USER MOD reduce.3.24.130724 H: found=0, std=0, add=511, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 510 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 43 ASN : amide:sc= 0.937! C(o=2.2!,f=-9!) USER MOD Set 1.2: A 46 SER OG : rot 113:sc= 1.3 USER MOD Single : A 1 GLU N :NH3+ -141:sc= -0.118 (180deg=-1.12) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 8 TYR OH : rot 150:sc= -0.484 USER MOD Single : A 13 ASN : amide:sc= -0.624 K(o=-0.62,f=-2.9!) USER MOD Single : A 15 TYR OH : rot 130:sc= -0.971 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 ASN : amide:sc= -1.7! C(o=-1.7!,f=-2.5!) USER MOD Single : A 23 LYS NZ :NH3+ -156:sc= -0.218 (180deg=-1.62!) USER MOD Single : A 27 THR OG1 : rot 126:sc= 0.892 USER MOD Single : A 30 ASN : amide:sc= -1.92 X(o=-1.9,f=-2.2!) USER MOD Single : A 34 GLN : amide:sc=-0.00756 K(o=-0.0076,f=-1.6!) USER MOD Single : A 39 LYS NZ :NH3+ -142:sc= -0.14 (180deg=-0.87) USER MOD Single : A 41 HIS : no HD1:sc= -2.52! K(o=-2.5!,f=-1.4) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 MET CE :methyl -117:sc= -0.0271 (180deg=-0.385) USER MOD Single : A 53 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 LYS NZ :NH3+ -149:sc= -0.583 (180deg=-1.36) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 68 ASN : amide:sc= -0.137 K(o=-0.14,f=-2.2!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 20.857 14.743 6.503 1.00 0.00 N ATOM 2 CA GLU A 1 20.442 13.362 6.119 1.00 0.00 C ATOM 3 C GLU A 1 19.008 13.370 5.582 1.00 0.00 C ATOM 4 O GLU A 1 18.069 13.667 6.294 1.00 0.00 O ATOM 5 CB GLU A 1 20.526 12.552 7.413 1.00 0.00 C ATOM 6 CG GLU A 1 21.962 12.575 7.939 1.00 0.00 C ATOM 7 CD GLU A 1 22.065 11.690 9.183 1.00 0.00 C ATOM 8 OE1 GLU A 1 21.030 11.266 9.670 1.00 0.00 O ATOM 9 OE2 GLU A 1 23.177 11.451 9.625 1.00 0.00 O ATOM 0 H1 GLU A 1 21.850 14.895 6.234 1.00 0.00 H new ATOM 0 H2 GLU A 1 20.256 15.435 6.012 1.00 0.00 H new ATOM 0 H3 GLU A 1 20.755 14.863 7.531 1.00 0.00 H new ATOM 0 HA GLU A 1 21.071 12.944 5.334 1.00 0.00 H new ATOM 0 HB2 GLU A 1 19.848 12.967 8.159 1.00 0.00 H new ATOM 0 HB3 GLU A 1 20.210 11.524 7.232 1.00 0.00 H new ATOM 0 HG2 GLU A 1 22.648 12.220 7.170 1.00 0.00 H new ATOM 0 HG3 GLU A 1 22.255 13.596 8.181 1.00 0.00 H new ATOM 18 N SER A 2 18.833 13.048 4.329 1.00 0.00 N ATOM 19 CA SER A 2 17.460 13.037 3.747 1.00 0.00 C ATOM 20 C SER A 2 17.094 11.626 3.280 1.00 0.00 C ATOM 21 O SER A 2 17.903 10.719 3.323 1.00 0.00 O ATOM 22 CB SER A 2 17.527 13.996 2.559 1.00 0.00 C ATOM 23 OG SER A 2 17.926 15.282 3.009 1.00 0.00 O ATOM 0 H SER A 2 19.580 12.792 3.684 1.00 0.00 H new ATOM 0 HA SER A 2 16.702 13.337 4.470 1.00 0.00 H new ATOM 0 HB2 SER A 2 18.233 13.624 1.817 1.00 0.00 H new ATOM 0 HB3 SER A 2 16.554 14.056 2.071 1.00 0.00 H new ATOM 0 HG SER A 2 17.970 15.896 2.247 1.00 0.00 H new ATOM 29 N GLY A 3 15.884 11.433 2.835 1.00 0.00 N ATOM 30 CA GLY A 3 15.468 10.081 2.366 1.00 0.00 C ATOM 31 C GLY A 3 14.038 9.796 2.833 1.00 0.00 C ATOM 32 O GLY A 3 13.399 10.627 3.448 1.00 0.00 O ATOM 0 H GLY A 3 15.164 12.153 2.776 1.00 0.00 H new ATOM 0 HA2 GLY A 3 15.524 10.028 1.279 1.00 0.00 H new ATOM 0 HA3 GLY A 3 16.147 9.324 2.757 1.00 0.00 H new ATOM 36 N LYS A 4 13.531 8.629 2.544 1.00 0.00 N ATOM 37 CA LYS A 4 12.142 8.294 2.971 1.00 0.00 C ATOM 38 C LYS A 4 12.166 7.528 4.298 1.00 0.00 C ATOM 39 O LYS A 4 13.176 6.978 4.689 1.00 0.00 O ATOM 40 CB LYS A 4 11.585 7.414 1.852 1.00 0.00 C ATOM 41 CG LYS A 4 11.646 8.175 0.527 1.00 0.00 C ATOM 42 CD LYS A 4 10.700 9.376 0.586 1.00 0.00 C ATOM 43 CE LYS A 4 10.635 10.041 -0.792 1.00 0.00 C ATOM 44 NZ LYS A 4 11.025 11.459 -0.549 1.00 0.00 N ATOM 0 H LYS A 4 14.017 7.893 2.031 1.00 0.00 H new ATOM 0 HA LYS A 4 11.533 9.184 3.130 1.00 0.00 H new ATOM 0 HB2 LYS A 4 12.160 6.491 1.780 1.00 0.00 H new ATOM 0 HB3 LYS A 4 10.556 7.132 2.075 1.00 0.00 H new ATOM 0 HG2 LYS A 4 12.665 8.510 0.334 1.00 0.00 H new ATOM 0 HG3 LYS A 4 11.366 7.517 -0.296 1.00 0.00 H new ATOM 0 HD2 LYS A 4 9.705 9.054 0.894 1.00 0.00 H new ATOM 0 HD3 LYS A 4 11.049 10.091 1.331 1.00 0.00 H new ATOM 0 HE2 LYS A 4 11.313 9.559 -1.496 1.00 0.00 H new ATOM 0 HE3 LYS A 4 9.634 9.973 -1.217 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 11.005 11.983 -1.447 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 10.357 11.893 0.120 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 11.985 11.492 -0.150 1.00 0.00 H new ATOM 58 N ALA A 5 11.062 7.490 4.991 1.00 0.00 N ATOM 59 CA ALA A 5 11.022 6.761 6.292 1.00 0.00 C ATOM 60 C ALA A 5 11.197 5.257 6.063 1.00 0.00 C ATOM 61 O ALA A 5 11.610 4.530 6.945 1.00 0.00 O ATOM 62 CB ALA A 5 9.638 7.057 6.870 1.00 0.00 C ATOM 0 H ALA A 5 10.185 7.932 4.714 1.00 0.00 H new ATOM 0 HA ALA A 5 11.821 7.074 6.964 1.00 0.00 H new ATOM 0 HB1 ALA A 5 9.530 6.554 7.831 1.00 0.00 H new ATOM 0 HB2 ALA A 5 9.524 8.132 7.008 1.00 0.00 H new ATOM 0 HB3 ALA A 5 8.872 6.696 6.183 1.00 0.00 H new ATOM 68 N THR A 6 10.884 4.784 4.887 1.00 0.00 N ATOM 69 CA THR A 6 11.031 3.327 4.606 1.00 0.00 C ATOM 70 C THR A 6 12.279 3.074 3.756 1.00 0.00 C ATOM 71 O THR A 6 12.846 3.984 3.183 1.00 0.00 O ATOM 72 CB THR A 6 9.769 2.941 3.835 1.00 0.00 C ATOM 73 OG1 THR A 6 8.681 3.737 4.280 1.00 0.00 O ATOM 74 CG2 THR A 6 9.455 1.464 4.075 1.00 0.00 C ATOM 0 H THR A 6 10.533 5.343 4.109 1.00 0.00 H new ATOM 0 HA THR A 6 11.145 2.741 5.518 1.00 0.00 H new ATOM 0 HB THR A 6 9.929 3.108 2.770 1.00 0.00 H new ATOM 0 HG1 THR A 6 7.872 3.491 3.785 1.00 0.00 H new ATOM 0 HG21 THR A 6 8.555 1.189 3.525 1.00 0.00 H new ATOM 0 HG22 THR A 6 10.290 0.854 3.732 1.00 0.00 H new ATOM 0 HG23 THR A 6 9.295 1.294 5.140 1.00 0.00 H new ATOM 82 N SER A 7 12.709 1.847 3.667 1.00 0.00 N ATOM 83 CA SER A 7 13.918 1.536 2.853 1.00 0.00 C ATOM 84 C SER A 7 13.702 0.247 2.057 1.00 0.00 C ATOM 85 O SER A 7 13.360 -0.781 2.606 1.00 0.00 O ATOM 86 CB SER A 7 15.045 1.360 3.869 1.00 0.00 C ATOM 87 OG SER A 7 16.227 0.948 3.198 1.00 0.00 O ATOM 0 H SER A 7 12.275 1.044 4.123 1.00 0.00 H new ATOM 0 HA SER A 7 14.143 2.320 2.130 1.00 0.00 H new ATOM 0 HB2 SER A 7 15.222 2.297 4.398 1.00 0.00 H new ATOM 0 HB3 SER A 7 14.762 0.620 4.617 1.00 0.00 H new ATOM 0 HG SER A 7 16.951 0.837 3.849 1.00 0.00 H new ATOM 93 N TYR A 8 13.900 0.294 0.768 1.00 0.00 N ATOM 94 CA TYR A 8 13.706 -0.929 -0.062 1.00 0.00 C ATOM 95 C TYR A 8 14.549 -2.081 0.490 1.00 0.00 C ATOM 96 O TYR A 8 14.081 -3.193 0.632 1.00 0.00 O ATOM 97 CB TYR A 8 14.179 -0.534 -1.460 1.00 0.00 C ATOM 98 CG TYR A 8 13.496 0.747 -1.873 1.00 0.00 C ATOM 99 CD1 TYR A 8 12.106 0.865 -1.763 1.00 0.00 C ATOM 100 CD2 TYR A 8 14.252 1.818 -2.365 1.00 0.00 C ATOM 101 CE1 TYR A 8 11.471 2.053 -2.143 1.00 0.00 C ATOM 102 CE2 TYR A 8 13.618 3.006 -2.746 1.00 0.00 C ATOM 103 CZ TYR A 8 12.228 3.124 -2.635 1.00 0.00 C ATOM 104 OH TYR A 8 11.603 4.296 -3.010 1.00 0.00 O ATOM 0 H TYR A 8 14.188 1.126 0.254 1.00 0.00 H new ATOM 0 HA TYR A 8 12.671 -1.270 -0.065 1.00 0.00 H new ATOM 0 HB2 TYR A 8 15.261 -0.402 -1.467 1.00 0.00 H new ATOM 0 HB3 TYR A 8 13.951 -1.327 -2.172 1.00 0.00 H new ATOM 0 HD1 TYR A 8 11.523 0.039 -1.385 1.00 0.00 H new ATOM 0 HD2 TYR A 8 15.325 1.727 -2.450 1.00 0.00 H new ATOM 0 HE1 TYR A 8 10.398 2.144 -2.057 1.00 0.00 H new ATOM 0 HE2 TYR A 8 14.201 3.832 -3.126 1.00 0.00 H new ATOM 0 HH TYR A 8 12.211 5.051 -2.867 1.00 0.00 H new ATOM 114 N ALA A 9 15.790 -1.825 0.803 1.00 0.00 N ATOM 115 CA ALA A 9 16.656 -2.908 1.347 1.00 0.00 C ATOM 116 C ALA A 9 15.948 -3.610 2.508 1.00 0.00 C ATOM 117 O ALA A 9 16.161 -4.778 2.765 1.00 0.00 O ATOM 118 CB ALA A 9 17.920 -2.197 1.832 1.00 0.00 C ATOM 0 H ALA A 9 16.240 -0.915 0.706 1.00 0.00 H new ATOM 0 HA ALA A 9 16.883 -3.674 0.605 1.00 0.00 H new ATOM 0 HB1 ALA A 9 18.612 -2.929 2.249 1.00 0.00 H new ATOM 0 HB2 ALA A 9 18.394 -1.685 0.994 1.00 0.00 H new ATOM 0 HB3 ALA A 9 17.656 -1.469 2.599 1.00 0.00 H new ATOM 124 N GLU A 10 15.097 -2.905 3.203 1.00 0.00 N ATOM 125 CA GLU A 10 14.361 -3.530 4.339 1.00 0.00 C ATOM 126 C GLU A 10 12.947 -3.901 3.888 1.00 0.00 C ATOM 127 O GLU A 10 12.422 -4.938 4.240 1.00 0.00 O ATOM 128 CB GLU A 10 14.318 -2.457 5.427 1.00 0.00 C ATOM 129 CG GLU A 10 14.309 -3.128 6.803 1.00 0.00 C ATOM 130 CD GLU A 10 15.529 -4.042 6.933 1.00 0.00 C ATOM 131 OE1 GLU A 10 16.600 -3.630 6.520 1.00 0.00 O ATOM 132 OE2 GLU A 10 15.370 -5.139 7.442 1.00 0.00 O ATOM 0 H GLU A 10 14.880 -1.923 3.033 1.00 0.00 H new ATOM 0 HA GLU A 10 14.837 -4.443 4.697 1.00 0.00 H new ATOM 0 HB2 GLU A 10 15.181 -1.798 5.337 1.00 0.00 H new ATOM 0 HB3 GLU A 10 13.430 -1.837 5.307 1.00 0.00 H new ATOM 0 HG2 GLU A 10 14.322 -2.372 7.588 1.00 0.00 H new ATOM 0 HG3 GLU A 10 13.393 -3.705 6.932 1.00 0.00 H new ATOM 139 N LEU A 11 12.336 -3.061 3.099 1.00 0.00 N ATOM 140 CA LEU A 11 10.963 -3.361 2.606 1.00 0.00 C ATOM 141 C LEU A 11 11.014 -4.560 1.665 1.00 0.00 C ATOM 142 O LEU A 11 10.399 -5.580 1.901 1.00 0.00 O ATOM 143 CB LEU A 11 10.536 -2.104 1.850 1.00 0.00 C ATOM 144 CG LEU A 11 9.085 -2.252 1.390 1.00 0.00 C ATOM 145 CD1 LEU A 11 8.466 -0.865 1.204 1.00 0.00 C ATOM 146 CD2 LEU A 11 9.049 -3.010 0.061 1.00 0.00 C ATOM 0 H LEU A 11 12.730 -2.178 2.774 1.00 0.00 H new ATOM 0 HA LEU A 11 10.268 -3.606 3.409 1.00 0.00 H new ATOM 0 HB2 LEU A 11 10.637 -1.229 2.492 1.00 0.00 H new ATOM 0 HB3 LEU A 11 11.187 -1.946 0.990 1.00 0.00 H new ATOM 0 HG LEU A 11 8.519 -2.804 2.140 1.00 0.00 H new ATOM 0 HD11 LEU A 11 7.432 -0.969 0.876 1.00 0.00 H new ATOM 0 HD12 LEU A 11 8.494 -0.324 2.150 1.00 0.00 H new ATOM 0 HD13 LEU A 11 9.031 -0.312 0.453 1.00 0.00 H new ATOM 0 HD21 LEU A 11 8.016 -3.117 -0.269 1.00 0.00 H new ATOM 0 HD22 LEU A 11 9.614 -2.457 -0.689 1.00 0.00 H new ATOM 0 HD23 LEU A 11 9.492 -3.997 0.193 1.00 0.00 H new ATOM 158 N CYS A 12 11.758 -4.443 0.603 1.00 0.00 N ATOM 159 CA CYS A 12 11.874 -5.576 -0.356 1.00 0.00 C ATOM 160 C CYS A 12 12.487 -6.785 0.353 1.00 0.00 C ATOM 161 O CYS A 12 12.448 -7.895 -0.140 1.00 0.00 O ATOM 162 CB CYS A 12 12.803 -5.071 -1.460 1.00 0.00 C ATOM 163 SG CYS A 12 11.851 -4.099 -2.653 1.00 0.00 S ATOM 0 H CYS A 12 12.292 -3.610 0.356 1.00 0.00 H new ATOM 0 HA CYS A 12 10.909 -5.888 -0.756 1.00 0.00 H new ATOM 0 HB2 CYS A 12 13.598 -4.462 -1.030 1.00 0.00 H new ATOM 0 HB3 CYS A 12 13.282 -5.913 -1.960 1.00 0.00 H new ATOM 168 N ASN A 13 13.052 -6.569 1.513 1.00 0.00 N ATOM 169 CA ASN A 13 13.671 -7.690 2.274 1.00 0.00 C ATOM 170 C ASN A 13 12.809 -8.945 2.164 1.00 0.00 C ATOM 171 O ASN A 13 13.276 -10.005 1.798 1.00 0.00 O ATOM 172 CB ASN A 13 13.707 -7.198 3.719 1.00 0.00 C ATOM 173 CG ASN A 13 14.470 -8.205 4.583 1.00 0.00 C ATOM 174 OD1 ASN A 13 14.688 -9.330 4.177 1.00 0.00 O ATOM 175 ND2 ASN A 13 14.887 -7.848 5.765 1.00 0.00 N ATOM 0 H ASN A 13 13.110 -5.657 1.967 1.00 0.00 H new ATOM 0 HA ASN A 13 14.660 -7.951 1.898 1.00 0.00 H new ATOM 0 HB2 ASN A 13 14.188 -6.221 3.770 1.00 0.00 H new ATOM 0 HB3 ASN A 13 12.692 -7.074 4.097 1.00 0.00 H new ATOM 0 HD21 ASN A 13 15.396 -8.512 6.348 1.00 0.00 H new ATOM 0 HD22 ASN A 13 14.705 -6.904 6.107 1.00 0.00 H new ATOM 182 N GLU A 14 11.553 -8.830 2.482 1.00 0.00 N ATOM 183 CA GLU A 14 10.650 -10.013 2.400 1.00 0.00 C ATOM 184 C GLU A 14 10.811 -10.720 1.050 1.00 0.00 C ATOM 185 O GLU A 14 10.600 -11.910 0.937 1.00 0.00 O ATOM 186 CB GLU A 14 9.238 -9.446 2.543 1.00 0.00 C ATOM 187 CG GLU A 14 8.240 -10.593 2.705 1.00 0.00 C ATOM 188 CD GLU A 14 6.827 -10.026 2.851 1.00 0.00 C ATOM 189 OE1 GLU A 14 6.685 -8.817 2.777 1.00 0.00 O ATOM 190 OE2 GLU A 14 5.910 -10.810 3.033 1.00 0.00 O ATOM 0 H GLU A 14 11.109 -7.967 2.796 1.00 0.00 H new ATOM 0 HA GLU A 14 10.874 -10.752 3.169 1.00 0.00 H new ATOM 0 HB2 GLU A 14 9.187 -8.782 3.406 1.00 0.00 H new ATOM 0 HB3 GLU A 14 8.984 -8.850 1.666 1.00 0.00 H new ATOM 0 HG2 GLU A 14 8.289 -11.256 1.841 1.00 0.00 H new ATOM 0 HG3 GLU A 14 8.496 -11.190 3.580 1.00 0.00 H new ATOM 197 N TYR A 15 11.185 -10.002 0.023 1.00 0.00 N ATOM 198 CA TYR A 15 11.355 -10.651 -1.310 1.00 0.00 C ATOM 199 C TYR A 15 12.796 -11.142 -1.478 1.00 0.00 C ATOM 200 O TYR A 15 13.187 -11.594 -2.536 1.00 0.00 O ATOM 201 CB TYR A 15 11.039 -9.562 -2.336 1.00 0.00 C ATOM 202 CG TYR A 15 9.579 -9.188 -2.248 1.00 0.00 C ATOM 203 CD1 TYR A 15 8.607 -10.022 -2.813 1.00 0.00 C ATOM 204 CD2 TYR A 15 9.197 -8.006 -1.603 1.00 0.00 C ATOM 205 CE1 TYR A 15 7.253 -9.674 -2.731 1.00 0.00 C ATOM 206 CE2 TYR A 15 7.843 -7.658 -1.522 1.00 0.00 C ATOM 207 CZ TYR A 15 6.871 -8.492 -2.087 1.00 0.00 C ATOM 208 OH TYR A 15 5.537 -8.148 -2.006 1.00 0.00 O ATOM 0 H TYR A 15 11.379 -9.001 0.049 1.00 0.00 H new ATOM 0 HA TYR A 15 10.705 -11.518 -1.428 1.00 0.00 H new ATOM 0 HB2 TYR A 15 11.661 -8.685 -2.153 1.00 0.00 H new ATOM 0 HB3 TYR A 15 11.274 -9.916 -3.340 1.00 0.00 H new ATOM 0 HD1 TYR A 15 8.901 -10.934 -3.312 1.00 0.00 H new ATOM 0 HD2 TYR A 15 9.947 -7.362 -1.168 1.00 0.00 H new ATOM 0 HE1 TYR A 15 6.503 -10.319 -3.165 1.00 0.00 H new ATOM 0 HE2 TYR A 15 7.549 -6.746 -1.024 1.00 0.00 H new ATOM 0 HH TYR A 15 5.313 -7.924 -1.079 1.00 0.00 H new ATOM 218 N ARG A 16 13.586 -11.062 -0.442 1.00 0.00 N ATOM 219 CA ARG A 16 14.998 -11.531 -0.546 1.00 0.00 C ATOM 220 C ARG A 16 15.050 -13.054 -0.448 1.00 0.00 C ATOM 221 O ARG A 16 15.880 -13.698 -1.057 1.00 0.00 O ATOM 222 CB ARG A 16 15.719 -10.881 0.632 1.00 0.00 C ATOM 223 CG ARG A 16 15.928 -9.397 0.330 1.00 0.00 C ATOM 224 CD ARG A 16 16.904 -8.797 1.341 1.00 0.00 C ATOM 225 NE ARG A 16 16.717 -7.325 1.217 1.00 0.00 N ATOM 226 CZ ARG A 16 17.667 -6.513 1.593 1.00 0.00 C ATOM 227 NH1 ARG A 16 18.280 -6.707 2.728 1.00 0.00 N ATOM 228 NH2 ARG A 16 18.004 -5.508 0.832 1.00 0.00 N ATOM 0 H ARG A 16 13.316 -10.693 0.470 1.00 0.00 H new ATOM 0 HA ARG A 16 15.460 -11.261 -1.496 1.00 0.00 H new ATOM 0 HB2 ARG A 16 15.134 -11.001 1.544 1.00 0.00 H new ATOM 0 HB3 ARG A 16 16.678 -11.369 0.802 1.00 0.00 H new ATOM 0 HG2 ARG A 16 16.315 -9.273 -0.681 1.00 0.00 H new ATOM 0 HG3 ARG A 16 14.975 -8.870 0.373 1.00 0.00 H new ATOM 0 HD2 ARG A 16 16.687 -9.140 2.353 1.00 0.00 H new ATOM 0 HD3 ARG A 16 17.931 -9.086 1.120 1.00 0.00 H new ATOM 0 HE ARG A 16 15.847 -6.951 0.838 1.00 0.00 H new ATOM 0 HH11 ARG A 16 18.017 -7.493 3.322 1.00 0.00 H new ATOM 0 HH12 ARG A 16 19.022 -6.072 3.022 1.00 0.00 H new ATOM 0 HH21 ARG A 16 17.525 -5.358 -0.056 1.00 0.00 H new ATOM 0 HH22 ARG A 16 18.746 -4.873 1.125 1.00 0.00 H new ATOM 242 N LYS A 17 14.152 -13.638 0.294 1.00 0.00 N ATOM 243 CA LYS A 17 14.133 -15.122 0.405 1.00 0.00 C ATOM 244 C LYS A 17 13.677 -15.713 -0.931 1.00 0.00 C ATOM 245 O LYS A 17 13.718 -16.908 -1.147 1.00 0.00 O ATOM 246 CB LYS A 17 13.119 -15.432 1.507 1.00 0.00 C ATOM 247 CG LYS A 17 13.341 -14.486 2.691 1.00 0.00 C ATOM 248 CD LYS A 17 12.673 -15.068 3.939 1.00 0.00 C ATOM 249 CE LYS A 17 11.183 -14.719 3.929 1.00 0.00 C ATOM 250 NZ LYS A 17 10.628 -15.379 5.144 1.00 0.00 N ATOM 0 H LYS A 17 13.431 -13.152 0.828 1.00 0.00 H new ATOM 0 HA LYS A 17 15.111 -15.543 0.639 1.00 0.00 H new ATOM 0 HB2 LYS A 17 12.105 -15.319 1.124 1.00 0.00 H new ATOM 0 HB3 LYS A 17 13.224 -16.467 1.831 1.00 0.00 H new ATOM 0 HG2 LYS A 17 14.408 -14.349 2.866 1.00 0.00 H new ATOM 0 HG3 LYS A 17 12.926 -13.503 2.468 1.00 0.00 H new ATOM 0 HD2 LYS A 17 12.804 -16.150 3.964 1.00 0.00 H new ATOM 0 HD3 LYS A 17 13.145 -14.669 4.837 1.00 0.00 H new ATOM 0 HE2 LYS A 17 11.029 -13.640 3.960 1.00 0.00 H new ATOM 0 HE3 LYS A 17 10.697 -15.084 3.024 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 9.608 -15.186 5.208 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 10.783 -16.406 5.083 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 11.105 -15.006 5.990 1.00 0.00 H new ATOM 264 N LEU A 18 13.243 -14.869 -1.829 1.00 0.00 N ATOM 265 CA LEU A 18 12.779 -15.344 -3.159 1.00 0.00 C ATOM 266 C LEU A 18 13.879 -15.107 -4.196 1.00 0.00 C ATOM 267 O LEU A 18 14.099 -15.908 -5.083 1.00 0.00 O ATOM 268 CB LEU A 18 11.557 -14.477 -3.483 1.00 0.00 C ATOM 269 CG LEU A 18 10.479 -14.647 -2.405 1.00 0.00 C ATOM 270 CD1 LEU A 18 10.899 -13.925 -1.122 1.00 0.00 C ATOM 271 CD2 LEU A 18 9.167 -14.041 -2.907 1.00 0.00 C ATOM 0 H LEU A 18 13.191 -13.859 -1.693 1.00 0.00 H new ATOM 0 HA LEU A 18 12.540 -16.407 -3.165 1.00 0.00 H new ATOM 0 HB2 LEU A 18 11.853 -13.430 -3.548 1.00 0.00 H new ATOM 0 HB3 LEU A 18 11.154 -14.755 -4.457 1.00 0.00 H new ATOM 0 HG LEU A 18 10.349 -15.709 -2.196 1.00 0.00 H new ATOM 0 HD11 LEU A 18 10.127 -14.052 -0.363 1.00 0.00 H new ATOM 0 HD12 LEU A 18 11.837 -14.345 -0.759 1.00 0.00 H new ATOM 0 HD13 LEU A 18 11.033 -12.863 -1.329 1.00 0.00 H new ATOM 0 HD21 LEU A 18 8.397 -14.159 -2.145 1.00 0.00 H new ATOM 0 HD22 LEU A 18 9.312 -12.981 -3.115 1.00 0.00 H new ATOM 0 HD23 LEU A 18 8.856 -14.551 -3.819 1.00 0.00 H new ATOM 283 N VAL A 19 14.567 -14.002 -4.087 1.00 0.00 N ATOM 284 CA VAL A 19 15.654 -13.691 -5.059 1.00 0.00 C ATOM 285 C VAL A 19 16.724 -14.784 -5.036 1.00 0.00 C ATOM 286 O VAL A 19 17.116 -15.263 -3.991 1.00 0.00 O ATOM 287 CB VAL A 19 16.244 -12.363 -4.581 1.00 0.00 C ATOM 288 CG1 VAL A 19 17.413 -11.969 -5.485 1.00 0.00 C ATOM 289 CG2 VAL A 19 15.169 -11.276 -4.637 1.00 0.00 C ATOM 0 H VAL A 19 14.422 -13.298 -3.363 1.00 0.00 H new ATOM 0 HA VAL A 19 15.282 -13.634 -6.082 1.00 0.00 H new ATOM 0 HB VAL A 19 16.597 -12.472 -3.556 1.00 0.00 H new ATOM 0 HG11 VAL A 19 17.833 -11.023 -5.144 1.00 0.00 H new ATOM 0 HG12 VAL A 19 18.180 -12.742 -5.445 1.00 0.00 H new ATOM 0 HG13 VAL A 19 17.060 -11.861 -6.510 1.00 0.00 H new ATOM 0 HG21 VAL A 19 15.590 -10.330 -4.296 1.00 0.00 H new ATOM 0 HG22 VAL A 19 14.815 -11.167 -5.662 1.00 0.00 H new ATOM 0 HG23 VAL A 19 14.335 -11.555 -3.993 1.00 0.00 H new ATOM 299 N ARG A 20 17.205 -15.174 -6.183 1.00 0.00 N ATOM 300 CA ARG A 20 18.259 -16.226 -6.234 1.00 0.00 C ATOM 301 C ARG A 20 19.603 -15.591 -6.599 1.00 0.00 C ATOM 302 O ARG A 20 20.361 -15.181 -5.743 1.00 0.00 O ATOM 303 CB ARG A 20 17.799 -17.188 -7.332 1.00 0.00 C ATOM 304 CG ARG A 20 16.608 -18.002 -6.825 1.00 0.00 C ATOM 305 CD ARG A 20 16.796 -19.470 -7.210 1.00 0.00 C ATOM 306 NE ARG A 20 15.618 -20.171 -6.626 1.00 0.00 N ATOM 307 CZ ARG A 20 15.152 -21.249 -7.194 1.00 0.00 C ATOM 308 NH1 ARG A 20 15.921 -21.958 -7.974 1.00 0.00 N ATOM 309 NH2 ARG A 20 13.919 -21.618 -6.984 1.00 0.00 N ATOM 0 H ARG A 20 16.913 -14.809 -7.090 1.00 0.00 H new ATOM 0 HA ARG A 20 18.393 -16.736 -5.280 1.00 0.00 H new ATOM 0 HB2 ARG A 20 17.519 -16.631 -8.226 1.00 0.00 H new ATOM 0 HB3 ARG A 20 18.615 -17.853 -7.614 1.00 0.00 H new ATOM 0 HG2 ARG A 20 16.522 -17.906 -5.743 1.00 0.00 H new ATOM 0 HG3 ARG A 20 15.682 -17.618 -7.253 1.00 0.00 H new ATOM 0 HD2 ARG A 20 16.833 -19.593 -8.292 1.00 0.00 H new ATOM 0 HD3 ARG A 20 17.730 -19.867 -6.812 1.00 0.00 H new ATOM 0 HE ARG A 20 15.176 -19.808 -5.782 1.00 0.00 H new ATOM 0 HH11 ARG A 20 16.885 -21.669 -8.139 1.00 0.00 H new ATOM 0 HH12 ARG A 20 15.558 -22.801 -8.419 1.00 0.00 H new ATOM 0 HH21 ARG A 20 13.317 -21.063 -6.375 1.00 0.00 H new ATOM 0 HH22 ARG A 20 13.556 -22.461 -7.429 1.00 0.00 H new ATOM 323 N ASN A 21 19.896 -15.497 -7.865 1.00 0.00 N ATOM 324 CA ASN A 21 21.180 -14.874 -8.294 1.00 0.00 C ATOM 325 C ASN A 21 20.880 -13.652 -9.163 1.00 0.00 C ATOM 326 O ASN A 21 21.448 -13.470 -10.221 1.00 0.00 O ATOM 327 CB ASN A 21 21.893 -15.958 -9.103 1.00 0.00 C ATOM 328 CG ASN A 21 21.228 -16.106 -10.472 1.00 0.00 C ATOM 329 OD1 ASN A 21 21.614 -15.458 -11.424 1.00 0.00 O ATOM 330 ND2 ASN A 21 20.236 -16.940 -10.609 1.00 0.00 N ATOM 0 H ASN A 21 19.300 -15.826 -8.625 1.00 0.00 H new ATOM 0 HA ASN A 21 21.791 -14.535 -7.458 1.00 0.00 H new ATOM 0 HB2 ASN A 21 22.945 -15.700 -9.226 1.00 0.00 H new ATOM 0 HB3 ASN A 21 21.858 -16.907 -8.567 1.00 0.00 H new ATOM 0 HD21 ASN A 21 19.783 -17.049 -11.516 1.00 0.00 H new ATOM 0 HD22 ASN A 21 19.913 -17.484 -9.809 1.00 0.00 H new ATOM 337 N GLY A 22 19.971 -12.827 -8.726 1.00 0.00 N ATOM 338 CA GLY A 22 19.602 -11.626 -9.521 1.00 0.00 C ATOM 339 C GLY A 22 18.218 -11.852 -10.136 1.00 0.00 C ATOM 340 O GLY A 22 17.705 -11.020 -10.859 1.00 0.00 O ATOM 0 H GLY A 22 19.465 -12.935 -7.847 1.00 0.00 H new ATOM 0 HA2 GLY A 22 19.593 -10.740 -8.886 1.00 0.00 H new ATOM 0 HA3 GLY A 22 20.339 -11.450 -10.304 1.00 0.00 H new ATOM 344 N LYS A 23 17.612 -12.975 -9.853 1.00 0.00 N ATOM 345 CA LYS A 23 16.262 -13.264 -10.416 1.00 0.00 C ATOM 346 C LYS A 23 15.223 -13.318 -9.291 1.00 0.00 C ATOM 347 O LYS A 23 15.307 -14.137 -8.397 1.00 0.00 O ATOM 348 CB LYS A 23 16.406 -14.632 -11.088 1.00 0.00 C ATOM 349 CG LYS A 23 15.023 -15.254 -11.298 1.00 0.00 C ATOM 350 CD LYS A 23 15.140 -16.455 -12.239 1.00 0.00 C ATOM 351 CE LYS A 23 13.742 -16.981 -12.571 1.00 0.00 C ATOM 352 NZ LYS A 23 13.078 -17.163 -11.250 1.00 0.00 N ATOM 0 H LYS A 23 17.996 -13.706 -9.254 1.00 0.00 H new ATOM 0 HA LYS A 23 15.927 -12.499 -11.116 1.00 0.00 H new ATOM 0 HB2 LYS A 23 16.916 -14.525 -12.045 1.00 0.00 H new ATOM 0 HB3 LYS A 23 17.020 -15.288 -10.471 1.00 0.00 H new ATOM 0 HG2 LYS A 23 14.605 -15.568 -10.342 1.00 0.00 H new ATOM 0 HG3 LYS A 23 14.340 -14.515 -11.718 1.00 0.00 H new ATOM 0 HD2 LYS A 23 15.658 -16.165 -13.153 1.00 0.00 H new ATOM 0 HD3 LYS A 23 15.734 -17.240 -11.772 1.00 0.00 H new ATOM 0 HE2 LYS A 23 13.193 -16.277 -13.196 1.00 0.00 H new ATOM 0 HE3 LYS A 23 13.794 -17.921 -13.120 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 12.319 -17.869 -11.337 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 13.777 -17.490 -10.552 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 12.674 -16.257 -10.937 1.00 0.00 H new ATOM 366 N LEU A 24 14.246 -12.455 -9.328 1.00 0.00 N ATOM 367 CA LEU A 24 13.205 -12.462 -8.260 1.00 0.00 C ATOM 368 C LEU A 24 12.086 -13.443 -8.620 1.00 0.00 C ATOM 369 O LEU A 24 11.550 -13.415 -9.710 1.00 0.00 O ATOM 370 CB LEU A 24 12.669 -11.030 -8.217 1.00 0.00 C ATOM 371 CG LEU A 24 12.580 -10.556 -6.764 1.00 0.00 C ATOM 372 CD1 LEU A 24 11.751 -9.273 -6.696 1.00 0.00 C ATOM 373 CD2 LEU A 24 11.910 -11.637 -5.913 1.00 0.00 C ATOM 0 H LEU A 24 14.123 -11.746 -10.050 1.00 0.00 H new ATOM 0 HA LEU A 24 13.605 -12.775 -7.296 1.00 0.00 H new ATOM 0 HB2 LEU A 24 13.323 -10.369 -8.786 1.00 0.00 H new ATOM 0 HB3 LEU A 24 11.686 -10.985 -8.685 1.00 0.00 H new ATOM 0 HG LEU A 24 13.584 -10.363 -6.385 1.00 0.00 H new ATOM 0 HD11 LEU A 24 11.687 -8.935 -5.662 1.00 0.00 H new ATOM 0 HD12 LEU A 24 12.226 -8.501 -7.301 1.00 0.00 H new ATOM 0 HD13 LEU A 24 10.748 -9.467 -7.077 1.00 0.00 H new ATOM 0 HD21 LEU A 24 11.847 -11.299 -4.879 1.00 0.00 H new ATOM 0 HD22 LEU A 24 10.907 -11.830 -6.293 1.00 0.00 H new ATOM 0 HD23 LEU A 24 12.498 -12.553 -5.960 1.00 0.00 H new ATOM 385 N ALA A 25 11.731 -14.313 -7.713 1.00 0.00 N ATOM 386 CA ALA A 25 10.648 -15.295 -8.006 1.00 0.00 C ATOM 387 C ALA A 25 9.356 -14.891 -7.291 1.00 0.00 C ATOM 388 O ALA A 25 9.308 -14.796 -6.080 1.00 0.00 O ATOM 389 CB ALA A 25 11.166 -16.628 -7.464 1.00 0.00 C ATOM 0 H ALA A 25 12.144 -14.386 -6.783 1.00 0.00 H new ATOM 0 HA ALA A 25 10.417 -15.348 -9.070 1.00 0.00 H new ATOM 0 HB1 ALA A 25 10.424 -17.406 -7.641 1.00 0.00 H new ATOM 0 HB2 ALA A 25 12.095 -16.890 -7.970 1.00 0.00 H new ATOM 0 HB3 ALA A 25 11.349 -16.539 -6.393 1.00 0.00 H new ATOM 395 N CYS A 26 8.307 -14.654 -8.031 1.00 0.00 N ATOM 396 CA CYS A 26 7.019 -14.259 -7.393 1.00 0.00 C ATOM 397 C CYS A 26 5.840 -14.760 -8.232 1.00 0.00 C ATOM 398 O CYS A 26 6.017 -15.437 -9.225 1.00 0.00 O ATOM 399 CB CYS A 26 7.044 -12.731 -7.359 1.00 0.00 C ATOM 400 SG CYS A 26 7.387 -12.172 -5.672 1.00 0.00 S ATOM 0 H CYS A 26 8.286 -14.717 -9.049 1.00 0.00 H new ATOM 0 HA CYS A 26 6.904 -14.685 -6.396 1.00 0.00 H new ATOM 0 HB2 CYS A 26 7.806 -12.354 -8.041 1.00 0.00 H new ATOM 0 HB3 CYS A 26 6.088 -12.333 -7.698 1.00 0.00 H new ATOM 405 N THR A 27 4.639 -14.433 -7.841 1.00 0.00 N ATOM 406 CA THR A 27 3.452 -14.893 -8.618 1.00 0.00 C ATOM 407 C THR A 27 2.767 -13.703 -9.296 1.00 0.00 C ATOM 408 O THR A 27 3.198 -12.574 -9.175 1.00 0.00 O ATOM 409 CB THR A 27 2.523 -15.528 -7.582 1.00 0.00 C ATOM 410 OG1 THR A 27 2.490 -14.715 -6.418 1.00 0.00 O ATOM 411 CG2 THR A 27 3.037 -16.923 -7.220 1.00 0.00 C ATOM 0 H THR A 27 4.428 -13.868 -7.018 1.00 0.00 H new ATOM 0 HA THR A 27 3.723 -15.594 -9.408 1.00 0.00 H new ATOM 0 HB THR A 27 1.518 -15.611 -7.996 1.00 0.00 H new ATOM 0 HG1 THR A 27 1.560 -14.499 -6.196 1.00 0.00 H new ATOM 0 HG21 THR A 27 2.374 -17.375 -6.482 1.00 0.00 H new ATOM 0 HG22 THR A 27 3.061 -17.545 -8.115 1.00 0.00 H new ATOM 0 HG23 THR A 27 4.042 -16.844 -6.805 1.00 0.00 H new ATOM 419 N ARG A 28 1.701 -13.949 -10.008 1.00 0.00 N ATOM 420 CA ARG A 28 0.987 -12.834 -10.693 1.00 0.00 C ATOM 421 C ARG A 28 0.050 -12.125 -9.711 1.00 0.00 C ATOM 422 O ARG A 28 -1.124 -11.953 -9.970 1.00 0.00 O ATOM 423 CB ARG A 28 0.185 -13.504 -11.809 1.00 0.00 C ATOM 424 CG ARG A 28 1.142 -14.168 -12.800 1.00 0.00 C ATOM 425 CD ARG A 28 0.346 -14.736 -13.976 1.00 0.00 C ATOM 426 NE ARG A 28 1.364 -15.382 -14.852 1.00 0.00 N ATOM 427 CZ ARG A 28 0.986 -16.060 -15.901 1.00 0.00 C ATOM 428 NH1 ARG A 28 1.229 -17.339 -15.974 1.00 0.00 N ATOM 429 NH2 ARG A 28 0.363 -15.457 -16.877 1.00 0.00 N ATOM 0 H ARG A 28 1.294 -14.874 -10.145 1.00 0.00 H new ATOM 0 HA ARG A 28 1.673 -12.080 -11.080 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -0.492 -14.247 -11.388 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -0.431 -12.765 -12.322 1.00 0.00 H new ATOM 0 HG2 ARG A 28 1.872 -13.443 -13.158 1.00 0.00 H new ATOM 0 HG3 ARG A 28 1.699 -14.964 -12.306 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -0.399 -15.457 -13.638 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -0.190 -13.949 -14.507 1.00 0.00 H new ATOM 0 HE ARG A 28 2.356 -15.294 -14.632 1.00 0.00 H new ATOM 0 HH11 ARG A 28 1.715 -17.810 -15.211 1.00 0.00 H new ATOM 0 HH12 ARG A 28 0.933 -17.868 -16.794 1.00 0.00 H new ATOM 0 HH21 ARG A 28 0.172 -14.457 -16.819 1.00 0.00 H new ATOM 0 HH22 ARG A 28 0.067 -15.986 -17.697 1.00 0.00 H new ATOM 443 N GLU A 29 0.561 -11.711 -8.583 1.00 0.00 N ATOM 444 CA GLU A 29 -0.301 -11.014 -7.585 1.00 0.00 C ATOM 445 C GLU A 29 -1.124 -9.918 -8.266 1.00 0.00 C ATOM 446 O GLU A 29 -0.651 -9.232 -9.151 1.00 0.00 O ATOM 447 CB GLU A 29 0.673 -10.403 -6.578 1.00 0.00 C ATOM 448 CG GLU A 29 1.434 -11.521 -5.861 1.00 0.00 C ATOM 449 CD GLU A 29 0.440 -12.430 -5.137 1.00 0.00 C ATOM 450 OE1 GLU A 29 -0.695 -12.019 -4.968 1.00 0.00 O ATOM 451 OE2 GLU A 29 0.832 -13.524 -4.763 1.00 0.00 O ATOM 0 H GLU A 29 1.537 -11.825 -8.309 1.00 0.00 H new ATOM 0 HA GLU A 29 -1.009 -11.692 -7.109 1.00 0.00 H new ATOM 0 HB2 GLU A 29 1.373 -9.741 -7.088 1.00 0.00 H new ATOM 0 HB3 GLU A 29 0.130 -9.795 -5.854 1.00 0.00 H new ATOM 0 HG2 GLU A 29 2.015 -12.099 -6.580 1.00 0.00 H new ATOM 0 HG3 GLU A 29 2.140 -11.096 -5.148 1.00 0.00 H new ATOM 458 N ASN A 30 -2.353 -9.746 -7.860 1.00 0.00 N ATOM 459 CA ASN A 30 -3.204 -8.693 -8.483 1.00 0.00 C ATOM 460 C ASN A 30 -3.145 -7.410 -7.650 1.00 0.00 C ATOM 461 O ASN A 30 -4.158 -6.873 -7.245 1.00 0.00 O ATOM 462 CB ASN A 30 -4.619 -9.272 -8.482 1.00 0.00 C ATOM 463 CG ASN A 30 -4.988 -9.712 -7.063 1.00 0.00 C ATOM 464 OD1 ASN A 30 -5.004 -8.911 -6.151 1.00 0.00 O ATOM 465 ND2 ASN A 30 -5.290 -10.962 -6.840 1.00 0.00 N ATOM 0 H ASN A 30 -2.804 -10.289 -7.124 1.00 0.00 H new ATOM 0 HA ASN A 30 -2.874 -8.435 -9.489 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -5.329 -8.526 -8.839 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -4.677 -10.120 -9.164 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -5.540 -11.266 -5.899 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -5.276 -11.635 -7.607 1.00 0.00 H new ATOM 472 N ASP A 31 -1.966 -6.915 -7.392 1.00 0.00 N ATOM 473 CA ASP A 31 -1.839 -5.667 -6.584 1.00 0.00 C ATOM 474 C ASP A 31 -0.772 -4.750 -7.194 1.00 0.00 C ATOM 475 O ASP A 31 0.361 -4.746 -6.754 1.00 0.00 O ATOM 476 CB ASP A 31 -1.412 -6.137 -5.193 1.00 0.00 C ATOM 477 CG ASP A 31 -2.627 -6.691 -4.445 1.00 0.00 C ATOM 478 OD1 ASP A 31 -3.003 -7.819 -4.718 1.00 0.00 O ATOM 479 OD2 ASP A 31 -3.161 -5.977 -3.612 1.00 0.00 O ATOM 0 H ASP A 31 -1.084 -7.320 -7.705 1.00 0.00 H new ATOM 0 HA ASP A 31 -2.768 -5.097 -6.553 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -0.643 -6.905 -5.277 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -0.976 -5.308 -4.636 1.00 0.00 H new ATOM 484 N PRO A 32 -1.168 -3.997 -8.191 1.00 0.00 N ATOM 485 CA PRO A 32 -0.232 -3.071 -8.866 1.00 0.00 C ATOM 486 C PRO A 32 0.275 -2.012 -7.886 1.00 0.00 C ATOM 487 O PRO A 32 -0.399 -1.647 -6.943 1.00 0.00 O ATOM 488 CB PRO A 32 -1.105 -2.439 -9.954 1.00 0.00 C ATOM 489 CG PRO A 32 -2.522 -3.036 -9.859 1.00 0.00 C ATOM 490 CD PRO A 32 -2.561 -4.034 -8.694 1.00 0.00 C ATOM 0 HA PRO A 32 0.658 -3.561 -9.261 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -1.142 -1.357 -9.828 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -0.679 -2.631 -10.939 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -3.255 -2.245 -9.703 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -2.785 -3.535 -10.792 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -3.277 -3.735 -7.928 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -2.846 -5.033 -9.025 1.00 0.00 H new ATOM 498 N ILE A 33 1.458 -1.516 -8.108 1.00 0.00 N ATOM 499 CA ILE A 33 2.017 -0.476 -7.196 1.00 0.00 C ATOM 500 C ILE A 33 2.975 0.436 -7.967 1.00 0.00 C ATOM 501 O ILE A 33 3.027 0.418 -9.181 1.00 0.00 O ATOM 502 CB ILE A 33 2.760 -1.245 -6.091 1.00 0.00 C ATOM 503 CG1 ILE A 33 4.146 -1.673 -6.583 1.00 0.00 C ATOM 504 CG2 ILE A 33 1.956 -2.486 -5.694 1.00 0.00 C ATOM 505 CD1 ILE A 33 4.011 -2.426 -7.905 1.00 0.00 C ATOM 0 H ILE A 33 2.065 -1.785 -8.882 1.00 0.00 H new ATOM 0 HA ILE A 33 1.239 0.161 -6.776 1.00 0.00 H new ATOM 0 HB ILE A 33 2.875 -0.591 -5.226 1.00 0.00 H new ATOM 0 HG12 ILE A 33 4.782 -0.798 -6.715 1.00 0.00 H new ATOM 0 HG13 ILE A 33 4.627 -2.308 -5.839 1.00 0.00 H new ATOM 0 HG21 ILE A 33 2.486 -3.028 -4.911 1.00 0.00 H new ATOM 0 HG22 ILE A 33 0.976 -2.182 -5.326 1.00 0.00 H new ATOM 0 HG23 ILE A 33 1.832 -3.133 -6.563 1.00 0.00 H new ATOM 0 HD11 ILE A 33 4.998 -2.730 -8.253 1.00 0.00 H new ATOM 0 HD12 ILE A 33 3.390 -3.310 -7.759 1.00 0.00 H new ATOM 0 HD13 ILE A 33 3.548 -1.777 -8.648 1.00 0.00 H new ATOM 517 N GLN A 34 3.733 1.232 -7.270 1.00 0.00 N ATOM 518 CA GLN A 34 4.689 2.147 -7.957 1.00 0.00 C ATOM 519 C GLN A 34 6.105 1.932 -7.420 1.00 0.00 C ATOM 520 O GLN A 34 6.296 1.452 -6.321 1.00 0.00 O ATOM 521 CB GLN A 34 4.197 3.556 -7.626 1.00 0.00 C ATOM 522 CG GLN A 34 2.717 3.681 -7.993 1.00 0.00 C ATOM 523 CD GLN A 34 2.181 5.025 -7.497 1.00 0.00 C ATOM 524 OE1 GLN A 34 2.713 5.599 -6.568 1.00 0.00 O ATOM 525 NE2 GLN A 34 1.140 5.554 -8.081 1.00 0.00 N ATOM 0 H GLN A 34 3.733 1.290 -6.252 1.00 0.00 H new ATOM 0 HA GLN A 34 4.728 1.972 -9.032 1.00 0.00 H new ATOM 0 HB2 GLN A 34 4.338 3.762 -6.565 1.00 0.00 H new ATOM 0 HB3 GLN A 34 4.782 4.295 -8.174 1.00 0.00 H new ATOM 0 HG2 GLN A 34 2.591 3.603 -9.073 1.00 0.00 H new ATOM 0 HG3 GLN A 34 2.150 2.864 -7.546 1.00 0.00 H new ATOM 0 HE21 GLN A 34 0.693 5.072 -8.861 1.00 0.00 H new ATOM 0 HE22 GLN A 34 0.774 6.449 -7.757 1.00 0.00 H new ATOM 534 N GLY A 35 7.100 2.284 -8.187 1.00 0.00 N ATOM 535 CA GLY A 35 8.501 2.099 -7.719 1.00 0.00 C ATOM 536 C GLY A 35 9.171 3.468 -7.553 1.00 0.00 C ATOM 537 O GLY A 35 8.610 4.478 -7.931 1.00 0.00 O ATOM 0 H GLY A 35 7.003 2.691 -9.117 1.00 0.00 H new ATOM 0 HA2 GLY A 35 8.511 1.560 -6.771 1.00 0.00 H new ATOM 0 HA3 GLY A 35 9.058 1.494 -8.435 1.00 0.00 H new ATOM 541 N PRO A 36 10.353 3.461 -6.986 1.00 0.00 N ATOM 542 CA PRO A 36 11.102 4.721 -6.767 1.00 0.00 C ATOM 543 C PRO A 36 11.391 5.416 -8.099 1.00 0.00 C ATOM 544 O PRO A 36 11.670 6.598 -8.146 1.00 0.00 O ATOM 545 CB PRO A 36 12.395 4.234 -6.108 1.00 0.00 C ATOM 546 CG PRO A 36 12.338 2.700 -5.976 1.00 0.00 C ATOM 547 CD PRO A 36 10.999 2.204 -6.538 1.00 0.00 C ATOM 0 HA PRO A 36 10.561 5.452 -6.165 1.00 0.00 H new ATOM 0 HB2 PRO A 36 13.258 4.530 -6.705 1.00 0.00 H new ATOM 0 HB3 PRO A 36 12.515 4.693 -5.127 1.00 0.00 H new ATOM 0 HG2 PRO A 36 13.167 2.244 -6.517 1.00 0.00 H new ATOM 0 HG3 PRO A 36 12.440 2.407 -4.931 1.00 0.00 H new ATOM 0 HD2 PRO A 36 11.139 1.504 -7.362 1.00 0.00 H new ATOM 0 HD3 PRO A 36 10.406 1.691 -5.781 1.00 0.00 H new ATOM 555 N ASP A 37 11.330 4.694 -9.185 1.00 0.00 N ATOM 556 CA ASP A 37 11.603 5.320 -10.510 1.00 0.00 C ATOM 557 C ASP A 37 10.427 6.197 -10.932 1.00 0.00 C ATOM 558 O ASP A 37 10.603 7.305 -11.399 1.00 0.00 O ATOM 559 CB ASP A 37 11.777 4.148 -11.477 1.00 0.00 C ATOM 560 CG ASP A 37 12.980 3.306 -11.046 1.00 0.00 C ATOM 561 OD1 ASP A 37 13.818 3.830 -10.331 1.00 0.00 O ATOM 562 OD2 ASP A 37 13.042 2.153 -11.438 1.00 0.00 O ATOM 0 H ASP A 37 11.103 3.700 -9.212 1.00 0.00 H new ATOM 0 HA ASP A 37 12.484 5.962 -10.489 1.00 0.00 H new ATOM 0 HB2 ASP A 37 10.876 3.535 -11.488 1.00 0.00 H new ATOM 0 HB3 ASP A 37 11.923 4.518 -12.492 1.00 0.00 H new ATOM 567 N GLY A 38 9.232 5.715 -10.766 1.00 0.00 N ATOM 568 CA GLY A 38 8.046 6.524 -11.151 1.00 0.00 C ATOM 569 C GLY A 38 7.095 5.679 -12.003 1.00 0.00 C ATOM 570 O GLY A 38 6.026 6.119 -12.375 1.00 0.00 O ATOM 0 H GLY A 38 9.024 4.794 -10.380 1.00 0.00 H new ATOM 0 HA2 GLY A 38 7.531 6.878 -10.258 1.00 0.00 H new ATOM 0 HA3 GLY A 38 8.362 7.406 -11.708 1.00 0.00 H new ATOM 574 N LYS A 39 7.474 4.470 -12.317 1.00 0.00 N ATOM 575 CA LYS A 39 6.588 3.605 -13.148 1.00 0.00 C ATOM 576 C LYS A 39 5.796 2.643 -12.259 1.00 0.00 C ATOM 577 O LYS A 39 6.176 2.359 -11.141 1.00 0.00 O ATOM 578 CB LYS A 39 7.533 2.824 -14.061 1.00 0.00 C ATOM 579 CG LYS A 39 8.500 3.790 -14.747 1.00 0.00 C ATOM 580 CD LYS A 39 9.603 2.992 -15.446 1.00 0.00 C ATOM 581 CE LYS A 39 10.608 3.956 -16.081 1.00 0.00 C ATOM 582 NZ LYS A 39 11.824 3.855 -15.226 1.00 0.00 N ATOM 0 H LYS A 39 8.357 4.044 -12.035 1.00 0.00 H new ATOM 0 HA LYS A 39 5.862 4.189 -13.713 1.00 0.00 H new ATOM 0 HB2 LYS A 39 8.089 2.088 -13.481 1.00 0.00 H new ATOM 0 HB3 LYS A 39 6.961 2.274 -14.809 1.00 0.00 H new ATOM 0 HG2 LYS A 39 7.965 4.404 -15.471 1.00 0.00 H new ATOM 0 HG3 LYS A 39 8.936 4.468 -14.013 1.00 0.00 H new ATOM 0 HD2 LYS A 39 10.108 2.344 -14.729 1.00 0.00 H new ATOM 0 HD3 LYS A 39 9.170 2.346 -16.210 1.00 0.00 H new ATOM 0 HE2 LYS A 39 10.825 3.678 -17.112 1.00 0.00 H new ATOM 0 HE3 LYS A 39 10.221 4.975 -16.100 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 12.257 4.795 -15.127 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 11.559 3.495 -14.287 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 12.505 3.205 -15.667 1.00 0.00 H new ATOM 596 N VAL A 40 4.701 2.133 -12.754 1.00 0.00 N ATOM 597 CA VAL A 40 3.888 1.181 -11.945 1.00 0.00 C ATOM 598 C VAL A 40 4.185 -0.256 -12.381 1.00 0.00 C ATOM 599 O VAL A 40 4.558 -0.506 -13.509 1.00 0.00 O ATOM 600 CB VAL A 40 2.434 1.545 -12.246 1.00 0.00 C ATOM 601 CG1 VAL A 40 1.503 0.642 -11.433 1.00 0.00 C ATOM 602 CG2 VAL A 40 2.184 3.006 -11.867 1.00 0.00 C ATOM 0 H VAL A 40 4.334 2.335 -13.684 1.00 0.00 H new ATOM 0 HA VAL A 40 4.108 1.245 -10.879 1.00 0.00 H new ATOM 0 HB VAL A 40 2.238 1.407 -13.309 1.00 0.00 H new ATOM 0 HG11 VAL A 40 0.466 0.901 -11.647 1.00 0.00 H new ATOM 0 HG12 VAL A 40 1.680 -0.399 -11.702 1.00 0.00 H new ATOM 0 HG13 VAL A 40 1.699 0.780 -10.370 1.00 0.00 H new ATOM 0 HG21 VAL A 40 1.147 3.265 -12.082 1.00 0.00 H new ATOM 0 HG22 VAL A 40 2.380 3.145 -10.804 1.00 0.00 H new ATOM 0 HG23 VAL A 40 2.846 3.650 -12.445 1.00 0.00 H new ATOM 612 N HIS A 41 4.030 -1.201 -11.495 1.00 0.00 N ATOM 613 CA HIS A 41 4.310 -2.617 -11.865 1.00 0.00 C ATOM 614 C HIS A 41 3.098 -3.499 -11.552 1.00 0.00 C ATOM 615 O HIS A 41 2.182 -3.092 -10.866 1.00 0.00 O ATOM 616 CB HIS A 41 5.511 -3.015 -11.009 1.00 0.00 C ATOM 617 CG HIS A 41 6.569 -1.949 -11.110 1.00 0.00 C ATOM 618 ND1 HIS A 41 7.408 -1.843 -12.208 1.00 0.00 N ATOM 619 CD2 HIS A 41 6.931 -0.929 -10.263 1.00 0.00 C ATOM 620 CE1 HIS A 41 8.225 -0.793 -11.996 1.00 0.00 C ATOM 621 NE2 HIS A 41 7.976 -0.202 -10.824 1.00 0.00 N ATOM 0 H HIS A 41 3.722 -1.055 -10.534 1.00 0.00 H new ATOM 0 HA HIS A 41 4.513 -2.737 -12.929 1.00 0.00 H new ATOM 0 HB2 HIS A 41 5.206 -3.143 -9.971 1.00 0.00 H new ATOM 0 HB3 HIS A 41 5.910 -3.972 -11.344 1.00 0.00 H new ATOM 0 HD2 HIS A 41 6.473 -0.723 -9.307 1.00 0.00 H new ATOM 0 HE1 HIS A 41 8.988 -0.469 -12.689 1.00 0.00 H new ATOM 0 HE2 HIS A 41 8.450 0.608 -10.426 1.00 0.00 H new ATOM 629 N GLY A 42 3.088 -4.703 -12.055 1.00 0.00 N ATOM 630 CA GLY A 42 1.936 -5.612 -11.795 1.00 0.00 C ATOM 631 C GLY A 42 1.831 -5.898 -10.295 1.00 0.00 C ATOM 632 O GLY A 42 0.810 -5.663 -9.679 1.00 0.00 O ATOM 0 H GLY A 42 3.829 -5.097 -12.635 1.00 0.00 H new ATOM 0 HA2 GLY A 42 1.013 -5.156 -12.153 1.00 0.00 H new ATOM 0 HA3 GLY A 42 2.065 -6.545 -12.344 1.00 0.00 H new ATOM 636 N ASN A 43 2.876 -6.405 -9.701 1.00 0.00 N ATOM 637 CA ASN A 43 2.829 -6.706 -8.242 1.00 0.00 C ATOM 638 C ASN A 43 3.938 -5.953 -7.507 1.00 0.00 C ATOM 639 O ASN A 43 4.562 -5.061 -8.046 1.00 0.00 O ATOM 640 CB ASN A 43 3.049 -8.214 -8.138 1.00 0.00 C ATOM 641 CG ASN A 43 4.324 -8.597 -8.890 1.00 0.00 C ATOM 642 OD1 ASN A 43 4.866 -7.805 -9.637 1.00 0.00 O ATOM 643 ND2 ASN A 43 4.832 -9.787 -8.723 1.00 0.00 N ATOM 0 H ASN A 43 3.759 -6.624 -10.162 1.00 0.00 H new ATOM 0 HA ASN A 43 1.885 -6.399 -7.791 1.00 0.00 H new ATOM 0 HB2 ASN A 43 3.129 -8.509 -7.092 1.00 0.00 H new ATOM 0 HB3 ASN A 43 2.194 -8.746 -8.555 1.00 0.00 H new ATOM 0 HD21 ASN A 43 5.683 -10.052 -9.219 1.00 0.00 H new ATOM 0 HD22 ASN A 43 4.378 -10.452 -8.097 1.00 0.00 H new ATOM 650 N THR A 44 4.184 -6.308 -6.278 1.00 0.00 N ATOM 651 CA THR A 44 5.250 -5.617 -5.499 1.00 0.00 C ATOM 652 C THR A 44 6.626 -6.166 -5.883 1.00 0.00 C ATOM 653 O THR A 44 7.611 -5.454 -5.879 1.00 0.00 O ATOM 654 CB THR A 44 4.938 -5.930 -4.035 1.00 0.00 C ATOM 655 OG1 THR A 44 3.816 -5.164 -3.618 1.00 0.00 O ATOM 656 CG2 THR A 44 6.147 -5.582 -3.166 1.00 0.00 C ATOM 0 H THR A 44 3.692 -7.048 -5.777 1.00 0.00 H new ATOM 0 HA THR A 44 5.271 -4.544 -5.691 1.00 0.00 H new ATOM 0 HB THR A 44 4.714 -6.992 -3.931 1.00 0.00 H new ATOM 0 HG1 THR A 44 3.613 -5.364 -2.680 1.00 0.00 H new ATOM 0 HG21 THR A 44 5.922 -5.806 -2.123 1.00 0.00 H new ATOM 0 HG22 THR A 44 7.007 -6.171 -3.486 1.00 0.00 H new ATOM 0 HG23 THR A 44 6.375 -4.521 -3.268 1.00 0.00 H new ATOM 664 N CYS A 45 6.702 -7.423 -6.220 1.00 0.00 N ATOM 665 CA CYS A 45 8.020 -8.004 -6.608 1.00 0.00 C ATOM 666 C CYS A 45 8.576 -7.251 -7.814 1.00 0.00 C ATOM 667 O CYS A 45 9.673 -6.731 -7.779 1.00 0.00 O ATOM 668 CB CYS A 45 7.742 -9.463 -6.968 1.00 0.00 C ATOM 669 SG CYS A 45 6.778 -10.247 -5.652 1.00 0.00 S ATOM 0 H CYS A 45 5.915 -8.071 -6.244 1.00 0.00 H new ATOM 0 HA CYS A 45 8.755 -7.929 -5.806 1.00 0.00 H new ATOM 0 HB2 CYS A 45 7.198 -9.517 -7.911 1.00 0.00 H new ATOM 0 HB3 CYS A 45 8.681 -9.997 -7.111 1.00 0.00 H new ATOM 674 N SER A 46 7.825 -7.173 -8.880 1.00 0.00 N ATOM 675 CA SER A 46 8.320 -6.435 -10.074 1.00 0.00 C ATOM 676 C SER A 46 8.921 -5.105 -9.620 1.00 0.00 C ATOM 677 O SER A 46 9.800 -4.555 -10.253 1.00 0.00 O ATOM 678 CB SER A 46 7.085 -6.207 -10.946 1.00 0.00 C ATOM 679 OG SER A 46 6.656 -7.446 -11.492 1.00 0.00 O ATOM 0 H SER A 46 6.897 -7.586 -8.974 1.00 0.00 H new ATOM 0 HA SER A 46 9.092 -6.976 -10.621 1.00 0.00 H new ATOM 0 HB2 SER A 46 6.285 -5.762 -10.354 1.00 0.00 H new ATOM 0 HB3 SER A 46 7.317 -5.505 -11.747 1.00 0.00 H new ATOM 0 HG SER A 46 5.789 -7.691 -11.107 1.00 0.00 H new ATOM 685 N MET A 47 8.462 -4.598 -8.509 1.00 0.00 N ATOM 686 CA MET A 47 9.015 -3.319 -7.986 1.00 0.00 C ATOM 687 C MET A 47 10.253 -3.625 -7.146 1.00 0.00 C ATOM 688 O MET A 47 11.196 -2.861 -7.096 1.00 0.00 O ATOM 689 CB MET A 47 7.906 -2.733 -7.114 1.00 0.00 C ATOM 690 CG MET A 47 7.986 -1.205 -7.144 1.00 0.00 C ATOM 691 SD MET A 47 9.482 -0.667 -6.279 1.00 0.00 S ATOM 692 CE MET A 47 8.851 -0.860 -4.594 1.00 0.00 C ATOM 0 H MET A 47 7.726 -5.016 -7.940 1.00 0.00 H new ATOM 0 HA MET A 47 9.309 -2.626 -8.775 1.00 0.00 H new ATOM 0 HB2 MET A 47 6.932 -3.064 -7.475 1.00 0.00 H new ATOM 0 HB3 MET A 47 8.006 -3.093 -6.090 1.00 0.00 H new ATOM 0 HG2 MET A 47 8.001 -0.850 -8.175 1.00 0.00 H new ATOM 0 HG3 MET A 47 7.104 -0.774 -6.671 1.00 0.00 H new ATOM 0 HE1 MET A 47 8.831 0.111 -4.100 1.00 0.00 H new ATOM 0 HE2 MET A 47 7.842 -1.271 -4.628 1.00 0.00 H new ATOM 0 HE3 MET A 47 9.500 -1.537 -4.038 1.00 0.00 H new ATOM 702 N CYS A 48 10.249 -4.752 -6.492 1.00 0.00 N ATOM 703 CA CYS A 48 11.415 -5.143 -5.653 1.00 0.00 C ATOM 704 C CYS A 48 12.495 -5.783 -6.529 1.00 0.00 C ATOM 705 O CYS A 48 13.661 -5.793 -6.187 1.00 0.00 O ATOM 706 CB CYS A 48 10.851 -6.158 -4.653 1.00 0.00 C ATOM 707 SG CYS A 48 10.301 -5.298 -3.155 1.00 0.00 S ATOM 0 H CYS A 48 9.482 -5.424 -6.503 1.00 0.00 H new ATOM 0 HA CYS A 48 11.878 -4.293 -5.151 1.00 0.00 H new ATOM 0 HB2 CYS A 48 10.017 -6.699 -5.100 1.00 0.00 H new ATOM 0 HB3 CYS A 48 11.612 -6.897 -4.401 1.00 0.00 H new ATOM 712 N GLU A 49 12.116 -6.313 -7.663 1.00 0.00 N ATOM 713 CA GLU A 49 13.123 -6.945 -8.564 1.00 0.00 C ATOM 714 C GLU A 49 14.071 -5.873 -9.114 1.00 0.00 C ATOM 715 O GLU A 49 15.276 -6.027 -9.093 1.00 0.00 O ATOM 716 CB GLU A 49 12.297 -7.602 -9.682 1.00 0.00 C ATOM 717 CG GLU A 49 12.072 -6.624 -10.841 1.00 0.00 C ATOM 718 CD GLU A 49 11.390 -7.355 -11.998 1.00 0.00 C ATOM 719 OE1 GLU A 49 11.173 -8.549 -11.872 1.00 0.00 O ATOM 720 OE2 GLU A 49 11.095 -6.710 -12.990 1.00 0.00 O ATOM 0 H GLU A 49 11.155 -6.335 -8.003 1.00 0.00 H new ATOM 0 HA GLU A 49 13.749 -7.678 -8.056 1.00 0.00 H new ATOM 0 HB2 GLU A 49 12.812 -8.491 -10.046 1.00 0.00 H new ATOM 0 HB3 GLU A 49 11.336 -7.930 -9.285 1.00 0.00 H new ATOM 0 HG2 GLU A 49 11.456 -5.788 -10.511 1.00 0.00 H new ATOM 0 HG3 GLU A 49 13.024 -6.208 -11.170 1.00 0.00 H new ATOM 727 N VAL A 50 13.535 -4.780 -9.586 1.00 0.00 N ATOM 728 CA VAL A 50 14.408 -3.697 -10.113 1.00 0.00 C ATOM 729 C VAL A 50 15.413 -3.323 -9.041 1.00 0.00 C ATOM 730 O VAL A 50 16.598 -3.202 -9.282 1.00 0.00 O ATOM 731 CB VAL A 50 13.468 -2.524 -10.375 1.00 0.00 C ATOM 732 CG1 VAL A 50 14.264 -1.348 -10.940 1.00 0.00 C ATOM 733 CG2 VAL A 50 12.395 -2.957 -11.368 1.00 0.00 C ATOM 0 H VAL A 50 12.533 -4.592 -9.629 1.00 0.00 H new ATOM 0 HA VAL A 50 14.953 -3.987 -11.011 1.00 0.00 H new ATOM 0 HB VAL A 50 12.993 -2.214 -9.444 1.00 0.00 H new ATOM 0 HG11 VAL A 50 13.592 -0.510 -11.127 1.00 0.00 H new ATOM 0 HG12 VAL A 50 15.028 -1.048 -10.223 1.00 0.00 H new ATOM 0 HG13 VAL A 50 14.741 -1.646 -11.874 1.00 0.00 H new ATOM 0 HG21 VAL A 50 11.719 -2.124 -11.560 1.00 0.00 H new ATOM 0 HG22 VAL A 50 12.866 -3.265 -12.302 1.00 0.00 H new ATOM 0 HG23 VAL A 50 11.831 -3.793 -10.953 1.00 0.00 H new ATOM 743 N PHE A 51 14.933 -3.155 -7.846 1.00 0.00 N ATOM 744 CA PHE A 51 15.840 -2.806 -6.725 1.00 0.00 C ATOM 745 C PHE A 51 16.847 -3.934 -6.531 1.00 0.00 C ATOM 746 O PHE A 51 18.029 -3.712 -6.356 1.00 0.00 O ATOM 747 CB PHE A 51 14.930 -2.675 -5.506 1.00 0.00 C ATOM 748 CG PHE A 51 15.779 -2.577 -4.268 1.00 0.00 C ATOM 749 CD1 PHE A 51 16.746 -1.572 -4.165 1.00 0.00 C ATOM 750 CD2 PHE A 51 15.602 -3.489 -3.224 1.00 0.00 C ATOM 751 CE1 PHE A 51 17.540 -1.479 -3.015 1.00 0.00 C ATOM 752 CE2 PHE A 51 16.393 -3.399 -2.073 1.00 0.00 C ATOM 753 CZ PHE A 51 17.362 -2.394 -1.969 1.00 0.00 C ATOM 0 H PHE A 51 13.948 -3.245 -7.596 1.00 0.00 H new ATOM 0 HA PHE A 51 16.403 -1.890 -6.900 1.00 0.00 H new ATOM 0 HB2 PHE A 51 14.299 -1.791 -5.601 1.00 0.00 H new ATOM 0 HB3 PHE A 51 14.265 -3.536 -5.439 1.00 0.00 H new ATOM 0 HD1 PHE A 51 16.881 -0.867 -4.972 1.00 0.00 H new ATOM 0 HD2 PHE A 51 14.854 -4.264 -3.305 1.00 0.00 H new ATOM 0 HE1 PHE A 51 18.288 -0.704 -2.935 1.00 0.00 H new ATOM 0 HE2 PHE A 51 16.256 -4.104 -1.266 1.00 0.00 H new ATOM 0 HZ PHE A 51 17.973 -2.324 -1.081 1.00 0.00 H new ATOM 763 N PHE A 52 16.381 -5.149 -6.578 1.00 0.00 N ATOM 764 CA PHE A 52 17.298 -6.310 -6.417 1.00 0.00 C ATOM 765 C PHE A 52 18.290 -6.339 -7.580 1.00 0.00 C ATOM 766 O PHE A 52 19.471 -6.559 -7.397 1.00 0.00 O ATOM 767 CB PHE A 52 16.387 -7.537 -6.448 1.00 0.00 C ATOM 768 CG PHE A 52 15.902 -7.839 -5.051 1.00 0.00 C ATOM 769 CD1 PHE A 52 16.795 -7.788 -3.972 1.00 0.00 C ATOM 770 CD2 PHE A 52 14.559 -8.168 -4.832 1.00 0.00 C ATOM 771 CE1 PHE A 52 16.344 -8.066 -2.677 1.00 0.00 C ATOM 772 CE2 PHE A 52 14.109 -8.446 -3.537 1.00 0.00 C ATOM 773 CZ PHE A 52 15.001 -8.396 -2.460 1.00 0.00 C ATOM 0 H PHE A 52 15.400 -5.389 -6.722 1.00 0.00 H new ATOM 0 HA PHE A 52 17.881 -6.267 -5.497 1.00 0.00 H new ATOM 0 HB2 PHE A 52 15.538 -7.357 -7.108 1.00 0.00 H new ATOM 0 HB3 PHE A 52 16.927 -8.394 -6.850 1.00 0.00 H new ATOM 0 HD1 PHE A 52 17.831 -7.534 -4.140 1.00 0.00 H new ATOM 0 HD2 PHE A 52 13.870 -8.207 -5.663 1.00 0.00 H new ATOM 0 HE1 PHE A 52 17.032 -8.026 -1.845 1.00 0.00 H new ATOM 0 HE2 PHE A 52 13.073 -8.699 -3.368 1.00 0.00 H new ATOM 0 HZ PHE A 52 14.653 -8.612 -1.461 1.00 0.00 H new ATOM 783 N GLN A 53 17.820 -6.104 -8.774 1.00 0.00 N ATOM 784 CA GLN A 53 18.741 -6.101 -9.945 1.00 0.00 C ATOM 785 C GLN A 53 19.764 -4.978 -9.783 1.00 0.00 C ATOM 786 O GLN A 53 20.949 -5.166 -9.975 1.00 0.00 O ATOM 787 CB GLN A 53 17.844 -5.837 -11.152 1.00 0.00 C ATOM 788 CG GLN A 53 18.562 -6.281 -12.430 1.00 0.00 C ATOM 789 CD GLN A 53 17.654 -6.037 -13.637 1.00 0.00 C ATOM 790 OE1 GLN A 53 17.133 -6.968 -14.218 1.00 0.00 O ATOM 791 NE2 GLN A 53 17.444 -4.815 -14.043 1.00 0.00 N ATOM 0 H GLN A 53 16.841 -5.914 -8.989 1.00 0.00 H new ATOM 0 HA GLN A 53 19.294 -7.035 -10.050 1.00 0.00 H new ATOM 0 HB2 GLN A 53 16.903 -6.377 -11.044 1.00 0.00 H new ATOM 0 HB3 GLN A 53 17.598 -4.777 -11.210 1.00 0.00 H new ATOM 0 HG2 GLN A 53 19.495 -5.729 -12.546 1.00 0.00 H new ATOM 0 HG3 GLN A 53 18.822 -7.337 -12.365 1.00 0.00 H new ATOM 0 HE21 GLN A 53 17.881 -4.033 -13.555 1.00 0.00 H new ATOM 0 HE22 GLN A 53 16.842 -4.641 -14.848 1.00 0.00 H new ATOM 800 N ALA A 54 19.309 -3.810 -9.422 1.00 0.00 N ATOM 801 CA ALA A 54 20.244 -2.665 -9.237 1.00 0.00 C ATOM 802 C ALA A 54 21.294 -3.012 -8.177 1.00 0.00 C ATOM 803 O ALA A 54 22.455 -2.681 -8.309 1.00 0.00 O ATOM 804 CB ALA A 54 19.366 -1.508 -8.762 1.00 0.00 C ATOM 0 H ALA A 54 18.327 -3.599 -9.247 1.00 0.00 H new ATOM 0 HA ALA A 54 20.782 -2.417 -10.152 1.00 0.00 H new ATOM 0 HB1 ALA A 54 19.984 -0.624 -8.603 1.00 0.00 H new ATOM 0 HB2 ALA A 54 18.610 -1.291 -9.517 1.00 0.00 H new ATOM 0 HB3 ALA A 54 18.877 -1.782 -7.827 1.00 0.00 H new ATOM 810 N GLU A 55 20.894 -3.681 -7.129 1.00 0.00 N ATOM 811 CA GLU A 55 21.874 -4.050 -6.067 1.00 0.00 C ATOM 812 C GLU A 55 23.077 -4.758 -6.692 1.00 0.00 C ATOM 813 O GLU A 55 24.182 -4.690 -6.188 1.00 0.00 O ATOM 814 CB GLU A 55 21.113 -4.999 -5.138 1.00 0.00 C ATOM 815 CG GLU A 55 20.212 -4.185 -4.207 1.00 0.00 C ATOM 816 CD GLU A 55 19.508 -5.128 -3.229 1.00 0.00 C ATOM 817 OE1 GLU A 55 19.688 -6.328 -3.358 1.00 0.00 O ATOM 818 OE2 GLU A 55 18.800 -4.635 -2.366 1.00 0.00 O ATOM 0 H GLU A 55 19.935 -3.987 -6.963 1.00 0.00 H new ATOM 0 HA GLU A 55 22.257 -3.181 -5.532 1.00 0.00 H new ATOM 0 HB2 GLU A 55 20.514 -5.696 -5.724 1.00 0.00 H new ATOM 0 HB3 GLU A 55 21.815 -5.594 -4.554 1.00 0.00 H new ATOM 0 HG2 GLU A 55 20.804 -3.451 -3.660 1.00 0.00 H new ATOM 0 HG3 GLU A 55 19.476 -3.630 -4.789 1.00 0.00 H new ATOM 825 N GLU A 56 22.872 -5.433 -7.787 1.00 0.00 N ATOM 826 CA GLU A 56 24.002 -6.144 -8.451 1.00 0.00 C ATOM 827 C GLU A 56 25.036 -5.135 -8.959 1.00 0.00 C ATOM 828 O GLU A 56 26.228 -5.365 -8.890 1.00 0.00 O ATOM 829 CB GLU A 56 23.365 -6.893 -9.621 1.00 0.00 C ATOM 830 CG GLU A 56 22.398 -7.950 -9.084 1.00 0.00 C ATOM 831 CD GLU A 56 22.064 -8.948 -10.195 1.00 0.00 C ATOM 832 OE1 GLU A 56 21.927 -8.518 -11.328 1.00 0.00 O ATOM 833 OE2 GLU A 56 21.953 -10.124 -9.894 1.00 0.00 O ATOM 0 H GLU A 56 21.969 -5.524 -8.253 1.00 0.00 H new ATOM 0 HA GLU A 56 24.523 -6.818 -7.771 1.00 0.00 H new ATOM 0 HB2 GLU A 56 22.834 -6.195 -10.268 1.00 0.00 H new ATOM 0 HB3 GLU A 56 24.137 -7.366 -10.228 1.00 0.00 H new ATOM 0 HG2 GLU A 56 22.845 -8.469 -8.236 1.00 0.00 H new ATOM 0 HG3 GLU A 56 21.487 -7.474 -8.722 1.00 0.00 H new ATOM 840 N GLU A 57 24.590 -4.019 -9.468 1.00 0.00 N ATOM 841 CA GLU A 57 25.548 -2.998 -9.981 1.00 0.00 C ATOM 842 C GLU A 57 26.154 -2.204 -8.819 1.00 0.00 C ATOM 843 O GLU A 57 27.268 -1.729 -8.895 1.00 0.00 O ATOM 844 CB GLU A 57 24.711 -2.082 -10.876 1.00 0.00 C ATOM 845 CG GLU A 57 24.021 -2.916 -11.959 1.00 0.00 C ATOM 846 CD GLU A 57 25.044 -3.314 -13.025 1.00 0.00 C ATOM 847 OE1 GLU A 57 26.154 -2.812 -12.970 1.00 0.00 O ATOM 848 OE2 GLU A 57 24.698 -4.114 -13.880 1.00 0.00 O ATOM 0 H GLU A 57 23.604 -3.770 -9.551 1.00 0.00 H new ATOM 0 HA GLU A 57 26.379 -3.450 -10.522 1.00 0.00 H new ATOM 0 HB2 GLU A 57 23.967 -1.554 -10.279 1.00 0.00 H new ATOM 0 HB3 GLU A 57 25.347 -1.325 -11.335 1.00 0.00 H new ATOM 0 HG2 GLU A 57 23.574 -3.807 -11.518 1.00 0.00 H new ATOM 0 HG3 GLU A 57 23.211 -2.345 -12.412 1.00 0.00 H new ATOM 855 N GLU A 58 25.426 -2.059 -7.745 1.00 0.00 N ATOM 856 CA GLU A 58 25.963 -1.296 -6.581 1.00 0.00 C ATOM 857 C GLU A 58 27.262 -1.936 -6.082 1.00 0.00 C ATOM 858 O GLU A 58 28.007 -1.344 -5.327 1.00 0.00 O ATOM 859 CB GLU A 58 24.874 -1.386 -5.511 1.00 0.00 C ATOM 860 CG GLU A 58 25.457 -0.982 -4.155 1.00 0.00 C ATOM 861 CD GLU A 58 24.369 -1.076 -3.083 1.00 0.00 C ATOM 862 OE1 GLU A 58 23.384 -1.754 -3.325 1.00 0.00 O ATOM 863 OE2 GLU A 58 24.540 -0.470 -2.038 1.00 0.00 O ATOM 0 H GLU A 58 24.485 -2.434 -7.623 1.00 0.00 H new ATOM 0 HA GLU A 58 26.197 -0.263 -6.837 1.00 0.00 H new ATOM 0 HB2 GLU A 58 24.040 -0.733 -5.770 1.00 0.00 H new ATOM 0 HB3 GLU A 58 24.480 -2.401 -5.462 1.00 0.00 H new ATOM 0 HG2 GLU A 58 26.293 -1.633 -3.898 1.00 0.00 H new ATOM 0 HG3 GLU A 58 25.848 0.034 -4.203 1.00 0.00 H new ATOM 870 N LYS A 59 27.537 -3.142 -6.498 1.00 0.00 N ATOM 871 CA LYS A 59 28.788 -3.817 -6.047 1.00 0.00 C ATOM 872 C LYS A 59 29.982 -3.301 -6.852 1.00 0.00 C ATOM 873 O LYS A 59 31.121 -3.614 -6.563 1.00 0.00 O ATOM 874 CB LYS A 59 28.557 -5.303 -6.324 1.00 0.00 C ATOM 875 CG LYS A 59 27.361 -5.795 -5.509 1.00 0.00 C ATOM 876 CD LYS A 59 27.101 -7.269 -5.827 1.00 0.00 C ATOM 877 CE LYS A 59 25.680 -7.641 -5.399 1.00 0.00 C ATOM 878 NZ LYS A 59 25.267 -8.717 -6.344 1.00 0.00 N ATOM 0 H LYS A 59 26.951 -3.689 -7.129 1.00 0.00 H new ATOM 0 HA LYS A 59 29.006 -3.628 -4.996 1.00 0.00 H new ATOM 0 HB2 LYS A 59 28.376 -5.462 -7.387 1.00 0.00 H new ATOM 0 HB3 LYS A 59 29.448 -5.875 -6.064 1.00 0.00 H new ATOM 0 HG2 LYS A 59 27.557 -5.670 -4.444 1.00 0.00 H new ATOM 0 HG3 LYS A 59 26.478 -5.200 -5.743 1.00 0.00 H new ATOM 0 HD2 LYS A 59 27.230 -7.450 -6.894 1.00 0.00 H new ATOM 0 HD3 LYS A 59 27.825 -7.897 -5.308 1.00 0.00 H new ATOM 0 HE2 LYS A 59 25.657 -7.991 -4.367 1.00 0.00 H new ATOM 0 HE3 LYS A 59 25.011 -6.783 -5.460 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 24.239 -8.671 -6.495 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 25.757 -8.588 -7.252 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 25.517 -9.644 -5.945 1.00 0.00 H new ATOM 892 N LYS A 60 29.733 -2.512 -7.861 1.00 0.00 N ATOM 893 CA LYS A 60 30.854 -1.978 -8.683 1.00 0.00 C ATOM 894 C LYS A 60 31.651 -0.944 -7.883 1.00 0.00 C ATOM 895 O LYS A 60 32.780 -0.631 -8.206 1.00 0.00 O ATOM 896 CB LYS A 60 30.183 -1.322 -9.889 1.00 0.00 C ATOM 897 CG LYS A 60 29.410 -0.084 -9.431 1.00 0.00 C ATOM 898 CD LYS A 60 28.482 0.383 -10.555 1.00 0.00 C ATOM 899 CE LYS A 60 27.998 1.803 -10.258 1.00 0.00 C ATOM 900 NZ LYS A 60 28.262 2.565 -11.511 1.00 0.00 N ATOM 0 H LYS A 60 28.802 -2.214 -8.151 1.00 0.00 H new ATOM 0 HA LYS A 60 31.555 -2.757 -8.981 1.00 0.00 H new ATOM 0 HB2 LYS A 60 30.933 -1.043 -10.629 1.00 0.00 H new ATOM 0 HB3 LYS A 60 29.507 -2.028 -10.371 1.00 0.00 H new ATOM 0 HG2 LYS A 60 28.829 -0.315 -8.538 1.00 0.00 H new ATOM 0 HG3 LYS A 60 30.104 0.713 -9.163 1.00 0.00 H new ATOM 0 HD2 LYS A 60 29.008 0.359 -11.509 1.00 0.00 H new ATOM 0 HD3 LYS A 60 27.631 -0.292 -10.643 1.00 0.00 H new ATOM 0 HE2 LYS A 60 26.938 1.815 -10.004 1.00 0.00 H new ATOM 0 HE3 LYS A 60 28.533 2.235 -9.412 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 27.957 3.552 -11.388 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 29.280 2.541 -11.724 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 27.734 2.135 -12.297 1.00 0.00 H new ATOM 914 N LYS A 61 31.073 -0.412 -6.842 1.00 0.00 N ATOM 915 CA LYS A 61 31.798 0.601 -6.022 1.00 0.00 C ATOM 916 C LYS A 61 33.008 -0.040 -5.337 1.00 0.00 C ATOM 917 O LYS A 61 33.134 -1.248 -5.283 1.00 0.00 O ATOM 918 CB LYS A 61 30.781 1.072 -4.982 1.00 0.00 C ATOM 919 CG LYS A 61 29.556 1.652 -5.693 1.00 0.00 C ATOM 920 CD LYS A 61 28.489 2.013 -4.659 1.00 0.00 C ATOM 921 CE LYS A 61 27.190 2.391 -5.375 1.00 0.00 C ATOM 922 NZ LYS A 61 27.217 3.878 -5.454 1.00 0.00 N ATOM 0 H LYS A 61 30.130 -0.634 -6.523 1.00 0.00 H new ATOM 0 HA LYS A 61 32.175 1.426 -6.626 1.00 0.00 H new ATOM 0 HB2 LYS A 61 30.484 0.239 -4.345 1.00 0.00 H new ATOM 0 HB3 LYS A 61 31.229 1.825 -4.334 1.00 0.00 H new ATOM 0 HG2 LYS A 61 29.839 2.537 -6.264 1.00 0.00 H new ATOM 0 HG3 LYS A 61 29.158 0.928 -6.404 1.00 0.00 H new ATOM 0 HD2 LYS A 61 28.316 1.170 -3.990 1.00 0.00 H new ATOM 0 HD3 LYS A 61 28.832 2.844 -4.042 1.00 0.00 H new ATOM 0 HE2 LYS A 61 27.141 1.943 -6.368 1.00 0.00 H new ATOM 0 HE3 LYS A 61 26.318 2.040 -4.823 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 26.358 4.216 -5.933 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 27.257 4.276 -4.494 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 28.055 4.182 -5.990 1.00 0.00 H new ATOM 936 N LYS A 62 33.899 0.757 -4.814 1.00 0.00 N ATOM 937 CA LYS A 62 35.099 0.190 -4.134 1.00 0.00 C ATOM 938 C LYS A 62 34.687 -0.523 -2.843 1.00 0.00 C ATOM 939 O LYS A 62 35.454 -1.263 -2.260 1.00 0.00 O ATOM 940 CB LYS A 62 35.983 1.398 -3.821 1.00 0.00 C ATOM 941 CG LYS A 62 36.349 2.113 -5.122 1.00 0.00 C ATOM 942 CD LYS A 62 37.246 3.313 -4.810 1.00 0.00 C ATOM 943 CE LYS A 62 37.499 4.109 -6.091 1.00 0.00 C ATOM 944 NZ LYS A 62 38.815 4.772 -5.875 1.00 0.00 N ATOM 0 H LYS A 62 33.848 1.776 -4.828 1.00 0.00 H new ATOM 0 HA LYS A 62 35.616 -0.545 -4.751 1.00 0.00 H new ATOM 0 HB2 LYS A 62 35.459 2.082 -3.153 1.00 0.00 H new ATOM 0 HB3 LYS A 62 36.887 1.076 -3.304 1.00 0.00 H new ATOM 0 HG2 LYS A 62 36.863 1.426 -5.795 1.00 0.00 H new ATOM 0 HG3 LYS A 62 35.446 2.444 -5.634 1.00 0.00 H new ATOM 0 HD2 LYS A 62 36.773 3.949 -4.062 1.00 0.00 H new ATOM 0 HD3 LYS A 62 38.192 2.973 -4.388 1.00 0.00 H new ATOM 0 HE2 LYS A 62 37.524 3.456 -6.964 1.00 0.00 H new ATOM 0 HE3 LYS A 62 36.711 4.842 -6.263 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 39.060 5.339 -6.712 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 38.759 5.392 -5.042 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 39.547 4.049 -5.720 1.00 0.00 H new ATOM 958 N GLU A 63 33.483 -0.305 -2.391 1.00 0.00 N ATOM 959 CA GLU A 63 33.025 -0.971 -1.138 1.00 0.00 C ATOM 960 C GLU A 63 32.670 -2.435 -1.416 1.00 0.00 C ATOM 961 O GLU A 63 32.640 -3.256 -0.522 1.00 0.00 O ATOM 962 CB GLU A 63 31.783 -0.191 -0.707 1.00 0.00 C ATOM 963 CG GLU A 63 32.185 1.229 -0.308 1.00 0.00 C ATOM 964 CD GLU A 63 30.968 1.965 0.259 1.00 0.00 C ATOM 965 OE1 GLU A 63 29.884 1.407 0.203 1.00 0.00 O ATOM 966 OE2 GLU A 63 31.141 3.072 0.740 1.00 0.00 O ATOM 0 H GLU A 63 32.796 0.305 -2.834 1.00 0.00 H new ATOM 0 HA GLU A 63 33.794 -0.972 -0.366 1.00 0.00 H new ATOM 0 HB2 GLU A 63 31.059 -0.160 -1.521 1.00 0.00 H new ATOM 0 HB3 GLU A 63 31.299 -0.692 0.131 1.00 0.00 H new ATOM 0 HG2 GLU A 63 32.982 1.197 0.434 1.00 0.00 H new ATOM 0 HG3 GLU A 63 32.576 1.764 -1.173 1.00 0.00 H new ATOM 973 N GLY A 64 32.401 -2.766 -2.649 1.00 0.00 N ATOM 974 CA GLY A 64 32.049 -4.174 -2.982 1.00 0.00 C ATOM 975 C GLY A 64 33.314 -5.033 -2.970 1.00 0.00 C ATOM 976 O GLY A 64 33.266 -6.223 -2.731 1.00 0.00 O ATOM 0 H GLY A 64 32.410 -2.122 -3.440 1.00 0.00 H new ATOM 0 HA2 GLY A 64 31.328 -4.560 -2.261 1.00 0.00 H new ATOM 0 HA3 GLY A 64 31.575 -4.219 -3.963 1.00 0.00 H new ATOM 980 N GLU A 65 34.448 -4.440 -3.227 1.00 0.00 N ATOM 981 CA GLU A 65 35.716 -5.226 -3.230 1.00 0.00 C ATOM 982 C GLU A 65 36.548 -4.891 -1.989 1.00 0.00 C ATOM 983 O GLU A 65 36.420 -3.831 -1.411 1.00 0.00 O ATOM 984 CB GLU A 65 36.448 -4.790 -4.500 1.00 0.00 C ATOM 985 CG GLU A 65 35.556 -5.045 -5.717 1.00 0.00 C ATOM 986 CD GLU A 65 36.290 -4.615 -6.987 1.00 0.00 C ATOM 987 OE1 GLU A 65 37.302 -3.944 -6.864 1.00 0.00 O ATOM 988 OE2 GLU A 65 35.830 -4.964 -8.062 1.00 0.00 O ATOM 0 H GLU A 65 34.552 -3.447 -3.435 1.00 0.00 H new ATOM 0 HA GLU A 65 35.537 -6.301 -3.211 1.00 0.00 H new ATOM 0 HB2 GLU A 65 36.705 -3.732 -4.439 1.00 0.00 H new ATOM 0 HB3 GLU A 65 37.384 -5.340 -4.600 1.00 0.00 H new ATOM 0 HG2 GLU A 65 35.296 -6.102 -5.775 1.00 0.00 H new ATOM 0 HG3 GLU A 65 34.622 -4.491 -5.619 1.00 0.00 H new ATOM 995 N SER A 66 37.399 -5.790 -1.576 1.00 0.00 N ATOM 996 CA SER A 66 38.239 -5.523 -0.372 1.00 0.00 C ATOM 997 C SER A 66 39.040 -4.231 -0.561 1.00 0.00 C ATOM 998 O SER A 66 39.408 -3.873 -1.662 1.00 0.00 O ATOM 999 CB SER A 66 39.177 -6.726 -0.271 1.00 0.00 C ATOM 1000 OG SER A 66 38.410 -7.919 -0.195 1.00 0.00 O ATOM 0 H SER A 66 37.549 -6.697 -2.019 1.00 0.00 H new ATOM 0 HA SER A 66 37.640 -5.395 0.530 1.00 0.00 H new ATOM 0 HB2 SER A 66 39.837 -6.760 -1.138 1.00 0.00 H new ATOM 0 HB3 SER A 66 39.812 -6.633 0.610 1.00 0.00 H new ATOM 0 HG SER A 66 39.011 -8.691 -0.132 1.00 0.00 H new ATOM 1006 N ARG A 67 39.312 -3.529 0.505 1.00 0.00 N ATOM 1007 CA ARG A 67 40.088 -2.262 0.385 1.00 0.00 C ATOM 1008 C ARG A 67 41.423 -2.524 -0.318 1.00 0.00 C ATOM 1009 O ARG A 67 41.924 -1.693 -1.050 1.00 0.00 O ATOM 1010 CB ARG A 67 40.323 -1.804 1.824 1.00 0.00 C ATOM 1011 CG ARG A 67 38.975 -1.529 2.497 1.00 0.00 C ATOM 1012 CD ARG A 67 39.211 -0.961 3.897 1.00 0.00 C ATOM 1013 NE ARG A 67 37.881 -1.028 4.566 1.00 0.00 N ATOM 1014 CZ ARG A 67 36.996 -0.093 4.352 1.00 0.00 C ATOM 1015 NH1 ARG A 67 37.305 1.158 4.560 1.00 0.00 N ATOM 1016 NH2 ARG A 67 35.802 -0.410 3.931 1.00 0.00 N ATOM 0 H ARG A 67 39.031 -3.778 1.453 1.00 0.00 H new ATOM 0 HA ARG A 67 39.561 -1.510 -0.202 1.00 0.00 H new ATOM 0 HB2 ARG A 67 40.868 -2.569 2.376 1.00 0.00 H new ATOM 0 HB3 ARG A 67 40.938 -0.904 1.835 1.00 0.00 H new ATOM 0 HG2 ARG A 67 38.395 -0.825 1.900 1.00 0.00 H new ATOM 0 HG3 ARG A 67 38.393 -2.449 2.559 1.00 0.00 H new ATOM 0 HD2 ARG A 67 39.956 -1.543 4.439 1.00 0.00 H new ATOM 0 HD3 ARG A 67 39.579 0.064 3.851 1.00 0.00 H new ATOM 0 HE ARG A 67 37.663 -1.804 5.191 1.00 0.00 H new ATOM 0 HH11 ARG A 67 38.238 1.405 4.890 1.00 0.00 H new ATOM 0 HH12 ARG A 67 36.613 1.889 4.393 1.00 0.00 H new ATOM 0 HH21 ARG A 67 35.561 -1.388 3.769 1.00 0.00 H new ATOM 0 HH22 ARG A 67 35.110 0.320 3.764 1.00 0.00 H new ATOM 1030 N ASN A 68 42.003 -3.673 -0.103 1.00 0.00 N ATOM 1031 CA ASN A 68 43.305 -3.987 -0.759 1.00 0.00 C ATOM 1032 C ASN A 68 43.326 -5.446 -1.221 1.00 0.00 C ATOM 1033 O ASN A 68 42.499 -5.799 -2.046 1.00 0.00 O ATOM 1034 CB ASN A 68 44.361 -3.750 0.321 1.00 0.00 C ATOM 1035 CG ASN A 68 45.734 -3.598 -0.334 1.00 0.00 C ATOM 1036 OD1 ASN A 68 45.831 -3.296 -1.507 1.00 0.00 O ATOM 1037 ND2 ASN A 68 46.810 -3.796 0.380 1.00 0.00 N ATOM 1038 OXT ASN A 68 44.170 -6.186 -0.741 1.00 0.00 O ATOM 0 H ASN A 68 41.632 -4.408 0.499 1.00 0.00 H new ATOM 0 HA ASN A 68 43.481 -3.373 -1.642 1.00 0.00 H new ATOM 0 HB2 ASN A 68 44.118 -2.854 0.892 1.00 0.00 H new ATOM 0 HB3 ASN A 68 44.372 -4.583 1.024 1.00 0.00 H new ATOM 0 HD21 ASN A 68 47.731 -3.697 -0.047 1.00 0.00 H new ATOM 0 HD22 ASN A 68 46.729 -4.049 1.365 1.00 0.00 H new TER 1045 ASN A 68