USER MOD reduce.3.24.130724 H: found=0, std=0, add=734, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 734 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 MET CE :methyl 161:sc= -0.0911 (180deg=-0.544) USER MOD Single : A 1 MET N :NH3+ 178:sc= -0.126 (180deg=-0.135) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0.0476 USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 ASN : amide:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 13 LYS NZ :NH3+ 131:sc= -0.816 (180deg=-1.39) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ -123:sc= 1.16 (180deg=-0.488) USER MOD Single : A 17 LYS NZ :NH3+ 153:sc= 2.11 (180deg=0.73) USER MOD Single : A 25 SER OG : rot 160:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ -145:sc= 1.24 (180deg=0.443) USER MOD Single : A 32 MET CE :methyl -123:sc= -1.19 (180deg=-2.79!) USER MOD Single : A 34 MET CE :methyl -165:sc= -0.0858 (180deg=-0.497) USER MOD Single : A 40 THR OG1 : rot -140:sc= 0.105 USER MOD Single : A 43 TYR OH : rot -75:sc= 0.0137 USER MOD Single : A 47 LYS NZ :NH3+ 151:sc= 0.574 (180deg=0.232) USER MOD Single : A 50 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot 170:sc= 0.0233 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ 140:sc= 0.439 (180deg=-1.8!) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 82 HIS : no HD1:sc= -0.3 X(o=-0.3,f=-0.19) USER MOD Single : A 83 HIS : no HE2:sc= -0.839 K(o=-0.84,f=-5.9!) USER MOD Single : A 84 HIS : no HD1:sc= -0.242 X(o=-0.24,f=-0.038) USER MOD Single : A 85 HIS : no HD1:sc= -0.129 X(o=-0.13,f=-0.09) USER MOD Single : A 86 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 9.419 6.003 17.140 1.00 44.53 N ATOM 2 CA MET A 1 8.476 6.217 16.017 1.00 22.11 C ATOM 3 C MET A 1 8.971 5.538 14.743 1.00 44.02 C ATOM 4 O MET A 1 8.248 5.470 13.746 1.00 13.42 O ATOM 5 CB MET A 1 8.287 7.715 15.747 1.00 71.23 C ATOM 6 CG MET A 1 9.549 8.418 15.269 1.00 12.32 C ATOM 7 SD MET A 1 9.284 10.164 14.908 1.00 73.44 S ATOM 8 CE MET A 1 8.838 10.783 16.529 1.00 15.44 C ATOM 0 H1 MET A 1 9.074 6.504 17.983 1.00 44.53 H new ATOM 0 H2 MET A 1 9.489 4.986 17.346 1.00 44.53 H new ATOM 0 H3 MET A 1 10.357 6.369 16.880 1.00 44.53 H new ATOM 0 HA MET A 1 7.522 5.776 16.305 1.00 22.11 H new ATOM 0 HB2 MET A 1 7.505 7.844 14.998 1.00 71.23 H new ATOM 0 HB3 MET A 1 7.937 8.198 16.660 1.00 71.23 H new ATOM 0 HG2 MET A 1 10.323 8.323 16.031 1.00 12.32 H new ATOM 0 HG3 MET A 1 9.920 7.919 14.374 1.00 12.32 H new ATOM 0 HE1 MET A 1 8.971 11.865 16.555 1.00 15.44 H new ATOM 0 HE2 MET A 1 7.796 10.540 16.737 1.00 15.44 H new ATOM 0 HE3 MET A 1 9.475 10.321 17.283 1.00 15.44 H new ATOM 20 N THR A 2 10.200 5.035 14.774 1.00 2.22 N ATOM 21 CA THR A 2 10.809 4.431 13.601 1.00 4.14 C ATOM 22 C THR A 2 10.321 3.002 13.382 1.00 73.53 C ATOM 23 O THR A 2 11.017 2.031 13.688 1.00 74.15 O ATOM 24 CB THR A 2 12.345 4.457 13.704 1.00 24.04 C ATOM 25 OG1 THR A 2 12.742 4.268 15.072 1.00 42.33 O ATOM 26 CG2 THR A 2 12.899 5.775 13.182 1.00 53.31 C ATOM 0 H THR A 2 10.794 5.035 15.603 1.00 2.22 H new ATOM 0 HA THR A 2 10.504 5.025 12.740 1.00 4.14 H new ATOM 0 HB THR A 2 12.747 3.649 13.093 1.00 24.04 H new ATOM 0 HG1 THR A 2 13.720 4.283 15.134 1.00 42.33 H new ATOM 0 HG21 THR A 2 13.986 5.771 13.264 1.00 53.31 H new ATOM 0 HG22 THR A 2 12.615 5.901 12.137 1.00 53.31 H new ATOM 0 HG23 THR A 2 12.494 6.598 13.770 1.00 53.31 H new ATOM 34 N LYS A 3 9.098 2.893 12.890 1.00 33.02 N ATOM 35 CA LYS A 3 8.501 1.614 12.544 1.00 54.54 C ATOM 36 C LYS A 3 7.653 1.760 11.292 1.00 12.31 C ATOM 37 O LYS A 3 6.516 2.235 11.347 1.00 52.04 O ATOM 38 CB LYS A 3 7.650 1.070 13.699 1.00 62.13 C ATOM 39 CG LYS A 3 8.433 0.246 14.708 1.00 74.11 C ATOM 40 CD LYS A 3 8.979 -1.029 14.081 1.00 44.15 C ATOM 41 CE LYS A 3 9.714 -1.892 15.094 1.00 71.20 C ATOM 42 NZ LYS A 3 10.182 -3.169 14.490 1.00 24.22 N ATOM 0 H LYS A 3 8.489 3.693 12.719 1.00 33.02 H new ATOM 0 HA LYS A 3 9.304 0.903 12.353 1.00 54.54 H new ATOM 0 HB2 LYS A 3 7.179 1.907 14.215 1.00 62.13 H new ATOM 0 HB3 LYS A 3 6.848 0.457 13.288 1.00 62.13 H new ATOM 0 HG2 LYS A 3 9.257 0.840 15.104 1.00 74.11 H new ATOM 0 HG3 LYS A 3 7.789 -0.008 15.550 1.00 74.11 H new ATOM 0 HD2 LYS A 3 8.158 -1.600 13.646 1.00 44.15 H new ATOM 0 HD3 LYS A 3 9.655 -0.771 13.266 1.00 44.15 H new ATOM 0 HE2 LYS A 3 10.568 -1.342 15.490 1.00 71.20 H new ATOM 0 HE3 LYS A 3 9.055 -2.107 15.935 1.00 71.20 H new ATOM 0 HZ1 LYS A 3 10.679 -3.732 15.210 1.00 24.22 H new ATOM 0 HZ2 LYS A 3 9.365 -3.705 14.135 1.00 24.22 H new ATOM 0 HZ3 LYS A 3 10.830 -2.964 13.703 1.00 24.22 H new ATOM 56 N GLY A 4 8.231 1.381 10.166 1.00 1.34 N ATOM 57 CA GLY A 4 7.520 1.431 8.910 1.00 42.24 C ATOM 58 C GLY A 4 7.755 0.182 8.092 1.00 42.01 C ATOM 59 O GLY A 4 8.902 -0.173 7.805 1.00 12.22 O ATOM 0 H GLY A 4 9.189 1.037 10.100 1.00 1.34 H new ATOM 0 HA2 GLY A 4 6.453 1.548 9.099 1.00 42.24 H new ATOM 0 HA3 GLY A 4 7.841 2.305 8.343 1.00 42.24 H new ATOM 63 N ILE A 5 6.683 -0.497 7.734 1.00 55.42 N ATOM 64 CA ILE A 5 6.789 -1.722 6.958 1.00 73.24 C ATOM 65 C ILE A 5 6.319 -1.483 5.537 1.00 61.34 C ATOM 66 O ILE A 5 5.651 -0.485 5.259 1.00 61.45 O ATOM 67 CB ILE A 5 5.969 -2.874 7.578 1.00 12.15 C ATOM 68 CG1 ILE A 5 4.492 -2.479 7.697 1.00 60.01 C ATOM 69 CG2 ILE A 5 6.537 -3.261 8.937 1.00 63.32 C ATOM 70 CD1 ILE A 5 3.602 -3.582 8.234 1.00 10.43 C ATOM 0 H ILE A 5 5.728 -0.224 7.967 1.00 55.42 H new ATOM 0 HA ILE A 5 7.839 -2.014 6.961 1.00 73.24 H new ATOM 0 HB ILE A 5 6.037 -3.741 6.921 1.00 12.15 H new ATOM 0 HG12 ILE A 5 4.410 -1.610 8.349 1.00 60.01 H new ATOM 0 HG13 ILE A 5 4.127 -2.177 6.716 1.00 60.01 H new ATOM 0 HG21 ILE A 5 5.947 -4.074 9.360 1.00 63.32 H new ATOM 0 HG22 ILE A 5 7.571 -3.585 8.820 1.00 63.32 H new ATOM 0 HG23 ILE A 5 6.500 -2.401 9.605 1.00 63.32 H new ATOM 0 HD11 ILE A 5 2.573 -3.225 8.289 1.00 10.43 H new ATOM 0 HD12 ILE A 5 3.652 -4.445 7.570 1.00 10.43 H new ATOM 0 HD13 ILE A 5 3.940 -3.870 9.230 1.00 10.43 H new ATOM 82 N GLY A 6 6.677 -2.388 4.646 1.00 61.01 N ATOM 83 CA GLY A 6 6.266 -2.270 3.272 1.00 0.35 C ATOM 84 C GLY A 6 4.789 -2.541 3.104 1.00 43.03 C ATOM 85 O GLY A 6 4.173 -3.210 3.935 1.00 32.13 O ATOM 0 H GLY A 6 7.249 -3.207 4.854 1.00 61.01 H new ATOM 0 HA2 GLY A 6 6.496 -1.268 2.908 1.00 0.35 H new ATOM 0 HA3 GLY A 6 6.836 -2.970 2.661 1.00 0.35 H new ATOM 89 N LEU A 7 4.225 -2.035 2.022 1.00 71.50 N ATOM 90 CA LEU A 7 2.807 -2.194 1.733 1.00 12.12 C ATOM 91 C LEU A 7 2.437 -3.670 1.574 1.00 23.40 C ATOM 92 O LEU A 7 1.287 -4.058 1.770 1.00 52.42 O ATOM 93 CB LEU A 7 2.461 -1.415 0.461 1.00 14.12 C ATOM 94 CG LEU A 7 0.983 -1.398 0.067 1.00 62.10 C ATOM 95 CD1 LEU A 7 0.150 -0.719 1.143 1.00 73.32 C ATOM 96 CD2 LEU A 7 0.805 -0.700 -1.275 1.00 23.51 C ATOM 0 H LEU A 7 4.735 -1.502 1.318 1.00 71.50 H new ATOM 0 HA LEU A 7 2.231 -1.800 2.570 1.00 12.12 H new ATOM 0 HB2 LEU A 7 2.795 -0.385 0.587 1.00 14.12 H new ATOM 0 HB3 LEU A 7 3.032 -1.836 -0.366 1.00 14.12 H new ATOM 0 HG LEU A 7 0.636 -2.427 -0.030 1.00 62.10 H new ATOM 0 HD11 LEU A 7 -0.898 -0.717 0.844 1.00 73.32 H new ATOM 0 HD12 LEU A 7 0.258 -1.260 2.083 1.00 73.32 H new ATOM 0 HD13 LEU A 7 0.492 0.308 1.274 1.00 73.32 H new ATOM 0 HD21 LEU A 7 -0.251 -0.694 -1.545 1.00 23.51 H new ATOM 0 HD22 LEU A 7 1.167 0.326 -1.202 1.00 23.51 H new ATOM 0 HD23 LEU A 7 1.372 -1.231 -2.039 1.00 23.51 H new ATOM 108 N ASN A 8 3.421 -4.496 1.237 1.00 42.35 N ATOM 109 CA ASN A 8 3.182 -5.918 1.035 1.00 24.53 C ATOM 110 C ASN A 8 3.292 -6.689 2.350 1.00 0.22 C ATOM 111 O ASN A 8 2.988 -7.881 2.405 1.00 23.41 O ATOM 112 CB ASN A 8 4.162 -6.493 0.002 1.00 52.44 C ATOM 113 CG ASN A 8 5.559 -6.733 0.556 1.00 3.31 C ATOM 114 OD1 ASN A 8 5.855 -7.811 1.076 1.00 44.10 O ATOM 115 ND2 ASN A 8 6.435 -5.746 0.429 1.00 51.25 N ATOM 0 H ASN A 8 4.389 -4.205 1.098 1.00 42.35 H new ATOM 0 HA ASN A 8 2.166 -6.032 0.656 1.00 24.53 H new ATOM 0 HB2 ASN A 8 3.765 -7.434 -0.379 1.00 52.44 H new ATOM 0 HB3 ASN A 8 4.228 -5.809 -0.844 1.00 52.44 H new ATOM 0 HD21 ASN A 8 7.390 -5.865 0.767 1.00 51.25 H new ATOM 0 HD22 ASN A 8 6.154 -4.868 -0.007 1.00 51.25 H new ATOM 122 N GLU A 9 3.720 -6.002 3.407 1.00 32.32 N ATOM 123 CA GLU A 9 3.894 -6.622 4.713 1.00 62.50 C ATOM 124 C GLU A 9 2.661 -6.397 5.585 1.00 15.00 C ATOM 125 O GLU A 9 2.607 -6.843 6.731 1.00 24.21 O ATOM 126 CB GLU A 9 5.126 -6.040 5.409 1.00 61.21 C ATOM 127 CG GLU A 9 6.434 -6.328 4.700 1.00 62.25 C ATOM 128 CD GLU A 9 7.627 -5.718 5.410 1.00 33.10 C ATOM 129 OE1 GLU A 9 8.096 -6.303 6.409 1.00 32.35 O ATOM 130 OE2 GLU A 9 8.097 -4.646 4.979 1.00 71.15 O ATOM 0 H GLU A 9 3.953 -5.009 3.381 1.00 32.32 H new ATOM 0 HA GLU A 9 4.031 -7.694 4.568 1.00 62.50 H new ATOM 0 HB2 GLU A 9 5.004 -4.961 5.497 1.00 61.21 H new ATOM 0 HB3 GLU A 9 5.179 -6.439 6.422 1.00 61.21 H new ATOM 0 HG2 GLU A 9 6.573 -7.407 4.625 1.00 62.25 H new ATOM 0 HG3 GLU A 9 6.384 -5.941 3.682 1.00 62.25 H new ATOM 137 N VAL A 10 1.672 -5.704 5.031 1.00 14.34 N ATOM 138 CA VAL A 10 0.473 -5.343 5.779 1.00 24.04 C ATOM 139 C VAL A 10 -0.599 -6.429 5.646 1.00 41.22 C ATOM 140 O VAL A 10 -0.527 -7.282 4.757 1.00 52.44 O ATOM 141 CB VAL A 10 -0.092 -3.990 5.285 1.00 61.34 C ATOM 142 CG1 VAL A 10 -1.162 -3.458 6.226 1.00 50.41 C ATOM 143 CG2 VAL A 10 1.024 -2.970 5.128 1.00 65.35 C ATOM 0 H VAL A 10 1.677 -5.380 4.064 1.00 14.34 H new ATOM 0 HA VAL A 10 0.751 -5.249 6.829 1.00 24.04 H new ATOM 0 HB VAL A 10 -0.553 -4.161 4.312 1.00 61.34 H new ATOM 0 HG11 VAL A 10 -1.537 -2.507 5.849 1.00 50.41 H new ATOM 0 HG12 VAL A 10 -1.982 -4.173 6.286 1.00 50.41 H new ATOM 0 HG13 VAL A 10 -0.734 -3.312 7.218 1.00 50.41 H new ATOM 0 HG21 VAL A 10 0.607 -2.025 4.780 1.00 65.35 H new ATOM 0 HG22 VAL A 10 1.515 -2.818 6.089 1.00 65.35 H new ATOM 0 HG23 VAL A 10 1.751 -3.335 4.402 1.00 65.35 H new ATOM 153 N GLU A 11 -1.581 -6.397 6.538 1.00 11.53 N ATOM 154 CA GLU A 11 -2.685 -7.344 6.509 1.00 35.31 C ATOM 155 C GLU A 11 -3.752 -6.871 5.527 1.00 3.21 C ATOM 156 O GLU A 11 -3.758 -5.712 5.110 1.00 62.31 O ATOM 157 CB GLU A 11 -3.281 -7.498 7.911 1.00 5.44 C ATOM 158 CG GLU A 11 -4.207 -8.693 8.071 1.00 61.21 C ATOM 159 CD GLU A 11 -4.761 -8.813 9.475 1.00 31.13 C ATOM 160 OE1 GLU A 11 -4.041 -9.313 10.362 1.00 53.14 O ATOM 161 OE2 GLU A 11 -5.926 -8.417 9.694 1.00 3.34 O ATOM 0 H GLU A 11 -1.634 -5.718 7.297 1.00 11.53 H new ATOM 0 HA GLU A 11 -2.313 -8.314 6.180 1.00 35.31 H new ATOM 0 HB2 GLU A 11 -2.467 -7.585 8.631 1.00 5.44 H new ATOM 0 HB3 GLU A 11 -3.832 -6.591 8.160 1.00 5.44 H new ATOM 0 HG2 GLU A 11 -5.032 -8.606 7.364 1.00 61.21 H new ATOM 0 HG3 GLU A 11 -3.666 -9.605 7.818 1.00 61.21 H new ATOM 168 N ILE A 12 -4.653 -7.767 5.174 1.00 0.04 N ATOM 169 CA ILE A 12 -5.695 -7.464 4.203 1.00 54.10 C ATOM 170 C ILE A 12 -6.897 -6.816 4.882 1.00 41.01 C ATOM 171 O ILE A 12 -7.029 -6.879 6.104 1.00 12.00 O ATOM 172 CB ILE A 12 -6.144 -8.729 3.445 1.00 30.40 C ATOM 173 CG1 ILE A 12 -6.544 -9.836 4.429 1.00 0.33 C ATOM 174 CG2 ILE A 12 -5.037 -9.202 2.512 1.00 34.55 C ATOM 175 CD1 ILE A 12 -6.997 -11.116 3.757 1.00 51.25 C ATOM 0 H ILE A 12 -4.687 -8.716 5.545 1.00 0.04 H new ATOM 0 HA ILE A 12 -5.273 -6.763 3.483 1.00 54.10 H new ATOM 0 HB ILE A 12 -7.019 -8.485 2.843 1.00 30.40 H new ATOM 0 HG12 ILE A 12 -5.696 -10.057 5.077 1.00 0.33 H new ATOM 0 HG13 ILE A 12 -7.347 -9.468 5.068 1.00 0.33 H new ATOM 0 HG21 ILE A 12 -5.365 -10.096 1.982 1.00 34.55 H new ATOM 0 HG22 ILE A 12 -4.808 -8.417 1.792 1.00 34.55 H new ATOM 0 HG23 ILE A 12 -4.144 -9.432 3.094 1.00 34.55 H new ATOM 0 HD11 ILE A 12 -7.263 -11.851 4.516 1.00 51.25 H new ATOM 0 HD12 ILE A 12 -7.865 -10.911 3.131 1.00 51.25 H new ATOM 0 HD13 ILE A 12 -6.189 -11.508 3.140 1.00 51.25 H new ATOM 187 N LYS A 13 -7.761 -6.180 4.083 1.00 1.14 N ATOM 188 CA LYS A 13 -8.951 -5.488 4.594 1.00 22.24 C ATOM 189 C LYS A 13 -8.571 -4.385 5.579 1.00 20.24 C ATOM 190 O LYS A 13 -9.366 -3.998 6.435 1.00 51.40 O ATOM 191 CB LYS A 13 -9.919 -6.474 5.256 1.00 24.24 C ATOM 192 CG LYS A 13 -10.548 -7.464 4.286 1.00 73.31 C ATOM 193 CD LYS A 13 -11.547 -8.377 4.984 1.00 11.32 C ATOM 194 CE LYS A 13 -10.883 -9.236 6.050 1.00 12.24 C ATOM 195 NZ LYS A 13 -9.849 -10.134 5.474 1.00 62.21 N ATOM 0 H LYS A 13 -7.657 -6.130 3.070 1.00 1.14 H new ATOM 0 HA LYS A 13 -9.451 -5.029 3.741 1.00 22.24 H new ATOM 0 HB2 LYS A 13 -9.387 -7.027 6.030 1.00 24.24 H new ATOM 0 HB3 LYS A 13 -10.711 -5.913 5.752 1.00 24.24 H new ATOM 0 HG2 LYS A 13 -11.049 -6.921 3.485 1.00 73.31 H new ATOM 0 HG3 LYS A 13 -9.767 -8.066 3.822 1.00 73.31 H new ATOM 0 HD2 LYS A 13 -12.332 -7.774 5.441 1.00 11.32 H new ATOM 0 HD3 LYS A 13 -12.027 -9.020 4.247 1.00 11.32 H new ATOM 0 HE2 LYS A 13 -10.427 -8.593 6.802 1.00 12.24 H new ATOM 0 HE3 LYS A 13 -11.640 -9.833 6.558 1.00 12.24 H new ATOM 0 HZ1 LYS A 13 -8.973 -10.055 6.028 1.00 62.21 H new ATOM 0 HZ2 LYS A 13 -10.188 -11.117 5.501 1.00 62.21 H new ATOM 0 HZ3 LYS A 13 -9.661 -9.860 4.489 1.00 62.21 H new ATOM 209 N SER A 14 -7.358 -3.873 5.443 1.00 11.25 N ATOM 210 CA SER A 14 -6.880 -2.811 6.309 1.00 14.33 C ATOM 211 C SER A 14 -6.786 -1.495 5.540 1.00 40.02 C ATOM 212 O SER A 14 -6.748 -1.485 4.312 1.00 45.20 O ATOM 213 CB SER A 14 -5.517 -3.184 6.898 1.00 23.51 C ATOM 214 OG SER A 14 -5.605 -4.368 7.673 1.00 43.12 O ATOM 0 H SER A 14 -6.686 -4.178 4.739 1.00 11.25 H new ATOM 0 HA SER A 14 -7.590 -2.681 7.126 1.00 14.33 H new ATOM 0 HB2 SER A 14 -4.795 -3.325 6.093 1.00 23.51 H new ATOM 0 HB3 SER A 14 -5.148 -2.366 7.517 1.00 23.51 H new ATOM 0 HG SER A 14 -4.722 -4.587 8.037 1.00 43.12 H new ATOM 220 N LYS A 15 -6.767 -0.393 6.268 1.00 53.32 N ATOM 221 CA LYS A 15 -6.642 0.927 5.670 1.00 10.51 C ATOM 222 C LYS A 15 -5.341 1.555 6.142 1.00 20.23 C ATOM 223 O LYS A 15 -5.133 1.730 7.344 1.00 71.21 O ATOM 224 CB LYS A 15 -7.854 1.777 6.059 1.00 31.00 C ATOM 225 CG LYS A 15 -7.986 3.092 5.307 1.00 1.21 C ATOM 226 CD LYS A 15 -9.424 3.587 5.366 1.00 42.13 C ATOM 227 CE LYS A 15 -9.617 4.925 4.668 1.00 21.14 C ATOM 228 NZ LYS A 15 -9.184 6.070 5.509 1.00 74.05 N ATOM 0 H LYS A 15 -6.837 -0.386 7.286 1.00 53.32 H new ATOM 0 HA LYS A 15 -6.618 0.859 4.582 1.00 10.51 H new ATOM 0 HB2 LYS A 15 -8.758 1.190 5.895 1.00 31.00 H new ATOM 0 HB3 LYS A 15 -7.801 1.990 7.127 1.00 31.00 H new ATOM 0 HG2 LYS A 15 -7.319 3.837 5.741 1.00 1.21 H new ATOM 0 HG3 LYS A 15 -7.682 2.958 4.269 1.00 1.21 H new ATOM 0 HD2 LYS A 15 -10.078 2.845 4.907 1.00 42.13 H new ATOM 0 HD3 LYS A 15 -9.729 3.679 6.408 1.00 42.13 H new ATOM 0 HE2 LYS A 15 -9.054 4.930 3.735 1.00 21.14 H new ATOM 0 HE3 LYS A 15 -10.668 5.047 4.406 1.00 21.14 H new ATOM 0 HZ1 LYS A 15 -9.978 6.731 5.631 1.00 74.05 H new ATOM 0 HZ2 LYS A 15 -8.878 5.721 6.440 1.00 74.05 H new ATOM 0 HZ3 LYS A 15 -8.393 6.561 5.046 1.00 74.05 H new ATOM 242 N VAL A 16 -4.460 1.858 5.204 1.00 22.45 N ATOM 243 CA VAL A 16 -3.103 2.273 5.537 1.00 64.41 C ATOM 244 C VAL A 16 -2.746 3.610 4.909 1.00 13.53 C ATOM 245 O VAL A 16 -3.325 4.012 3.899 1.00 2.54 O ATOM 246 CB VAL A 16 -2.071 1.213 5.089 1.00 63.03 C ATOM 247 CG1 VAL A 16 -2.288 -0.094 5.834 1.00 30.25 C ATOM 248 CG2 VAL A 16 -2.140 0.988 3.582 1.00 10.21 C ATOM 0 H VAL A 16 -4.658 1.825 4.204 1.00 22.45 H new ATOM 0 HA VAL A 16 -3.070 2.379 6.621 1.00 64.41 H new ATOM 0 HB VAL A 16 -1.076 1.587 5.331 1.00 63.03 H new ATOM 0 HG11 VAL A 16 -1.552 -0.827 5.505 1.00 30.25 H new ATOM 0 HG12 VAL A 16 -2.178 0.075 6.905 1.00 30.25 H new ATOM 0 HG13 VAL A 16 -3.291 -0.469 5.627 1.00 30.25 H new ATOM 0 HG21 VAL A 16 -1.404 0.238 3.292 1.00 10.21 H new ATOM 0 HG22 VAL A 16 -3.137 0.642 3.311 1.00 10.21 H new ATOM 0 HG23 VAL A 16 -1.928 1.923 3.064 1.00 10.21 H new ATOM 258 N LYS A 17 -1.789 4.289 5.521 1.00 73.41 N ATOM 259 CA LYS A 17 -1.312 5.569 5.031 1.00 15.25 C ATOM 260 C LYS A 17 0.155 5.473 4.650 1.00 23.22 C ATOM 261 O LYS A 17 0.940 4.797 5.316 1.00 73.24 O ATOM 262 CB LYS A 17 -1.512 6.634 6.102 1.00 10.12 C ATOM 263 CG LYS A 17 -1.021 8.021 5.721 1.00 41.01 C ATOM 264 CD LYS A 17 -1.339 9.037 6.808 1.00 61.13 C ATOM 265 CE LYS A 17 -2.841 9.189 7.013 1.00 51.02 C ATOM 266 NZ LYS A 17 -3.496 9.891 5.879 1.00 62.23 N ATOM 0 H LYS A 17 -1.323 3.968 6.370 1.00 73.41 H new ATOM 0 HA LYS A 17 -1.881 5.846 4.143 1.00 15.25 H new ATOM 0 HB2 LYS A 17 -2.574 6.693 6.342 1.00 10.12 H new ATOM 0 HB3 LYS A 17 -0.997 6.318 7.009 1.00 10.12 H new ATOM 0 HG2 LYS A 17 0.055 7.994 5.549 1.00 41.01 H new ATOM 0 HG3 LYS A 17 -1.486 8.329 4.785 1.00 41.01 H new ATOM 0 HD2 LYS A 17 -0.873 8.727 7.744 1.00 61.13 H new ATOM 0 HD3 LYS A 17 -0.908 10.002 6.542 1.00 61.13 H new ATOM 0 HE2 LYS A 17 -3.290 8.204 7.136 1.00 51.02 H new ATOM 0 HE3 LYS A 17 -3.026 9.741 7.935 1.00 51.02 H new ATOM 0 HZ1 LYS A 17 -4.489 9.590 5.811 1.00 62.23 H new ATOM 0 HZ2 LYS A 17 -3.456 10.918 6.037 1.00 62.23 H new ATOM 0 HZ3 LYS A 17 -3.002 9.657 4.994 1.00 62.23 H new ATOM 280 N VAL A 18 0.515 6.158 3.585 1.00 44.44 N ATOM 281 CA VAL A 18 1.866 6.107 3.059 1.00 45.24 C ATOM 282 C VAL A 18 2.772 7.070 3.814 1.00 22.13 C ATOM 283 O VAL A 18 2.763 8.281 3.565 1.00 25.40 O ATOM 284 CB VAL A 18 1.905 6.426 1.548 1.00 13.23 C ATOM 285 CG1 VAL A 18 3.332 6.379 1.020 1.00 34.03 C ATOM 286 CG2 VAL A 18 1.021 5.458 0.775 1.00 63.11 C ATOM 0 H VAL A 18 -0.116 6.764 3.060 1.00 44.44 H new ATOM 0 HA VAL A 18 2.228 5.088 3.198 1.00 45.24 H new ATOM 0 HB VAL A 18 1.522 7.436 1.405 1.00 13.23 H new ATOM 0 HG11 VAL A 18 3.333 6.607 -0.046 1.00 34.03 H new ATOM 0 HG12 VAL A 18 3.940 7.113 1.549 1.00 34.03 H new ATOM 0 HG13 VAL A 18 3.746 5.383 1.179 1.00 34.03 H new ATOM 0 HG21 VAL A 18 1.061 5.698 -0.288 1.00 63.11 H new ATOM 0 HG22 VAL A 18 1.375 4.439 0.930 1.00 63.11 H new ATOM 0 HG23 VAL A 18 -0.007 5.543 1.128 1.00 63.11 H new ATOM 296 N ILE A 19 3.501 6.522 4.777 1.00 52.44 N ATOM 297 CA ILE A 19 4.520 7.268 5.503 1.00 0.04 C ATOM 298 C ILE A 19 5.564 7.818 4.537 1.00 30.04 C ATOM 299 O ILE A 19 5.834 9.020 4.511 1.00 63.50 O ATOM 300 CB ILE A 19 5.235 6.383 6.544 1.00 21.00 C ATOM 301 CG1 ILE A 19 4.218 5.668 7.435 1.00 45.14 C ATOM 302 CG2 ILE A 19 6.188 7.225 7.385 1.00 22.01 C ATOM 303 CD1 ILE A 19 4.855 4.758 8.464 1.00 53.22 C ATOM 0 H ILE A 19 3.403 5.552 5.076 1.00 52.44 H new ATOM 0 HA ILE A 19 4.014 8.085 6.018 1.00 0.04 H new ATOM 0 HB ILE A 19 5.814 5.625 6.016 1.00 21.00 H new ATOM 0 HG12 ILE A 19 3.608 6.412 7.947 1.00 45.14 H new ATOM 0 HG13 ILE A 19 3.546 5.081 6.808 1.00 45.14 H new ATOM 0 HG21 ILE A 19 6.687 6.589 8.116 1.00 22.01 H new ATOM 0 HG22 ILE A 19 6.933 7.687 6.738 1.00 22.01 H new ATOM 0 HG23 ILE A 19 5.626 8.002 7.903 1.00 22.01 H new ATOM 0 HD11 ILE A 19 4.077 4.283 9.061 1.00 53.22 H new ATOM 0 HD12 ILE A 19 5.442 3.992 7.958 1.00 53.22 H new ATOM 0 HD13 ILE A 19 5.505 5.343 9.114 1.00 53.22 H new ATOM 315 N GLY A 20 6.144 6.933 3.736 1.00 24.14 N ATOM 316 CA GLY A 20 7.169 7.350 2.807 1.00 0.12 C ATOM 317 C GLY A 20 7.365 6.378 1.665 1.00 33.41 C ATOM 318 O GLY A 20 6.907 5.234 1.711 1.00 32.22 O ATOM 0 H GLY A 20 5.922 5.938 3.715 1.00 24.14 H new ATOM 0 HA2 GLY A 20 6.909 8.328 2.403 1.00 0.12 H new ATOM 0 HA3 GLY A 20 8.111 7.467 3.343 1.00 0.12 H new ATOM 322 N ILE A 21 8.064 6.851 0.651 1.00 41.40 N ATOM 323 CA ILE A 21 8.348 6.084 -0.549 1.00 2.42 C ATOM 324 C ILE A 21 9.862 5.948 -0.702 1.00 60.22 C ATOM 325 O ILE A 21 10.611 6.729 -0.117 1.00 34.21 O ATOM 326 CB ILE A 21 7.738 6.774 -1.796 1.00 2.14 C ATOM 327 CG1 ILE A 21 6.221 6.938 -1.626 1.00 31.42 C ATOM 328 CG2 ILE A 21 8.039 5.997 -3.071 1.00 35.32 C ATOM 329 CD1 ILE A 21 5.542 7.599 -2.808 1.00 70.15 C ATOM 0 H ILE A 21 8.457 7.792 0.637 1.00 41.40 H new ATOM 0 HA ILE A 21 7.898 5.095 -0.462 1.00 2.42 H new ATOM 0 HB ILE A 21 8.198 7.758 -1.886 1.00 2.14 H new ATOM 0 HG12 ILE A 21 5.775 5.957 -1.464 1.00 31.42 H new ATOM 0 HG13 ILE A 21 6.027 7.528 -0.730 1.00 31.42 H new ATOM 0 HG21 ILE A 21 7.595 6.511 -3.924 1.00 35.32 H new ATOM 0 HG22 ILE A 21 9.118 5.929 -3.209 1.00 35.32 H new ATOM 0 HG23 ILE A 21 7.619 4.994 -2.994 1.00 35.32 H new ATOM 0 HD11 ILE A 21 4.472 7.680 -2.614 1.00 70.15 H new ATOM 0 HD12 ILE A 21 5.960 8.594 -2.958 1.00 70.15 H new ATOM 0 HD13 ILE A 21 5.704 6.999 -3.703 1.00 70.15 H new ATOM 341 N VAL A 22 10.303 4.955 -1.456 1.00 4.15 N ATOM 342 CA VAL A 22 11.723 4.713 -1.674 1.00 63.44 C ATOM 343 C VAL A 22 12.149 5.279 -3.031 1.00 21.22 C ATOM 344 O VAL A 22 12.002 4.626 -4.066 1.00 22.52 O ATOM 345 CB VAL A 22 12.062 3.207 -1.608 1.00 24.11 C ATOM 346 CG1 VAL A 22 13.553 2.979 -1.802 1.00 74.01 C ATOM 347 CG2 VAL A 22 11.598 2.609 -0.288 1.00 55.12 C ATOM 0 H VAL A 22 9.690 4.294 -1.934 1.00 4.15 H new ATOM 0 HA VAL A 22 12.270 5.217 -0.877 1.00 63.44 H new ATOM 0 HB VAL A 22 11.532 2.705 -2.418 1.00 24.11 H new ATOM 0 HG11 VAL A 22 13.767 1.911 -1.752 1.00 74.01 H new ATOM 0 HG12 VAL A 22 13.856 3.364 -2.775 1.00 74.01 H new ATOM 0 HG13 VAL A 22 14.105 3.497 -1.018 1.00 74.01 H new ATOM 0 HG21 VAL A 22 11.846 1.548 -0.262 1.00 55.12 H new ATOM 0 HG22 VAL A 22 12.096 3.118 0.537 1.00 55.12 H new ATOM 0 HG23 VAL A 22 10.519 2.732 -0.192 1.00 55.12 H new ATOM 357 N PRO A 23 12.612 6.546 -3.042 1.00 12.44 N ATOM 358 CA PRO A 23 12.925 7.277 -4.276 1.00 23.25 C ATOM 359 C PRO A 23 14.047 6.636 -5.090 1.00 11.15 C ATOM 360 O PRO A 23 14.719 5.709 -4.629 1.00 11.42 O ATOM 361 CB PRO A 23 13.357 8.661 -3.779 1.00 10.13 C ATOM 362 CG PRO A 23 13.800 8.439 -2.377 1.00 1.12 C ATOM 363 CD PRO A 23 12.917 7.348 -1.845 1.00 34.30 C ATOM 0 HA PRO A 23 12.068 7.293 -4.950 1.00 23.25 H new ATOM 0 HB2 PRO A 23 14.164 9.067 -4.389 1.00 10.13 H new ATOM 0 HB3 PRO A 23 12.533 9.373 -3.826 1.00 10.13 H new ATOM 0 HG2 PRO A 23 14.850 8.148 -2.339 1.00 1.12 H new ATOM 0 HG3 PRO A 23 13.700 9.349 -1.785 1.00 1.12 H new ATOM 0 HD2 PRO A 23 13.424 6.756 -1.083 1.00 34.30 H new ATOM 0 HD3 PRO A 23 12.012 7.749 -1.388 1.00 34.30 H new ATOM 371 N GLU A 24 14.241 7.159 -6.304 1.00 2.33 N ATOM 372 CA GLU A 24 15.225 6.652 -7.269 1.00 53.45 C ATOM 373 C GLU A 24 14.884 5.239 -7.769 1.00 43.53 C ATOM 374 O GLU A 24 15.427 4.790 -8.783 1.00 54.20 O ATOM 375 CB GLU A 24 16.638 6.684 -6.680 1.00 10.14 C ATOM 376 CG GLU A 24 17.735 6.730 -7.734 1.00 63.53 C ATOM 377 CD GLU A 24 19.122 6.797 -7.133 1.00 74.30 C ATOM 378 OE1 GLU A 24 19.707 5.728 -6.854 1.00 0.14 O ATOM 379 OE2 GLU A 24 19.637 7.916 -6.936 1.00 63.23 O ATOM 0 H GLU A 24 13.711 7.959 -6.651 1.00 2.33 H new ATOM 0 HA GLU A 24 15.188 7.318 -8.131 1.00 53.45 H new ATOM 0 HB2 GLU A 24 16.733 7.554 -6.031 1.00 10.14 H new ATOM 0 HB3 GLU A 24 16.782 5.803 -6.055 1.00 10.14 H new ATOM 0 HG2 GLU A 24 17.661 5.846 -8.368 1.00 63.53 H new ATOM 0 HG3 GLU A 24 17.580 7.597 -8.376 1.00 63.53 H new ATOM 386 N SER A 25 13.992 4.545 -7.074 1.00 74.24 N ATOM 387 CA SER A 25 13.526 3.246 -7.506 1.00 23.23 C ATOM 388 C SER A 25 12.717 3.380 -8.797 1.00 33.20 C ATOM 389 O SER A 25 12.144 4.439 -9.071 1.00 62.13 O ATOM 390 CB SER A 25 12.680 2.627 -6.398 1.00 5.41 C ATOM 391 OG SER A 25 13.467 1.808 -5.549 1.00 60.42 O ATOM 0 H SER A 25 13.577 4.870 -6.201 1.00 74.24 H new ATOM 0 HA SER A 25 14.378 2.597 -7.709 1.00 23.23 H new ATOM 0 HB2 SER A 25 12.209 3.416 -5.812 1.00 5.41 H new ATOM 0 HB3 SER A 25 11.877 2.035 -6.837 1.00 5.41 H new ATOM 0 HG SER A 25 13.006 1.686 -4.693 1.00 60.42 H new ATOM 397 N LYS A 26 12.672 2.316 -9.583 1.00 52.30 N ATOM 398 CA LYS A 26 12.015 2.354 -10.883 1.00 74.04 C ATOM 399 C LYS A 26 10.503 2.487 -10.753 1.00 74.04 C ATOM 400 O LYS A 26 9.851 3.083 -11.612 1.00 31.21 O ATOM 401 CB LYS A 26 12.376 1.112 -11.698 1.00 11.40 C ATOM 402 CG LYS A 26 13.830 1.091 -12.139 1.00 1.51 C ATOM 403 CD LYS A 26 14.155 2.304 -12.993 1.00 65.15 C ATOM 404 CE LYS A 26 15.635 2.383 -13.316 1.00 54.52 C ATOM 405 NZ LYS A 26 15.947 3.551 -14.180 1.00 24.43 N ATOM 0 H LYS A 26 13.083 1.413 -9.344 1.00 52.30 H new ATOM 0 HA LYS A 26 12.375 3.239 -11.407 1.00 74.04 H new ATOM 0 HB2 LYS A 26 12.170 0.222 -11.103 1.00 11.40 H new ATOM 0 HB3 LYS A 26 11.735 1.063 -12.578 1.00 11.40 H new ATOM 0 HG2 LYS A 26 14.479 1.073 -11.264 1.00 1.51 H new ATOM 0 HG3 LYS A 26 14.030 0.180 -12.703 1.00 1.51 H new ATOM 0 HD2 LYS A 26 13.582 2.261 -13.919 1.00 65.15 H new ATOM 0 HD3 LYS A 26 13.848 3.210 -12.470 1.00 65.15 H new ATOM 0 HE2 LYS A 26 16.206 2.452 -12.390 1.00 54.52 H new ATOM 0 HE3 LYS A 26 15.948 1.466 -13.816 1.00 54.52 H new ATOM 0 HZ1 LYS A 26 16.967 3.572 -14.380 1.00 24.43 H new ATOM 0 HZ2 LYS A 26 15.421 3.472 -15.074 1.00 24.43 H new ATOM 0 HZ3 LYS A 26 15.671 4.427 -13.692 1.00 24.43 H new ATOM 419 N VAL A 27 9.940 1.950 -9.680 1.00 74.34 N ATOM 420 CA VAL A 27 8.501 2.026 -9.474 1.00 21.53 C ATOM 421 C VAL A 27 8.100 3.356 -8.840 1.00 33.30 C ATOM 422 O VAL A 27 6.927 3.720 -8.839 1.00 62.11 O ATOM 423 CB VAL A 27 7.980 0.866 -8.607 1.00 72.51 C ATOM 424 CG1 VAL A 27 8.356 -0.471 -9.227 1.00 11.10 C ATOM 425 CG2 VAL A 27 8.505 0.967 -7.182 1.00 44.31 C ATOM 0 H VAL A 27 10.452 1.462 -8.945 1.00 74.34 H new ATOM 0 HA VAL A 27 8.044 1.949 -10.461 1.00 21.53 H new ATOM 0 HB VAL A 27 6.893 0.935 -8.566 1.00 72.51 H new ATOM 0 HG11 VAL A 27 7.980 -1.281 -8.602 1.00 11.10 H new ATOM 0 HG12 VAL A 27 7.917 -0.547 -10.222 1.00 11.10 H new ATOM 0 HG13 VAL A 27 9.441 -0.545 -9.303 1.00 11.10 H new ATOM 0 HG21 VAL A 27 8.121 0.135 -6.593 1.00 44.31 H new ATOM 0 HG22 VAL A 27 9.594 0.932 -7.192 1.00 44.31 H new ATOM 0 HG23 VAL A 27 8.177 1.907 -6.739 1.00 44.31 H new ATOM 435 N ARG A 28 9.087 4.090 -8.331 1.00 51.44 N ATOM 436 CA ARG A 28 8.839 5.367 -7.665 1.00 52.41 C ATOM 437 C ARG A 28 8.124 6.343 -8.597 1.00 21.53 C ATOM 438 O ARG A 28 7.122 6.949 -8.223 1.00 12.04 O ATOM 439 CB ARG A 28 10.164 5.957 -7.146 1.00 74.14 C ATOM 440 CG ARG A 28 10.098 7.426 -6.727 1.00 55.32 C ATOM 441 CD ARG A 28 10.497 8.351 -7.870 1.00 64.04 C ATOM 442 NE ARG A 28 10.404 9.764 -7.511 1.00 64.43 N ATOM 443 CZ ARG A 28 11.082 10.731 -8.132 1.00 11.23 C ATOM 444 NH1 ARG A 28 11.892 10.431 -9.144 1.00 32.35 N ATOM 445 NH2 ARG A 28 10.950 11.995 -7.750 1.00 43.44 N ATOM 0 H ARG A 28 10.070 3.821 -8.367 1.00 51.44 H new ATOM 0 HA ARG A 28 8.182 5.194 -6.813 1.00 52.41 H new ATOM 0 HB2 ARG A 28 10.498 5.366 -6.293 1.00 74.14 H new ATOM 0 HB3 ARG A 28 10.921 5.850 -7.923 1.00 74.14 H new ATOM 0 HG2 ARG A 28 9.087 7.667 -6.399 1.00 55.32 H new ATOM 0 HG3 ARG A 28 10.758 7.593 -5.875 1.00 55.32 H new ATOM 0 HD2 ARG A 28 11.519 8.125 -8.175 1.00 64.04 H new ATOM 0 HD3 ARG A 28 9.856 8.156 -8.730 1.00 64.04 H new ATOM 0 HE ARG A 28 9.786 10.026 -6.743 1.00 64.43 H new ATOM 0 HH11 ARG A 28 11.995 9.462 -9.445 1.00 32.35 H new ATOM 0 HH12 ARG A 28 12.410 11.170 -9.619 1.00 32.35 H new ATOM 0 HH21 ARG A 28 10.327 12.232 -6.978 1.00 43.44 H new ATOM 0 HH22 ARG A 28 11.471 12.730 -8.229 1.00 43.44 H new ATOM 459 N ARG A 29 8.636 6.477 -9.816 1.00 73.24 N ATOM 460 CA ARG A 29 8.047 7.374 -10.800 1.00 63.42 C ATOM 461 C ARG A 29 6.627 6.942 -11.144 1.00 43.43 C ATOM 462 O ARG A 29 5.745 7.770 -11.350 1.00 52.44 O ATOM 463 CB ARG A 29 8.904 7.401 -12.065 1.00 72.25 C ATOM 464 CG ARG A 29 9.152 6.030 -12.675 1.00 13.43 C ATOM 465 CD ARG A 29 9.814 6.133 -14.037 1.00 21.40 C ATOM 466 NE ARG A 29 8.953 6.797 -15.016 1.00 53.44 N ATOM 467 CZ ARG A 29 8.420 6.186 -16.075 1.00 31.40 C ATOM 468 NH1 ARG A 29 8.582 4.877 -16.248 1.00 65.51 N ATOM 469 NH2 ARG A 29 7.712 6.879 -16.954 1.00 24.30 N ATOM 0 H ARG A 29 9.460 5.974 -10.145 1.00 73.24 H new ATOM 0 HA ARG A 29 8.009 8.375 -10.371 1.00 63.42 H new ATOM 0 HB2 ARG A 29 8.418 8.035 -12.807 1.00 72.25 H new ATOM 0 HB3 ARG A 29 9.864 7.862 -11.831 1.00 72.25 H new ATOM 0 HG2 ARG A 29 9.783 5.443 -12.007 1.00 13.43 H new ATOM 0 HG3 ARG A 29 8.206 5.497 -12.770 1.00 13.43 H new ATOM 0 HD2 ARG A 29 10.750 6.684 -13.944 1.00 21.40 H new ATOM 0 HD3 ARG A 29 10.066 5.134 -14.394 1.00 21.40 H new ATOM 0 HE ARG A 29 8.748 7.787 -14.880 1.00 53.44 H new ATOM 0 HH11 ARG A 29 9.116 4.335 -15.569 1.00 65.51 H new ATOM 0 HH12 ARG A 29 8.172 4.415 -17.060 1.00 65.51 H new ATOM 0 HH21 ARG A 29 7.574 7.881 -16.821 1.00 24.30 H new ATOM 0 HH22 ARG A 29 7.305 6.411 -17.764 1.00 24.30 H new ATOM 483 N LYS A 30 6.423 5.635 -11.181 1.00 70.30 N ATOM 484 CA LYS A 30 5.132 5.053 -11.521 1.00 20.12 C ATOM 485 C LYS A 30 4.092 5.382 -10.449 1.00 13.53 C ATOM 486 O LYS A 30 3.002 5.867 -10.747 1.00 75.33 O ATOM 487 CB LYS A 30 5.289 3.536 -11.665 1.00 33.50 C ATOM 488 CG LYS A 30 4.035 2.810 -12.122 1.00 14.41 C ATOM 489 CD LYS A 30 4.309 1.325 -12.309 1.00 0.24 C ATOM 490 CE LYS A 30 3.041 0.546 -12.622 1.00 21.43 C ATOM 491 NZ LYS A 30 2.051 0.634 -11.514 1.00 2.42 N ATOM 0 H LYS A 30 7.147 4.946 -10.976 1.00 70.30 H new ATOM 0 HA LYS A 30 4.785 5.475 -12.464 1.00 20.12 H new ATOM 0 HB2 LYS A 30 6.090 3.333 -12.376 1.00 33.50 H new ATOM 0 HB3 LYS A 30 5.602 3.124 -10.706 1.00 33.50 H new ATOM 0 HG2 LYS A 30 3.241 2.948 -11.388 1.00 14.41 H new ATOM 0 HG3 LYS A 30 3.681 3.240 -13.059 1.00 14.41 H new ATOM 0 HD2 LYS A 30 5.027 1.188 -13.117 1.00 0.24 H new ATOM 0 HD3 LYS A 30 4.767 0.924 -11.405 1.00 0.24 H new ATOM 0 HE2 LYS A 30 2.595 0.931 -13.539 1.00 21.43 H new ATOM 0 HE3 LYS A 30 3.292 -0.499 -12.803 1.00 21.43 H new ATOM 0 HZ1 LYS A 30 1.536 -0.266 -11.436 1.00 2.42 H new ATOM 0 HZ2 LYS A 30 2.546 0.828 -10.620 1.00 2.42 H new ATOM 0 HZ3 LYS A 30 1.378 1.402 -11.710 1.00 2.42 H new ATOM 505 N ILE A 31 4.453 5.130 -9.201 1.00 64.34 N ATOM 506 CA ILE A 31 3.560 5.364 -8.069 1.00 64.00 C ATOM 507 C ILE A 31 3.274 6.855 -7.880 1.00 43.43 C ATOM 508 O ILE A 31 2.132 7.251 -7.633 1.00 64.34 O ATOM 509 CB ILE A 31 4.163 4.788 -6.772 1.00 74.30 C ATOM 510 CG1 ILE A 31 4.457 3.296 -6.951 1.00 2.33 C ATOM 511 CG2 ILE A 31 3.223 5.014 -5.593 1.00 43.15 C ATOM 512 CD1 ILE A 31 5.258 2.694 -5.818 1.00 41.32 C ATOM 0 H ILE A 31 5.367 4.760 -8.941 1.00 64.34 H new ATOM 0 HA ILE A 31 2.621 4.856 -8.288 1.00 64.00 H new ATOM 0 HB ILE A 31 5.098 5.307 -6.560 1.00 74.30 H new ATOM 0 HG12 ILE A 31 3.514 2.757 -7.044 1.00 2.33 H new ATOM 0 HG13 ILE A 31 5.000 3.151 -7.885 1.00 2.33 H new ATOM 0 HG21 ILE A 31 3.668 4.600 -4.688 1.00 43.15 H new ATOM 0 HG22 ILE A 31 3.057 6.083 -5.459 1.00 43.15 H new ATOM 0 HG23 ILE A 31 2.271 4.521 -5.787 1.00 43.15 H new ATOM 0 HD11 ILE A 31 5.427 1.635 -6.014 1.00 41.32 H new ATOM 0 HD12 ILE A 31 6.217 3.206 -5.738 1.00 41.32 H new ATOM 0 HD13 ILE A 31 4.708 2.806 -4.884 1.00 41.32 H new ATOM 524 N MET A 32 4.302 7.686 -8.013 1.00 55.45 N ATOM 525 CA MET A 32 4.140 9.125 -7.825 1.00 51.11 C ATOM 526 C MET A 32 3.336 9.742 -8.964 1.00 1.33 C ATOM 527 O MET A 32 2.646 10.746 -8.774 1.00 64.34 O ATOM 528 CB MET A 32 5.494 9.824 -7.686 1.00 65.44 C ATOM 529 CG MET A 32 6.247 9.424 -6.427 1.00 61.30 C ATOM 530 SD MET A 32 7.748 10.394 -6.172 1.00 3.22 S ATOM 531 CE MET A 32 7.055 12.031 -5.953 1.00 3.23 C ATOM 0 H MET A 32 5.250 7.392 -8.248 1.00 55.45 H new ATOM 0 HA MET A 32 3.586 9.271 -6.898 1.00 51.11 H new ATOM 0 HB2 MET A 32 6.107 9.592 -8.557 1.00 65.44 H new ATOM 0 HB3 MET A 32 5.340 10.903 -7.682 1.00 65.44 H new ATOM 0 HG2 MET A 32 5.592 9.543 -5.564 1.00 61.30 H new ATOM 0 HG3 MET A 32 6.508 8.367 -6.486 1.00 61.30 H new ATOM 0 HE1 MET A 32 7.485 12.710 -6.690 1.00 3.23 H new ATOM 0 HE2 MET A 32 5.974 11.989 -6.085 1.00 3.23 H new ATOM 0 HE3 MET A 32 7.284 12.392 -4.950 1.00 3.23 H new ATOM 541 N ASP A 33 3.417 9.137 -10.145 1.00 31.51 N ATOM 542 CA ASP A 33 2.605 9.570 -11.281 1.00 3.23 C ATOM 543 C ASP A 33 1.134 9.274 -11.010 1.00 71.11 C ATOM 544 O ASP A 33 0.243 9.979 -11.486 1.00 62.01 O ATOM 545 CB ASP A 33 3.059 8.868 -12.564 1.00 45.01 C ATOM 546 CG ASP A 33 2.275 9.313 -13.783 1.00 3.00 C ATOM 547 OD1 ASP A 33 2.592 10.390 -14.336 1.00 42.45 O ATOM 548 OD2 ASP A 33 1.347 8.587 -14.202 1.00 65.51 O ATOM 0 H ASP A 33 4.033 8.349 -10.342 1.00 31.51 H new ATOM 0 HA ASP A 33 2.733 10.644 -11.413 1.00 3.23 H new ATOM 0 HB2 ASP A 33 4.119 9.066 -12.726 1.00 45.01 H new ATOM 0 HB3 ASP A 33 2.951 7.790 -12.441 1.00 45.01 H new ATOM 553 N MET A 34 0.896 8.244 -10.204 1.00 33.53 N ATOM 554 CA MET A 34 -0.458 7.843 -9.836 1.00 64.41 C ATOM 555 C MET A 34 -1.068 8.823 -8.837 1.00 10.22 C ATOM 556 O MET A 34 -2.282 8.836 -8.629 1.00 21.11 O ATOM 557 CB MET A 34 -0.454 6.431 -9.244 1.00 74.44 C ATOM 558 CG MET A 34 -0.039 5.350 -10.230 1.00 41.24 C ATOM 559 SD MET A 34 -1.072 5.313 -11.709 1.00 13.24 S ATOM 560 CE MET A 34 -2.693 5.033 -10.994 1.00 53.34 C ATOM 0 H MET A 34 1.629 7.668 -9.790 1.00 33.53 H new ATOM 0 HA MET A 34 -1.067 7.849 -10.740 1.00 64.41 H new ATOM 0 HB2 MET A 34 0.222 6.408 -8.389 1.00 74.44 H new ATOM 0 HB3 MET A 34 -1.451 6.203 -8.868 1.00 74.44 H new ATOM 0 HG2 MET A 34 0.999 5.511 -10.522 1.00 41.24 H new ATOM 0 HG3 MET A 34 -0.085 4.379 -9.737 1.00 41.24 H new ATOM 0 HE1 MET A 34 -3.387 4.723 -11.776 1.00 53.34 H new ATOM 0 HE2 MET A 34 -2.627 4.252 -10.237 1.00 53.34 H new ATOM 0 HE3 MET A 34 -3.052 5.954 -10.534 1.00 53.34 H new ATOM 570 N GLY A 35 -0.223 9.638 -8.216 1.00 63.43 N ATOM 571 CA GLY A 35 -0.712 10.650 -7.302 1.00 14.50 C ATOM 572 C GLY A 35 -0.282 10.407 -5.870 1.00 31.51 C ATOM 573 O GLY A 35 -0.384 11.298 -5.024 1.00 14.00 O ATOM 0 H GLY A 35 0.790 9.615 -8.330 1.00 63.43 H new ATOM 0 HA2 GLY A 35 -0.352 11.627 -7.623 1.00 14.50 H new ATOM 0 HA3 GLY A 35 -1.801 10.680 -7.349 1.00 14.50 H new ATOM 577 N ILE A 36 0.208 9.209 -5.598 1.00 10.11 N ATOM 578 CA ILE A 36 0.618 8.842 -4.251 1.00 20.33 C ATOM 579 C ILE A 36 1.985 9.431 -3.933 1.00 32.11 C ATOM 580 O ILE A 36 2.930 9.280 -4.707 1.00 44.40 O ATOM 581 CB ILE A 36 0.677 7.314 -4.080 1.00 21.35 C ATOM 582 CG1 ILE A 36 -0.628 6.681 -4.568 1.00 15.21 C ATOM 583 CG2 ILE A 36 0.933 6.950 -2.624 1.00 3.40 C ATOM 584 CD1 ILE A 36 -0.563 5.174 -4.713 1.00 3.33 C ATOM 0 H ILE A 36 0.332 8.472 -6.293 1.00 10.11 H new ATOM 0 HA ILE A 36 -0.126 9.244 -3.563 1.00 20.33 H new ATOM 0 HB ILE A 36 1.501 6.926 -4.680 1.00 21.35 H new ATOM 0 HG12 ILE A 36 -1.426 6.935 -3.871 1.00 15.21 H new ATOM 0 HG13 ILE A 36 -0.894 7.118 -5.531 1.00 15.21 H new ATOM 0 HG21 ILE A 36 0.972 5.866 -2.521 1.00 3.40 H new ATOM 0 HG22 ILE A 36 1.882 7.379 -2.303 1.00 3.40 H new ATOM 0 HG23 ILE A 36 0.128 7.345 -2.003 1.00 3.40 H new ATOM 0 HD11 ILE A 36 -1.525 4.800 -5.063 1.00 3.33 H new ATOM 0 HD12 ILE A 36 0.212 4.911 -5.433 1.00 3.33 H new ATOM 0 HD13 ILE A 36 -0.329 4.725 -3.748 1.00 3.33 H new ATOM 596 N VAL A 37 2.077 10.102 -2.797 1.00 60.05 N ATOM 597 CA VAL A 37 3.319 10.754 -2.396 1.00 61.03 C ATOM 598 C VAL A 37 3.600 10.581 -0.901 1.00 13.32 C ATOM 599 O VAL A 37 4.417 9.750 -0.508 1.00 23.51 O ATOM 600 CB VAL A 37 3.322 12.262 -2.763 1.00 25.32 C ATOM 601 CG1 VAL A 37 3.681 12.456 -4.230 1.00 63.45 C ATOM 602 CG2 VAL A 37 1.971 12.909 -2.467 1.00 3.12 C ATOM 0 H VAL A 37 1.309 10.211 -2.135 1.00 60.05 H new ATOM 0 HA VAL A 37 4.116 10.261 -2.953 1.00 61.03 H new ATOM 0 HB VAL A 37 4.076 12.749 -2.145 1.00 25.32 H new ATOM 0 HG11 VAL A 37 3.678 13.520 -4.468 1.00 63.45 H new ATOM 0 HG12 VAL A 37 4.673 12.045 -4.419 1.00 63.45 H new ATOM 0 HG13 VAL A 37 2.950 11.942 -4.854 1.00 63.45 H new ATOM 0 HG21 VAL A 37 2.007 13.965 -2.735 1.00 3.12 H new ATOM 0 HG22 VAL A 37 1.195 12.413 -3.049 1.00 3.12 H new ATOM 0 HG23 VAL A 37 1.746 12.812 -1.405 1.00 3.12 H new ATOM 612 N ARG A 38 2.919 11.352 -0.069 1.00 54.45 N ATOM 613 CA ARG A 38 3.161 11.330 1.364 1.00 33.34 C ATOM 614 C ARG A 38 1.866 11.656 2.091 1.00 23.11 C ATOM 615 O ARG A 38 1.231 12.672 1.812 1.00 44.12 O ATOM 616 CB ARG A 38 4.251 12.356 1.720 1.00 71.32 C ATOM 617 CG ARG A 38 5.021 12.068 3.007 1.00 25.12 C ATOM 618 CD ARG A 38 4.148 12.156 4.250 1.00 12.05 C ATOM 619 NE ARG A 38 3.438 13.432 4.340 1.00 11.32 N ATOM 620 CZ ARG A 38 2.723 13.810 5.399 1.00 61.40 C ATOM 621 NH1 ARG A 38 2.701 13.065 6.499 1.00 42.40 N ATOM 622 NH2 ARG A 38 2.045 14.948 5.367 1.00 54.14 N ATOM 0 H ARG A 38 2.191 12.003 -0.363 1.00 54.45 H new ATOM 0 HA ARG A 38 3.503 10.341 1.669 1.00 33.34 H new ATOM 0 HB2 ARG A 38 4.961 12.408 0.895 1.00 71.32 H new ATOM 0 HB3 ARG A 38 3.788 13.339 1.805 1.00 71.32 H new ATOM 0 HG2 ARG A 38 5.460 11.072 2.947 1.00 25.12 H new ATOM 0 HG3 ARG A 38 5.846 12.775 3.097 1.00 25.12 H new ATOM 0 HD2 ARG A 38 3.425 11.340 4.242 1.00 12.05 H new ATOM 0 HD3 ARG A 38 4.768 12.024 5.137 1.00 12.05 H new ATOM 0 HE ARG A 38 3.494 14.070 3.546 1.00 11.32 H new ATOM 0 HH11 ARG A 38 3.234 12.196 6.537 1.00 42.40 H new ATOM 0 HH12 ARG A 38 2.151 13.362 7.305 1.00 42.40 H new ATOM 0 HH21 ARG A 38 2.071 15.534 4.532 1.00 54.14 H new ATOM 0 HH22 ARG A 38 1.497 15.238 6.177 1.00 54.14 H new ATOM 636 N GLY A 39 1.468 10.779 2.998 1.00 61.21 N ATOM 637 CA GLY A 39 0.247 10.992 3.747 1.00 33.43 C ATOM 638 C GLY A 39 -0.959 10.422 3.037 1.00 75.33 C ATOM 639 O GLY A 39 -2.028 10.274 3.632 1.00 64.03 O ATOM 0 H GLY A 39 1.969 9.921 3.230 1.00 61.21 H new ATOM 0 HA2 GLY A 39 0.340 10.531 4.731 1.00 33.43 H new ATOM 0 HA3 GLY A 39 0.102 12.060 3.908 1.00 33.43 H new ATOM 643 N THR A 40 -0.789 10.100 1.763 1.00 5.24 N ATOM 644 CA THR A 40 -1.845 9.485 0.986 1.00 62.42 C ATOM 645 C THR A 40 -2.185 8.123 1.585 1.00 31.25 C ATOM 646 O THR A 40 -1.291 7.387 1.996 1.00 71.15 O ATOM 647 CB THR A 40 -1.411 9.303 -0.478 1.00 5.32 C ATOM 648 OG1 THR A 40 -0.520 10.369 -0.851 1.00 30.10 O ATOM 649 CG2 THR A 40 -2.615 9.305 -1.407 1.00 43.12 C ATOM 0 H THR A 40 0.077 10.257 1.247 1.00 5.24 H new ATOM 0 HA THR A 40 -2.720 10.135 1.012 1.00 62.42 H new ATOM 0 HB THR A 40 -0.904 8.343 -0.569 1.00 5.32 H new ATOM 0 HG1 THR A 40 -0.723 10.661 -1.764 1.00 30.10 H new ATOM 0 HG21 THR A 40 -2.281 9.175 -2.436 1.00 43.12 H new ATOM 0 HG22 THR A 40 -3.284 8.488 -1.137 1.00 43.12 H new ATOM 0 HG23 THR A 40 -3.144 10.253 -1.315 1.00 43.12 H new ATOM 657 N GLU A 41 -3.461 7.800 1.663 1.00 21.30 N ATOM 658 CA GLU A 41 -3.889 6.569 2.287 1.00 1.23 C ATOM 659 C GLU A 41 -4.715 5.728 1.334 1.00 34.53 C ATOM 660 O GLU A 41 -5.438 6.248 0.481 1.00 23.23 O ATOM 661 CB GLU A 41 -4.662 6.876 3.564 1.00 45.53 C ATOM 662 CG GLU A 41 -5.709 7.963 3.419 1.00 21.55 C ATOM 663 CD GLU A 41 -6.316 8.340 4.749 1.00 54.53 C ATOM 664 OE1 GLU A 41 -7.095 7.541 5.298 1.00 33.33 O ATOM 665 OE2 GLU A 41 -5.999 9.433 5.262 1.00 13.42 O ATOM 0 H GLU A 41 -4.220 8.377 1.300 1.00 21.30 H new ATOM 0 HA GLU A 41 -3.005 5.986 2.547 1.00 1.23 H new ATOM 0 HB2 GLU A 41 -5.149 5.963 3.907 1.00 45.53 H new ATOM 0 HB3 GLU A 41 -3.955 7.171 4.340 1.00 45.53 H new ATOM 0 HG2 GLU A 41 -5.257 8.844 2.963 1.00 21.55 H new ATOM 0 HG3 GLU A 41 -6.495 7.623 2.745 1.00 21.55 H new ATOM 672 N ILE A 42 -4.592 4.423 1.488 1.00 21.22 N ATOM 673 CA ILE A 42 -5.183 3.472 0.570 1.00 44.22 C ATOM 674 C ILE A 42 -5.838 2.332 1.347 1.00 31.05 C ATOM 675 O ILE A 42 -5.432 2.030 2.473 1.00 3.30 O ATOM 676 CB ILE A 42 -4.103 2.892 -0.371 1.00 31.41 C ATOM 677 CG1 ILE A 42 -3.288 4.013 -1.022 1.00 0.51 C ATOM 678 CG2 ILE A 42 -4.736 2.022 -1.443 1.00 73.24 C ATOM 679 CD1 ILE A 42 -2.116 3.519 -1.843 1.00 32.53 C ATOM 0 H ILE A 42 -4.077 3.993 2.256 1.00 21.22 H new ATOM 0 HA ILE A 42 -5.937 3.989 -0.024 1.00 44.22 H new ATOM 0 HB ILE A 42 -3.432 2.277 0.229 1.00 31.41 H new ATOM 0 HG12 ILE A 42 -3.945 4.603 -1.662 1.00 0.51 H new ATOM 0 HG13 ILE A 42 -2.919 4.680 -0.243 1.00 0.51 H new ATOM 0 HG21 ILE A 42 -3.958 1.624 -2.095 1.00 73.24 H new ATOM 0 HG22 ILE A 42 -5.273 1.198 -0.973 1.00 73.24 H new ATOM 0 HG23 ILE A 42 -5.432 2.619 -2.032 1.00 73.24 H new ATOM 0 HD11 ILE A 42 -1.588 4.370 -2.272 1.00 32.53 H new ATOM 0 HD12 ILE A 42 -1.437 2.955 -1.204 1.00 32.53 H new ATOM 0 HD13 ILE A 42 -2.479 2.876 -2.645 1.00 32.53 H new ATOM 691 N TYR A 43 -6.854 1.713 0.762 1.00 34.43 N ATOM 692 CA TYR A 43 -7.503 0.571 1.384 1.00 4.30 C ATOM 693 C TYR A 43 -6.978 -0.721 0.765 1.00 53.12 C ATOM 694 O TYR A 43 -6.795 -0.805 -0.452 1.00 65.54 O ATOM 695 CB TYR A 43 -9.024 0.662 1.224 1.00 20.52 C ATOM 696 CG TYR A 43 -9.789 -0.246 2.161 1.00 40.32 C ATOM 697 CD1 TYR A 43 -9.980 0.112 3.488 1.00 11.43 C ATOM 698 CD2 TYR A 43 -10.320 -1.453 1.724 1.00 14.31 C ATOM 699 CE1 TYR A 43 -10.675 -0.705 4.353 1.00 52.24 C ATOM 700 CE2 TYR A 43 -11.020 -2.277 2.588 1.00 24.30 C ATOM 701 CZ TYR A 43 -11.195 -1.895 3.900 1.00 42.42 C ATOM 702 OH TYR A 43 -11.893 -2.705 4.766 1.00 63.12 O ATOM 0 H TYR A 43 -7.245 1.983 -0.141 1.00 34.43 H new ATOM 0 HA TYR A 43 -7.273 0.573 2.450 1.00 4.30 H new ATOM 0 HB2 TYR A 43 -9.337 1.692 1.394 1.00 20.52 H new ATOM 0 HB3 TYR A 43 -9.288 0.414 0.196 1.00 20.52 H new ATOM 0 HD1 TYR A 43 -9.577 1.047 3.849 1.00 11.43 H new ATOM 0 HD2 TYR A 43 -10.185 -1.753 0.695 1.00 14.31 H new ATOM 0 HE1 TYR A 43 -10.811 -0.412 5.384 1.00 52.24 H new ATOM 0 HE2 TYR A 43 -11.426 -3.214 2.236 1.00 24.30 H new ATOM 0 HH TYR A 43 -11.266 -3.153 5.372 1.00 63.12 H new ATOM 712 N ILE A 44 -6.722 -1.715 1.603 1.00 23.31 N ATOM 713 CA ILE A 44 -6.209 -2.996 1.136 1.00 63.02 C ATOM 714 C ILE A 44 -7.355 -3.925 0.754 1.00 70.13 C ATOM 715 O ILE A 44 -8.015 -4.495 1.623 1.00 71.31 O ATOM 716 CB ILE A 44 -5.344 -3.690 2.212 1.00 63.44 C ATOM 717 CG1 ILE A 44 -4.242 -2.751 2.712 1.00 12.34 C ATOM 718 CG2 ILE A 44 -4.738 -4.976 1.662 1.00 71.34 C ATOM 719 CD1 ILE A 44 -3.252 -2.340 1.644 1.00 3.01 C ATOM 0 H ILE A 44 -6.861 -1.659 2.612 1.00 23.31 H new ATOM 0 HA ILE A 44 -5.589 -2.792 0.263 1.00 63.02 H new ATOM 0 HB ILE A 44 -5.987 -3.942 3.055 1.00 63.44 H new ATOM 0 HG12 ILE A 44 -4.703 -1.856 3.129 1.00 12.34 H new ATOM 0 HG13 ILE A 44 -3.703 -3.240 3.524 1.00 12.34 H new ATOM 0 HG21 ILE A 44 -4.132 -5.452 2.433 1.00 71.34 H new ATOM 0 HG22 ILE A 44 -5.536 -5.654 1.358 1.00 71.34 H new ATOM 0 HG23 ILE A 44 -4.112 -4.744 0.800 1.00 71.34 H new ATOM 0 HD11 ILE A 44 -2.504 -1.676 2.077 1.00 3.01 H new ATOM 0 HD12 ILE A 44 -2.761 -3.226 1.242 1.00 3.01 H new ATOM 0 HD13 ILE A 44 -3.777 -1.821 0.842 1.00 3.01 H new ATOM 731 N GLU A 45 -7.585 -4.065 -0.544 1.00 71.44 N ATOM 732 CA GLU A 45 -8.629 -4.944 -1.051 1.00 71.32 C ATOM 733 C GLU A 45 -8.234 -6.402 -0.862 1.00 22.25 C ATOM 734 O GLU A 45 -9.066 -7.247 -0.530 1.00 23.03 O ATOM 735 CB GLU A 45 -8.877 -4.665 -2.533 1.00 22.41 C ATOM 736 CG GLU A 45 -9.457 -3.290 -2.809 1.00 10.02 C ATOM 737 CD GLU A 45 -10.917 -3.181 -2.420 1.00 44.02 C ATOM 738 OE1 GLU A 45 -11.775 -3.595 -3.226 1.00 64.15 O ATOM 739 OE2 GLU A 45 -11.216 -2.662 -1.330 1.00 11.40 O ATOM 0 H GLU A 45 -7.059 -3.578 -1.269 1.00 71.44 H new ATOM 0 HA GLU A 45 -9.545 -4.751 -0.492 1.00 71.32 H new ATOM 0 HB2 GLU A 45 -7.937 -4.768 -3.075 1.00 22.41 H new ATOM 0 HB3 GLU A 45 -9.556 -5.421 -2.927 1.00 22.41 H new ATOM 0 HG2 GLU A 45 -8.883 -2.542 -2.262 1.00 10.02 H new ATOM 0 HG3 GLU A 45 -9.350 -3.061 -3.869 1.00 10.02 H new ATOM 746 N GLY A 46 -6.960 -6.690 -1.079 1.00 35.53 N ATOM 747 CA GLY A 46 -6.465 -8.042 -0.921 1.00 41.43 C ATOM 748 C GLY A 46 -5.191 -8.272 -1.703 1.00 44.55 C ATOM 749 O GLY A 46 -4.652 -7.343 -2.304 1.00 51.14 O ATOM 0 H GLY A 46 -6.257 -6.008 -1.363 1.00 35.53 H new ATOM 0 HA2 GLY A 46 -6.283 -8.241 0.135 1.00 41.43 H new ATOM 0 HA3 GLY A 46 -7.226 -8.748 -1.252 1.00 41.43 H new ATOM 753 N LYS A 47 -4.703 -9.504 -1.690 1.00 11.31 N ATOM 754 CA LYS A 47 -3.486 -9.854 -2.404 1.00 45.15 C ATOM 755 C LYS A 47 -3.737 -11.056 -3.302 1.00 73.53 C ATOM 756 O LYS A 47 -4.612 -11.880 -3.017 1.00 31.45 O ATOM 757 CB LYS A 47 -2.355 -10.172 -1.419 1.00 33.15 C ATOM 758 CG LYS A 47 -2.082 -9.059 -0.416 1.00 44.44 C ATOM 759 CD LYS A 47 -0.997 -9.447 0.577 1.00 41.42 C ATOM 760 CE LYS A 47 0.367 -9.552 -0.088 1.00 44.14 C ATOM 761 NZ LYS A 47 1.436 -9.921 0.880 1.00 10.24 N ATOM 0 H LYS A 47 -5.135 -10.281 -1.190 1.00 11.31 H new ATOM 0 HA LYS A 47 -3.188 -9.002 -3.016 1.00 45.15 H new ATOM 0 HB2 LYS A 47 -2.604 -11.084 -0.877 1.00 33.15 H new ATOM 0 HB3 LYS A 47 -1.443 -10.374 -1.981 1.00 33.15 H new ATOM 0 HG2 LYS A 47 -1.782 -8.156 -0.948 1.00 44.44 H new ATOM 0 HG3 LYS A 47 -3.000 -8.822 0.122 1.00 44.44 H new ATOM 0 HD2 LYS A 47 -0.955 -8.708 1.377 1.00 41.42 H new ATOM 0 HD3 LYS A 47 -1.251 -10.401 1.038 1.00 41.42 H new ATOM 0 HE2 LYS A 47 0.326 -10.297 -0.883 1.00 44.14 H new ATOM 0 HE3 LYS A 47 0.616 -8.600 -0.556 1.00 44.14 H new ATOM 0 HZ1 LYS A 47 2.186 -10.445 0.386 1.00 10.24 H new ATOM 0 HZ2 LYS A 47 1.836 -9.058 1.301 1.00 10.24 H new ATOM 0 HZ3 LYS A 47 1.034 -10.518 1.630 1.00 10.24 H new ATOM 775 N ALA A 48 -2.976 -11.146 -4.385 1.00 13.42 N ATOM 776 CA ALA A 48 -3.069 -12.274 -5.307 1.00 33.25 C ATOM 777 C ALA A 48 -2.629 -13.567 -4.616 1.00 62.24 C ATOM 778 O ALA A 48 -2.029 -13.516 -3.544 1.00 52.54 O ATOM 779 CB ALA A 48 -2.215 -12.005 -6.539 1.00 14.35 C ATOM 0 H ALA A 48 -2.282 -10.447 -4.649 1.00 13.42 H new ATOM 0 HA ALA A 48 -4.107 -12.393 -5.619 1.00 33.25 H new ATOM 0 HB1 ALA A 48 -2.288 -12.850 -7.224 1.00 14.35 H new ATOM 0 HB2 ALA A 48 -2.569 -11.102 -7.037 1.00 14.35 H new ATOM 0 HB3 ALA A 48 -1.176 -11.870 -6.239 1.00 14.35 H new ATOM 785 N PRO A 49 -2.924 -14.744 -5.206 1.00 33.35 N ATOM 786 CA PRO A 49 -2.534 -16.046 -4.635 1.00 30.12 C ATOM 787 C PRO A 49 -1.046 -16.124 -4.284 1.00 64.03 C ATOM 788 O PRO A 49 -0.662 -16.781 -3.320 1.00 1.23 O ATOM 789 CB PRO A 49 -2.874 -17.054 -5.747 1.00 30.41 C ATOM 790 CG PRO A 49 -3.173 -16.237 -6.959 1.00 22.11 C ATOM 791 CD PRO A 49 -3.682 -14.921 -6.453 1.00 24.24 C ATOM 0 HA PRO A 49 -3.053 -16.235 -3.695 1.00 30.12 H new ATOM 0 HB2 PRO A 49 -2.040 -17.732 -5.928 1.00 30.41 H new ATOM 0 HB3 PRO A 49 -3.730 -17.669 -5.469 1.00 30.41 H new ATOM 0 HG2 PRO A 49 -2.280 -16.102 -7.569 1.00 22.11 H new ATOM 0 HG3 PRO A 49 -3.916 -16.728 -7.587 1.00 22.11 H new ATOM 0 HD2 PRO A 49 -3.493 -14.114 -7.161 1.00 24.24 H new ATOM 0 HD3 PRO A 49 -4.757 -14.943 -6.275 1.00 24.24 H new ATOM 799 N MET A 50 -0.217 -15.436 -5.058 1.00 61.42 N ATOM 800 CA MET A 50 1.225 -15.438 -4.828 1.00 31.25 C ATOM 801 C MET A 50 1.628 -14.317 -3.874 1.00 63.22 C ATOM 802 O MET A 50 2.794 -14.194 -3.497 1.00 23.35 O ATOM 803 CB MET A 50 1.976 -15.257 -6.148 1.00 61.02 C ATOM 804 CG MET A 50 1.692 -16.335 -7.180 1.00 74.21 C ATOM 805 SD MET A 50 2.558 -16.039 -8.735 1.00 30.21 S ATOM 806 CE MET A 50 1.949 -17.405 -9.719 1.00 40.13 C ATOM 0 H MET A 50 -0.517 -14.869 -5.851 1.00 61.42 H new ATOM 0 HA MET A 50 1.486 -16.398 -4.383 1.00 31.25 H new ATOM 0 HB2 MET A 50 1.715 -14.287 -6.571 1.00 61.02 H new ATOM 0 HB3 MET A 50 3.047 -15.238 -5.944 1.00 61.02 H new ATOM 0 HG2 MET A 50 1.989 -17.305 -6.780 1.00 74.21 H new ATOM 0 HG3 MET A 50 0.619 -16.382 -7.367 1.00 74.21 H new ATOM 0 HE1 MET A 50 2.393 -17.363 -10.714 1.00 40.13 H new ATOM 0 HE2 MET A 50 2.218 -18.347 -9.241 1.00 40.13 H new ATOM 0 HE3 MET A 50 0.864 -17.338 -9.803 1.00 40.13 H new ATOM 816 N GLY A 51 0.658 -13.498 -3.491 1.00 43.42 N ATOM 817 CA GLY A 51 0.950 -12.316 -2.704 1.00 23.23 C ATOM 818 C GLY A 51 1.453 -11.186 -3.578 1.00 61.14 C ATOM 819 O GLY A 51 1.846 -10.130 -3.089 1.00 74.45 O ATOM 0 H GLY A 51 -0.329 -13.632 -3.712 1.00 43.42 H new ATOM 0 HA2 GLY A 51 0.052 -11.998 -2.175 1.00 23.23 H new ATOM 0 HA3 GLY A 51 1.698 -12.555 -1.948 1.00 23.23 H new ATOM 823 N ASP A 52 1.422 -11.424 -4.881 1.00 22.15 N ATOM 824 CA ASP A 52 1.929 -10.481 -5.865 1.00 40.23 C ATOM 825 C ASP A 52 1.109 -10.613 -7.144 1.00 52.34 C ATOM 826 O ASP A 52 1.027 -11.703 -7.715 1.00 54.32 O ATOM 827 CB ASP A 52 3.404 -10.784 -6.148 1.00 70.10 C ATOM 828 CG ASP A 52 4.109 -9.707 -6.955 1.00 55.42 C ATOM 829 OD1 ASP A 52 3.480 -8.685 -7.289 1.00 33.00 O ATOM 830 OD2 ASP A 52 5.321 -9.871 -7.225 1.00 5.30 O ATOM 0 H ASP A 52 1.043 -12.280 -5.286 1.00 22.15 H new ATOM 0 HA ASP A 52 1.846 -9.462 -5.486 1.00 40.23 H new ATOM 0 HB2 ASP A 52 3.926 -10.915 -5.200 1.00 70.10 H new ATOM 0 HB3 ASP A 52 3.474 -11.731 -6.684 1.00 70.10 H new ATOM 835 N PRO A 53 0.460 -9.530 -7.600 1.00 51.23 N ATOM 836 CA PRO A 53 0.518 -8.222 -6.952 1.00 54.45 C ATOM 837 C PRO A 53 -0.518 -8.051 -5.840 1.00 30.13 C ATOM 838 O PRO A 53 -1.174 -9.010 -5.420 1.00 64.22 O ATOM 839 CB PRO A 53 0.217 -7.277 -8.114 1.00 10.13 C ATOM 840 CG PRO A 53 -0.719 -8.039 -8.987 1.00 35.33 C ATOM 841 CD PRO A 53 -0.381 -9.497 -8.811 1.00 53.55 C ATOM 0 HA PRO A 53 1.472 -8.050 -6.454 1.00 54.45 H new ATOM 0 HB2 PRO A 53 -0.235 -6.349 -7.763 1.00 10.13 H new ATOM 0 HB3 PRO A 53 1.127 -7.006 -8.650 1.00 10.13 H new ATOM 0 HG2 PRO A 53 -1.754 -7.845 -8.707 1.00 35.33 H new ATOM 0 HG3 PRO A 53 -0.608 -7.739 -10.029 1.00 35.33 H new ATOM 0 HD2 PRO A 53 -1.279 -10.102 -8.689 1.00 53.55 H new ATOM 0 HD3 PRO A 53 0.152 -9.890 -9.677 1.00 53.55 H new ATOM 849 N ILE A 54 -0.646 -6.820 -5.366 1.00 72.03 N ATOM 850 CA ILE A 54 -1.595 -6.483 -4.315 1.00 65.30 C ATOM 851 C ILE A 54 -2.690 -5.577 -4.886 1.00 71.14 C ATOM 852 O ILE A 54 -2.430 -4.769 -5.780 1.00 53.12 O ATOM 853 CB ILE A 54 -0.903 -5.775 -3.112 1.00 34.25 C ATOM 854 CG1 ILE A 54 0.188 -6.658 -2.485 1.00 23.32 C ATOM 855 CG2 ILE A 54 -1.922 -5.393 -2.048 1.00 23.13 C ATOM 856 CD1 ILE A 54 1.509 -6.637 -3.226 1.00 23.31 C ATOM 0 H ILE A 54 -0.096 -6.028 -5.699 1.00 72.03 H new ATOM 0 HA ILE A 54 -2.030 -7.412 -3.947 1.00 65.30 H new ATOM 0 HB ILE A 54 -0.434 -4.871 -3.501 1.00 34.25 H new ATOM 0 HG12 ILE A 54 0.356 -6.334 -1.458 1.00 23.32 H new ATOM 0 HG13 ILE A 54 -0.174 -7.685 -2.440 1.00 23.32 H new ATOM 0 HG21 ILE A 54 -1.415 -4.900 -1.219 1.00 23.13 H new ATOM 0 HG22 ILE A 54 -2.659 -4.714 -2.477 1.00 23.13 H new ATOM 0 HG23 ILE A 54 -2.423 -6.290 -1.685 1.00 23.13 H new ATOM 0 HD11 ILE A 54 2.222 -7.286 -2.717 1.00 23.31 H new ATOM 0 HD12 ILE A 54 1.360 -6.991 -4.246 1.00 23.31 H new ATOM 0 HD13 ILE A 54 1.897 -5.619 -3.249 1.00 23.31 H new ATOM 868 N ALA A 55 -3.911 -5.725 -4.389 1.00 1.35 N ATOM 869 CA ALA A 55 -5.028 -4.915 -4.849 1.00 11.21 C ATOM 870 C ALA A 55 -5.284 -3.751 -3.893 1.00 32.22 C ATOM 871 O ALA A 55 -5.756 -3.946 -2.771 1.00 75.04 O ATOM 872 CB ALA A 55 -6.277 -5.770 -4.992 1.00 34.15 C ATOM 0 H ALA A 55 -4.152 -6.401 -3.665 1.00 1.35 H new ATOM 0 HA ALA A 55 -4.773 -4.503 -5.826 1.00 11.21 H new ATOM 0 HB1 ALA A 55 -7.105 -5.150 -5.337 1.00 34.15 H new ATOM 0 HB2 ALA A 55 -6.093 -6.565 -5.715 1.00 34.15 H new ATOM 0 HB3 ALA A 55 -6.530 -6.209 -4.027 1.00 34.15 H new ATOM 878 N LEU A 56 -4.949 -2.550 -4.339 1.00 1.31 N ATOM 879 CA LEU A 56 -5.160 -1.346 -3.554 1.00 61.11 C ATOM 880 C LEU A 56 -6.391 -0.616 -4.067 1.00 14.31 C ATOM 881 O LEU A 56 -6.666 -0.633 -5.258 1.00 62.13 O ATOM 882 CB LEU A 56 -3.956 -0.400 -3.653 1.00 41.52 C ATOM 883 CG LEU A 56 -2.626 -0.894 -3.070 1.00 64.24 C ATOM 884 CD1 LEU A 56 -2.757 -1.137 -1.579 1.00 62.12 C ATOM 885 CD2 LEU A 56 -2.103 -2.132 -3.780 1.00 43.25 C ATOM 0 H LEU A 56 -4.525 -2.384 -5.252 1.00 1.31 H new ATOM 0 HA LEU A 56 -5.293 -1.642 -2.513 1.00 61.11 H new ATOM 0 HB2 LEU A 56 -3.797 -0.165 -4.705 1.00 41.52 H new ATOM 0 HB3 LEU A 56 -4.218 0.533 -3.154 1.00 41.52 H new ATOM 0 HG LEU A 56 -1.891 -0.106 -3.234 1.00 64.24 H new ATOM 0 HD11 LEU A 56 -1.804 -1.487 -1.182 1.00 62.12 H new ATOM 0 HD12 LEU A 56 -3.038 -0.208 -1.082 1.00 62.12 H new ATOM 0 HD13 LEU A 56 -3.524 -1.891 -1.399 1.00 62.12 H new ATOM 0 HD21 LEU A 56 -1.160 -2.439 -3.328 1.00 43.25 H new ATOM 0 HD22 LEU A 56 -2.830 -2.939 -3.687 1.00 43.25 H new ATOM 0 HD23 LEU A 56 -1.944 -1.907 -4.834 1.00 43.25 H new ATOM 897 N ARG A 57 -7.125 0.027 -3.183 1.00 62.11 N ATOM 898 CA ARG A 57 -8.296 0.783 -3.605 1.00 70.34 C ATOM 899 C ARG A 57 -8.111 2.264 -3.301 1.00 10.12 C ATOM 900 O ARG A 57 -8.037 2.671 -2.139 1.00 40.41 O ATOM 901 CB ARG A 57 -9.558 0.250 -2.929 1.00 51.24 C ATOM 902 CG ARG A 57 -10.847 0.659 -3.629 1.00 22.31 C ATOM 903 CD ARG A 57 -12.057 -0.001 -2.991 1.00 34.12 C ATOM 904 NE ARG A 57 -13.287 0.222 -3.752 1.00 42.40 N ATOM 905 CZ ARG A 57 -14.197 -0.731 -3.973 1.00 24.35 C ATOM 906 NH1 ARG A 57 -13.968 -1.978 -3.575 1.00 34.01 N ATOM 907 NH2 ARG A 57 -15.322 -0.446 -4.617 1.00 54.35 N ATOM 0 H ARG A 57 -6.939 0.045 -2.180 1.00 62.11 H new ATOM 0 HA ARG A 57 -8.411 0.662 -4.682 1.00 70.34 H new ATOM 0 HB2 ARG A 57 -9.506 -0.838 -2.889 1.00 51.24 H new ATOM 0 HB3 ARG A 57 -9.586 0.606 -1.899 1.00 51.24 H new ATOM 0 HG2 ARG A 57 -10.957 1.743 -3.587 1.00 22.31 H new ATOM 0 HG3 ARG A 57 -10.794 0.384 -4.682 1.00 22.31 H new ATOM 0 HD2 ARG A 57 -11.878 -1.073 -2.904 1.00 34.12 H new ATOM 0 HD3 ARG A 57 -12.185 0.384 -1.979 1.00 34.12 H new ATOM 0 HE ARG A 57 -13.458 1.152 -4.133 1.00 42.40 H new ATOM 0 HH11 ARG A 57 -13.096 -2.210 -3.100 1.00 34.01 H new ATOM 0 HH12 ARG A 57 -14.664 -2.704 -3.745 1.00 34.01 H new ATOM 0 HH21 ARG A 57 -15.495 0.504 -4.946 1.00 54.35 H new ATOM 0 HH22 ARG A 57 -16.014 -1.177 -4.783 1.00 54.35 H new ATOM 921 N LEU A 58 -8.035 3.061 -4.358 1.00 45.02 N ATOM 922 CA LEU A 58 -7.815 4.496 -4.237 1.00 31.34 C ATOM 923 C LEU A 58 -8.502 5.199 -5.397 1.00 30.25 C ATOM 924 O LEU A 58 -8.763 4.570 -6.423 1.00 71.01 O ATOM 925 CB LEU A 58 -6.309 4.803 -4.215 1.00 60.04 C ATOM 926 CG LEU A 58 -5.924 6.287 -4.119 1.00 42.21 C ATOM 927 CD1 LEU A 58 -4.754 6.476 -3.168 1.00 42.32 C ATOM 928 CD2 LEU A 58 -5.567 6.846 -5.491 1.00 52.04 C ATOM 0 H LEU A 58 -8.124 2.733 -5.320 1.00 45.02 H new ATOM 0 HA LEU A 58 -8.239 4.859 -3.301 1.00 31.34 H new ATOM 0 HB2 LEU A 58 -5.864 4.278 -3.370 1.00 60.04 H new ATOM 0 HB3 LEU A 58 -5.861 4.390 -5.119 1.00 60.04 H new ATOM 0 HG LEU A 58 -6.787 6.831 -3.733 1.00 42.21 H new ATOM 0 HD11 LEU A 58 -4.496 7.534 -3.114 1.00 42.32 H new ATOM 0 HD12 LEU A 58 -5.030 6.118 -2.176 1.00 42.32 H new ATOM 0 HD13 LEU A 58 -3.895 5.912 -3.531 1.00 42.32 H new ATOM 0 HD21 LEU A 58 -5.298 7.898 -5.397 1.00 52.04 H new ATOM 0 HD22 LEU A 58 -4.723 6.291 -5.902 1.00 52.04 H new ATOM 0 HD23 LEU A 58 -6.424 6.749 -6.158 1.00 52.04 H new ATOM 940 N ARG A 59 -8.837 6.482 -5.212 1.00 11.05 N ATOM 941 CA ARG A 59 -9.539 7.282 -6.232 1.00 13.11 C ATOM 942 C ARG A 59 -11.016 6.877 -6.306 1.00 70.15 C ATOM 943 O ARG A 59 -11.868 7.644 -6.755 1.00 55.03 O ATOM 944 CB ARG A 59 -8.858 7.134 -7.604 1.00 12.22 C ATOM 945 CG ARG A 59 -9.440 8.005 -8.707 1.00 44.02 C ATOM 946 CD ARG A 59 -8.720 7.759 -10.024 1.00 74.21 C ATOM 947 NE ARG A 59 -9.225 8.595 -11.109 1.00 44.21 N ATOM 948 CZ ARG A 59 -8.771 8.534 -12.360 1.00 34.34 C ATOM 949 NH1 ARG A 59 -7.860 7.624 -12.693 1.00 61.13 N ATOM 950 NH2 ARG A 59 -9.240 9.365 -13.281 1.00 65.44 N ATOM 0 H ARG A 59 -8.631 6.996 -4.355 1.00 11.05 H new ATOM 0 HA ARG A 59 -9.487 8.332 -5.944 1.00 13.11 H new ATOM 0 HB2 ARG A 59 -7.800 7.371 -7.495 1.00 12.22 H new ATOM 0 HB3 ARG A 59 -8.921 6.091 -7.914 1.00 12.22 H new ATOM 0 HG2 ARG A 59 -10.503 7.792 -8.823 1.00 44.02 H new ATOM 0 HG3 ARG A 59 -9.354 9.056 -8.431 1.00 44.02 H new ATOM 0 HD2 ARG A 59 -7.655 7.948 -9.891 1.00 74.21 H new ATOM 0 HD3 ARG A 59 -8.826 6.710 -10.300 1.00 74.21 H new ATOM 0 HE ARG A 59 -9.966 9.263 -10.898 1.00 44.21 H new ATOM 0 HH11 ARG A 59 -7.509 6.973 -11.991 1.00 61.13 H new ATOM 0 HH12 ARG A 59 -7.512 7.577 -13.651 1.00 61.13 H new ATOM 0 HH21 ARG A 59 -9.950 10.053 -13.032 1.00 65.44 H new ATOM 0 HH22 ARG A 59 -8.890 9.316 -14.238 1.00 65.44 H new ATOM 964 N GLY A 60 -11.305 5.670 -5.843 1.00 51.22 N ATOM 965 CA GLY A 60 -12.661 5.172 -5.814 1.00 73.41 C ATOM 966 C GLY A 60 -12.710 3.677 -6.038 1.00 4.33 C ATOM 967 O GLY A 60 -13.446 2.957 -5.363 1.00 61.30 O ATOM 0 H GLY A 60 -10.609 5.018 -5.481 1.00 51.22 H new ATOM 0 HA2 GLY A 60 -13.117 5.412 -4.853 1.00 73.41 H new ATOM 0 HA3 GLY A 60 -13.250 5.675 -6.581 1.00 73.41 H new ATOM 971 N TYR A 61 -11.891 3.205 -6.965 1.00 25.34 N ATOM 972 CA TYR A 61 -11.906 1.804 -7.353 1.00 12.43 C ATOM 973 C TYR A 61 -10.584 1.128 -7.024 1.00 43.33 C ATOM 974 O TYR A 61 -9.602 1.785 -6.674 1.00 15.13 O ATOM 975 CB TYR A 61 -12.220 1.658 -8.846 1.00 33.10 C ATOM 976 CG TYR A 61 -11.367 2.527 -9.749 1.00 73.42 C ATOM 977 CD1 TYR A 61 -11.710 3.853 -10.001 1.00 70.20 C ATOM 978 CD2 TYR A 61 -10.225 2.019 -10.352 1.00 71.10 C ATOM 979 CE1 TYR A 61 -10.932 4.647 -10.822 1.00 64.43 C ATOM 980 CE2 TYR A 61 -9.444 2.808 -11.172 1.00 41.43 C ATOM 981 CZ TYR A 61 -9.801 4.118 -11.407 1.00 0.14 C ATOM 982 OH TYR A 61 -9.021 4.904 -12.223 1.00 13.34 O ATOM 0 H TYR A 61 -11.206 3.773 -7.463 1.00 25.34 H new ATOM 0 HA TYR A 61 -12.692 1.310 -6.781 1.00 12.43 H new ATOM 0 HB2 TYR A 61 -12.087 0.615 -9.133 1.00 33.10 H new ATOM 0 HB3 TYR A 61 -13.269 1.903 -9.011 1.00 33.10 H new ATOM 0 HD1 TYR A 61 -12.598 4.267 -9.548 1.00 70.20 H new ATOM 0 HD2 TYR A 61 -9.943 0.991 -10.177 1.00 71.10 H new ATOM 0 HE1 TYR A 61 -11.208 5.675 -11.004 1.00 64.43 H new ATOM 0 HE2 TYR A 61 -8.555 2.399 -11.629 1.00 41.43 H new ATOM 0 HH TYR A 61 -8.262 4.380 -12.554 1.00 13.34 H new ATOM 992 N SER A 62 -10.582 -0.185 -7.120 1.00 30.53 N ATOM 993 CA SER A 62 -9.412 -0.978 -6.827 1.00 64.35 C ATOM 994 C SER A 62 -8.496 -1.099 -8.045 1.00 44.32 C ATOM 995 O SER A 62 -8.963 -1.265 -9.175 1.00 11.12 O ATOM 996 CB SER A 62 -9.872 -2.356 -6.375 1.00 55.42 C ATOM 997 OG SER A 62 -11.073 -2.261 -5.622 1.00 63.25 O ATOM 0 H SER A 62 -11.395 -0.732 -7.404 1.00 30.53 H new ATOM 0 HA SER A 62 -8.837 -0.490 -6.040 1.00 64.35 H new ATOM 0 HB2 SER A 62 -10.031 -2.995 -7.244 1.00 55.42 H new ATOM 0 HB3 SER A 62 -9.095 -2.825 -5.772 1.00 55.42 H new ATOM 0 HG SER A 62 -11.440 -3.158 -5.477 1.00 63.25 H new ATOM 1003 N LEU A 63 -7.200 -1.003 -7.799 1.00 13.44 N ATOM 1004 CA LEU A 63 -6.182 -1.186 -8.823 1.00 44.04 C ATOM 1005 C LEU A 63 -5.077 -2.082 -8.280 1.00 52.54 C ATOM 1006 O LEU A 63 -4.915 -2.206 -7.066 1.00 43.41 O ATOM 1007 CB LEU A 63 -5.595 0.163 -9.255 1.00 42.03 C ATOM 1008 CG LEU A 63 -6.523 1.050 -10.088 1.00 60.43 C ATOM 1009 CD1 LEU A 63 -5.872 2.400 -10.352 1.00 42.42 C ATOM 1010 CD2 LEU A 63 -6.876 0.364 -11.403 1.00 41.43 C ATOM 0 H LEU A 63 -6.821 -0.794 -6.876 1.00 13.44 H new ATOM 0 HA LEU A 63 -6.640 -1.653 -9.695 1.00 44.04 H new ATOM 0 HB2 LEU A 63 -5.300 0.714 -8.362 1.00 42.03 H new ATOM 0 HB3 LEU A 63 -4.687 -0.023 -9.829 1.00 42.03 H new ATOM 0 HG LEU A 63 -7.442 1.213 -9.525 1.00 60.43 H new ATOM 0 HD11 LEU A 63 -6.545 3.019 -10.946 1.00 42.42 H new ATOM 0 HD12 LEU A 63 -5.665 2.896 -9.404 1.00 42.42 H new ATOM 0 HD13 LEU A 63 -4.939 2.254 -10.896 1.00 42.42 H new ATOM 0 HD21 LEU A 63 -7.537 1.008 -11.984 1.00 41.43 H new ATOM 0 HD22 LEU A 63 -5.965 0.173 -11.970 1.00 41.43 H new ATOM 0 HD23 LEU A 63 -7.379 -0.581 -11.197 1.00 41.43 H new ATOM 1022 N SER A 64 -4.313 -2.700 -9.159 1.00 52.00 N ATOM 1023 CA SER A 64 -3.277 -3.608 -8.731 1.00 31.34 C ATOM 1024 C SER A 64 -1.907 -2.945 -8.776 1.00 14.15 C ATOM 1025 O SER A 64 -1.592 -2.199 -9.704 1.00 64.01 O ATOM 1026 CB SER A 64 -3.292 -4.848 -9.611 1.00 53.55 C ATOM 1027 OG SER A 64 -4.275 -5.770 -9.173 1.00 42.53 O ATOM 0 H SER A 64 -4.392 -2.588 -10.170 1.00 52.00 H new ATOM 0 HA SER A 64 -3.473 -3.893 -7.697 1.00 31.34 H new ATOM 0 HB2 SER A 64 -3.491 -4.563 -10.644 1.00 53.55 H new ATOM 0 HB3 SER A 64 -2.311 -5.322 -9.594 1.00 53.55 H new ATOM 0 HG SER A 64 -4.267 -6.558 -9.755 1.00 42.53 H new ATOM 1033 N LEU A 65 -1.118 -3.209 -7.753 1.00 21.31 N ATOM 1034 CA LEU A 65 0.260 -2.747 -7.692 1.00 25.42 C ATOM 1035 C LEU A 65 1.164 -3.932 -7.397 1.00 25.41 C ATOM 1036 O LEU A 65 0.856 -4.746 -6.524 1.00 41.52 O ATOM 1037 CB LEU A 65 0.434 -1.673 -6.613 1.00 3.55 C ATOM 1038 CG LEU A 65 -0.276 -0.343 -6.881 1.00 13.32 C ATOM 1039 CD1 LEU A 65 -0.093 0.602 -5.704 1.00 34.33 C ATOM 1040 CD2 LEU A 65 0.247 0.295 -8.159 1.00 52.01 C ATOM 0 H LEU A 65 -1.412 -3.750 -6.939 1.00 21.31 H new ATOM 0 HA LEU A 65 0.527 -2.303 -8.651 1.00 25.42 H new ATOM 0 HB2 LEU A 65 0.072 -2.073 -5.666 1.00 3.55 H new ATOM 0 HB3 LEU A 65 1.499 -1.477 -6.490 1.00 3.55 H new ATOM 0 HG LEU A 65 -1.341 -0.541 -7.006 1.00 13.32 H new ATOM 0 HD11 LEU A 65 -0.603 1.543 -5.910 1.00 34.33 H new ATOM 0 HD12 LEU A 65 -0.514 0.150 -4.806 1.00 34.33 H new ATOM 0 HD13 LEU A 65 0.969 0.792 -5.551 1.00 34.33 H new ATOM 0 HD21 LEU A 65 -0.270 1.239 -8.332 1.00 52.01 H new ATOM 0 HD22 LEU A 65 1.317 0.479 -8.062 1.00 52.01 H new ATOM 0 HD23 LEU A 65 0.069 -0.376 -9.000 1.00 52.01 H new ATOM 1052 N ARG A 66 2.264 -4.036 -8.125 1.00 71.04 N ATOM 1053 CA ARG A 66 3.172 -5.167 -7.980 1.00 54.14 C ATOM 1054 C ARG A 66 3.807 -5.172 -6.596 1.00 2.32 C ATOM 1055 O ARG A 66 3.942 -4.122 -5.964 1.00 13.25 O ATOM 1056 CB ARG A 66 4.264 -5.113 -9.051 1.00 54.51 C ATOM 1057 CG ARG A 66 3.741 -5.273 -10.470 1.00 13.13 C ATOM 1058 CD ARG A 66 3.100 -6.636 -10.678 1.00 1.24 C ATOM 1059 NE ARG A 66 4.032 -7.730 -10.393 1.00 50.31 N ATOM 1060 CZ ARG A 66 3.741 -9.021 -10.552 1.00 11.54 C ATOM 1061 NH1 ARG A 66 2.560 -9.392 -11.042 1.00 21.44 N ATOM 1062 NH2 ARG A 66 4.636 -9.945 -10.232 1.00 44.03 N ATOM 0 H ARG A 66 2.552 -3.351 -8.824 1.00 71.04 H new ATOM 0 HA ARG A 66 2.596 -6.084 -8.104 1.00 54.14 H new ATOM 0 HB2 ARG A 66 4.790 -4.161 -8.973 1.00 54.51 H new ATOM 0 HB3 ARG A 66 4.994 -5.898 -8.852 1.00 54.51 H new ATOM 0 HG2 ARG A 66 3.011 -4.491 -10.680 1.00 13.13 H new ATOM 0 HG3 ARG A 66 4.560 -5.143 -11.177 1.00 13.13 H new ATOM 0 HD2 ARG A 66 2.226 -6.728 -10.034 1.00 1.24 H new ATOM 0 HD3 ARG A 66 2.748 -6.718 -11.706 1.00 1.24 H new ATOM 0 HE ARG A 66 4.962 -7.488 -10.051 1.00 50.31 H new ATOM 0 HH11 ARG A 66 1.870 -8.686 -11.299 1.00 21.44 H new ATOM 0 HH12 ARG A 66 2.345 -10.382 -11.161 1.00 21.44 H new ATOM 0 HH21 ARG A 66 5.546 -9.668 -9.865 1.00 44.03 H new ATOM 0 HH22 ARG A 66 4.414 -10.933 -10.353 1.00 44.03 H new ATOM 1076 N LYS A 67 4.196 -6.351 -6.125 1.00 64.21 N ATOM 1077 CA LYS A 67 4.854 -6.474 -4.829 1.00 31.35 C ATOM 1078 C LYS A 67 6.103 -5.607 -4.790 1.00 13.40 C ATOM 1079 O LYS A 67 6.459 -5.066 -3.749 1.00 14.41 O ATOM 1080 CB LYS A 67 5.248 -7.921 -4.551 1.00 51.03 C ATOM 1081 CG LYS A 67 5.537 -8.200 -3.089 1.00 23.42 C ATOM 1082 CD LYS A 67 6.582 -9.293 -2.896 1.00 11.12 C ATOM 1083 CE LYS A 67 6.257 -10.573 -3.655 1.00 65.31 C ATOM 1084 NZ LYS A 67 6.807 -10.558 -5.039 1.00 13.21 N ATOM 0 H LYS A 67 4.068 -7.234 -6.620 1.00 64.21 H new ATOM 0 HA LYS A 67 4.149 -6.144 -4.066 1.00 31.35 H new ATOM 0 HB2 LYS A 67 4.446 -8.578 -4.886 1.00 51.03 H new ATOM 0 HB3 LYS A 67 6.130 -8.169 -5.141 1.00 51.03 H new ATOM 0 HG2 LYS A 67 5.882 -7.284 -2.609 1.00 23.42 H new ATOM 0 HG3 LYS A 67 4.614 -8.493 -2.589 1.00 23.42 H new ATOM 0 HD2 LYS A 67 7.553 -8.921 -3.223 1.00 11.12 H new ATOM 0 HD3 LYS A 67 6.669 -9.520 -1.834 1.00 11.12 H new ATOM 0 HE2 LYS A 67 6.662 -11.428 -3.114 1.00 65.31 H new ATOM 0 HE3 LYS A 67 5.176 -10.705 -3.696 1.00 65.31 H new ATOM 0 HZ1 LYS A 67 7.184 -11.499 -5.273 1.00 13.21 H new ATOM 0 HZ2 LYS A 67 6.052 -10.311 -5.710 1.00 13.21 H new ATOM 0 HZ3 LYS A 67 7.570 -9.854 -5.102 1.00 13.21 H new ATOM 1098 N SER A 68 6.764 -5.488 -5.937 1.00 35.12 N ATOM 1099 CA SER A 68 7.937 -4.636 -6.074 1.00 11.42 C ATOM 1100 C SER A 68 7.602 -3.190 -5.702 1.00 2.45 C ATOM 1101 O SER A 68 8.331 -2.548 -4.946 1.00 32.53 O ATOM 1102 CB SER A 68 8.460 -4.712 -7.509 1.00 43.21 C ATOM 1103 OG SER A 68 8.664 -6.063 -7.897 1.00 2.30 O ATOM 0 H SER A 68 6.502 -5.977 -6.793 1.00 35.12 H new ATOM 0 HA SER A 68 8.711 -4.988 -5.392 1.00 11.42 H new ATOM 0 HB2 SER A 68 7.750 -4.237 -8.186 1.00 43.21 H new ATOM 0 HB3 SER A 68 9.396 -4.160 -7.590 1.00 43.21 H new ATOM 0 HG SER A 68 8.997 -6.092 -8.818 1.00 2.30 H new ATOM 1109 N GLU A 69 6.477 -2.702 -6.214 1.00 51.40 N ATOM 1110 CA GLU A 69 6.006 -1.355 -5.911 1.00 32.14 C ATOM 1111 C GLU A 69 5.629 -1.258 -4.440 1.00 4.30 C ATOM 1112 O GLU A 69 5.995 -0.310 -3.750 1.00 21.42 O ATOM 1113 CB GLU A 69 4.792 -1.012 -6.783 1.00 5.51 C ATOM 1114 CG GLU A 69 5.034 -1.202 -8.272 1.00 40.11 C ATOM 1115 CD GLU A 69 3.804 -0.919 -9.109 1.00 73.23 C ATOM 1116 OE1 GLU A 69 3.509 0.267 -9.361 1.00 4.42 O ATOM 1117 OE2 GLU A 69 3.132 -1.883 -9.530 1.00 61.45 O ATOM 0 H GLU A 69 5.870 -3.224 -6.846 1.00 51.40 H new ATOM 0 HA GLU A 69 6.806 -0.645 -6.123 1.00 32.14 H new ATOM 0 HB2 GLU A 69 3.950 -1.634 -6.479 1.00 5.51 H new ATOM 0 HB3 GLU A 69 4.506 0.024 -6.600 1.00 5.51 H new ATOM 0 HG2 GLU A 69 5.843 -0.545 -8.590 1.00 40.11 H new ATOM 0 HG3 GLU A 69 5.364 -2.225 -8.454 1.00 40.11 H new ATOM 1124 N ALA A 70 4.918 -2.274 -3.964 1.00 62.12 N ATOM 1125 CA ALA A 70 4.479 -2.338 -2.577 1.00 4.32 C ATOM 1126 C ALA A 70 5.665 -2.432 -1.614 1.00 2.22 C ATOM 1127 O ALA A 70 5.546 -2.113 -0.435 1.00 32.55 O ATOM 1128 CB ALA A 70 3.544 -3.521 -2.380 1.00 2.34 C ATOM 0 H ALA A 70 4.631 -3.074 -4.528 1.00 62.12 H new ATOM 0 HA ALA A 70 3.944 -1.415 -2.352 1.00 4.32 H new ATOM 0 HB1 ALA A 70 3.221 -3.560 -1.340 1.00 2.34 H new ATOM 0 HB2 ALA A 70 2.673 -3.408 -3.026 1.00 2.34 H new ATOM 0 HB3 ALA A 70 4.066 -4.444 -2.633 1.00 2.34 H new ATOM 1134 N LYS A 71 6.797 -2.892 -2.121 1.00 70.34 N ATOM 1135 CA LYS A 71 7.999 -3.029 -1.310 1.00 35.21 C ATOM 1136 C LYS A 71 8.717 -1.687 -1.182 1.00 45.24 C ATOM 1137 O LYS A 71 9.454 -1.448 -0.225 1.00 72.23 O ATOM 1138 CB LYS A 71 8.933 -4.069 -1.936 1.00 44.04 C ATOM 1139 CG LYS A 71 10.141 -4.415 -1.082 1.00 74.23 C ATOM 1140 CD LYS A 71 11.084 -5.351 -1.814 1.00 44.43 C ATOM 1141 CE LYS A 71 12.249 -5.767 -0.934 1.00 11.22 C ATOM 1142 NZ LYS A 71 13.238 -6.587 -1.679 1.00 72.03 N ATOM 0 H LYS A 71 6.910 -3.178 -3.093 1.00 70.34 H new ATOM 0 HA LYS A 71 7.711 -3.361 -0.313 1.00 35.21 H new ATOM 0 HB2 LYS A 71 8.366 -4.980 -2.130 1.00 44.04 H new ATOM 0 HB3 LYS A 71 9.278 -3.697 -2.901 1.00 44.04 H new ATOM 0 HG2 LYS A 71 10.670 -3.502 -0.810 1.00 74.23 H new ATOM 0 HG3 LYS A 71 9.811 -4.881 -0.153 1.00 74.23 H new ATOM 0 HD2 LYS A 71 10.539 -6.237 -2.140 1.00 44.43 H new ATOM 0 HD3 LYS A 71 11.461 -4.861 -2.711 1.00 44.43 H new ATOM 0 HE2 LYS A 71 12.739 -4.879 -0.536 1.00 11.22 H new ATOM 0 HE3 LYS A 71 11.876 -6.334 -0.081 1.00 11.22 H new ATOM 0 HZ1 LYS A 71 14.018 -6.851 -1.044 1.00 72.03 H new ATOM 0 HZ2 LYS A 71 12.776 -7.447 -2.037 1.00 72.03 H new ATOM 0 HZ3 LYS A 71 13.613 -6.037 -2.478 1.00 72.03 H new ATOM 1156 N ASP A 72 8.489 -0.810 -2.151 1.00 43.43 N ATOM 1157 CA ASP A 72 9.110 0.507 -2.154 1.00 54.43 C ATOM 1158 C ASP A 72 8.176 1.542 -1.536 1.00 62.03 C ATOM 1159 O ASP A 72 8.402 2.751 -1.639 1.00 41.12 O ATOM 1160 CB ASP A 72 9.505 0.912 -3.580 1.00 35.54 C ATOM 1161 CG ASP A 72 10.783 0.236 -4.049 1.00 32.40 C ATOM 1162 OD1 ASP A 72 11.643 -0.084 -3.201 1.00 65.12 O ATOM 1163 OD2 ASP A 72 10.933 0.012 -5.270 1.00 10.41 O ATOM 0 H ASP A 72 7.877 -0.988 -2.947 1.00 43.43 H new ATOM 0 HA ASP A 72 10.016 0.463 -1.549 1.00 54.43 H new ATOM 0 HB2 ASP A 72 8.694 0.660 -4.263 1.00 35.54 H new ATOM 0 HB3 ASP A 72 9.634 1.993 -3.624 1.00 35.54 H new ATOM 1168 N ILE A 73 7.127 1.053 -0.883 1.00 65.23 N ATOM 1169 CA ILE A 73 6.188 1.908 -0.172 1.00 43.11 C ATOM 1170 C ILE A 73 6.138 1.505 1.296 1.00 60.23 C ATOM 1171 O ILE A 73 5.799 0.366 1.617 1.00 13.24 O ATOM 1172 CB ILE A 73 4.761 1.813 -0.760 1.00 71.22 C ATOM 1173 CG1 ILE A 73 4.752 2.194 -2.241 1.00 14.24 C ATOM 1174 CG2 ILE A 73 3.803 2.705 0.018 1.00 54.44 C ATOM 1175 CD1 ILE A 73 3.386 2.080 -2.885 1.00 31.10 C ATOM 0 H ILE A 73 6.906 0.059 -0.833 1.00 65.23 H new ATOM 0 HA ILE A 73 6.537 2.935 -0.279 1.00 43.11 H new ATOM 0 HB ILE A 73 4.429 0.779 -0.671 1.00 71.22 H new ATOM 0 HG12 ILE A 73 5.111 3.218 -2.347 1.00 14.24 H new ATOM 0 HG13 ILE A 73 5.452 1.554 -2.777 1.00 14.24 H new ATOM 0 HG21 ILE A 73 2.804 2.626 -0.410 1.00 54.44 H new ATOM 0 HG22 ILE A 73 3.778 2.389 1.061 1.00 54.44 H new ATOM 0 HG23 ILE A 73 4.141 3.740 -0.040 1.00 54.44 H new ATOM 0 HD11 ILE A 73 3.454 2.365 -3.935 1.00 31.10 H new ATOM 0 HD12 ILE A 73 3.033 1.051 -2.811 1.00 31.10 H new ATOM 0 HD13 ILE A 73 2.686 2.741 -2.374 1.00 31.10 H new ATOM 1187 N LEU A 74 6.485 2.428 2.180 1.00 42.00 N ATOM 1188 CA LEU A 74 6.450 2.167 3.608 1.00 24.30 C ATOM 1189 C LEU A 74 5.214 2.817 4.219 1.00 43.32 C ATOM 1190 O LEU A 74 5.024 4.031 4.109 1.00 34.12 O ATOM 1191 CB LEU A 74 7.719 2.701 4.273 1.00 65.44 C ATOM 1192 CG LEU A 74 9.024 2.078 3.775 1.00 1.33 C ATOM 1193 CD1 LEU A 74 10.216 2.711 4.474 1.00 41.43 C ATOM 1194 CD2 LEU A 74 9.015 0.571 3.992 1.00 63.24 C ATOM 0 H LEU A 74 6.795 3.367 1.931 1.00 42.00 H new ATOM 0 HA LEU A 74 6.401 1.091 3.774 1.00 24.30 H new ATOM 0 HB2 LEU A 74 7.766 3.779 4.117 1.00 65.44 H new ATOM 0 HB3 LEU A 74 7.644 2.538 5.348 1.00 65.44 H new ATOM 0 HG LEU A 74 9.110 2.269 2.705 1.00 1.33 H new ATOM 0 HD11 LEU A 74 11.136 2.256 4.108 1.00 41.43 H new ATOM 0 HD12 LEU A 74 10.233 3.781 4.267 1.00 41.43 H new ATOM 0 HD13 LEU A 74 10.135 2.551 5.549 1.00 41.43 H new ATOM 0 HD21 LEU A 74 9.952 0.146 3.631 1.00 63.24 H new ATOM 0 HD22 LEU A 74 8.905 0.357 5.055 1.00 63.24 H new ATOM 0 HD23 LEU A 74 8.182 0.130 3.445 1.00 63.24 H new ATOM 1206 N VAL A 75 4.379 2.014 4.862 1.00 12.24 N ATOM 1207 CA VAL A 75 3.085 2.488 5.342 1.00 2.52 C ATOM 1208 C VAL A 75 2.815 2.072 6.783 1.00 31.31 C ATOM 1209 O VAL A 75 3.580 1.312 7.385 1.00 20.11 O ATOM 1210 CB VAL A 75 1.930 1.957 4.463 1.00 74.03 C ATOM 1211 CG1 VAL A 75 2.009 2.520 3.054 1.00 10.20 C ATOM 1212 CG2 VAL A 75 1.936 0.435 4.426 1.00 43.22 C ATOM 0 H VAL A 75 4.572 1.033 5.064 1.00 12.24 H new ATOM 0 HA VAL A 75 3.129 3.576 5.287 1.00 2.52 H new ATOM 0 HB VAL A 75 0.993 2.290 4.910 1.00 74.03 H new ATOM 0 HG11 VAL A 75 1.184 2.129 2.459 1.00 10.20 H new ATOM 0 HG12 VAL A 75 1.945 3.607 3.093 1.00 10.20 H new ATOM 0 HG13 VAL A 75 2.955 2.228 2.598 1.00 10.20 H new ATOM 0 HG21 VAL A 75 1.115 0.083 3.802 1.00 43.22 H new ATOM 0 HG22 VAL A 75 2.882 0.085 4.013 1.00 43.22 H new ATOM 0 HG23 VAL A 75 1.816 0.046 5.437 1.00 43.22 H new ATOM 1222 N GLU A 76 1.721 2.591 7.324 1.00 42.24 N ATOM 1223 CA GLU A 76 1.239 2.215 8.645 1.00 11.31 C ATOM 1224 C GLU A 76 -0.270 2.001 8.593 1.00 1.33 C ATOM 1225 O GLU A 76 -0.928 2.461 7.662 1.00 21.30 O ATOM 1226 CB GLU A 76 1.625 3.278 9.685 1.00 14.45 C ATOM 1227 CG GLU A 76 1.338 4.715 9.262 1.00 64.22 C ATOM 1228 CD GLU A 76 -0.043 5.196 9.656 1.00 32.01 C ATOM 1229 OE1 GLU A 76 -0.197 5.694 10.793 1.00 31.12 O ATOM 1230 OE2 GLU A 76 -0.970 5.103 8.835 1.00 41.15 O ATOM 0 H GLU A 76 1.141 3.288 6.856 1.00 42.24 H new ATOM 0 HA GLU A 76 1.709 1.280 8.951 1.00 11.31 H new ATOM 0 HB2 GLU A 76 1.089 3.072 10.612 1.00 14.45 H new ATOM 0 HB3 GLU A 76 2.689 3.183 9.904 1.00 14.45 H new ATOM 0 HG2 GLU A 76 2.084 5.373 9.708 1.00 64.22 H new ATOM 0 HG3 GLU A 76 1.448 4.796 8.181 1.00 64.22 H new ATOM 1237 N VAL A 77 -0.814 1.287 9.567 1.00 42.44 N ATOM 1238 CA VAL A 77 -2.227 0.936 9.546 1.00 45.41 C ATOM 1239 C VAL A 77 -3.051 1.867 10.441 1.00 74.51 C ATOM 1240 O VAL A 77 -2.669 2.163 11.578 1.00 41.10 O ATOM 1241 CB VAL A 77 -2.441 -0.543 9.957 1.00 71.31 C ATOM 1242 CG1 VAL A 77 -1.984 -0.799 11.387 1.00 70.13 C ATOM 1243 CG2 VAL A 77 -3.894 -0.957 9.765 1.00 74.32 C ATOM 0 H VAL A 77 -0.302 0.940 10.378 1.00 42.44 H new ATOM 0 HA VAL A 77 -2.576 1.061 8.521 1.00 45.41 H new ATOM 0 HB VAL A 77 -1.824 -1.158 9.302 1.00 71.31 H new ATOM 0 HG11 VAL A 77 -2.149 -1.846 11.640 1.00 70.13 H new ATOM 0 HG12 VAL A 77 -0.923 -0.567 11.477 1.00 70.13 H new ATOM 0 HG13 VAL A 77 -2.552 -0.167 12.069 1.00 70.13 H new ATOM 0 HG21 VAL A 77 -4.018 -1.999 10.060 1.00 74.32 H new ATOM 0 HG22 VAL A 77 -4.536 -0.327 10.380 1.00 74.32 H new ATOM 0 HG23 VAL A 77 -4.170 -0.842 8.717 1.00 74.32 H new ATOM 1253 N LEU A 78 -4.178 2.336 9.909 1.00 65.45 N ATOM 1254 CA LEU A 78 -5.056 3.255 10.629 1.00 14.45 C ATOM 1255 C LEU A 78 -5.967 2.501 11.585 1.00 13.22 C ATOM 1256 O LEU A 78 -6.539 3.076 12.513 1.00 74.01 O ATOM 1257 CB LEU A 78 -5.899 4.061 9.640 1.00 25.34 C ATOM 1258 CG LEU A 78 -5.104 4.878 8.625 1.00 3.31 C ATOM 1259 CD1 LEU A 78 -6.040 5.545 7.635 1.00 73.44 C ATOM 1260 CD2 LEU A 78 -4.248 5.915 9.330 1.00 22.31 C ATOM 0 H LEU A 78 -4.506 2.092 8.975 1.00 65.45 H new ATOM 0 HA LEU A 78 -4.432 3.934 11.210 1.00 14.45 H new ATOM 0 HB2 LEU A 78 -6.551 3.375 9.100 1.00 25.34 H new ATOM 0 HB3 LEU A 78 -6.543 4.737 10.202 1.00 25.34 H new ATOM 0 HG LEU A 78 -4.445 4.204 8.078 1.00 3.31 H new ATOM 0 HD11 LEU A 78 -5.458 6.124 6.918 1.00 73.44 H new ATOM 0 HD12 LEU A 78 -6.614 4.783 7.107 1.00 73.44 H new ATOM 0 HD13 LEU A 78 -6.722 6.208 8.168 1.00 73.44 H new ATOM 0 HD21 LEU A 78 -3.688 6.488 8.591 1.00 22.31 H new ATOM 0 HD22 LEU A 78 -4.888 6.587 9.902 1.00 22.31 H new ATOM 0 HD23 LEU A 78 -3.553 5.415 10.004 1.00 22.31 H new ATOM 1272 N LEU A 79 -6.100 1.211 11.339 1.00 14.42 N ATOM 1273 CA LEU A 79 -6.919 0.349 12.171 1.00 3.15 C ATOM 1274 C LEU A 79 -6.285 0.188 13.542 1.00 31.44 C ATOM 1275 O LEU A 79 -5.194 -0.374 13.670 1.00 74.35 O ATOM 1276 CB LEU A 79 -7.125 -1.024 11.520 1.00 44.13 C ATOM 1277 CG LEU A 79 -8.237 -1.100 10.467 1.00 23.11 C ATOM 1278 CD1 LEU A 79 -7.942 -0.189 9.287 1.00 5.13 C ATOM 1279 CD2 LEU A 79 -8.422 -2.534 9.999 1.00 1.05 C ATOM 0 H LEU A 79 -5.646 0.733 10.561 1.00 14.42 H new ATOM 0 HA LEU A 79 -7.896 0.819 12.281 1.00 3.15 H new ATOM 0 HB2 LEU A 79 -6.188 -1.329 11.055 1.00 44.13 H new ATOM 0 HB3 LEU A 79 -7.343 -1.749 12.305 1.00 44.13 H new ATOM 0 HG LEU A 79 -9.163 -0.758 10.929 1.00 23.11 H new ATOM 0 HD11 LEU A 79 -8.749 -0.265 8.558 1.00 5.13 H new ATOM 0 HD12 LEU A 79 -7.863 0.841 9.634 1.00 5.13 H new ATOM 0 HD13 LEU A 79 -7.003 -0.489 8.822 1.00 5.13 H new ATOM 0 HD21 LEU A 79 -9.214 -2.573 9.252 1.00 1.05 H new ATOM 0 HD22 LEU A 79 -7.492 -2.897 9.561 1.00 1.05 H new ATOM 0 HD23 LEU A 79 -8.692 -3.162 10.848 1.00 1.05 H new ATOM 1291 N GLU A 80 -6.962 0.692 14.558 1.00 25.11 N ATOM 1292 CA GLU A 80 -6.445 0.643 15.914 1.00 23.03 C ATOM 1293 C GLU A 80 -6.712 -0.721 16.538 1.00 24.11 C ATOM 1294 O GLU A 80 -7.615 -0.891 17.356 1.00 43.24 O ATOM 1295 CB GLU A 80 -7.044 1.772 16.751 1.00 32.23 C ATOM 1296 CG GLU A 80 -6.613 3.146 16.263 1.00 2.31 C ATOM 1297 CD GLU A 80 -7.301 4.281 16.989 1.00 50.20 C ATOM 1298 OE1 GLU A 80 -7.016 4.486 18.188 1.00 73.22 O ATOM 1299 OE2 GLU A 80 -8.103 4.997 16.353 1.00 33.52 O ATOM 0 H GLU A 80 -7.874 1.141 14.469 1.00 25.11 H new ATOM 0 HA GLU A 80 -5.365 0.786 15.886 1.00 23.03 H new ATOM 0 HB2 GLU A 80 -8.132 1.704 16.723 1.00 32.23 H new ATOM 0 HB3 GLU A 80 -6.744 1.648 17.791 1.00 32.23 H new ATOM 0 HG2 GLU A 80 -5.535 3.246 16.386 1.00 2.31 H new ATOM 0 HG3 GLU A 80 -6.821 3.227 15.196 1.00 2.31 H new ATOM 1306 N HIS A 81 -5.935 -1.696 16.095 1.00 21.40 N ATOM 1307 CA HIS A 81 -6.000 -3.049 16.617 1.00 13.22 C ATOM 1308 C HIS A 81 -4.577 -3.554 16.814 1.00 50.25 C ATOM 1309 O HIS A 81 -3.920 -3.962 15.856 1.00 61.05 O ATOM 1310 CB HIS A 81 -6.766 -3.957 15.644 1.00 63.41 C ATOM 1311 CG HIS A 81 -7.239 -5.249 16.243 1.00 64.32 C ATOM 1312 ND1 HIS A 81 -8.574 -5.570 16.375 1.00 14.40 N ATOM 1313 CD2 HIS A 81 -6.554 -6.309 16.734 1.00 61.21 C ATOM 1314 CE1 HIS A 81 -8.689 -6.763 16.922 1.00 12.34 C ATOM 1315 NE2 HIS A 81 -7.480 -7.234 17.149 1.00 61.31 N ATOM 0 H HIS A 81 -5.239 -1.569 15.360 1.00 21.40 H new ATOM 0 HA HIS A 81 -6.530 -3.059 17.570 1.00 13.22 H new ATOM 0 HB2 HIS A 81 -7.628 -3.412 15.260 1.00 63.41 H new ATOM 0 HB3 HIS A 81 -6.124 -4.179 14.792 1.00 63.41 H new ATOM 0 HD2 HIS A 81 -5.480 -6.408 16.789 1.00 61.21 H new ATOM 0 HE1 HIS A 81 -9.617 -7.269 17.146 1.00 12.34 H new ATOM 0 HE2 HIS A 81 -7.266 -8.140 17.566 1.00 61.31 H new ATOM 1324 N HIS A 82 -4.098 -3.504 18.050 1.00 13.04 N ATOM 1325 CA HIS A 82 -2.694 -3.797 18.342 1.00 33.34 C ATOM 1326 C HIS A 82 -2.369 -5.289 18.281 1.00 35.43 C ATOM 1327 O HIS A 82 -1.979 -5.892 19.278 1.00 52.34 O ATOM 1328 CB HIS A 82 -2.263 -3.203 19.698 1.00 54.42 C ATOM 1329 CG HIS A 82 -3.194 -3.464 20.855 1.00 61.41 C ATOM 1330 ND1 HIS A 82 -3.576 -2.476 21.736 1.00 33.34 N ATOM 1331 CD2 HIS A 82 -3.801 -4.598 21.287 1.00 71.32 C ATOM 1332 CE1 HIS A 82 -4.371 -2.990 22.656 1.00 21.14 C ATOM 1333 NE2 HIS A 82 -4.527 -4.277 22.406 1.00 62.52 N ATOM 0 H HIS A 82 -4.657 -3.264 18.868 1.00 13.04 H new ATOM 0 HA HIS A 82 -2.118 -3.315 17.552 1.00 33.34 H new ATOM 0 HB2 HIS A 82 -1.280 -3.600 19.951 1.00 54.42 H new ATOM 0 HB3 HIS A 82 -2.152 -2.125 19.582 1.00 54.42 H new ATOM 0 HD2 HIS A 82 -3.726 -5.575 20.833 1.00 71.32 H new ATOM 0 HE1 HIS A 82 -4.819 -2.448 23.476 1.00 21.14 H new ATOM 0 HE2 HIS A 82 -5.093 -4.925 22.954 1.00 62.52 H new ATOM 1342 N HIS A 83 -2.512 -5.878 17.103 1.00 44.32 N ATOM 1343 CA HIS A 83 -2.086 -7.256 16.896 1.00 12.24 C ATOM 1344 C HIS A 83 -0.585 -7.272 16.599 1.00 2.51 C ATOM 1345 O HIS A 83 -0.147 -7.020 15.477 1.00 64.03 O ATOM 1346 CB HIS A 83 -2.915 -7.956 15.792 1.00 33.10 C ATOM 1347 CG HIS A 83 -2.801 -7.384 14.402 1.00 1.22 C ATOM 1348 ND1 HIS A 83 -2.312 -8.107 13.340 1.00 64.12 N ATOM 1349 CD2 HIS A 83 -3.152 -6.177 13.896 1.00 44.02 C ATOM 1350 CE1 HIS A 83 -2.362 -7.375 12.247 1.00 31.02 C ATOM 1351 NE2 HIS A 83 -2.870 -6.196 12.550 1.00 43.24 N ATOM 0 H HIS A 83 -2.916 -5.429 16.281 1.00 44.32 H new ATOM 0 HA HIS A 83 -2.268 -7.830 17.805 1.00 12.24 H new ATOM 0 HB2 HIS A 83 -2.618 -9.004 15.755 1.00 33.10 H new ATOM 0 HB3 HIS A 83 -3.964 -7.932 16.086 1.00 33.10 H new ATOM 0 HD1 HIS A 83 -1.964 -9.064 13.391 1.00 64.12 H new ATOM 0 HD2 HIS A 83 -3.576 -5.351 14.448 1.00 44.02 H new ATOM 0 HE1 HIS A 83 -2.040 -7.688 11.265 1.00 31.02 H new ATOM 1360 N HIS A 84 0.202 -7.528 17.635 1.00 44.22 N ATOM 1361 CA HIS A 84 1.651 -7.371 17.561 1.00 22.32 C ATOM 1362 C HIS A 84 2.304 -8.513 16.794 1.00 51.33 C ATOM 1363 O HIS A 84 2.402 -9.634 17.301 1.00 73.51 O ATOM 1364 CB HIS A 84 2.256 -7.281 18.964 1.00 12.14 C ATOM 1365 CG HIS A 84 1.775 -6.108 19.761 1.00 4.42 C ATOM 1366 ND1 HIS A 84 0.828 -6.214 20.752 1.00 22.23 N ATOM 1367 CD2 HIS A 84 2.120 -4.799 19.712 1.00 61.25 C ATOM 1368 CE1 HIS A 84 0.609 -5.027 21.281 1.00 2.10 C ATOM 1369 NE2 HIS A 84 1.381 -4.151 20.669 1.00 15.25 N ATOM 0 H HIS A 84 -0.139 -7.847 18.542 1.00 44.22 H new ATOM 0 HA HIS A 84 1.847 -6.444 17.023 1.00 22.32 H new ATOM 0 HB2 HIS A 84 2.024 -8.197 19.508 1.00 12.14 H new ATOM 0 HB3 HIS A 84 3.341 -7.228 18.878 1.00 12.14 H new ATOM 0 HD2 HIS A 84 2.841 -4.350 19.045 1.00 61.25 H new ATOM 0 HE1 HIS A 84 -0.085 -4.809 22.080 1.00 2.10 H new ATOM 0 HE2 HIS A 84 1.422 -3.153 20.874 1.00 15.25 H new ATOM 1378 N HIS A 85 2.717 -8.218 15.559 1.00 23.24 N ATOM 1379 CA HIS A 85 3.479 -9.155 14.722 1.00 3.15 C ATOM 1380 C HIS A 85 2.661 -10.412 14.404 1.00 10.30 C ATOM 1381 O HIS A 85 3.191 -11.406 13.911 1.00 65.14 O ATOM 1382 CB HIS A 85 4.804 -9.525 15.413 1.00 42.23 C ATOM 1383 CG HIS A 85 5.829 -10.130 14.499 1.00 22.40 C ATOM 1384 ND1 HIS A 85 6.606 -9.380 13.645 1.00 52.43 N ATOM 1385 CD2 HIS A 85 6.206 -11.417 14.312 1.00 13.23 C ATOM 1386 CE1 HIS A 85 7.416 -10.177 12.974 1.00 33.34 C ATOM 1387 NE2 HIS A 85 7.196 -11.420 13.361 1.00 21.50 N ATOM 0 H HIS A 85 2.533 -7.322 15.108 1.00 23.24 H new ATOM 0 HA HIS A 85 3.702 -8.662 13.776 1.00 3.15 H new ATOM 0 HB2 HIS A 85 5.225 -8.629 15.869 1.00 42.23 H new ATOM 0 HB3 HIS A 85 4.595 -10.226 16.221 1.00 42.23 H new ATOM 0 HD2 HIS A 85 5.802 -12.282 14.818 1.00 13.23 H new ATOM 0 HE1 HIS A 85 8.137 -9.865 12.233 1.00 33.34 H new ATOM 0 HE2 HIS A 85 7.681 -12.246 13.011 1.00 21.50 H new ATOM 1396 N HIS A 86 1.365 -10.348 14.665 1.00 2.34 N ATOM 1397 CA HIS A 86 0.471 -11.472 14.433 1.00 70.33 C ATOM 1398 C HIS A 86 -0.971 -10.997 14.515 1.00 73.23 C ATOM 1399 O HIS A 86 -1.525 -10.988 15.631 1.00 37.46 O ATOM 1400 CB HIS A 86 0.713 -12.577 15.469 1.00 1.54 C ATOM 1401 CG HIS A 86 1.108 -13.896 14.877 1.00 4.43 C ATOM 1402 ND1 HIS A 86 0.198 -14.849 14.487 1.00 4.12 N ATOM 1403 CD2 HIS A 86 2.329 -14.427 14.634 1.00 32.41 C ATOM 1404 CE1 HIS A 86 0.839 -15.910 14.034 1.00 25.51 C ATOM 1405 NE2 HIS A 86 2.135 -15.684 14.113 1.00 22.02 N ATOM 1406 OXT HIS A 86 -1.521 -10.591 13.473 1.00 37.46 O ATOM 0 H HIS A 86 0.904 -9.520 15.042 1.00 2.34 H new ATOM 0 HA HIS A 86 0.668 -11.879 13.441 1.00 70.33 H new ATOM 0 HB2 HIS A 86 1.494 -12.251 16.156 1.00 1.54 H new ATOM 0 HB3 HIS A 86 -0.194 -12.713 16.058 1.00 1.54 H new ATOM 0 HD2 HIS A 86 3.281 -13.951 14.816 1.00 32.41 H new ATOM 0 HE1 HIS A 86 0.378 -16.813 13.661 1.00 25.51 H new ATOM 0 HE2 HIS A 86 2.871 -16.333 13.834 1.00 22.02 H new TER 1415 HIS A 86