOM 1461 CB ASN A 88 3.827 -5.980 -16.904 1.00 1.33 C ATOM 1462 CG ASN A 88 3.369 -6.473 -18.284 1.00 20.31 C ATOM 1463 OD1 ASN A 88 3.027 -7.643 -18.468 1.00 5.30 O ATOM 1464 ND2 ASN A 88 3.327 -5.581 -19.262 1.00 52.12 N ATOM 0 H ASN A 88 2.709 -3.551 -16.974 1.00 24.33 H new ATOM 0 HA ASN A 88 1.893 -6.220 -15.966 1.00 1.33 H new ATOM 0 HB2 ASN A 88 4.572 -5.195 -17.031 1.00 1.33 H new ATOM 0 HB3 ASN A 88 4.313 -6.798 -16.372 1.00 1.33 H new ATOM 0 HD21 ASN A 88 3.007 -5.857 -20.190 1.00 52.12 H new ATOM 0 HD22 ASN A 88 3.615 -4.618 -19.087 1.00 52.12 H new ATOM 1471 N ALA A 89 2.813 -3.852 -14.155 1.00 13.20 N ATOM 1472 CA ALA A 89 3.069 -3.429 -12.773 1.00 52.13 C ATOM 1473 C ALA A 89 2.187 -4.234 -11.804 1.00 24.50 C ATOM 1474 O ALA A 89 1.034 -3.883 -11.546 1.00 71.54 O ATOM 1475 CB ALA A 89 2.858 -1.909 -12.607 1.00 41.32 C ATOM 0 H ALA A 89 2.393 -3.125 -14.734 1.00 13.20 H new ATOM 0 HA ALA A 89 4.112 -3.633 -12.533 1.00 52.13 H new ATOM 0 HB1 ALA A 89 3.055 -1.625 -11.573 1.00 41.32 H new ATOM 0 HB2 ALA A 89 3.540 -1.373 -13.267 1.00 41.32 H new ATOM 0 HB3 ALA A 89 1.830 -1.654 -12.864 1.00 41.32 H new ATOM 1481 N THR A 90 2.740 -5.364 -11.354 1.00 12.31 N ATOM 1482 CA THR A 90 2.081 -6.307 -10.456 1.00 74.34 C ATOM 1483 C THR A 90 2.777 -6.291 -9.087 1.00 61.10 C ATOM 1484 O THR A 90 4.009 -6.239 -8.998 1.00 73.35 O ATOM 1485 CB THR A 90 2.103 -7.735 -11.087 1.00 33.41 C ATOM 1486 OG1 THR A 90 1.451 -7.681 -12.374 1.00 71.42 O ATOM 1487 CG2 THR A 90 1.413 -8.791 -10.199 1.00 20.21 C ATOM 0 H THR A 90 3.683 -5.653 -11.613 1.00 12.31 H new ATOM 0 HA THR A 90 1.041 -6.015 -10.311 1.00 74.34 H new ATOM 0 HB THR A 90 3.145 -8.040 -11.188 1.00 33.41 H new ATOM 0 HG1 THR A 90 2.015 -7.188 -13.006 1.00 71.42 H new ATOM 0 HG21 THR A 90 1.459 -9.764 -10.688 1.00 20.21 H new ATOM 0 HG22 THR A 90 1.921 -8.845 -9.236 1.00 20.21 H new ATOM 0 HG23 THR A 90 0.371 -8.512 -10.044 1.00 20.21 H new ATOM 1495 N ILE A 91 1.970 -6.308 -8.029 1.00 3.52 N ATOM 1496 CA ILE A 91 2.451 -6.229 -6.647 1.00 42.10 C ATOM 1497 C ILE A 91 2.495 -7.647 -6.026 1.00 1.25 C ATOM 1498 O ILE A 91 1.581 -8.460 -6.232 1.00 35.34 O ATOM 1499 CB ILE A 91 1.554 -5.235 -5.817 1.00 55.33 C ATOM 1500 CG1 ILE A 91 0.116 -5.792 -5.571 1.00 51.24 C ATOM 1501 CG2 ILE A 91 1.500 -3.841 -6.514 1.00 52.22 C ATOM 1502 CD1 ILE A 91 -0.831 -4.810 -4.916 1.00 31.31 C ATOM 0 H ILE A 91 0.955 -6.377 -8.105 1.00 3.52 H new ATOM 0 HA ILE A 91 3.467 -5.833 -6.629 1.00 42.10 H new ATOM 0 HB ILE A 91 2.018 -5.122 -4.837 1.00 55.33 H new ATOM 0 HG12 ILE A 91 -0.307 -6.105 -6.525 1.00 51.24 H new ATOM 0 HG13 ILE A 91 0.186 -6.682 -4.946 1.00 51.24 H new ATOM 0 HG21 ILE A 91 0.876 -3.165 -5.928 1.00 52.22 H new ATOM 0 HG22 ILE A 91 2.508 -3.432 -6.588 1.00 52.22 H new ATOM 0 HG23 ILE A 91 1.078 -3.950 -7.513 1.00 52.22 H new ATOM 0 HD11 ILE A 91 -1.806 -5.279 -4.782 1.00 31.31 H new ATOM 0 HD12 ILE A 91 -0.434 -4.515 -3.945 1.00 31.31 H new ATOM 0 HD13 ILE A 91 -0.936 -3.928 -5.548 1.00 31.31 H new ATOM 1514 N THR A 92 3.590 -7.954 -5.311 1.00 60.43 N ATOM 1515 CA THR A 92 3.854 -9.307 -4.775 1.00 5.13 C ATOM 1516 C THR A 92 3.562 -9.345 -3.262 1.00 21.31 C ATOM 1517 O THR A 92 4.320 -8.792 -2.466 1.00 22.52 O ATOM 1518 CB THR A 92 5.338 -9.718 -5.062 1.00 3.12 C ATOM 1519 OG1 THR A 92 5.611 -9.572 -6.469 1.00 73.20 O ATOM 1520 CG2 THR A 92 5.651 -11.160 -4.636 1.00 14.32 C ATOM 0 H THR A 92 4.318 -7.276 -5.087 1.00 60.43 H new ATOM 0 HA THR A 92 3.195 -10.020 -5.270 1.00 5.13 H new ATOM 0 HB THR A 92 5.973 -9.059 -4.470 1.00 3.12 H new ATOM 0 HG1 THR A 92 5.800 -8.632 -6.670 1.00 73.20 H new ATOM 0 HG21 THR A 92 6.693 -11.387 -4.860 1.00 14.32 H new ATOM 0 HG22 THR A 92 5.477 -11.269 -3.565 1.00 14.32 H new ATOM 0 HG23 THR A 92 5.005 -11.849 -5.180 1.00 14.32 H new ATOM 1528 N ARG A 93 2.461 -10.004 -2.886 1.00 21.44 N ATOM 1529 CA ARG A 93 1.947 -10.022 -1.503 1.00 33.25 C ATOM 1530 C ARG A 93 2.661 -11.093 -0.649 1.00 13.30 C ATOM 1531 O ARG A 93 2.567 -12.296 -0.925 1.00 3.25 O ATOM 1532 CB ARG A 93 0.427 -10.281 -1.547 1.00 30.33 C ATOM 1533 CG ARG A 93 -0.301 -10.275 -0.181 1.00 60.21 C ATOM 1534 CD ARG A 93 -1.803 -10.572 -0.353 1.00 44.32 C ATOM 1535 NE ARG A 93 -2.396 -9.621 -1.306 1.00 23.21 N ATOM 1536 CZ ARG A 93 -2.893 -9.920 -2.514 1.00 62.21 C ATOM 1537 NH1 ARG A 93 -2.920 -11.174 -2.967 1.00 60.31 N ATOM 1538 NH2 ARG A 93 -3.236 -8.928 -3.319 1.00 11.33 N ATOM 0 H ARG A 93 1.892 -10.547 -3.536 1.00 21.44 H new ATOM 0 HA ARG A 93 2.145 -9.058 -1.034 1.00 33.25 H new ATOM 0 HB2 ARG A 93 -0.032 -9.525 -2.185 1.00 30.33 H new ATOM 0 HB3 ARG A 93 0.256 -11.246 -2.023 1.00 30.33 H new ATOM 0 HG2 ARG A 93 0.147 -11.019 0.477 1.00 60.21 H new ATOM 0 HG3 ARG A 93 -0.171 -9.305 0.300 1.00 60.21 H new ATOM 0 HD2 ARG A 93 -1.942 -11.592 -0.710 1.00 44.32 H new ATOM 0 HD3 ARG A 93 -2.309 -10.499 0.609 1.00 44.32 H new ATOM 0 HE ARG A 93 -2.432 -8.642 -1.021 1.00 23.21 H new ATOM 0 HH11 ARG A 93 -2.557 -11.933 -2.390 1.00 60.31 H new ATOM 0 HH12 ARG A 93 -3.304 -11.374 -3.890 1.00 60.31 H new ATOM 0 HH21 ARG A 93 -3.120 -7.961 -3.015 1.00 11.33 H new ATOM 0 HH22 ARG A 93 -3.617 -9.130 -4.244 1.00 11.33 H new ATOM 1552 N THR A 94 3.411 -10.624 0.353 1.00 71.23 N ATOM 1553 CA THR A 94 4.036 -11.453 1.389 1.00 75.31 C ATOM 1554 C THR A 94 3.684 -10.844 2.757 1.00 11.21 C ATOM 1555 O THR A 94 4.215 -9.781 3.109 1.00 64.11 O ATOM 1556 CB THR A 94 5.597 -11.482 1.200 1.00 44.41 C ATOM 1557 OG1 THR A 94 5.933 -11.930 -0.128 1.00 23.22 O ATOM 1558 CG2 THR A 94 6.296 -12.377 2.238 1.00 34.21 C ATOM 0 H THR A 94 3.606 -9.630 0.469 1.00 71.23 H new ATOM 0 HA THR A 94 3.669 -12.477 1.321 1.00 75.31 H new ATOM 0 HB THR A 94 5.953 -10.462 1.348 1.00 44.41 H new ATOM 0 HG1 THR A 94 6.907 -11.942 -0.233 1.00 23.22 H new ATOM 0 HG21 THR A 94 7.372 -12.363 2.065 1.00 34.21 H new ATOM 0 HG22 THR A 94 6.085 -12.005 3.240 1.00 34.21 H new ATOM 0 HG23 THR A 94 5.927 -13.398 2.145 1.00 34.21 H new ATOM 1566 N VAL A 95 2.774 -11.482 3.528 1.00 31.22 N ATOM 1567 CA VAL A 95 2.393 -10.955 4.848 1.00 20.53 C ATOM 1568 C VAL A 95 3.555 -11.229 5.829 1.00 13.00 C ATOM 1569 O VAL A 95 3.891 -12.382 6.130 1.00 61.42 O ATOM 1570 CB VAL A 95 1.002 -11.501 5.368 1.00 31.11 C ATOM 1571 CG1 VAL A 95 0.991 -13.029 5.605 1.00 54.23 C ATOM 1572 CG2 VAL A 95 0.545 -10.717 6.628 1.00 62.52 C ATOM 0 H VAL A 95 2.301 -12.345 3.262 1.00 31.22 H new ATOM 0 HA VAL A 95 2.232 -9.880 4.767 1.00 20.53 H new ATOM 0 HB VAL A 95 0.278 -11.328 4.571 1.00 31.11 H new ATOM 0 HG11 VAL A 95 0.007 -13.335 5.961 1.00 54.23 H new ATOM 0 HG12 VAL A 95 1.215 -13.544 4.671 1.00 54.23 H new ATOM 0 HG13 VAL A 95 1.743 -13.287 6.351 1.00 54.23 H new ATOM 0 HG21 VAL A 95 -0.413 -11.107 6.971 1.00 62.52 H new ATOM 0 HG22 VAL A 95 1.287 -10.833 7.418 1.00 62.52 H new ATOM 0 HG23 VAL A 95 0.440 -9.661 6.381 1.00 62.52 H new ATOM 1582 N ARG A 96 4.216 -10.139 6.255 1.00 32.11 N ATOM 1583 CA ARG A 96 5.484 -10.206 7.006 1.00 21.15 C ATOM 1584 C ARG A 96 5.229 -10.663 8.464 1.00 11.22 C ATOM 1585 O ARG A 96 6.075 -11.320 9.085 1.00 62.52 O ATOM 1586 CB ARG A 96 6.203 -8.824 6.963 1.00 41.11 C ATOM 1587 CG ARG A 96 7.689 -8.882 7.374 1.00 73.33 C ATOM 1588 CD ARG A 96 8.568 -9.635 6.351 1.00 22.14 C ATOM 1589 NE ARG A 96 9.919 -9.898 6.880 1.00 21.55 N ATOM 1590 CZ ARG A 96 11.033 -10.060 6.144 1.00 11.11 C ATOM 1591 NH1 ARG A 96 11.008 -9.977 4.815 1.00 25.00 N ATOM 1592 NH2 ARG A 96 12.182 -10.323 6.755 1.00 42.13 N ATOM 0 H ARG A 96 3.888 -9.188 6.089 1.00 32.11 H new ATOM 0 HA ARG A 96 6.136 -10.944 6.538 1.00 21.15 H new ATOM 0 HB2 ARG A 96 6.130 -8.418 5.954 1.00 41.11 H new ATOM 0 HB3 ARG A 96 5.680 -8.132 7.623 1.00 41.11 H new ATOM 0 HG2 ARG A 96 8.068 -7.867 7.493 1.00 73.33 H new ATOM 0 HG3 ARG A 96 7.773 -9.369 8.345 1.00 73.33 H new ATOM 0 HD2 ARG A 96 8.091 -10.579 6.087 1.00 22.14 H new ATOM 0 HD3 ARG A 96 8.644 -9.049 5.435 1.00 22.14 H new ATOM 0 HE ARG A 96 10.017 -9.963 7.893 1.00 21.55 H new ATOM 0 HH11 ARG A 96 10.130 -9.787 4.332 1.00 25.00 H new ATOM 0 HH12 ARG A 96 11.867 -10.104 4.280 1.00 25.00 H new ATOM 0 HH21 ARG A 96 12.213 -10.400 7.772 1.00 42.13 H new ATOM 0 HH22 ARG A 96 13.034 -10.448 6.208 1.00 42.13 H new ATOM 1606 N THR A 97 4.058 -10.278 8.997 1.00 54.04 N ATOM 1607 CA THR A 97 3.560 -10.748 10.295 1.00 24.31 C ATOM 1608 C THR A 97 2.937 -12.160 10.154 1.00 31.35 C ATOM 1609 O THR A 97 2.195 -12.429 9.205 1.00 11.02 O ATOM 1610 CB THR A 97 2.506 -9.728 10.861 1.00 74.00 C ATOM 1611 OG1 THR A 97 3.142 -8.458 11.092 1.00 54.13 O ATOM 1612 CG2 THR A 97 1.840 -10.204 12.163 1.00 3.23 C ATOM 0 H THR A 97 3.426 -9.626 8.533 1.00 54.04 H new ATOM 0 HA THR A 97 4.393 -10.814 10.995 1.00 24.31 H new ATOM 0 HB THR A 97 1.719 -9.640 10.112 1.00 74.00 H new ATOM 0 HG1 THR A 97 2.806 -8.071 11.927 1.00 54.13 H new ATOM 0 HG21 THR A 97 1.124 -9.455 12.500 1.00 3.23 H new ATOM 0 HG22 THR A 97 1.322 -11.146 11.983 1.00 3.23 H new ATOM 0 HG23 THR A 97 2.601 -10.349 12.929 1.00 3.23 H new ATOM 1620 N GLU A 98 3.277 -13.050 11.096 1.00 3.14 N ATOM 1621 CA GLU A 98 2.714 -14.415 11.208 1.00 33.23 C ATOM 1622 C GLU A 98 1.871 -14.500 12.506 1.00 31.22 C ATOM 1623 O GLU A 98 1.958 -13.598 13.354 1.00 55.21 O ATOM 1624 CB GLU A 98 3.896 -15.430 11.219 1.00 33.15 C ATOM 1625 CG GLU A 98 3.497 -16.922 11.320 1.00 54.33 C ATOM 1626 CD GLU A 98 4.702 -17.879 11.324 1.00 74.52 C ATOM 1627 OE1 GLU A 98 5.461 -17.888 12.317 1.00 25.40 O ATOM 1628 OE2 GLU A 98 4.895 -18.622 10.337 1.00 11.41 O ATOM 0 H GLU A 98 3.965 -12.843 11.820 1.00 3.14 H new ATOM 0 HA GLU A 98 2.063 -14.651 10.366 1.00 33.23 H new ATOM 0 HB2 GLU A 98 4.480 -15.290 10.309 1.00 33.15 H new ATOM 0 HB3 GLU A 98 4.549 -15.190 12.058 1.00 33.15 H new ATOM 0 HG2 GLU A 98 2.918 -17.075 12.231 1.00 54.33 H new ATOM 0 HG3 GLU A 98 2.846 -17.174 10.483 1.00 54.33 H new ATOM 1635 N VAL A 99 1.048 -15.571 12.656 1.00 3.43 N ATOM 1636 CA VAL A 99 0.308 -15.854 13.908 1.00 2.21 C ATOM 1637 C VAL A 99 1.282 -15.926 15.110 1.00 32.22 C ATOM 1638 O VAL A 99 0.975 -15.406 16.188 1.00 64.34 O ATOM 1639 CB VAL A 99 -0.559 -17.174 13.785 1.00 64.13 C ATOM 1640 CG1 VAL A 99 0.309 -18.426 13.494 1.00 73.25 C ATOM 1641 CG2 VAL A 99 -1.459 -17.383 15.032 1.00 2.41 C ATOM 0 H VAL A 99 0.882 -16.255 11.918 1.00 3.43 H new ATOM 0 HA VAL A 99 -0.386 -15.032 14.083 1.00 2.21 H new ATOM 0 HB VAL A 99 -1.213 -17.039 12.924 1.00 64.13 H new ATOM 0 HG11 VAL A 99 -0.333 -19.304 13.419 1.00 73.25 H new ATOM 0 HG12 VAL A 99 0.845 -18.287 12.555 1.00 73.25 H new ATOM 0 HG13 VAL A 99 1.025 -18.568 14.303 1.00 73.25 H new ATOM 0 HG21 VAL A 99 -2.039 -18.298 14.913 1.00 2.41 H new ATOM 0 HG22 VAL A 99 -0.835 -17.463 15.922 1.00 2.41 H new ATOM 0 HG23 VAL A 99 -2.136 -16.535 15.138 1.00 2.41 H new ATOM 1651 N GLY A 100 2.472 -16.537 14.871 1.00 15.53 N ATOM 1652 CA GLY A 100 3.597 -16.525 15.808 1.00 4.10 C ATOM 1653 C GLY A 100 3.218 -16.951 17.227 1.00 42.52 C ATOM 1654 O GLY A 100 2.958 -18.133 17.474 1.00 13.35 O ATOM 0 H GLY A 100 2.666 -17.052 14.012 1.00 15.53 H new ATOM 0 HA2 GLY A 100 4.377 -17.189 15.435 1.00 4.10 H new ATOM 0 HA3 GLY A 100 4.021 -15.521 15.840 1.00 4.10 H new ATOM 1658 N SER A 101 3.176 -15.963 18.141 1.00 64.42 N ATOM 1659 CA SER A 101 2.711 -16.140 19.524 1.00 34.23 C ATOM 1660 C SER A 101 1.332 -15.477 19.674 1.00 34.23 C ATOM 1661 O SER A 101 1.223 -14.245 19.623 1.00 43.42 O ATOM 1662 CB SER A 101 3.731 -15.509 20.508 1.00 22.11 C ATOM 1663 OG SER A 101 5.026 -16.070 20.336 1.00 50.22 O ATOM 0 H SER A 101 3.469 -15.008 17.934 1.00 64.42 H new ATOM 0 HA SER A 101 2.626 -17.202 19.756 1.00 34.23 H new ATOM 0 HB2 SER A 101 3.775 -14.431 20.349 1.00 22.11 H new ATOM 0 HB3 SER A 101 3.397 -15.667 21.533 1.00 22.11 H new ATOM 0 HG SER A 101 5.649 -15.653 20.967 1.00 50.22 H new ATOM 1669 N SER A 102 0.286 -16.303 19.821 1.00 42.10 N ATOM 1670 CA SER A 102 -1.096 -15.835 20.007 1.00 0.34 C ATOM 1671 C SER A 102 -1.890 -16.871 20.830 1.00 15.30 C ATOM 1672 O SER A 102 -2.510 -17.785 20.275 1.00 42.14 O ATOM 1673 CB SER A 102 -1.793 -15.540 18.639 1.00 22.34 C ATOM 1674 OG SER A 102 -1.183 -14.446 17.963 1.00 23.23 O ATOM 0 H SER A 102 0.375 -17.319 19.814 1.00 42.10 H new ATOM 0 HA SER A 102 -1.072 -14.894 20.557 1.00 0.34 H new ATOM 0 HB2 SER A 102 -1.748 -16.428 18.009 1.00 22.34 H new ATOM 0 HB3 SER A 102 -2.848 -15.322 18.807 1.00 22.34 H new ATOM 0 HG SER A 102 -0.480 -14.780 17.368 1.00 23.23 H new ATOM 1680 N TRP A 103 -1.791 -16.760 22.169 1.00 43.34 N ATOM 1681 CA TRP A 103 -2.637 -17.530 23.100 1.00 53.51 C ATOM 1682 C TRP A 103 -3.916 -16.721 23.362 1.00 31.43 C ATOM 1683 O TRP A 103 -3.857 -15.614 23.909 1.00 52.21 O ATOM 1684 CB TRP A 103 -1.873 -17.821 24.423 1.00 4.32 C ATOM 1685 CG TRP A 103 -2.655 -18.556 25.505 1.00 64.32 C ATOM 1686 CD1 TRP A 103 -3.647 -19.488 25.343 1.00 42.15 C ATOM 1687 CD2 TRP A 103 -2.457 -18.439 26.926 1.00 60.54 C ATOM 1688 NE1 TRP A 103 -4.082 -19.935 26.568 1.00 32.44 N ATOM 1689 CE2 TRP A 103 -3.366 -19.310 27.554 1.00 13.23 C ATOM 1690 CE3 TRP A 103 -1.604 -17.673 27.727 1.00 53.51 C ATOM 1691 CZ2 TRP A 103 -3.437 -19.445 28.938 1.00 35.22 C ATOM 1692 CZ3 TRP A 103 -1.676 -17.804 29.101 1.00 62.33 C ATOM 1693 CH2 TRP A 103 -2.587 -18.682 29.695 1.00 33.21 C ATOM 0 H TRP A 103 -1.128 -16.139 22.632 1.00 43.34 H new ATOM 0 HA TRP A 103 -2.897 -18.494 22.663 1.00 53.51 H new ATOM 0 HB2 TRP A 103 -0.986 -18.407 24.184 1.00 4.32 H new ATOM 0 HB3 TRP A 103 -1.528 -16.873 24.835 1.00 4.32 H new ATOM 0 HD1 TRP A 103 -4.031 -19.823 24.391 1.00 42.15 H new ATOM 0 HE1 TRP A 103 -4.820 -20.623 26.719 1.00 32.44 H new ATOM 0 HE3 TRP A 103 -0.899 -16.989 27.278 1.00 53.51 H new ATOM 0 HZ2 TRP A 103 -4.137 -20.127 29.398 1.00 35.22 H new ATOM 0 HZ3 TRP A 103 -1.018 -17.219 29.726 1.00 62.33 H new ATOM 0 HH2 TRP A 103 -2.622 -18.761 30.772 1.00 33.21 H new ATOM 1704 N SER A 104 -5.053 -17.273 22.931 1.00 43.42 N ATOM 1705 CA SER A 104 -6.363 -16.643 23.071 1.00 14.22 C ATOM 1706 C SER A 104 -7.027 -17.112 24.376 1.00 10.21 C ATOM 1707 O SER A 104 -7.311 -18.306 24.544 1.00 12.43 O ATOM 1708 CB SER A 104 -7.229 -17.004 21.847 1.00 21.23 C ATOM 1709 OG SER A 104 -8.462 -16.318 21.867 1.00 55.21 O ATOM 0 H SER A 104 -5.087 -18.182 22.469 1.00 43.42 H new ATOM 0 HA SER A 104 -6.255 -15.559 23.116 1.00 14.22 H new ATOM 0 HB2 SER A 104 -6.689 -16.758 20.933 1.00 21.23 H new ATOM 0 HB3 SER A 104 -7.409 -18.079 21.832 1.00 21.23 H new ATOM 0 HG SER A 104 -8.987 -16.566 21.078 1.00 55.21 H new ATOM 1715 N LEU A 105 -7.222 -16.172 25.315 1.00 70.45 N ATOM 1716 CA LEU A 105 -7.903 -16.445 26.586 1.00 13.32 C ATOM 1717 C LEU A 105 -9.379 -16.033 26.474 1.00 4.31 C ATOM 1718 O LEU A 105 -9.689 -14.851 26.301 1.00 74.11 O ATOM 1719 CB LEU A 105 -7.210 -15.715 27.773 1.00 24.21 C ATOM 1720 CG LEU A 105 -5.716 -16.118 28.041 1.00 43.13 C ATOM 1721 CD1 LEU A 105 -4.743 -15.406 27.074 1.00 3.44 C ATOM 1722 CD2 LEU A 105 -5.329 -15.879 29.517 1.00 71.55 C ATOM 0 H LEU A 105 -6.912 -15.206 25.213 1.00 70.45 H new ATOM 0 HA LEU A 105 -7.844 -17.514 26.790 1.00 13.32 H new ATOM 0 HB2 LEU A 105 -7.250 -14.641 27.589 1.00 24.21 H new ATOM 0 HB3 LEU A 105 -7.786 -15.905 28.679 1.00 24.21 H new ATOM 0 HG LEU A 105 -5.629 -17.187 27.846 1.00 43.13 H new ATOM 0 HD11 LEU A 105 -3.721 -15.713 27.295 1.00 3.44 H new ATOM 0 HD12 LEU A 105 -4.989 -15.675 26.047 1.00 3.44 H new ATOM 0 HD13 LEU A 105 -4.832 -14.327 27.198 1.00 3.44 H new ATOM 0 HD21 LEU A 105 -4.289 -16.167 29.672 1.00 71.55 H new ATOM 0 HD22 LEU A 105 -5.453 -14.824 29.759 1.00 71.55 H new ATOM 0 HD23 LEU A 105 -5.971 -16.477 30.163 1.00 71.55 H new ATOM 1734 N GLU A 106 -10.273 -17.028 26.562 1.00 23.03 N ATOM 1735 CA GLU A 106 -11.731 -16.835 26.457 1.00 53.31 C ATOM 1736 C GLU A 106 -12.394 -17.620 27.608 1.00 13.33 C ATOM 1737 O GLU A 106 -12.569 -18.844 27.514 1.00 24.30 O ATOM 1738 CB GLU A 106 -12.228 -17.315 25.048 1.00 61.35 C ATOM 1739 CG GLU A 106 -13.542 -16.674 24.519 1.00 62.04 C ATOM 1740 CD GLU A 106 -14.773 -16.889 25.417 1.00 41.24 C ATOM 1741 OE1 GLU A 106 -15.354 -17.993 25.400 1.00 75.42 O ATOM 1742 OE2 GLU A 106 -15.161 -15.958 26.147 1.00 32.53 O ATOM 0 H GLU A 106 -10.004 -18.001 26.710 1.00 23.03 H new ATOM 0 HA GLU A 106 -12.001 -15.783 26.547 1.00 53.31 H new ATOM 0 HB2 GLU A 106 -11.438 -17.120 24.323 1.00 61.35 H new ATOM 0 HB3 GLU A 106 -12.367 -18.395 25.085 1.00 61.35 H new ATOM 0 HG2 GLU A 106 -13.383 -15.603 24.395 1.00 62.04 H new ATOM 0 HG3 GLU A 106 -13.756 -17.081 23.531 1.00 62.04 H new ATOM 1749 N HIS A 107 -12.712 -16.918 28.714 1.00 24.14 N ATOM 1750 CA HIS A 107 -13.316 -17.547 29.898 1.00 34.04 C ATOM 1751 C HIS A 107 -14.330 -16.602 30.560 1.00 60.41 C ATOM 1752 O HIS A 107 -13.979 -15.489 30.966 1.00 31.13 O ATOM 1753 CB HIS A 107 -12.219 -17.976 30.913 1.00 63.01 C ATOM 1754 CG HIS A 107 -12.738 -18.855 32.029 1.00 22.22 C ATOM 1755 ND1 HIS A 107 -12.653 -20.233 32.000 1.00 41.33 N ATOM 1756 CD2 HIS A 107 -13.365 -18.554 33.195 1.00 44.11 C ATOM 1757 CE1 HIS A 107 -13.202 -20.731 33.085 1.00 42.00 C ATOM 1758 NE2 HIS A 107 -13.640 -19.739 33.826 1.00 41.51 N ATOM 0 H HIS A 107 -12.559 -15.914 28.809 1.00 24.14 H new ATOM 0 HA HIS A 107 -13.848 -18.441 29.573 1.00 34.04 H new ATOM 0 HB2 HIS A 107 -11.430 -18.507 30.380 1.00 63.01 H new ATOM 0 HB3 HIS A 107 -11.766 -17.084 31.345 1.00 63.01 H new ATOM 0 HD2 HIS A 107 -13.603 -17.565 33.558 1.00 44.11 H new ATOM 0 HE1 HIS A 107 -13.280 -21.781 33.327 1.00 42.00 H new ATOM 0 HE2 HIS A 107 -14.109 -19.835 34.726 1.00 41.51 H new ATOM 1767 N HIS A 108 -15.584 -17.073 30.650 1.00 33.02 N ATOM 1768 CA HIS A 108 -16.663 -16.391 31.378 1.00 40.33 C ATOM 1769 C HIS A 108 -17.756 -17.413 31.749 1.00 45.42 C ATOM 1770 O HIS A 108 -18.378 -18.015 30.865 1.00 2.30 O ATOM 1771 CB HIS A 108 -17.255 -15.196 30.561 1.00 41.43 C ATOM 1772 CG HIS A 108 -17.827 -15.513 29.189 1.00 42.11 C ATOM 1773 ND1 HIS A 108 -18.847 -14.777 28.614 1.00 14.13 N ATOM 1774 CD2 HIS A 108 -17.492 -16.453 28.262 1.00 43.22 C ATOM 1775 CE1 HIS A 108 -19.107 -15.251 27.416 1.00 40.12 C ATOM 1776 NE2 HIS A 108 -18.302 -16.262 27.176 1.00 0.33 N ATOM 0 H HIS A 108 -15.879 -17.947 30.215 1.00 33.02 H new ATOM 0 HA HIS A 108 -16.248 -15.965 32.291 1.00 40.33 H new ATOM 0 HB2 HIS A 108 -18.042 -14.735 31.158 1.00 41.43 H new ATOM 0 HB3 HIS A 108 -16.471 -14.449 30.437 1.00 41.43 H new ATOM 0 HD2 HIS A 108 -16.728 -17.209 28.365 1.00 43.22 H new ATOM 0 HE1 HIS A 108 -19.859 -14.872 26.740 1.00 40.12 H new ATOM 0 HE2 HIS A 108 -18.284 -16.815 26.319 1.00 0.33 H new ATOM 1785 N HIS A 109 -17.933 -17.665 33.054 1.00 23.44 N ATOM 1786 CA HIS A 109 -19.036 -18.491 33.554 1.00 41.23 C ATOM 1787 C HIS A 109 -20.186 -17.570 33.980 1.00 42.21 C ATOM 1788 O HIS A 109 -20.098 -16.897 35.016 1.00 34.51 O ATOM 1789 CB HIS A 109 -18.571 -19.388 34.734 1.00 71.41 C ATOM 1790 CG HIS A 109 -19.692 -20.156 35.408 1.00 42.11 C ATOM 1791 ND1 HIS A 109 -19.988 -20.033 36.754 1.00 1.45 N ATOM 1792 CD2 HIS A 109 -20.601 -21.036 34.912 1.00 41.55 C ATOM 1793 CE1 HIS A 109 -21.015 -20.805 37.049 1.00 10.42 C ATOM 1794 NE2 HIS A 109 -21.410 -21.417 35.954 1.00 34.42 N ATOM 0 H HIS A 109 -17.320 -17.304 33.785 1.00 23.44 H new ATOM 0 HA HIS A 109 -19.379 -19.158 32.763 1.00 41.23 H new ATOM 0 HB2 HIS A 109 -17.829 -20.097 34.367 1.00 71.41 H new ATOM 0 HB3 HIS A 109 -18.075 -18.764 35.477 1.00 71.41 H new ATOM 0 HD2 HIS A 109 -20.674 -21.373 33.889 1.00 41.55 H new ATOM 0 HE1 HIS A 109 -21.458 -20.916 38.027 1.00 10.42 H new ATOM 0 HE2 HIS A 109 -22.191 -22.069 35.889 1.00 34.42 H new ATOM 1803 N HIS A 110 -21.245 -17.516 33.147 1.00 21.24 N ATOM 1804 CA HIS A 110 -22.474 -16.786 33.479 1.00 72.53 C ATOM 1805 C HIS A 110 -23.214 -17.540 34.595 1.00 71.42 C ATOM 1806 O HIS A 110 -23.282 -18.775 34.582 1.00 42.04 O ATOM 1807 CB HIS A 110 -23.392 -16.607 32.239 1.00 43.45 C ATOM 1808 CG HIS A 110 -24.622 -15.768 32.525 1.00 22.12 C ATOM 1809 ND1 HIS A 110 -25.761 -16.276 33.120 1.00 73.31 N ATOM 1810 CD2 HIS A 110 -24.858 -14.443 32.357 1.00 75.42 C ATOM 1811 CE1 HIS A 110 -26.634 -15.306 33.300 1.00 75.13 C ATOM 1812 NE2 HIS A 110 -26.111 -14.187 32.849 1.00 41.02 N ATOM 0 H HIS A 110 -21.268 -17.974 32.236 1.00 21.24 H new ATOM 0 HA HIS A 110 -22.205 -15.787 33.821 1.00 72.53 H new ATOM 0 HB2 HIS A 110 -22.821 -16.141 31.436 1.00 43.45 H new ATOM 0 HB3 HIS A 110 -23.704 -17.588 31.881 1.00 43.45 H new ATOM 0 HD2 HIS A 110 -24.184 -13.723 31.917 1.00 75.42 H new ATOM 0 HE1 HIS A 110 -27.613 -15.412 33.743 1.00 75.13 H new ATOM 0 HE2 HIS A 110 -26.566 -13.274 32.863 1.00 41.02 H new ATOM 1821 N HIS A 111 -23.757 -16.782 35.547 1.00 51.10 N ATOM 1822 CA HIS A 111 -24.415 -17.333 36.730 1.00 64.41 C ATOM 1823 C HIS A 111 -25.476 -16.356 37.242 1.00 63.40 C ATOM 1824 O HIS A 111 -25.652 -15.262 36.687 1.00 1.40 O ATOM 1825 CB HIS A 111 -23.366 -17.623 37.839 1.00 14.54 C ATOM 1826 CG HIS A 111 -22.730 -16.387 38.437 1.00 43.11 C ATOM 1827 ND1 HIS A 111 -23.110 -15.858 39.654 1.00 45.00 N ATOM 1828 CD2 HIS A 111 -21.739 -15.578 37.980 1.00 32.32 C ATOM 1829 CE1 HIS A 111 -22.385 -14.791 39.915 1.00 55.45 C ATOM 1830 NE2 HIS A 111 -21.549 -14.597 38.918 1.00 51.22 N ATOM 0 H HIS A 111 -23.752 -15.762 35.518 1.00 51.10 H new ATOM 0 HA HIS A 111 -24.903 -18.269 36.460 1.00 64.41 H new ATOM 0 HB2 HIS A 111 -23.845 -18.192 38.636 1.00 14.54 H new ATOM 0 HB3 HIS A 111 -22.582 -18.256 37.424 1.00 14.54 H new ATOM 0 HD2 HIS A 111 -21.201 -15.688 37.050 1.00 32.32 H new ATOM 0 HE1 HIS A 111 -22.463 -14.177 40.800 1.00 55.45 H new ATOM 0 HE2 HIS A 111 -20.869 -13.839 38.853 1.00 51.22 H new ATOM 1839 N HIS A 112 -26.181 -16.784 38.293 1.00 21.10 N ATOM 1840 CA HIS A 112 -27.104 -15.927 39.041 1.00 2.52 C ATOM 1841 C HIS A 112 -26.326 -15.278 40.212 1.00 73.33 C ATOM 1842 O HIS A 112 -25.975 -14.088 40.129 1.00 63.14 O ATOM 1843 CB HIS A 112 -28.320 -16.753 39.540 1.00 22.41 C ATOM 1844 CG HIS A 112 -29.071 -17.456 38.441 1.00 75.44 C ATOM 1845 ND1 HIS A 112 -28.866 -18.780 38.121 1.00 11.14 N ATOM 1846 CD2 HIS A 112 -30.022 -17.011 37.585 1.00 14.25 C ATOM 1847 CE1 HIS A 112 -29.655 -19.117 37.125 1.00 13.43 C ATOM 1848 NE2 HIS A 112 -30.365 -18.065 36.785 1.00 1.52 N ATOM 1849 OXT HIS A 112 -26.003 -15.991 41.181 1.00 37.65 O ATOM 0 H HIS A 112 -26.127 -17.738 38.650 1.00 21.10 H new ATOM 0 HA HIS A 112 -27.499 -15.138 38.400 1.00 2.52 H new ATOM 0 HB2 HIS A 112 -27.973 -17.493 40.261 1.00 22.41 H new ATOM 0 HB3 HIS A 112 -29.005 -16.090 40.069 1.00 22.41 H new ATOM 0 HD2 HIS A 112 -30.432 -16.013 37.543 1.00 14.25 H new ATOM 0 HE1 HIS A 112 -29.710 -20.092 36.665 1.00 13.43 H new ATOM 0 HE2 HIS A 112 -31.062 -18.039 36.041 1.00 1.52 H new TER 1858 HIS A 112