USER MOD reduce.3.24.130724 H: found=0, std=0, add=542, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 542 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 35 ASN : amide:sc= 0.24 K(o=2,f=-2.5) USER MOD Set 1.2: A 50 LYS NZ :NH3+ -158:sc= 1.1 (180deg=-0.735) USER MOD Set 1.3: A 51 ASN : amide:sc= 0.678 K(o=2,f=-6.8!) USER MOD Set 2.1: A 42 ASN : amide:sc= 0.0848 K(o=0.14,f=-1.1) USER MOD Set 2.2: A 44 LYS NZ :NH3+ -179:sc= 0.0574 (180deg=-0.0193) USER MOD Single : A 1 MET CE :methyl -176:sc= 0 (180deg=-0.0645) USER MOD Single : A 1 MET N :NH3+ 139:sc= -0.0104 (180deg=-0.0321) USER MOD Single : A 6 LYS NZ :NH3+ -162:sc= 1.22 (180deg=1) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot 32:sc= 0.857 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 167:sc= 1.27 (180deg=1.08) USER MOD Single : A 29 ASN : amide:sc= -0.015 K(o=-0.015,f=-0.93) USER MOD Single : A 32 SER OG : rot 180:sc= 0.26 USER MOD Single : A 34 GLN : amide:sc= -0.252 X(o=-0.25,f=-0.6) USER MOD Single : A 37 TYR OH : rot 140:sc= 0.0722 USER MOD Single : A 38 LYS NZ :NH3+ 151:sc= 1.09 (180deg=0.476) USER MOD Single : A 52 TYR OH : rot -177:sc= 0.025 USER MOD Single : A 55 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 1 VAL N :NH3+ -164:sc= -0.0145 (180deg=-0.348) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 13.996 3.977 1.432 1.00 0.00 N ATOM 2 CA MET A 1 13.188 2.956 2.088 1.00 0.00 C ATOM 3 C MET A 1 12.081 2.437 1.149 1.00 0.00 C ATOM 4 O MET A 1 11.400 3.215 0.477 1.00 0.00 O ATOM 5 CB MET A 1 12.634 3.476 3.431 1.00 0.00 C ATOM 6 CG MET A 1 11.749 4.729 3.321 1.00 0.00 C ATOM 7 SD MET A 1 11.130 5.354 4.909 1.00 0.00 S ATOM 8 CE MET A 1 10.159 6.774 4.342 1.00 0.00 C ATOM 0 H1 MET A 1 14.201 4.743 2.105 1.00 0.00 H new ATOM 0 H2 MET A 1 14.889 3.556 1.104 1.00 0.00 H new ATOM 0 H3 MET A 1 13.475 4.362 0.618 1.00 0.00 H new ATOM 0 HA MET A 1 13.825 2.102 2.318 1.00 0.00 H new ATOM 0 HB2 MET A 1 12.057 2.681 3.902 1.00 0.00 H new ATOM 0 HB3 MET A 1 13.472 3.697 4.093 1.00 0.00 H new ATOM 0 HG2 MET A 1 12.318 5.519 2.831 1.00 0.00 H new ATOM 0 HG3 MET A 1 10.899 4.503 2.678 1.00 0.00 H new ATOM 0 HE1 MET A 1 9.767 7.314 5.204 1.00 0.00 H new ATOM 0 HE2 MET A 1 10.794 7.438 3.756 1.00 0.00 H new ATOM 0 HE3 MET A 1 9.331 6.425 3.724 1.00 0.00 H new ATOM 19 N GLU A 2 11.904 1.107 1.106 1.00 0.00 N ATOM 20 CA GLU A 2 10.939 0.425 0.244 1.00 0.00 C ATOM 21 C GLU A 2 10.455 -0.908 0.845 1.00 0.00 C ATOM 22 O GLU A 2 10.939 -1.356 1.885 1.00 0.00 O ATOM 23 CB GLU A 2 11.523 0.259 -1.174 1.00 0.00 C ATOM 24 CG GLU A 2 12.734 -0.689 -1.250 1.00 0.00 C ATOM 25 CD GLU A 2 13.224 -0.908 -2.686 1.00 0.00 C ATOM 26 OE1 GLU A 2 13.151 0.057 -3.480 1.00 0.00 O ATOM 27 OE2 GLU A 2 13.667 -2.043 -2.968 1.00 0.00 O ATOM 0 H GLU A 2 12.444 0.465 1.686 1.00 0.00 H new ATOM 0 HA GLU A 2 10.048 1.049 0.170 1.00 0.00 H new ATOM 0 HB2 GLU A 2 10.741 -0.114 -1.835 1.00 0.00 H new ATOM 0 HB3 GLU A 2 11.818 1.238 -1.550 1.00 0.00 H new ATOM 0 HG2 GLU A 2 13.548 -0.281 -0.651 1.00 0.00 H new ATOM 0 HG3 GLU A 2 12.466 -1.650 -0.811 1.00 0.00 H new ATOM 34 N ALA A 3 9.472 -1.523 0.175 1.00 0.00 N ATOM 35 CA ALA A 3 8.789 -2.750 0.577 1.00 0.00 C ATOM 36 C ALA A 3 8.371 -3.575 -0.650 1.00 0.00 C ATOM 37 O ALA A 3 8.178 -3.032 -1.737 1.00 0.00 O ATOM 38 CB ALA A 3 7.557 -2.376 1.409 1.00 0.00 C ATOM 0 H ALA A 3 9.116 -1.155 -0.708 1.00 0.00 H new ATOM 0 HA ALA A 3 9.469 -3.361 1.171 1.00 0.00 H new ATOM 0 HB1 ALA A 3 7.037 -3.283 1.716 1.00 0.00 H new ATOM 0 HB2 ALA A 3 7.870 -1.820 2.293 1.00 0.00 H new ATOM 0 HB3 ALA A 3 6.887 -1.759 0.810 1.00 0.00 H new ATOM 44 N ILE A 4 8.204 -4.892 -0.459 1.00 0.00 N ATOM 45 CA ILE A 4 7.738 -5.840 -1.472 1.00 0.00 C ATOM 46 C ILE A 4 6.271 -6.206 -1.192 1.00 0.00 C ATOM 47 O ILE A 4 5.914 -6.520 -0.056 1.00 0.00 O ATOM 48 CB ILE A 4 8.645 -7.093 -1.483 1.00 0.00 C ATOM 49 CG1 ILE A 4 10.140 -6.753 -1.681 1.00 0.00 C ATOM 50 CG2 ILE A 4 8.179 -8.107 -2.544 1.00 0.00 C ATOM 51 CD1 ILE A 4 10.459 -5.986 -2.972 1.00 0.00 C ATOM 0 H ILE A 4 8.397 -5.338 0.438 1.00 0.00 H new ATOM 0 HA ILE A 4 7.794 -5.384 -2.460 1.00 0.00 H new ATOM 0 HB ILE A 4 8.550 -7.546 -0.496 1.00 0.00 H new ATOM 0 HG12 ILE A 4 10.480 -6.162 -0.830 1.00 0.00 H new ATOM 0 HG13 ILE A 4 10.713 -7.680 -1.674 1.00 0.00 H new ATOM 0 HG21 ILE A 4 8.835 -8.977 -2.529 1.00 0.00 H new ATOM 0 HG22 ILE A 4 7.158 -8.419 -2.325 1.00 0.00 H new ATOM 0 HG23 ILE A 4 8.214 -7.644 -3.530 1.00 0.00 H new ATOM 0 HD11 ILE A 4 11.530 -5.792 -3.025 1.00 0.00 H new ATOM 0 HD12 ILE A 4 10.155 -6.581 -3.833 1.00 0.00 H new ATOM 0 HD13 ILE A 4 9.918 -5.040 -2.976 1.00 0.00 H new ATOM 63 N ALA A 5 5.428 -6.185 -2.234 1.00 0.00 N ATOM 64 CA ALA A 5 4.024 -6.587 -2.174 1.00 0.00 C ATOM 65 C ALA A 5 3.884 -8.093 -1.880 1.00 0.00 C ATOM 66 O ALA A 5 4.365 -8.923 -2.652 1.00 0.00 O ATOM 67 CB ALA A 5 3.349 -6.221 -3.497 1.00 0.00 C ATOM 0 H ALA A 5 5.715 -5.879 -3.164 1.00 0.00 H new ATOM 0 HA ALA A 5 3.534 -6.058 -1.357 1.00 0.00 H new ATOM 0 HB1 ALA A 5 2.300 -6.516 -3.464 1.00 0.00 H new ATOM 0 HB2 ALA A 5 3.418 -5.145 -3.655 1.00 0.00 H new ATOM 0 HB3 ALA A 5 3.847 -6.741 -4.316 1.00 0.00 H new ATOM 73 N LYS A 6 3.214 -8.434 -0.768 1.00 0.00 N ATOM 74 CA LYS A 6 2.993 -9.800 -0.280 1.00 0.00 C ATOM 75 C LYS A 6 1.695 -10.396 -0.849 1.00 0.00 C ATOM 76 O LYS A 6 1.681 -11.566 -1.231 1.00 0.00 O ATOM 77 CB LYS A 6 2.982 -9.805 1.262 1.00 0.00 C ATOM 78 CG LYS A 6 4.364 -9.483 1.863 1.00 0.00 C ATOM 79 CD LYS A 6 5.329 -10.684 1.862 1.00 0.00 C ATOM 80 CE LYS A 6 5.063 -11.688 2.996 1.00 0.00 C ATOM 81 NZ LYS A 6 5.332 -11.106 4.326 1.00 0.00 N ATOM 0 H LYS A 6 2.794 -7.732 -0.159 1.00 0.00 H new ATOM 0 HA LYS A 6 3.811 -10.431 -0.627 1.00 0.00 H new ATOM 0 HB2 LYS A 6 2.255 -9.076 1.619 1.00 0.00 H new ATOM 0 HB3 LYS A 6 2.654 -10.782 1.617 1.00 0.00 H new ATOM 0 HG2 LYS A 6 4.814 -8.665 1.301 1.00 0.00 H new ATOM 0 HG3 LYS A 6 4.234 -9.133 2.887 1.00 0.00 H new ATOM 0 HD2 LYS A 6 5.252 -11.200 0.905 1.00 0.00 H new ATOM 0 HD3 LYS A 6 6.352 -10.317 1.945 1.00 0.00 H new ATOM 0 HE2 LYS A 6 4.026 -12.021 2.949 1.00 0.00 H new ATOM 0 HE3 LYS A 6 5.688 -12.570 2.853 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 5.440 -11.870 5.024 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 6.207 -10.545 4.289 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 4.539 -10.493 4.603 1.00 0.00 H new ATOM 95 N VAL A 7 0.617 -9.598 -0.914 1.00 0.00 N ATOM 96 CA VAL A 7 -0.633 -9.918 -1.611 1.00 0.00 C ATOM 97 C VAL A 7 -1.093 -8.709 -2.447 1.00 0.00 C ATOM 98 O VAL A 7 -0.812 -7.561 -2.101 1.00 0.00 O ATOM 99 CB VAL A 7 -1.726 -10.420 -0.641 1.00 0.00 C ATOM 100 CG1 VAL A 7 -1.410 -11.825 -0.105 1.00 0.00 C ATOM 101 CG2 VAL A 7 -1.966 -9.469 0.538 1.00 0.00 C ATOM 0 H VAL A 7 0.594 -8.682 -0.466 1.00 0.00 H new ATOM 0 HA VAL A 7 -0.445 -10.746 -2.295 1.00 0.00 H new ATOM 0 HB VAL A 7 -2.640 -10.457 -1.233 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -2.202 -12.142 0.573 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -1.343 -12.525 -0.937 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -0.460 -11.805 0.430 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -2.744 -9.878 1.182 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -1.044 -9.357 1.109 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -2.280 -8.495 0.162 1.00 0.00 H new ATOM 111 N ASP A 8 -1.773 -8.975 -3.573 1.00 0.00 N ATOM 112 CA ASP A 8 -2.176 -7.974 -4.562 1.00 0.00 C ATOM 113 C ASP A 8 -3.335 -7.097 -4.052 1.00 0.00 C ATOM 114 O ASP A 8 -4.206 -7.573 -3.323 1.00 0.00 O ATOM 115 CB ASP A 8 -2.503 -8.668 -5.898 1.00 0.00 C ATOM 116 CG ASP A 8 -3.637 -9.691 -5.789 1.00 0.00 C ATOM 117 OD1 ASP A 8 -3.329 -10.833 -5.381 1.00 0.00 O ATOM 118 OD2 ASP A 8 -4.782 -9.321 -6.125 1.00 0.00 O ATOM 0 H ASP A 8 -2.064 -9.920 -3.824 1.00 0.00 H new ATOM 0 HA ASP A 8 -1.343 -7.291 -4.731 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -2.775 -7.912 -6.635 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -1.608 -9.167 -6.269 1.00 0.00 H new ATOM 123 N PHE A 9 -3.321 -5.809 -4.430 1.00 0.00 N ATOM 124 CA PHE A 9 -4.240 -4.770 -3.969 1.00 0.00 C ATOM 125 C PHE A 9 -4.851 -4.002 -5.153 1.00 0.00 C ATOM 126 O PHE A 9 -4.122 -3.429 -5.964 1.00 0.00 O ATOM 127 CB PHE A 9 -3.482 -3.795 -3.055 1.00 0.00 C ATOM 128 CG PHE A 9 -4.323 -2.633 -2.547 1.00 0.00 C ATOM 129 CD1 PHE A 9 -5.536 -2.877 -1.863 1.00 0.00 C ATOM 130 CD2 PHE A 9 -3.982 -1.311 -2.907 1.00 0.00 C ATOM 131 CE1 PHE A 9 -6.410 -1.809 -1.569 1.00 0.00 C ATOM 132 CE2 PHE A 9 -4.840 -0.240 -2.587 1.00 0.00 C ATOM 133 CZ PHE A 9 -6.065 -0.492 -1.935 1.00 0.00 C ATOM 0 H PHE A 9 -2.635 -5.453 -5.096 1.00 0.00 H new ATOM 0 HA PHE A 9 -5.053 -5.245 -3.419 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -3.090 -4.346 -2.200 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -2.624 -3.398 -3.598 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -5.794 -3.882 -1.565 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -3.057 -1.119 -3.431 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -7.345 -2.001 -1.063 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -4.560 0.772 -2.841 1.00 0.00 H new ATOM 0 HZ PHE A 9 -6.738 0.324 -1.716 1.00 0.00 H new ATOM 143 N LYS A 10 -6.190 -3.935 -5.194 1.00 0.00 N ATOM 144 CA LYS A 10 -6.972 -3.101 -6.102 1.00 0.00 C ATOM 145 C LYS A 10 -7.450 -1.845 -5.353 1.00 0.00 C ATOM 146 O LYS A 10 -8.233 -1.949 -4.408 1.00 0.00 O ATOM 147 CB LYS A 10 -8.152 -3.920 -6.656 1.00 0.00 C ATOM 148 CG LYS A 10 -8.984 -3.115 -7.668 1.00 0.00 C ATOM 149 CD LYS A 10 -10.112 -3.973 -8.260 1.00 0.00 C ATOM 150 CE LYS A 10 -10.946 -3.157 -9.258 1.00 0.00 C ATOM 151 NZ LYS A 10 -12.039 -3.961 -9.837 1.00 0.00 N ATOM 0 H LYS A 10 -6.776 -4.486 -4.567 1.00 0.00 H new ATOM 0 HA LYS A 10 -6.362 -2.778 -6.946 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -7.774 -4.824 -7.134 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -8.791 -4.239 -5.832 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -9.408 -2.238 -7.179 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -8.339 -2.753 -8.469 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -9.689 -4.845 -8.759 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -10.753 -4.343 -7.460 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -11.362 -2.283 -8.756 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -10.302 -2.789 -10.056 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -12.581 -3.378 -10.506 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -11.640 -4.781 -10.336 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -12.667 -4.291 -9.077 1.00 0.00 H new ATOM 165 N ALA A 11 -7.006 -0.660 -5.797 1.00 0.00 N ATOM 166 CA ALA A 11 -7.455 0.635 -5.282 1.00 0.00 C ATOM 167 C ALA A 11 -8.912 0.940 -5.677 1.00 0.00 C ATOM 168 O ALA A 11 -9.395 0.473 -6.710 1.00 0.00 O ATOM 169 CB ALA A 11 -6.517 1.744 -5.780 1.00 0.00 C ATOM 0 H ALA A 11 -6.311 -0.577 -6.539 1.00 0.00 H new ATOM 0 HA ALA A 11 -7.422 0.593 -4.193 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -6.854 2.706 -5.395 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -5.504 1.548 -5.430 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -6.526 1.766 -6.870 1.00 0.00 H new ATOM 175 N THR A 12 -9.598 1.740 -4.848 1.00 0.00 N ATOM 176 CA THR A 12 -10.977 2.198 -5.042 1.00 0.00 C ATOM 177 C THR A 12 -11.114 3.714 -4.799 1.00 0.00 C ATOM 178 O THR A 12 -11.788 4.392 -5.575 1.00 0.00 O ATOM 179 CB THR A 12 -11.956 1.356 -4.196 1.00 0.00 C ATOM 180 OG1 THR A 12 -13.285 1.768 -4.448 1.00 0.00 O ATOM 181 CG2 THR A 12 -11.699 1.401 -2.683 1.00 0.00 C ATOM 0 H THR A 12 -9.187 2.100 -3.987 1.00 0.00 H new ATOM 0 HA THR A 12 -11.248 2.041 -6.086 1.00 0.00 H new ATOM 0 HB THR A 12 -11.791 0.324 -4.505 1.00 0.00 H new ATOM 0 HG1 THR A 12 -13.902 1.229 -3.910 1.00 0.00 H new ATOM 0 HG21 THR A 12 -12.434 0.781 -2.170 1.00 0.00 H new ATOM 0 HG22 THR A 12 -10.698 1.025 -2.473 1.00 0.00 H new ATOM 0 HG23 THR A 12 -11.782 2.429 -2.330 1.00 0.00 H new ATOM 189 N ALA A 13 -10.471 4.259 -3.751 1.00 0.00 N ATOM 190 CA ALA A 13 -10.457 5.698 -3.464 1.00 0.00 C ATOM 191 C ALA A 13 -9.527 6.473 -4.422 1.00 0.00 C ATOM 192 O ALA A 13 -8.817 5.882 -5.237 1.00 0.00 O ATOM 193 CB ALA A 13 -10.090 5.925 -1.989 1.00 0.00 C ATOM 0 H ALA A 13 -9.943 3.706 -3.076 1.00 0.00 H new ATOM 0 HA ALA A 13 -11.457 6.096 -3.637 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -10.080 6.994 -1.777 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -10.826 5.436 -1.351 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -9.103 5.507 -1.791 1.00 0.00 H new ATOM 199 N ASP A 14 -9.548 7.811 -4.337 1.00 0.00 N ATOM 200 CA ASP A 14 -8.799 8.714 -5.212 1.00 0.00 C ATOM 201 C ASP A 14 -7.283 8.655 -4.939 1.00 0.00 C ATOM 202 O ASP A 14 -6.518 8.247 -5.813 1.00 0.00 O ATOM 203 CB ASP A 14 -9.390 10.137 -5.131 1.00 0.00 C ATOM 204 CG ASP A 14 -9.443 10.711 -3.712 1.00 0.00 C ATOM 205 OD1 ASP A 14 -10.272 10.201 -2.927 1.00 0.00 O ATOM 206 OD2 ASP A 14 -8.652 11.640 -3.439 1.00 0.00 O ATOM 0 H ASP A 14 -10.103 8.305 -3.638 1.00 0.00 H new ATOM 0 HA ASP A 14 -8.910 8.381 -6.244 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -8.797 10.802 -5.759 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -10.398 10.124 -5.544 1.00 0.00 H new ATOM 211 N ASP A 15 -6.847 9.034 -3.728 1.00 0.00 N ATOM 212 CA ASP A 15 -5.453 8.998 -3.286 1.00 0.00 C ATOM 213 C ASP A 15 -5.070 7.570 -2.854 1.00 0.00 C ATOM 214 O ASP A 15 -4.723 7.330 -1.697 1.00 0.00 O ATOM 215 CB ASP A 15 -5.251 10.056 -2.178 1.00 0.00 C ATOM 216 CG ASP A 15 -6.038 9.767 -0.894 1.00 0.00 C ATOM 217 OD1 ASP A 15 -7.274 9.611 -0.993 1.00 0.00 O ATOM 218 OD2 ASP A 15 -5.388 9.670 0.171 1.00 0.00 O ATOM 0 H ASP A 15 -7.480 9.385 -3.009 1.00 0.00 H new ATOM 0 HA ASP A 15 -4.779 9.254 -4.103 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -4.190 10.117 -1.936 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -5.547 11.032 -2.562 1.00 0.00 H new ATOM 223 N GLU A 16 -5.148 6.603 -3.781 1.00 0.00 N ATOM 224 CA GLU A 16 -5.029 5.186 -3.462 1.00 0.00 C ATOM 225 C GLU A 16 -4.324 4.442 -4.603 1.00 0.00 C ATOM 226 O GLU A 16 -4.814 4.414 -5.732 1.00 0.00 O ATOM 227 CB GLU A 16 -6.435 4.656 -3.142 1.00 0.00 C ATOM 228 CG GLU A 16 -6.396 3.345 -2.349 1.00 0.00 C ATOM 229 CD GLU A 16 -7.730 3.075 -1.656 1.00 0.00 C ATOM 230 OE1 GLU A 16 -8.612 2.494 -2.322 1.00 0.00 O ATOM 231 OE2 GLU A 16 -7.856 3.490 -0.482 1.00 0.00 O ATOM 0 H GLU A 16 -5.296 6.790 -4.773 1.00 0.00 H new ATOM 0 HA GLU A 16 -4.404 5.021 -2.584 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -6.983 5.407 -2.572 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -6.982 4.500 -4.072 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -6.158 2.519 -3.019 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -5.600 3.391 -1.605 1.00 0.00 H new ATOM 238 N LEU A 17 -3.145 3.879 -4.305 1.00 0.00 N ATOM 239 CA LEU A 17 -2.231 3.258 -5.258 1.00 0.00 C ATOM 240 C LEU A 17 -2.457 1.743 -5.299 1.00 0.00 C ATOM 241 O LEU A 17 -2.305 1.066 -4.285 1.00 0.00 O ATOM 242 CB LEU A 17 -0.789 3.608 -4.854 1.00 0.00 C ATOM 243 CG LEU A 17 0.299 2.885 -5.668 1.00 0.00 C ATOM 244 CD1 LEU A 17 0.234 3.285 -7.149 1.00 0.00 C ATOM 245 CD2 LEU A 17 1.664 3.273 -5.096 1.00 0.00 C ATOM 0 H LEU A 17 -2.792 3.845 -3.349 1.00 0.00 H new ATOM 0 HA LEU A 17 -2.416 3.637 -6.263 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -0.648 4.684 -4.958 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -0.653 3.370 -3.799 1.00 0.00 H new ATOM 0 HG LEU A 17 0.143 1.808 -5.600 1.00 0.00 H new ATOM 0 HD11 LEU A 17 1.013 2.760 -7.702 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -0.742 3.019 -7.555 1.00 0.00 H new ATOM 0 HD13 LEU A 17 0.384 4.361 -7.242 1.00 0.00 H new ATOM 0 HD21 LEU A 17 2.451 2.771 -5.659 1.00 0.00 H new ATOM 0 HD22 LEU A 17 1.796 4.352 -5.171 1.00 0.00 H new ATOM 0 HD23 LEU A 17 1.719 2.973 -4.050 1.00 0.00 H new ATOM 257 N SER A 18 -2.780 1.221 -6.490 1.00 0.00 N ATOM 258 CA SER A 18 -2.961 -0.203 -6.777 1.00 0.00 C ATOM 259 C SER A 18 -1.609 -0.873 -7.075 1.00 0.00 C ATOM 260 O SER A 18 -0.699 -0.227 -7.600 1.00 0.00 O ATOM 261 CB SER A 18 -3.919 -0.353 -7.969 1.00 0.00 C ATOM 262 OG SER A 18 -4.176 -1.714 -8.254 1.00 0.00 O ATOM 0 H SER A 18 -2.928 1.806 -7.312 1.00 0.00 H new ATOM 0 HA SER A 18 -3.388 -0.698 -5.905 1.00 0.00 H new ATOM 0 HB2 SER A 18 -4.857 0.158 -7.751 1.00 0.00 H new ATOM 0 HB3 SER A 18 -3.489 0.130 -8.847 1.00 0.00 H new ATOM 0 HG SER A 18 -4.154 -2.232 -7.422 1.00 0.00 H new ATOM 268 N PHE A 19 -1.478 -2.169 -6.752 1.00 0.00 N ATOM 269 CA PHE A 19 -0.255 -2.941 -6.984 1.00 0.00 C ATOM 270 C PHE A 19 -0.517 -4.456 -6.999 1.00 0.00 C ATOM 271 O PHE A 19 -1.539 -4.930 -6.507 1.00 0.00 O ATOM 272 CB PHE A 19 0.813 -2.560 -5.942 1.00 0.00 C ATOM 273 CG PHE A 19 0.405 -2.795 -4.497 1.00 0.00 C ATOM 274 CD1 PHE A 19 0.582 -4.064 -3.901 1.00 0.00 C ATOM 275 CD2 PHE A 19 -0.166 -1.743 -3.747 1.00 0.00 C ATOM 276 CE1 PHE A 19 0.267 -4.256 -2.539 1.00 0.00 C ATOM 277 CE2 PHE A 19 -0.531 -1.952 -2.403 1.00 0.00 C ATOM 278 CZ PHE A 19 -0.280 -3.195 -1.787 1.00 0.00 C ATOM 0 H PHE A 19 -2.226 -2.712 -6.319 1.00 0.00 H new ATOM 0 HA PHE A 19 0.120 -2.688 -7.976 1.00 0.00 H new ATOM 0 HB2 PHE A 19 1.719 -3.130 -6.146 1.00 0.00 H new ATOM 0 HB3 PHE A 19 1.064 -1.507 -6.067 1.00 0.00 H new ATOM 0 HD1 PHE A 19 0.959 -4.888 -4.489 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -0.323 -0.777 -4.205 1.00 0.00 H new ATOM 0 HE1 PHE A 19 0.444 -5.214 -2.073 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -1.004 -1.159 -1.843 1.00 0.00 H new ATOM 0 HZ PHE A 19 -0.506 -3.335 -0.740 1.00 0.00 H new ATOM 288 N LYS A 20 0.437 -5.207 -7.564 1.00 0.00 N ATOM 289 CA LYS A 20 0.444 -6.663 -7.694 1.00 0.00 C ATOM 290 C LYS A 20 1.548 -7.276 -6.811 1.00 0.00 C ATOM 291 O LYS A 20 2.506 -6.603 -6.436 1.00 0.00 O ATOM 292 CB LYS A 20 0.633 -7.001 -9.186 1.00 0.00 C ATOM 293 CG LYS A 20 0.593 -8.504 -9.506 1.00 0.00 C ATOM 294 CD LYS A 20 0.645 -8.724 -11.025 1.00 0.00 C ATOM 295 CE LYS A 20 0.646 -10.221 -11.364 1.00 0.00 C ATOM 296 NZ LYS A 20 0.713 -10.443 -12.821 1.00 0.00 N ATOM 0 H LYS A 20 1.274 -4.785 -7.966 1.00 0.00 H new ATOM 0 HA LYS A 20 -0.497 -7.091 -7.349 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -0.145 -6.499 -9.761 1.00 0.00 H new ATOM 0 HB3 LYS A 20 1.588 -6.596 -9.520 1.00 0.00 H new ATOM 0 HG2 LYS A 20 1.434 -9.007 -9.029 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -0.316 -8.946 -9.098 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -0.212 -8.241 -11.496 1.00 0.00 H new ATOM 0 HD3 LYS A 20 1.540 -8.254 -11.434 1.00 0.00 H new ATOM 0 HE2 LYS A 20 1.495 -10.704 -10.881 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -0.255 -10.687 -10.965 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 0.712 -11.464 -13.017 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -0.111 -10.002 -13.278 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 1.585 -10.019 -13.197 1.00 0.00 H new ATOM 310 N ARG A 21 1.422 -8.573 -6.491 1.00 0.00 N ATOM 311 CA ARG A 21 2.434 -9.371 -5.793 1.00 0.00 C ATOM 312 C ARG A 21 3.827 -9.230 -6.432 1.00 0.00 C ATOM 313 O ARG A 21 3.971 -9.376 -7.646 1.00 0.00 O ATOM 314 CB ARG A 21 1.990 -10.846 -5.775 1.00 0.00 C ATOM 315 CG ARG A 21 1.008 -11.077 -4.622 1.00 0.00 C ATOM 316 CD ARG A 21 0.246 -12.404 -4.732 1.00 0.00 C ATOM 317 NE ARG A 21 -0.933 -12.261 -5.603 1.00 0.00 N ATOM 318 CZ ARG A 21 -1.107 -12.716 -6.854 1.00 0.00 C ATOM 319 NH1 ARG A 21 -0.158 -13.400 -7.502 1.00 0.00 N ATOM 320 NH2 ARG A 21 -2.270 -12.470 -7.462 1.00 0.00 N ATOM 0 H ARG A 21 0.585 -9.110 -6.720 1.00 0.00 H new ATOM 0 HA ARG A 21 2.519 -8.998 -4.772 1.00 0.00 H new ATOM 0 HB2 ARG A 21 1.519 -11.106 -6.723 1.00 0.00 H new ATOM 0 HB3 ARG A 21 2.858 -11.495 -5.662 1.00 0.00 H new ATOM 0 HG2 ARG A 21 1.554 -11.056 -3.679 1.00 0.00 H new ATOM 0 HG3 ARG A 21 0.292 -10.256 -4.594 1.00 0.00 H new ATOM 0 HD2 ARG A 21 0.906 -13.175 -5.130 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -0.067 -12.732 -3.741 1.00 0.00 H new ATOM 0 HE ARG A 21 -1.720 -11.750 -5.204 1.00 0.00 H new ATOM 0 HH11 ARG A 21 0.734 -13.592 -7.046 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -0.326 -13.730 -8.452 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -2.999 -11.948 -6.976 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -2.429 -12.804 -8.413 1.00 0.00 H new ATOM 334 N GLY A 22 4.842 -8.945 -5.602 1.00 0.00 N ATOM 335 CA GLY A 22 6.229 -8.754 -6.015 1.00 0.00 C ATOM 336 C GLY A 22 6.614 -7.292 -6.291 1.00 0.00 C ATOM 337 O GLY A 22 7.802 -6.975 -6.245 1.00 0.00 O ATOM 0 H GLY A 22 4.710 -8.839 -4.596 1.00 0.00 H new ATOM 0 HA2 GLY A 22 6.884 -9.149 -5.239 1.00 0.00 H new ATOM 0 HA3 GLY A 22 6.411 -9.341 -6.915 1.00 0.00 H new ATOM 341 N ASP A 23 5.647 -6.402 -6.583 1.00 0.00 N ATOM 342 CA ASP A 23 5.884 -5.006 -6.934 1.00 0.00 C ATOM 343 C ASP A 23 6.689 -4.272 -5.848 1.00 0.00 C ATOM 344 O ASP A 23 6.397 -4.380 -4.655 1.00 0.00 O ATOM 345 CB ASP A 23 4.546 -4.290 -7.190 1.00 0.00 C ATOM 346 CG ASP A 23 3.773 -4.760 -8.426 1.00 0.00 C ATOM 347 OD1 ASP A 23 4.178 -5.774 -9.036 1.00 0.00 O ATOM 348 OD2 ASP A 23 2.767 -4.085 -8.738 1.00 0.00 O ATOM 0 H ASP A 23 4.657 -6.649 -6.579 1.00 0.00 H new ATOM 0 HA ASP A 23 6.479 -4.989 -7.847 1.00 0.00 H new ATOM 0 HB2 ASP A 23 3.911 -4.421 -6.314 1.00 0.00 H new ATOM 0 HB3 ASP A 23 4.738 -3.222 -7.288 1.00 0.00 H new ATOM 353 N ILE A 24 7.709 -3.528 -6.295 1.00 0.00 N ATOM 354 CA ILE A 24 8.634 -2.766 -5.460 1.00 0.00 C ATOM 355 C ILE A 24 8.042 -1.383 -5.147 1.00 0.00 C ATOM 356 O ILE A 24 8.140 -0.448 -5.941 1.00 0.00 O ATOM 357 CB ILE A 24 10.062 -2.739 -6.068 1.00 0.00 C ATOM 358 CG1 ILE A 24 10.302 -1.891 -7.340 1.00 0.00 C ATOM 359 CG2 ILE A 24 11.062 -2.275 -4.993 1.00 0.00 C ATOM 360 CD1 ILE A 24 9.352 -2.172 -8.510 1.00 0.00 C ATOM 0 H ILE A 24 7.917 -3.440 -7.290 1.00 0.00 H new ATOM 0 HA ILE A 24 8.759 -3.266 -4.500 1.00 0.00 H new ATOM 0 HB ILE A 24 10.205 -3.768 -6.399 1.00 0.00 H new ATOM 0 HG12 ILE A 24 10.220 -0.837 -7.074 1.00 0.00 H new ATOM 0 HG13 ILE A 24 11.325 -2.056 -7.678 1.00 0.00 H new ATOM 0 HG21 ILE A 24 12.067 -2.254 -5.415 1.00 0.00 H new ATOM 0 HG22 ILE A 24 10.791 -1.276 -4.651 1.00 0.00 H new ATOM 0 HG23 ILE A 24 11.037 -2.966 -4.150 1.00 0.00 H new ATOM 0 HD11 ILE A 24 9.607 -1.525 -9.349 1.00 0.00 H new ATOM 0 HD12 ILE A 24 9.447 -3.215 -8.814 1.00 0.00 H new ATOM 0 HD13 ILE A 24 8.325 -1.977 -8.200 1.00 0.00 H new ATOM 372 N LEU A 25 7.416 -1.269 -3.969 1.00 0.00 N ATOM 373 CA LEU A 25 6.768 -0.070 -3.454 1.00 0.00 C ATOM 374 C LEU A 25 7.792 0.749 -2.665 1.00 0.00 C ATOM 375 O LEU A 25 8.214 0.334 -1.588 1.00 0.00 O ATOM 376 CB LEU A 25 5.585 -0.482 -2.553 1.00 0.00 C ATOM 377 CG LEU A 25 4.399 -1.051 -3.358 1.00 0.00 C ATOM 378 CD1 LEU A 25 3.519 -1.939 -2.471 1.00 0.00 C ATOM 379 CD2 LEU A 25 3.541 0.082 -3.946 1.00 0.00 C ATOM 0 H LEU A 25 7.348 -2.054 -3.321 1.00 0.00 H new ATOM 0 HA LEU A 25 6.387 0.539 -4.273 1.00 0.00 H new ATOM 0 HB2 LEU A 25 5.923 -1.228 -1.834 1.00 0.00 H new ATOM 0 HB3 LEU A 25 5.250 0.383 -1.981 1.00 0.00 H new ATOM 0 HG LEU A 25 4.810 -1.648 -4.172 1.00 0.00 H new ATOM 0 HD11 LEU A 25 2.688 -2.330 -3.058 1.00 0.00 H new ATOM 0 HD12 LEU A 25 4.112 -2.768 -2.084 1.00 0.00 H new ATOM 0 HD13 LEU A 25 3.130 -1.351 -1.639 1.00 0.00 H new ATOM 0 HD21 LEU A 25 2.711 -0.345 -4.509 1.00 0.00 H new ATOM 0 HD22 LEU A 25 3.151 0.700 -3.137 1.00 0.00 H new ATOM 0 HD23 LEU A 25 4.152 0.695 -4.609 1.00 0.00 H new ATOM 391 N LYS A 26 8.141 1.940 -3.171 1.00 0.00 N ATOM 392 CA LYS A 26 9.049 2.871 -2.512 1.00 0.00 C ATOM 393 C LYS A 26 8.164 3.740 -1.616 1.00 0.00 C ATOM 394 O LYS A 26 7.347 4.519 -2.111 1.00 0.00 O ATOM 395 CB LYS A 26 9.816 3.739 -3.532 1.00 0.00 C ATOM 396 CG LYS A 26 10.911 3.003 -4.330 1.00 0.00 C ATOM 397 CD LYS A 26 10.418 2.023 -5.408 1.00 0.00 C ATOM 398 CE LYS A 26 9.629 2.725 -6.524 1.00 0.00 C ATOM 399 NZ LYS A 26 9.148 1.772 -7.540 1.00 0.00 N ATOM 0 H LYS A 26 7.791 2.283 -4.065 1.00 0.00 H new ATOM 0 HA LYS A 26 9.811 2.339 -1.942 1.00 0.00 H new ATOM 0 HB2 LYS A 26 9.099 4.163 -4.235 1.00 0.00 H new ATOM 0 HB3 LYS A 26 10.274 4.574 -3.002 1.00 0.00 H new ATOM 0 HG2 LYS A 26 11.547 3.748 -4.808 1.00 0.00 H new ATOM 0 HG3 LYS A 26 11.537 2.454 -3.627 1.00 0.00 H new ATOM 0 HD2 LYS A 26 11.273 1.505 -5.842 1.00 0.00 H new ATOM 0 HD3 LYS A 26 9.788 1.264 -4.944 1.00 0.00 H new ATOM 0 HE2 LYS A 26 8.780 3.253 -6.091 1.00 0.00 H new ATOM 0 HE3 LYS A 26 10.262 3.474 -7.000 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 8.445 2.238 -8.148 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 9.949 1.450 -8.121 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 8.711 0.954 -7.069 1.00 0.00 H new ATOM 413 N VAL A 27 8.298 3.560 -0.294 1.00 0.00 N ATOM 414 CA VAL A 27 7.390 4.142 0.687 1.00 0.00 C ATOM 415 C VAL A 27 7.894 5.531 1.100 1.00 0.00 C ATOM 416 O VAL A 27 9.091 5.761 1.266 1.00 0.00 O ATOM 417 CB VAL A 27 7.157 3.177 1.869 1.00 0.00 C ATOM 418 CG1 VAL A 27 8.370 3.041 2.795 1.00 0.00 C ATOM 419 CG2 VAL A 27 5.939 3.608 2.699 1.00 0.00 C ATOM 0 H VAL A 27 9.045 3.003 0.120 1.00 0.00 H new ATOM 0 HA VAL A 27 6.406 4.288 0.242 1.00 0.00 H new ATOM 0 HB VAL A 27 6.979 2.202 1.416 1.00 0.00 H new ATOM 0 HG11 VAL A 27 8.135 2.348 3.603 1.00 0.00 H new ATOM 0 HG12 VAL A 27 9.220 2.662 2.228 1.00 0.00 H new ATOM 0 HG13 VAL A 27 8.619 4.016 3.214 1.00 0.00 H new ATOM 0 HG21 VAL A 27 5.797 2.911 3.525 1.00 0.00 H new ATOM 0 HG22 VAL A 27 6.104 4.611 3.094 1.00 0.00 H new ATOM 0 HG23 VAL A 27 5.050 3.608 2.068 1.00 0.00 H new ATOM 429 N LEU A 28 6.945 6.463 1.201 1.00 0.00 N ATOM 430 CA LEU A 28 7.142 7.898 1.370 1.00 0.00 C ATOM 431 C LEU A 28 6.769 8.299 2.805 1.00 0.00 C ATOM 432 O LEU A 28 7.589 8.887 3.509 1.00 0.00 O ATOM 433 CB LEU A 28 6.313 8.664 0.316 1.00 0.00 C ATOM 434 CG LEU A 28 6.467 8.150 -1.135 1.00 0.00 C ATOM 435 CD1 LEU A 28 5.584 8.987 -2.073 1.00 0.00 C ATOM 436 CD2 LEU A 28 7.917 8.169 -1.644 1.00 0.00 C ATOM 0 H LEU A 28 5.956 6.217 1.164 1.00 0.00 H new ATOM 0 HA LEU A 28 8.189 8.158 1.214 1.00 0.00 H new ATOM 0 HB2 LEU A 28 5.261 8.611 0.595 1.00 0.00 H new ATOM 0 HB3 LEU A 28 6.598 9.716 0.345 1.00 0.00 H new ATOM 0 HG LEU A 28 6.151 7.107 -1.130 1.00 0.00 H new ATOM 0 HD11 LEU A 28 5.693 8.624 -3.095 1.00 0.00 H new ATOM 0 HD12 LEU A 28 4.542 8.899 -1.766 1.00 0.00 H new ATOM 0 HD13 LEU A 28 5.890 10.032 -2.024 1.00 0.00 H new ATOM 0 HD21 LEU A 28 7.948 7.795 -2.667 1.00 0.00 H new ATOM 0 HD22 LEU A 28 8.298 9.190 -1.619 1.00 0.00 H new ATOM 0 HD23 LEU A 28 8.534 7.535 -1.007 1.00 0.00 H new ATOM 448 N ASN A 29 5.546 7.950 3.243 1.00 0.00 N ATOM 449 CA ASN A 29 5.075 8.113 4.620 1.00 0.00 C ATOM 450 C ASN A 29 5.018 6.734 5.292 1.00 0.00 C ATOM 451 O ASN A 29 4.233 5.879 4.875 1.00 0.00 O ATOM 452 CB ASN A 29 3.688 8.787 4.665 1.00 0.00 C ATOM 453 CG ASN A 29 3.612 10.152 3.971 1.00 0.00 C ATOM 454 OD1 ASN A 29 4.620 10.737 3.583 1.00 0.00 O ATOM 455 ND2 ASN A 29 2.398 10.678 3.809 1.00 0.00 N ATOM 0 H ASN A 29 4.844 7.537 2.629 1.00 0.00 H new ATOM 0 HA ASN A 29 5.770 8.760 5.155 1.00 0.00 H new ATOM 0 HB2 ASN A 29 2.960 8.120 4.203 1.00 0.00 H new ATOM 0 HB3 ASN A 29 3.393 8.908 5.707 1.00 0.00 H new ATOM 0 HD21 ASN A 29 2.292 11.585 3.355 1.00 0.00 H new ATOM 0 HD22 ASN A 29 1.575 10.174 4.139 1.00 0.00 H new ATOM 462 N GLU A 30 5.829 6.532 6.342 1.00 0.00 N ATOM 463 CA GLU A 30 5.803 5.338 7.187 1.00 0.00 C ATOM 464 C GLU A 30 4.473 5.227 7.959 1.00 0.00 C ATOM 465 O GLU A 30 3.771 6.222 8.149 1.00 0.00 O ATOM 466 CB GLU A 30 7.014 5.335 8.137 1.00 0.00 C ATOM 467 CG GLU A 30 8.338 5.250 7.358 1.00 0.00 C ATOM 468 CD GLU A 30 9.545 5.135 8.288 1.00 0.00 C ATOM 469 OE1 GLU A 30 9.863 3.986 8.668 1.00 0.00 O ATOM 470 OE2 GLU A 30 10.125 6.195 8.608 1.00 0.00 O ATOM 0 H GLU A 30 6.534 7.211 6.629 1.00 0.00 H new ATOM 0 HA GLU A 30 5.872 4.459 6.547 1.00 0.00 H new ATOM 0 HB2 GLU A 30 7.005 6.240 8.744 1.00 0.00 H new ATOM 0 HB3 GLU A 30 6.939 4.491 8.823 1.00 0.00 H new ATOM 0 HG2 GLU A 30 8.311 4.388 6.691 1.00 0.00 H new ATOM 0 HG3 GLU A 30 8.447 6.135 6.731 1.00 0.00 H new ATOM 477 N GLU A 31 4.125 4.002 8.382 1.00 0.00 N ATOM 478 CA GLU A 31 2.840 3.609 8.943 1.00 0.00 C ATOM 479 C GLU A 31 2.310 4.567 10.022 1.00 0.00 C ATOM 480 O GLU A 31 1.366 5.322 9.788 1.00 0.00 O ATOM 481 CB GLU A 31 2.976 2.152 9.445 1.00 0.00 C ATOM 482 CG GLU A 31 1.756 1.320 9.076 1.00 0.00 C ATOM 483 CD GLU A 31 0.524 1.680 9.904 1.00 0.00 C ATOM 484 OE1 GLU A 31 -0.187 2.615 9.479 1.00 0.00 O ATOM 485 OE2 GLU A 31 0.313 1.021 10.944 1.00 0.00 O ATOM 0 H GLU A 31 4.777 3.219 8.335 1.00 0.00 H new ATOM 0 HA GLU A 31 2.080 3.668 8.164 1.00 0.00 H new ATOM 0 HB2 GLU A 31 3.870 1.700 9.015 1.00 0.00 H new ATOM 0 HB3 GLU A 31 3.106 2.149 10.527 1.00 0.00 H new ATOM 0 HG2 GLU A 31 1.532 1.461 8.019 1.00 0.00 H new ATOM 0 HG3 GLU A 31 1.986 0.264 9.215 1.00 0.00 H new ATOM 492 N SER A 32 2.932 4.518 11.207 1.00 0.00 N ATOM 493 CA SER A 32 2.536 5.242 12.417 1.00 0.00 C ATOM 494 C SER A 32 1.106 4.860 12.861 1.00 0.00 C ATOM 495 O SER A 32 0.594 3.805 12.483 1.00 0.00 O ATOM 496 CB SER A 32 2.741 6.757 12.205 1.00 0.00 C ATOM 497 OG SER A 32 2.644 7.460 13.429 1.00 0.00 O ATOM 0 H SER A 32 3.763 3.945 11.353 1.00 0.00 H new ATOM 0 HA SER A 32 3.177 4.947 13.248 1.00 0.00 H new ATOM 0 HB2 SER A 32 3.718 6.936 11.756 1.00 0.00 H new ATOM 0 HB3 SER A 32 1.995 7.134 11.505 1.00 0.00 H new ATOM 0 HG SER A 32 2.779 8.417 13.268 1.00 0.00 H new ATOM 503 N ASP A 33 0.446 5.719 13.651 1.00 0.00 N ATOM 504 CA ASP A 33 -0.965 5.572 13.998 1.00 0.00 C ATOM 505 C ASP A 33 -1.827 6.042 12.816 1.00 0.00 C ATOM 506 O ASP A 33 -2.342 7.160 12.804 1.00 0.00 O ATOM 507 CB ASP A 33 -1.269 6.307 15.314 1.00 0.00 C ATOM 508 CG ASP A 33 -2.741 6.182 15.721 1.00 0.00 C ATOM 509 OD1 ASP A 33 -3.262 5.047 15.661 1.00 0.00 O ATOM 510 OD2 ASP A 33 -3.348 7.227 16.039 1.00 0.00 O ATOM 0 H ASP A 33 0.885 6.540 14.068 1.00 0.00 H new ATOM 0 HA ASP A 33 -1.211 4.525 14.177 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -0.639 5.904 16.107 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -1.012 7.361 15.207 1.00 0.00 H new ATOM 515 N GLN A 34 -1.974 5.157 11.823 1.00 0.00 N ATOM 516 CA GLN A 34 -2.775 5.363 10.619 1.00 0.00 C ATOM 517 C GLN A 34 -3.570 4.089 10.289 1.00 0.00 C ATOM 518 O GLN A 34 -4.799 4.135 10.279 1.00 0.00 O ATOM 519 CB GLN A 34 -1.871 5.828 9.460 1.00 0.00 C ATOM 520 CG GLN A 34 -2.697 6.362 8.274 1.00 0.00 C ATOM 521 CD GLN A 34 -1.854 6.765 7.060 1.00 0.00 C ATOM 522 OE1 GLN A 34 -2.231 6.490 5.924 1.00 0.00 O ATOM 523 NE2 GLN A 34 -0.718 7.431 7.271 1.00 0.00 N ATOM 0 H GLN A 34 -1.519 4.244 11.840 1.00 0.00 H new ATOM 0 HA GLN A 34 -3.506 6.154 10.787 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -1.197 6.608 9.814 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -1.250 4.997 9.126 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -3.412 5.598 7.969 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -3.274 7.225 8.606 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -0.424 7.649 8.223 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -0.143 7.723 6.480 1.00 0.00 H new ATOM 532 N ASN A 35 -2.852 2.980 10.034 1.00 0.00 N ATOM 533 CA ASN A 35 -3.279 1.671 9.511 1.00 0.00 C ATOM 534 C ASN A 35 -2.895 1.482 8.023 1.00 0.00 C ATOM 535 O ASN A 35 -3.002 0.373 7.494 1.00 0.00 O ATOM 536 CB ASN A 35 -4.775 1.389 9.773 1.00 0.00 C ATOM 537 CG ASN A 35 -5.188 -0.064 9.528 1.00 0.00 C ATOM 538 OD1 ASN A 35 -4.435 -0.996 9.802 1.00 0.00 O ATOM 539 ND2 ASN A 35 -6.402 -0.267 9.021 1.00 0.00 N ATOM 0 H ASN A 35 -1.847 2.981 10.209 1.00 0.00 H new ATOM 0 HA ASN A 35 -2.725 0.919 10.073 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -5.008 1.653 10.804 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -5.374 2.038 9.134 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -6.731 -1.217 8.849 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -7.004 0.528 8.804 1.00 0.00 H new ATOM 546 N TRP A 36 -2.475 2.559 7.338 1.00 0.00 N ATOM 547 CA TRP A 36 -2.033 2.584 5.945 1.00 0.00 C ATOM 548 C TRP A 36 -0.714 3.378 5.824 1.00 0.00 C ATOM 549 O TRP A 36 -0.381 4.191 6.686 1.00 0.00 O ATOM 550 CB TRP A 36 -3.138 3.194 5.052 1.00 0.00 C ATOM 551 CG TRP A 36 -4.380 2.382 4.792 1.00 0.00 C ATOM 552 CD1 TRP A 36 -5.190 1.789 5.700 1.00 0.00 C ATOM 553 CD2 TRP A 36 -5.000 2.115 3.503 1.00 0.00 C ATOM 554 NE1 TRP A 36 -6.224 1.133 5.065 1.00 0.00 N ATOM 555 CE2 TRP A 36 -6.166 1.316 3.703 1.00 0.00 C ATOM 556 CE3 TRP A 36 -4.687 2.479 2.177 1.00 0.00 C ATOM 557 CZ2 TRP A 36 -6.980 0.898 2.635 1.00 0.00 C ATOM 558 CZ3 TRP A 36 -5.429 1.972 1.089 1.00 0.00 C ATOM 559 CH2 TRP A 36 -6.595 1.212 1.318 1.00 0.00 C ATOM 0 H TRP A 36 -2.435 3.482 7.770 1.00 0.00 H new ATOM 0 HA TRP A 36 -1.847 1.565 5.605 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -3.447 4.137 5.503 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -2.690 3.434 4.087 1.00 0.00 H new ATOM 0 HD1 TRP A 36 -5.047 1.824 6.770 1.00 0.00 H new ATOM 0 HE1 TRP A 36 -6.938 0.584 5.543 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -3.867 3.156 1.991 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 -7.888 0.344 2.823 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -5.103 2.166 0.078 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -7.191 0.872 0.484 1.00 0.00 H new ATOM 570 N TYR A 37 0.028 3.151 4.731 1.00 0.00 N ATOM 571 CA TYR A 37 1.206 3.922 4.317 1.00 0.00 C ATOM 572 C TYR A 37 0.877 4.798 3.096 1.00 0.00 C ATOM 573 O TYR A 37 -0.180 4.650 2.484 1.00 0.00 O ATOM 574 CB TYR A 37 2.334 2.960 3.894 1.00 0.00 C ATOM 575 CG TYR A 37 2.809 1.944 4.914 1.00 0.00 C ATOM 576 CD1 TYR A 37 2.232 0.653 4.970 1.00 0.00 C ATOM 577 CD2 TYR A 37 3.998 2.207 5.621 1.00 0.00 C ATOM 578 CE1 TYR A 37 2.808 -0.336 5.799 1.00 0.00 C ATOM 579 CE2 TYR A 37 4.580 1.217 6.438 1.00 0.00 C ATOM 580 CZ TYR A 37 3.975 -0.052 6.539 1.00 0.00 C ATOM 581 OH TYR A 37 4.530 -1.006 7.340 1.00 0.00 O ATOM 0 H TYR A 37 -0.187 2.392 4.084 1.00 0.00 H new ATOM 0 HA TYR A 37 1.511 4.543 5.159 1.00 0.00 H new ATOM 0 HB2 TYR A 37 1.999 2.417 3.010 1.00 0.00 H new ATOM 0 HB3 TYR A 37 3.192 3.560 3.593 1.00 0.00 H new ATOM 0 HD1 TYR A 37 1.355 0.425 4.382 1.00 0.00 H new ATOM 0 HD2 TYR A 37 4.468 3.176 5.536 1.00 0.00 H new ATOM 0 HE1 TYR A 37 2.353 -1.313 5.866 1.00 0.00 H new ATOM 0 HE2 TYR A 37 5.487 1.430 6.985 1.00 0.00 H new ATOM 0 HH TYR A 37 5.506 -0.968 7.265 1.00 0.00 H new ATOM 591 N LYS A 38 1.817 5.679 2.717 1.00 0.00 N ATOM 592 CA LYS A 38 1.795 6.423 1.456 1.00 0.00 C ATOM 593 C LYS A 38 3.011 5.948 0.653 1.00 0.00 C ATOM 594 O LYS A 38 4.136 6.094 1.131 1.00 0.00 O ATOM 595 CB LYS A 38 1.824 7.946 1.662 1.00 0.00 C ATOM 596 CG LYS A 38 1.516 8.638 0.325 1.00 0.00 C ATOM 597 CD LYS A 38 1.708 10.159 0.385 1.00 0.00 C ATOM 598 CE LYS A 38 1.447 10.732 -1.015 1.00 0.00 C ATOM 599 NZ LYS A 38 1.833 12.147 -1.134 1.00 0.00 N ATOM 0 H LYS A 38 2.629 5.896 3.294 1.00 0.00 H new ATOM 0 HA LYS A 38 0.863 6.228 0.925 1.00 0.00 H new ATOM 0 HB2 LYS A 38 1.092 8.238 2.415 1.00 0.00 H new ATOM 0 HB3 LYS A 38 2.801 8.257 2.031 1.00 0.00 H new ATOM 0 HG2 LYS A 38 2.162 8.225 -0.450 1.00 0.00 H new ATOM 0 HG3 LYS A 38 0.489 8.417 0.035 1.00 0.00 H new ATOM 0 HD2 LYS A 38 1.024 10.600 1.110 1.00 0.00 H new ATOM 0 HD3 LYS A 38 2.719 10.402 0.713 1.00 0.00 H new ATOM 0 HE2 LYS A 38 1.999 10.147 -1.751 1.00 0.00 H new ATOM 0 HE3 LYS A 38 0.389 10.628 -1.254 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 2.108 12.350 -2.116 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 1.029 12.750 -0.868 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 2.636 12.342 -0.502 1.00 0.00 H new ATOM 613 N ALA A 39 2.793 5.366 -0.536 1.00 0.00 N ATOM 614 CA ALA A 39 3.840 4.745 -1.351 1.00 0.00 C ATOM 615 C ALA A 39 3.718 5.097 -2.839 1.00 0.00 C ATOM 616 O ALA A 39 2.813 5.823 -3.247 1.00 0.00 O ATOM 617 CB ALA A 39 3.821 3.229 -1.124 1.00 0.00 C ATOM 0 H ALA A 39 1.868 5.315 -0.962 1.00 0.00 H new ATOM 0 HA ALA A 39 4.803 5.146 -1.034 1.00 0.00 H new ATOM 0 HB1 ALA A 39 4.598 2.761 -1.728 1.00 0.00 H new ATOM 0 HB2 ALA A 39 4.003 3.017 -0.070 1.00 0.00 H new ATOM 0 HB3 ALA A 39 2.848 2.830 -1.412 1.00 0.00 H new ATOM 623 N GLU A 40 4.672 4.601 -3.638 1.00 0.00 N ATOM 624 CA GLU A 40 4.869 4.964 -5.038 1.00 0.00 C ATOM 625 C GLU A 40 5.472 3.784 -5.824 1.00 0.00 C ATOM 626 O GLU A 40 6.366 3.101 -5.326 1.00 0.00 O ATOM 627 CB GLU A 40 5.756 6.220 -5.058 1.00 0.00 C ATOM 628 CG GLU A 40 6.163 6.677 -6.462 1.00 0.00 C ATOM 629 CD GLU A 40 6.875 8.029 -6.422 1.00 0.00 C ATOM 630 OE1 GLU A 40 8.108 8.018 -6.213 1.00 0.00 O ATOM 631 OE2 GLU A 40 6.173 9.049 -6.594 1.00 0.00 O ATOM 0 H GLU A 40 5.349 3.912 -3.311 1.00 0.00 H new ATOM 0 HA GLU A 40 3.924 5.188 -5.533 1.00 0.00 H new ATOM 0 HB2 GLU A 40 5.226 7.033 -4.562 1.00 0.00 H new ATOM 0 HB3 GLU A 40 6.657 6.025 -4.476 1.00 0.00 H new ATOM 0 HG2 GLU A 40 6.818 5.932 -6.914 1.00 0.00 H new ATOM 0 HG3 GLU A 40 5.278 6.748 -7.094 1.00 0.00 H new ATOM 638 N LEU A 41 4.989 3.556 -7.058 1.00 0.00 N ATOM 639 CA LEU A 41 5.562 2.615 -8.029 1.00 0.00 C ATOM 640 C LEU A 41 6.225 3.409 -9.168 1.00 0.00 C ATOM 641 O LEU A 41 7.412 3.728 -9.093 1.00 0.00 O ATOM 642 CB LEU A 41 4.489 1.644 -8.569 1.00 0.00 C ATOM 643 CG LEU A 41 3.980 0.568 -7.599 1.00 0.00 C ATOM 644 CD1 LEU A 41 2.985 -0.315 -8.360 1.00 0.00 C ATOM 645 CD2 LEU A 41 5.101 -0.320 -7.047 1.00 0.00 C ATOM 0 H LEU A 41 4.164 4.038 -7.415 1.00 0.00 H new ATOM 0 HA LEU A 41 6.317 2.005 -7.534 1.00 0.00 H new ATOM 0 HB2 LEU A 41 3.634 2.233 -8.902 1.00 0.00 H new ATOM 0 HB3 LEU A 41 4.894 1.144 -9.449 1.00 0.00 H new ATOM 0 HG LEU A 41 3.522 1.072 -6.748 1.00 0.00 H new ATOM 0 HD11 LEU A 41 2.605 -1.091 -7.696 1.00 0.00 H new ATOM 0 HD12 LEU A 41 2.155 0.296 -8.717 1.00 0.00 H new ATOM 0 HD13 LEU A 41 3.486 -0.779 -9.210 1.00 0.00 H new ATOM 0 HD21 LEU A 41 4.678 -1.060 -6.368 1.00 0.00 H new ATOM 0 HD22 LEU A 41 5.602 -0.828 -7.871 1.00 0.00 H new ATOM 0 HD23 LEU A 41 5.822 0.296 -6.509 1.00 0.00 H new ATOM 657 N ASN A 42 5.448 3.700 -10.221 1.00 0.00 N ATOM 658 CA ASN A 42 5.808 4.455 -11.416 1.00 0.00 C ATOM 659 C ASN A 42 6.205 5.913 -11.117 1.00 0.00 C ATOM 660 O ASN A 42 7.135 6.440 -11.726 1.00 0.00 O ATOM 661 CB ASN A 42 4.614 4.389 -12.390 1.00 0.00 C ATOM 662 CG ASN A 42 4.775 5.248 -13.647 1.00 0.00 C ATOM 663 OD1 ASN A 42 3.990 6.166 -13.880 1.00 0.00 O ATOM 664 ND2 ASN A 42 5.784 4.957 -14.467 1.00 0.00 N ATOM 0 H ASN A 42 4.478 3.387 -10.256 1.00 0.00 H new ATOM 0 HA ASN A 42 6.696 4.006 -11.860 1.00 0.00 H new ATOM 0 HB2 ASN A 42 4.463 3.352 -12.690 1.00 0.00 H new ATOM 0 HB3 ASN A 42 3.713 4.703 -11.863 1.00 0.00 H new ATOM 0 HD21 ASN A 42 5.923 5.502 -15.318 1.00 0.00 H new ATOM 0 HD22 ASN A 42 6.417 4.189 -14.244 1.00 0.00 H new ATOM 671 N GLY A 43 5.454 6.561 -10.221 1.00 0.00 N ATOM 672 CA GLY A 43 5.507 7.995 -9.938 1.00 0.00 C ATOM 673 C GLY A 43 4.178 8.557 -9.397 1.00 0.00 C ATOM 674 O GLY A 43 4.134 9.710 -8.974 1.00 0.00 O ATOM 0 H GLY A 43 4.762 6.077 -9.649 1.00 0.00 H new ATOM 0 HA2 GLY A 43 6.297 8.186 -9.212 1.00 0.00 H new ATOM 0 HA3 GLY A 43 5.775 8.529 -10.850 1.00 0.00 H new ATOM 678 N LYS A 44 3.099 7.756 -9.413 1.00 0.00 N ATOM 679 CA LYS A 44 1.769 8.096 -8.918 1.00 0.00 C ATOM 680 C LYS A 44 1.716 7.696 -7.436 1.00 0.00 C ATOM 681 O LYS A 44 1.609 6.514 -7.109 1.00 0.00 O ATOM 682 CB LYS A 44 0.710 7.361 -9.764 1.00 0.00 C ATOM 683 CG LYS A 44 0.821 7.716 -11.258 1.00 0.00 C ATOM 684 CD LYS A 44 -0.254 6.994 -12.086 1.00 0.00 C ATOM 685 CE LYS A 44 -0.122 7.289 -13.589 1.00 0.00 C ATOM 686 NZ LYS A 44 1.086 6.677 -14.181 1.00 0.00 N ATOM 0 H LYS A 44 3.141 6.810 -9.791 1.00 0.00 H new ATOM 0 HA LYS A 44 1.560 9.162 -9.003 1.00 0.00 H new ATOM 0 HB2 LYS A 44 0.827 6.285 -9.637 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -0.286 7.618 -9.403 1.00 0.00 H new ATOM 0 HG2 LYS A 44 0.719 8.794 -11.386 1.00 0.00 H new ATOM 0 HG3 LYS A 44 1.810 7.444 -11.626 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -0.178 5.919 -11.920 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -1.242 7.300 -11.742 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -1.005 6.917 -14.108 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -0.092 8.368 -13.743 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 1.138 6.919 -15.191 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 1.932 7.037 -13.694 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 1.039 5.644 -14.075 1.00 0.00 H new ATOM 700 N ASP A 45 1.823 8.686 -6.542 1.00 0.00 N ATOM 701 CA ASP A 45 2.015 8.509 -5.111 1.00 0.00 C ATOM 702 C ASP A 45 0.688 8.413 -4.336 1.00 0.00 C ATOM 703 O ASP A 45 0.264 9.364 -3.680 1.00 0.00 O ATOM 704 CB ASP A 45 2.952 9.627 -4.618 1.00 0.00 C ATOM 705 CG ASP A 45 2.437 11.058 -4.838 1.00 0.00 C ATOM 706 OD1 ASP A 45 2.140 11.390 -6.006 1.00 0.00 O ATOM 707 OD2 ASP A 45 2.351 11.801 -3.834 1.00 0.00 O ATOM 0 H ASP A 45 1.775 9.668 -6.814 1.00 0.00 H new ATOM 0 HA ASP A 45 2.487 7.546 -4.915 1.00 0.00 H new ATOM 0 HB2 ASP A 45 3.134 9.483 -3.553 1.00 0.00 H new ATOM 0 HB3 ASP A 45 3.913 9.522 -5.122 1.00 0.00 H new ATOM 712 N GLY A 46 0.053 7.234 -4.392 1.00 0.00 N ATOM 713 CA GLY A 46 -1.170 6.906 -3.648 1.00 0.00 C ATOM 714 C GLY A 46 -0.912 6.065 -2.386 1.00 0.00 C ATOM 715 O GLY A 46 0.199 5.590 -2.150 1.00 0.00 O ATOM 0 H GLY A 46 0.385 6.463 -4.971 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -1.672 7.831 -3.363 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -1.851 6.363 -4.304 1.00 0.00 H new ATOM 719 N PHE A 47 -1.957 5.878 -1.564 1.00 0.00 N ATOM 720 CA PHE A 47 -1.887 5.166 -0.285 1.00 0.00 C ATOM 721 C PHE A 47 -2.159 3.657 -0.442 1.00 0.00 C ATOM 722 O PHE A 47 -2.829 3.229 -1.383 1.00 0.00 O ATOM 723 CB PHE A 47 -2.830 5.820 0.744 1.00 0.00 C ATOM 724 CG PHE A 47 -2.375 7.171 1.289 1.00 0.00 C ATOM 725 CD1 PHE A 47 -2.393 8.324 0.470 1.00 0.00 C ATOM 726 CD2 PHE A 47 -1.980 7.290 2.643 1.00 0.00 C ATOM 727 CE1 PHE A 47 -2.026 9.580 0.999 1.00 0.00 C ATOM 728 CE2 PHE A 47 -1.609 8.545 3.171 1.00 0.00 C ATOM 729 CZ PHE A 47 -1.632 9.690 2.349 1.00 0.00 C ATOM 0 H PHE A 47 -2.892 6.226 -1.777 1.00 0.00 H new ATOM 0 HA PHE A 47 -0.867 5.250 0.090 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -3.810 5.945 0.284 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -2.956 5.134 1.582 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -2.689 8.243 -0.565 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -1.962 6.415 3.276 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -2.047 10.457 0.370 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -1.307 8.628 4.205 1.00 0.00 H new ATOM 0 HZ PHE A 47 -1.348 10.651 2.753 1.00 0.00 H new ATOM 739 N ILE A 48 -1.610 2.856 0.487 1.00 0.00 N ATOM 740 CA ILE A 48 -1.616 1.390 0.483 1.00 0.00 C ATOM 741 C ILE A 48 -2.023 0.835 1.866 1.00 0.00 C ATOM 742 O ILE A 48 -1.619 1.394 2.885 1.00 0.00 O ATOM 743 CB ILE A 48 -0.226 0.856 0.059 1.00 0.00 C ATOM 744 CG1 ILE A 48 0.900 1.223 1.041 1.00 0.00 C ATOM 745 CG2 ILE A 48 0.154 1.374 -1.334 1.00 0.00 C ATOM 746 CD1 ILE A 48 2.237 0.561 0.689 1.00 0.00 C ATOM 0 H ILE A 48 -1.127 3.237 1.301 1.00 0.00 H new ATOM 0 HA ILE A 48 -2.356 1.047 -0.240 1.00 0.00 H new ATOM 0 HB ILE A 48 -0.322 -0.230 0.054 1.00 0.00 H new ATOM 0 HG12 ILE A 48 1.028 2.305 1.051 1.00 0.00 H new ATOM 0 HG13 ILE A 48 0.608 0.927 2.048 1.00 0.00 H new ATOM 0 HG21 ILE A 48 1.134 0.986 -1.611 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -0.587 1.041 -2.061 1.00 0.00 H new ATOM 0 HG23 ILE A 48 0.185 2.463 -1.321 1.00 0.00 H new ATOM 0 HD11 ILE A 48 2.992 0.857 1.417 1.00 0.00 H new ATOM 0 HD12 ILE A 48 2.122 -0.523 0.706 1.00 0.00 H new ATOM 0 HD13 ILE A 48 2.549 0.877 -0.306 1.00 0.00 H new ATOM 758 N PRO A 49 -2.799 -0.265 1.936 1.00 0.00 N ATOM 759 CA PRO A 49 -3.164 -0.917 3.192 1.00 0.00 C ATOM 760 C PRO A 49 -1.966 -1.669 3.799 1.00 0.00 C ATOM 761 O PRO A 49 -1.246 -2.369 3.086 1.00 0.00 O ATOM 762 CB PRO A 49 -4.315 -1.864 2.836 1.00 0.00 C ATOM 763 CG PRO A 49 -4.079 -2.197 1.367 1.00 0.00 C ATOM 764 CD PRO A 49 -3.399 -0.955 0.804 1.00 0.00 C ATOM 0 HA PRO A 49 -3.466 -0.197 3.952 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -4.300 -2.761 3.456 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -5.284 -1.388 2.987 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -3.450 -3.080 1.255 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -5.016 -2.406 0.851 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -2.641 -1.227 0.069 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -4.120 -0.314 0.296 1.00 0.00 H new ATOM 772 N LYS A 50 -1.763 -1.523 5.120 1.00 0.00 N ATOM 773 CA LYS A 50 -0.640 -2.088 5.873 1.00 0.00 C ATOM 774 C LYS A 50 -0.381 -3.580 5.594 1.00 0.00 C ATOM 775 O LYS A 50 0.744 -3.966 5.279 1.00 0.00 O ATOM 776 CB LYS A 50 -0.871 -1.827 7.373 1.00 0.00 C ATOM 777 CG LYS A 50 0.169 -2.469 8.307 1.00 0.00 C ATOM 778 CD LYS A 50 -0.087 -2.105 9.782 1.00 0.00 C ATOM 779 CE LYS A 50 -1.028 -3.059 10.537 1.00 0.00 C ATOM 780 NZ LYS A 50 -2.407 -3.056 10.014 1.00 0.00 N ATOM 0 H LYS A 50 -2.401 -0.989 5.709 1.00 0.00 H new ATOM 0 HA LYS A 50 0.267 -1.586 5.535 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -0.876 -0.750 7.544 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -1.860 -2.197 7.644 1.00 0.00 H new ATOM 0 HG2 LYS A 50 0.143 -3.552 8.190 1.00 0.00 H new ATOM 0 HG3 LYS A 50 1.168 -2.141 8.019 1.00 0.00 H new ATOM 0 HD2 LYS A 50 0.870 -2.075 10.304 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -0.505 -1.099 9.824 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -0.628 -4.072 10.481 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -1.046 -2.781 11.591 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -3.058 -3.400 10.749 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -2.673 -2.088 9.741 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -2.464 -3.678 9.182 1.00 0.00 H new ATOM 794 N ASN A 51 -1.416 -4.415 5.748 1.00 0.00 N ATOM 795 CA ASN A 51 -1.331 -5.879 5.736 1.00 0.00 C ATOM 796 C ASN A 51 -0.797 -6.479 4.417 1.00 0.00 C ATOM 797 O ASN A 51 -0.310 -7.609 4.420 1.00 0.00 O ATOM 798 CB ASN A 51 -2.719 -6.472 6.060 1.00 0.00 C ATOM 799 CG ASN A 51 -3.283 -6.085 7.431 1.00 0.00 C ATOM 800 OD1 ASN A 51 -2.858 -5.118 8.060 1.00 0.00 O ATOM 801 ND2 ASN A 51 -4.264 -6.850 7.904 1.00 0.00 N ATOM 0 H ASN A 51 -2.368 -4.077 5.889 1.00 0.00 H new ATOM 0 HA ASN A 51 -0.599 -6.149 6.497 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -3.423 -6.153 5.291 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -2.656 -7.559 6.003 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -4.683 -6.640 8.810 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -4.597 -7.646 7.360 1.00 0.00 H new ATOM 808 N TYR A 52 -0.908 -5.752 3.295 1.00 0.00 N ATOM 809 CA TYR A 52 -0.653 -6.250 1.944 1.00 0.00 C ATOM 810 C TYR A 52 0.834 -6.285 1.537 1.00 0.00 C ATOM 811 O TYR A 52 1.147 -6.878 0.503 1.00 0.00 O ATOM 812 CB TYR A 52 -1.500 -5.438 0.945 1.00 0.00 C ATOM 813 CG TYR A 52 -2.994 -5.753 0.941 1.00 0.00 C ATOM 814 CD1 TYR A 52 -3.771 -5.563 2.107 1.00 0.00 C ATOM 815 CD2 TYR A 52 -3.620 -6.235 -0.234 1.00 0.00 C ATOM 816 CE1 TYR A 52 -5.135 -5.908 2.115 1.00 0.00 C ATOM 817 CE2 TYR A 52 -4.998 -6.532 -0.238 1.00 0.00 C ATOM 818 CZ TYR A 52 -5.750 -6.388 0.944 1.00 0.00 C ATOM 819 OH TYR A 52 -7.071 -6.711 0.966 1.00 0.00 O ATOM 0 H TYR A 52 -1.187 -4.771 3.308 1.00 0.00 H new ATOM 0 HA TYR A 52 -0.951 -7.298 1.929 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -1.371 -4.378 1.163 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -1.108 -5.607 -0.058 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -3.315 -5.151 2.995 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -3.038 -6.376 -1.133 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -5.711 -5.804 3.022 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -5.476 -6.869 -1.146 1.00 0.00 H new ATOM 0 HH TYR A 52 -7.334 -7.071 0.093 1.00 0.00 H new ATOM 829 N ILE A 53 1.744 -5.670 2.314 1.00 0.00 N ATOM 830 CA ILE A 53 3.177 -5.574 2.008 1.00 0.00 C ATOM 831 C ILE A 53 4.059 -6.243 3.077 1.00 0.00 C ATOM 832 O ILE A 53 3.590 -6.627 4.149 1.00 0.00 O ATOM 833 CB ILE A 53 3.583 -4.099 1.785 1.00 0.00 C ATOM 834 CG1 ILE A 53 3.592 -3.291 3.098 1.00 0.00 C ATOM 835 CG2 ILE A 53 2.707 -3.444 0.706 1.00 0.00 C ATOM 836 CD1 ILE A 53 4.016 -1.833 2.897 1.00 0.00 C ATOM 0 H ILE A 53 1.494 -5.216 3.193 1.00 0.00 H new ATOM 0 HA ILE A 53 3.348 -6.127 1.084 1.00 0.00 H new ATOM 0 HB ILE A 53 4.610 -4.094 1.420 1.00 0.00 H new ATOM 0 HG12 ILE A 53 2.597 -3.317 3.542 1.00 0.00 H new ATOM 0 HG13 ILE A 53 4.269 -3.767 3.807 1.00 0.00 H new ATOM 0 HG21 ILE A 53 3.013 -2.407 0.569 1.00 0.00 H new ATOM 0 HG22 ILE A 53 2.823 -3.984 -0.234 1.00 0.00 H new ATOM 0 HG23 ILE A 53 1.663 -3.476 1.017 1.00 0.00 H new ATOM 0 HD11 ILE A 53 4.003 -1.315 3.856 1.00 0.00 H new ATOM 0 HD12 ILE A 53 5.023 -1.801 2.481 1.00 0.00 H new ATOM 0 HD13 ILE A 53 3.324 -1.344 2.211 1.00 0.00 H new ATOM 848 N GLU A 54 5.360 -6.350 2.771 1.00 0.00 N ATOM 849 CA GLU A 54 6.407 -6.849 3.658 1.00 0.00 C ATOM 850 C GLU A 54 6.811 -5.764 4.670 1.00 0.00 C ATOM 851 O GLU A 54 6.471 -5.856 5.848 1.00 0.00 O ATOM 852 CB GLU A 54 7.585 -7.353 2.797 1.00 0.00 C ATOM 853 CG GLU A 54 8.780 -7.877 3.612 1.00 0.00 C ATOM 854 CD GLU A 54 8.401 -8.988 4.594 1.00 0.00 C ATOM 855 OE1 GLU A 54 7.908 -10.032 4.114 1.00 0.00 O ATOM 856 OE2 GLU A 54 8.601 -8.776 5.810 1.00 0.00 O ATOM 0 H GLU A 54 5.721 -6.078 1.857 1.00 0.00 H new ATOM 0 HA GLU A 54 6.047 -7.690 4.250 1.00 0.00 H new ATOM 0 HB2 GLU A 54 7.228 -8.149 2.143 1.00 0.00 H new ATOM 0 HB3 GLU A 54 7.925 -6.541 2.155 1.00 0.00 H new ATOM 0 HG2 GLU A 54 9.542 -8.250 2.928 1.00 0.00 H new ATOM 0 HG3 GLU A 54 9.225 -7.049 4.164 1.00 0.00 H new ATOM 863 N MET A 55 7.532 -4.742 4.186 1.00 0.00 N ATOM 864 CA MET A 55 8.056 -3.585 4.914 1.00 0.00 C ATOM 865 C MET A 55 8.705 -3.995 6.246 1.00 0.00 C ATOM 866 O MET A 55 8.144 -3.803 7.324 1.00 0.00 O ATOM 867 CB MET A 55 6.958 -2.517 5.030 1.00 0.00 C ATOM 868 CG MET A 55 7.477 -1.090 5.290 1.00 0.00 C ATOM 869 SD MET A 55 8.133 -0.717 6.940 1.00 0.00 S ATOM 870 CE MET A 55 8.711 0.979 6.670 1.00 0.00 C ATOM 0 H MET A 55 7.781 -4.703 3.198 1.00 0.00 H new ATOM 0 HA MET A 55 8.874 -3.130 4.355 1.00 0.00 H new ATOM 0 HB2 MET A 55 6.373 -2.515 4.110 1.00 0.00 H new ATOM 0 HB3 MET A 55 6.281 -2.796 5.838 1.00 0.00 H new ATOM 0 HG2 MET A 55 8.261 -0.881 4.562 1.00 0.00 H new ATOM 0 HG3 MET A 55 6.662 -0.395 5.089 1.00 0.00 H new ATOM 0 HE1 MET A 55 9.147 1.366 7.591 1.00 0.00 H new ATOM 0 HE2 MET A 55 9.464 0.986 5.882 1.00 0.00 H new ATOM 0 HE3 MET A 55 7.871 1.607 6.375 1.00 0.00 H new ATOM 880 N LYS A 56 9.898 -4.590 6.137 1.00 0.00 N ATOM 881 CA LYS A 56 10.671 -5.150 7.244 1.00 0.00 C ATOM 882 C LYS A 56 11.602 -4.084 7.838 1.00 0.00 C ATOM 883 O LYS A 56 11.556 -3.835 9.040 1.00 0.00 O ATOM 884 CB LYS A 56 11.445 -6.382 6.741 1.00 0.00 C ATOM 885 CG LYS A 56 12.159 -7.127 7.881 1.00 0.00 C ATOM 886 CD LYS A 56 12.831 -8.403 7.353 1.00 0.00 C ATOM 887 CE LYS A 56 13.539 -9.158 8.487 1.00 0.00 C ATOM 888 NZ LYS A 56 14.183 -10.391 7.997 1.00 0.00 N ATOM 889 OXT LYS A 56 12.455 -3.465 6.974 1.00 0.00 O ATOM 0 H LYS A 56 10.368 -4.697 5.238 1.00 0.00 H new ATOM 0 HA LYS A 56 10.004 -5.469 8.045 1.00 0.00 H new ATOM 0 HB2 LYS A 56 10.756 -7.062 6.241 1.00 0.00 H new ATOM 0 HB3 LYS A 56 12.179 -6.069 5.998 1.00 0.00 H new ATOM 0 HG2 LYS A 56 12.906 -6.477 8.336 1.00 0.00 H new ATOM 0 HG3 LYS A 56 11.442 -7.383 8.661 1.00 0.00 H new ATOM 0 HD2 LYS A 56 12.083 -9.049 6.892 1.00 0.00 H new ATOM 0 HD3 LYS A 56 13.552 -8.145 6.577 1.00 0.00 H new ATOM 0 HE2 LYS A 56 14.289 -8.511 8.943 1.00 0.00 H new ATOM 0 HE3 LYS A 56 12.818 -9.408 9.265 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 14.652 -10.876 8.789 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 13.463 -11.018 7.584 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 14.889 -10.150 7.272 1.00 0.00 H new TER 904 LYS A 56 ATOM 905 N VAL B 1 -11.973 -16.728 -1.210 1.00 0.00 N ATOM 906 CA VAL B 1 -12.124 -15.434 -0.510 1.00 0.00 C ATOM 907 C VAL B 1 -10.852 -14.575 -0.673 1.00 0.00 C ATOM 908 O VAL B 1 -9.882 -14.808 0.048 1.00 0.00 O ATOM 909 CB VAL B 1 -12.497 -15.635 0.979 1.00 0.00 C ATOM 910 CG1 VAL B 1 -12.704 -14.286 1.693 1.00 0.00 C ATOM 911 CG2 VAL B 1 -13.778 -16.474 1.142 1.00 0.00 C ATOM 0 H1 VAL B 1 -12.907 -17.172 -1.325 1.00 0.00 H new ATOM 0 H2 VAL B 1 -11.548 -16.569 -2.146 1.00 0.00 H new ATOM 0 H3 VAL B 1 -11.358 -17.355 -0.653 1.00 0.00 H new ATOM 0 HA VAL B 1 -12.950 -14.893 -0.972 1.00 0.00 H new ATOM 0 HB VAL B 1 -11.660 -16.167 1.432 1.00 0.00 H new ATOM 0 HG11 VAL B 1 -12.965 -14.463 2.736 1.00 0.00 H new ATOM 0 HG12 VAL B 1 -11.785 -13.703 1.643 1.00 0.00 H new ATOM 0 HG13 VAL B 1 -13.509 -13.736 1.206 1.00 0.00 H new ATOM 0 HG21 VAL B 1 -14.004 -16.591 2.202 1.00 0.00 H new ATOM 0 HG22 VAL B 1 -14.608 -15.970 0.647 1.00 0.00 H new ATOM 0 HG23 VAL B 1 -13.630 -17.456 0.692 1.00 0.00 H new ATOM 923 N PRO B 2 -10.827 -13.601 -1.607 1.00 0.00 N ATOM 924 CA PRO B 2 -9.705 -12.679 -1.800 1.00 0.00 C ATOM 925 C PRO B 2 -9.333 -11.886 -0.527 1.00 0.00 C ATOM 926 O PRO B 2 -10.166 -11.762 0.372 1.00 0.00 O ATOM 927 CB PRO B 2 -10.138 -11.735 -2.933 1.00 0.00 C ATOM 928 CG PRO B 2 -11.141 -12.572 -3.725 1.00 0.00 C ATOM 929 CD PRO B 2 -11.842 -13.373 -2.627 1.00 0.00 C ATOM 0 HA PRO B 2 -8.801 -13.237 -2.045 1.00 0.00 H new ATOM 0 HB2 PRO B 2 -10.593 -10.823 -2.545 1.00 0.00 H new ATOM 0 HB3 PRO B 2 -9.292 -11.432 -3.549 1.00 0.00 H new ATOM 0 HG2 PRO B 2 -11.840 -11.948 -4.282 1.00 0.00 H new ATOM 0 HG3 PRO B 2 -10.647 -13.221 -4.448 1.00 0.00 H new ATOM 0 HD2 PRO B 2 -12.691 -12.823 -2.221 1.00 0.00 H new ATOM 0 HD3 PRO B 2 -12.229 -14.316 -3.014 1.00 0.00 H new ATOM 937 N PRO B 3 -8.108 -11.325 -0.442 1.00 0.00 N ATOM 938 CA PRO B 3 -7.653 -10.509 0.684 1.00 0.00 C ATOM 939 C PRO B 3 -8.642 -9.384 1.064 1.00 0.00 C ATOM 940 O PRO B 3 -8.968 -8.564 0.202 1.00 0.00 O ATOM 941 CB PRO B 3 -6.299 -9.930 0.247 1.00 0.00 C ATOM 942 CG PRO B 3 -5.761 -10.987 -0.712 1.00 0.00 C ATOM 943 CD PRO B 3 -7.030 -11.475 -1.414 1.00 0.00 C ATOM 0 HA PRO B 3 -7.576 -11.119 1.584 1.00 0.00 H new ATOM 0 HB2 PRO B 3 -6.414 -8.963 -0.243 1.00 0.00 H new ATOM 0 HB3 PRO B 3 -5.632 -9.780 1.096 1.00 0.00 H new ATOM 0 HG2 PRO B 3 -5.043 -10.567 -1.417 1.00 0.00 H new ATOM 0 HG3 PRO B 3 -5.254 -11.794 -0.183 1.00 0.00 H new ATOM 0 HD2 PRO B 3 -7.229 -10.890 -2.312 1.00 0.00 H new ATOM 0 HD3 PRO B 3 -6.928 -12.514 -1.727 1.00 0.00 H new ATOM 951 N PRO B 4 -9.121 -9.317 2.324 1.00 0.00 N ATOM 952 CA PRO B 4 -9.986 -8.244 2.812 1.00 0.00 C ATOM 953 C PRO B 4 -9.148 -7.003 3.173 1.00 0.00 C ATOM 954 O PRO B 4 -8.094 -7.131 3.793 1.00 0.00 O ATOM 955 CB PRO B 4 -10.688 -8.835 4.040 1.00 0.00 C ATOM 956 CG PRO B 4 -9.629 -9.774 4.620 1.00 0.00 C ATOM 957 CD PRO B 4 -8.903 -10.302 3.377 1.00 0.00 C ATOM 0 HA PRO B 4 -10.707 -7.910 2.066 1.00 0.00 H new ATOM 0 HB2 PRO B 4 -10.976 -8.062 4.752 1.00 0.00 H new ATOM 0 HB3 PRO B 4 -11.597 -9.371 3.767 1.00 0.00 H new ATOM 0 HG2 PRO B 4 -8.949 -9.248 5.289 1.00 0.00 H new ATOM 0 HG3 PRO B 4 -10.080 -10.582 5.195 1.00 0.00 H new ATOM 0 HD2 PRO B 4 -7.839 -10.431 3.574 1.00 0.00 H new ATOM 0 HD3 PRO B 4 -9.293 -11.277 3.084 1.00 0.00 H new ATOM 965 N VAL B 5 -9.613 -5.809 2.772 1.00 0.00 N ATOM 966 CA VAL B 5 -8.902 -4.531 2.891 1.00 0.00 C ATOM 967 C VAL B 5 -9.239 -3.847 4.236 1.00 0.00 C ATOM 968 O VAL B 5 -10.387 -3.439 4.420 1.00 0.00 O ATOM 969 CB VAL B 5 -9.277 -3.627 1.690 1.00 0.00 C ATOM 970 CG1 VAL B 5 -8.612 -2.244 1.795 1.00 0.00 C ATOM 971 CG2 VAL B 5 -8.871 -4.249 0.342 1.00 0.00 C ATOM 0 H VAL B 5 -10.531 -5.706 2.339 1.00 0.00 H new ATOM 0 HA VAL B 5 -7.826 -4.707 2.875 1.00 0.00 H new ATOM 0 HB VAL B 5 -10.362 -3.525 1.727 1.00 0.00 H new ATOM 0 HG11 VAL B 5 -8.897 -1.637 0.936 1.00 0.00 H new ATOM 0 HG12 VAL B 5 -8.938 -1.752 2.711 1.00 0.00 H new ATOM 0 HG13 VAL B 5 -7.529 -2.362 1.812 1.00 0.00 H new ATOM 0 HG21 VAL B 5 -9.155 -3.578 -0.469 1.00 0.00 H new ATOM 0 HG22 VAL B 5 -7.792 -4.405 0.323 1.00 0.00 H new ATOM 0 HG23 VAL B 5 -9.378 -5.206 0.215 1.00 0.00 H new ATOM 981 N PRO B 6 -8.271 -3.664 5.163 1.00 0.00 N ATOM 982 CA PRO B 6 -8.443 -2.855 6.374 1.00 0.00 C ATOM 983 C PRO B 6 -8.794 -1.388 6.047 1.00 0.00 C ATOM 984 O PRO B 6 -8.304 -0.861 5.050 1.00 0.00 O ATOM 985 CB PRO B 6 -7.108 -2.941 7.131 1.00 0.00 C ATOM 986 CG PRO B 6 -6.450 -4.205 6.590 1.00 0.00 C ATOM 987 CD PRO B 6 -6.936 -4.240 5.144 1.00 0.00 C ATOM 0 HA PRO B 6 -9.274 -3.231 6.971 1.00 0.00 H new ATOM 0 HB2 PRO B 6 -6.490 -2.062 6.949 1.00 0.00 H new ATOM 0 HB3 PRO B 6 -7.264 -3.003 8.208 1.00 0.00 H new ATOM 0 HG2 PRO B 6 -5.363 -4.154 6.651 1.00 0.00 H new ATOM 0 HG3 PRO B 6 -6.759 -5.092 7.143 1.00 0.00 H new ATOM 0 HD2 PRO B 6 -6.273 -3.669 4.494 1.00 0.00 H new ATOM 0 HD3 PRO B 6 -6.955 -5.261 4.762 1.00 0.00 H new ATOM 995 N PRO B 7 -9.614 -0.705 6.867 1.00 0.00 N ATOM 996 CA PRO B 7 -10.092 0.651 6.592 1.00 0.00 C ATOM 997 C PRO B 7 -8.979 1.702 6.746 1.00 0.00 C ATOM 998 O PRO B 7 -8.150 1.608 7.652 1.00 0.00 O ATOM 999 CB PRO B 7 -11.232 0.882 7.593 1.00 0.00 C ATOM 1000 CG PRO B 7 -10.827 0.011 8.784 1.00 0.00 C ATOM 1001 CD PRO B 7 -10.188 -1.204 8.109 1.00 0.00 C ATOM 0 HA PRO B 7 -10.429 0.753 5.560 1.00 0.00 H new ATOM 0 HB2 PRO B 7 -11.317 1.932 7.872 1.00 0.00 H new ATOM 0 HB3 PRO B 7 -12.196 0.582 7.183 1.00 0.00 H new ATOM 0 HG2 PRO B 7 -10.126 0.525 9.441 1.00 0.00 H new ATOM 0 HG3 PRO B 7 -11.687 -0.269 9.392 1.00 0.00 H new ATOM 0 HD2 PRO B 7 -9.422 -1.648 8.745 1.00 0.00 H new ATOM 0 HD3 PRO B 7 -10.929 -1.979 7.915 1.00 0.00 H new ATOM 1009 N ARG B 8 -8.974 2.717 5.865 1.00 0.00 N ATOM 1010 CA ARG B 8 -8.064 3.862 5.942 1.00 0.00 C ATOM 1011 C ARG B 8 -8.466 4.851 7.048 1.00 0.00 C ATOM 1012 O ARG B 8 -9.619 4.897 7.479 1.00 0.00 O ATOM 1013 CB ARG B 8 -7.915 4.551 4.570 1.00 0.00 C ATOM 1014 CG ARG B 8 -9.237 5.058 3.968 1.00 0.00 C ATOM 1015 CD ARG B 8 -8.997 6.163 2.928 1.00 0.00 C ATOM 1016 NE ARG B 8 -8.133 5.717 1.815 1.00 0.00 N ATOM 1017 CZ ARG B 8 -7.229 6.462 1.150 1.00 0.00 C ATOM 1018 NH1 ARG B 8 -6.958 7.724 1.500 1.00 0.00 N ATOM 1019 NH2 ARG B 8 -6.587 5.931 0.109 1.00 0.00 N ATOM 0 H ARG B 8 -9.612 2.761 5.071 1.00 0.00 H new ATOM 0 HA ARG B 8 -7.083 3.477 6.220 1.00 0.00 H new ATOM 0 HB2 ARG B 8 -7.230 5.392 4.672 1.00 0.00 H new ATOM 0 HB3 ARG B 8 -7.457 3.850 3.872 1.00 0.00 H new ATOM 0 HG2 ARG B 8 -9.767 4.228 3.502 1.00 0.00 H new ATOM 0 HG3 ARG B 8 -9.877 5.439 4.764 1.00 0.00 H new ATOM 0 HD2 ARG B 8 -9.955 6.495 2.529 1.00 0.00 H new ATOM 0 HD3 ARG B 8 -8.539 7.023 3.416 1.00 0.00 H new ATOM 0 HE ARG B 8 -8.231 4.745 1.520 1.00 0.00 H new ATOM 0 HH11 ARG B 8 -7.442 8.149 2.291 1.00 0.00 H new ATOM 0 HH12 ARG B 8 -6.268 8.262 0.976 1.00 0.00 H new ATOM 0 HH21 ARG B 8 -6.783 4.971 -0.175 1.00 0.00 H new ATOM 0 HH22 ARG B 8 -5.900 6.485 -0.403 1.00 0.00 H new ATOM 1033 N ARG B 9 -7.488 5.645 7.509 1.00 0.00 N ATOM 1034 CA ARG B 9 -7.630 6.612 8.589 1.00 0.00 C ATOM 1035 C ARG B 9 -8.597 7.739 8.194 1.00 0.00 C ATOM 1036 O ARG B 9 -8.420 8.380 7.157 1.00 0.00 O ATOM 1037 CB ARG B 9 -6.240 7.163 8.957 1.00 0.00 C ATOM 1038 CG ARG B 9 -6.238 8.150 10.139 1.00 0.00 C ATOM 1039 CD ARG B 9 -6.798 7.574 11.451 1.00 0.00 C ATOM 1040 NE ARG B 9 -6.053 6.378 11.896 1.00 0.00 N ATOM 1041 CZ ARG B 9 -5.415 6.196 13.067 1.00 0.00 C ATOM 1042 NH1 ARG B 9 -5.323 7.164 13.985 1.00 0.00 N ATOM 1043 NH2 ARG B 9 -4.851 5.012 13.321 1.00 0.00 N ATOM 0 H ARG B 9 -6.545 5.625 7.121 1.00 0.00 H new ATOM 0 HA ARG B 9 -8.057 6.120 9.463 1.00 0.00 H new ATOM 0 HB2 ARG B 9 -5.583 6.327 9.197 1.00 0.00 H new ATOM 0 HB3 ARG B 9 -5.817 7.660 8.084 1.00 0.00 H new ATOM 0 HG2 ARG B 9 -5.216 8.488 10.312 1.00 0.00 H new ATOM 0 HG3 ARG B 9 -6.822 9.028 9.864 1.00 0.00 H new ATOM 0 HD2 ARG B 9 -6.756 8.337 12.228 1.00 0.00 H new ATOM 0 HD3 ARG B 9 -7.848 7.316 11.314 1.00 0.00 H new ATOM 0 HE ARG B 9 -6.018 5.599 11.239 1.00 0.00 H new ATOM 0 HH11 ARG B 9 -5.744 8.076 13.808 1.00 0.00 H new ATOM 0 HH12 ARG B 9 -4.832 6.990 14.862 1.00 0.00 H new ATOM 0 HH21 ARG B 9 -4.908 4.262 12.632 1.00 0.00 H new ATOM 0 HH22 ARG B 9 -4.364 4.858 14.204 1.00 0.00 H new ATOM 1057 N ARG B 10 -9.607 7.976 9.040 1.00 0.00 N ATOM 1058 CA ARG B 10 -10.549 9.088 8.933 1.00 0.00 C ATOM 1059 C ARG B 10 -9.835 10.427 9.181 1.00 0.00 C ATOM 1060 O ARG B 10 -9.210 10.557 10.258 1.00 0.00 O ATOM 1061 CB ARG B 10 -11.716 8.863 9.915 1.00 0.00 C ATOM 1062 CG ARG B 10 -12.723 10.027 9.995 1.00 0.00 C ATOM 1063 CD ARG B 10 -13.353 10.416 8.649 1.00 0.00 C ATOM 1064 NE ARG B 10 -14.078 9.286 8.038 1.00 0.00 N ATOM 1065 CZ ARG B 10 -13.845 8.707 6.846 1.00 0.00 C ATOM 1066 NH1 ARG B 10 -12.886 9.137 6.017 1.00 0.00 N ATOM 1067 NH2 ARG B 10 -14.595 7.667 6.470 1.00 0.00 N ATOM 1068 OXT ARG B 10 -9.937 11.302 8.293 1.00 0.00 O ATOM 0 H ARG B 10 -9.794 7.376 9.844 1.00 0.00 H new ATOM 0 HA ARG B 10 -10.957 9.130 7.923 1.00 0.00 H new ATOM 0 HB2 ARG B 10 -12.249 7.958 9.623 1.00 0.00 H new ATOM 0 HB3 ARG B 10 -11.307 8.685 10.910 1.00 0.00 H new ATOM 0 HG2 ARG B 10 -13.518 9.756 10.690 1.00 0.00 H new ATOM 0 HG3 ARG B 10 -12.219 10.899 10.412 1.00 0.00 H new ATOM 0 HD2 ARG B 10 -14.038 11.251 8.796 1.00 0.00 H new ATOM 0 HD3 ARG B 10 -12.574 10.759 7.968 1.00 0.00 H new ATOM 0 HE ARG B 10 -14.847 8.897 8.584 1.00 0.00 H new ATOM 0 HH11 ARG B 10 -12.301 9.930 6.281 1.00 0.00 H new ATOM 0 HH12 ARG B 10 -12.740 8.672 5.121 1.00 0.00 H new ATOM 0 HH21 ARG B 10 -15.333 7.322 7.084 1.00 0.00 H new ATOM 0 HH22 ARG B 10 -14.430 7.218 5.569 1.00 0.00 H new TER 1082 ARG B 10