USER MOD reduce.3.24.130724 H: found=0, std=0, add=381, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 376 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 34 CYS SG : rot 9:sc= -26.1! USER MOD Set 1.2: A 40 CYS SG : rot 157:sc= -25.5! USER MOD Set 2.1: A 24 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 26 SER OG : rot 92:sc= 1.31 USER MOD Single : A 1 LEU N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 GLN : amide:sc= -1.57 K(o=-1.6,f=-0.16) USER MOD Single : A 4 ASN : amide:sc= -0.395 X(o=-0.39,f=0) USER MOD Single : A 5 THR OG1 : rot -46:sc= 1.07 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 ASN : amide:sc= -0.339 X(o=-0.34,f=-0.35) USER MOD Single : A 23 HIS : no HD1:sc= -1.98 K(o=-2,f=-0.52) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 TYR OH : rot -89:sc= 0.238 USER MOD Single : A 32 LYS NZ :NH3+ 141:sc= -0.48 (180deg=-1.19) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 37 GLN : amide:sc= -2.38! K(o=-2.4!,f=-0.89) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 ASN : amide:sc= -0.568 K(o=-0.57,f=-7.5!) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 1.068 -0.217 -0.123 1.00 34.22 N ATOM 2 CA LEU A 1 1.880 -0.177 -1.334 1.00 23.54 C ATOM 3 C LEU A 1 2.491 -1.545 -1.625 1.00 55.31 C ATOM 4 O LEU A 1 2.759 -2.322 -0.710 1.00 24.13 O ATOM 5 CB LEU A 1 2.988 0.869 -1.194 1.00 74.32 C ATOM 6 CG LEU A 1 3.124 1.860 -2.350 1.00 61.25 C ATOM 7 CD1 LEU A 1 3.577 1.146 -3.615 1.00 0.03 C ATOM 8 CD2 LEU A 1 1.808 2.586 -2.588 1.00 43.33 C ATOM 0 H1 LEU A 1 0.663 0.724 0.055 1.00 34.22 H new ATOM 0 H2 LEU A 1 0.300 -0.908 -0.243 1.00 34.22 H new ATOM 0 H3 LEU A 1 1.662 -0.496 0.684 1.00 34.22 H new ATOM 0 HA LEU A 1 1.233 0.097 -2.167 1.00 23.54 H new ATOM 0 HB2 LEU A 1 2.815 1.432 -0.277 1.00 74.32 H new ATOM 0 HB3 LEU A 1 3.938 0.349 -1.074 1.00 74.32 H new ATOM 0 HG LEU A 1 3.880 2.598 -2.083 1.00 61.25 H new ATOM 0 HD11 LEU A 1 3.668 1.867 -4.427 1.00 0.03 H new ATOM 0 HD12 LEU A 1 4.543 0.673 -3.440 1.00 0.03 H new ATOM 0 HD13 LEU A 1 2.844 0.386 -3.886 1.00 0.03 H new ATOM 0 HD21 LEU A 1 1.924 3.287 -3.414 1.00 43.33 H new ATOM 0 HD22 LEU A 1 1.032 1.861 -2.833 1.00 43.33 H new ATOM 0 HD23 LEU A 1 1.525 3.130 -1.687 1.00 43.33 H new ATOM 20 N GLN A 2 2.708 -1.829 -2.905 1.00 31.30 N ATOM 21 CA GLN A 2 3.288 -3.102 -3.316 1.00 61.31 C ATOM 22 C GLN A 2 4.420 -2.887 -4.316 1.00 34.22 C ATOM 23 O GLN A 2 4.419 -1.915 -5.071 1.00 55.41 O ATOM 24 CB GLN A 2 2.214 -4.002 -3.930 1.00 32.15 C ATOM 25 CG GLN A 2 1.743 -5.108 -2.999 1.00 71.33 C ATOM 26 CD GLN A 2 0.871 -6.130 -3.702 1.00 71.00 C ATOM 27 OE1 GLN A 2 -0.307 -6.286 -3.378 1.00 24.44 O ATOM 28 NE2 GLN A 2 1.446 -6.833 -4.671 1.00 54.53 N ATOM 0 H GLN A 2 2.491 -1.196 -3.675 1.00 31.30 H new ATOM 0 HA GLN A 2 3.697 -3.589 -2.430 1.00 61.31 H new ATOM 0 HB2 GLN A 2 1.359 -3.390 -4.216 1.00 32.15 H new ATOM 0 HB3 GLN A 2 2.605 -4.449 -4.844 1.00 32.15 H new ATOM 0 HG2 GLN A 2 2.610 -5.610 -2.569 1.00 71.33 H new ATOM 0 HG3 GLN A 2 1.186 -4.669 -2.171 1.00 71.33 H new ATOM 0 HE21 GLN A 2 2.425 -6.671 -4.907 1.00 54.53 H new ATOM 0 HE22 GLN A 2 0.908 -7.535 -5.180 1.00 54.53 H new ATOM 37 N CYS A 3 5.385 -3.801 -4.315 1.00 54.31 N ATOM 38 CA CYS A 3 6.523 -3.712 -5.221 1.00 4.50 C ATOM 39 C CYS A 3 6.839 -5.073 -5.834 1.00 55.23 C ATOM 40 O CYS A 3 6.556 -6.113 -5.241 1.00 55.30 O ATOM 41 CB CYS A 3 7.751 -3.177 -4.480 1.00 33.42 C ATOM 42 SG CYS A 3 7.408 -1.740 -3.414 1.00 65.11 S ATOM 0 H CYS A 3 5.401 -4.612 -3.696 1.00 54.31 H new ATOM 0 HA CYS A 3 6.262 -3.023 -6.024 1.00 4.50 H new ATOM 0 HB2 CYS A 3 8.171 -3.977 -3.870 1.00 33.42 H new ATOM 0 HB3 CYS A 3 8.511 -2.901 -5.211 1.00 33.42 H new ATOM 47 N ASN A 4 7.427 -5.057 -7.026 1.00 54.21 N ATOM 48 CA ASN A 4 7.780 -6.290 -7.720 1.00 42.45 C ATOM 49 C ASN A 4 9.060 -6.890 -7.146 1.00 50.40 C ATOM 50 O ASN A 4 9.837 -6.204 -6.481 1.00 11.24 O ATOM 51 CB ASN A 4 7.955 -6.024 -9.217 1.00 61.31 C ATOM 52 CG ASN A 4 6.655 -5.628 -9.890 1.00 1.52 C ATOM 53 OD1 ASN A 4 6.040 -6.426 -10.597 1.00 44.11 O ATOM 54 ND2 ASN A 4 6.231 -4.388 -9.672 1.00 35.33 N ATOM 0 H ASN A 4 7.669 -4.204 -7.531 1.00 54.21 H new ATOM 0 HA ASN A 4 6.969 -7.004 -7.576 1.00 42.45 H new ATOM 0 HB2 ASN A 4 8.690 -5.232 -9.359 1.00 61.31 H new ATOM 0 HB3 ASN A 4 8.352 -6.918 -9.698 1.00 61.31 H new ATOM 0 HD21 ASN A 4 5.363 -4.064 -10.098 1.00 35.33 H new ATOM 0 HD22 ASN A 4 6.773 -3.760 -9.078 1.00 35.33 H new ATOM 61 N THR A 5 9.274 -8.175 -7.408 1.00 60.32 N ATOM 62 CA THR A 5 10.458 -8.868 -6.918 1.00 24.44 C ATOM 63 C THR A 5 11.246 -9.491 -8.065 1.00 34.32 C ATOM 64 O THR A 5 10.695 -9.766 -9.132 1.00 2.00 O ATOM 65 CB THR A 5 10.086 -9.970 -5.907 1.00 65.35 C ATOM 66 OG1 THR A 5 9.458 -11.064 -6.585 1.00 61.10 O ATOM 67 CG2 THR A 5 9.154 -9.428 -4.835 1.00 32.52 C ATOM 0 H THR A 5 8.642 -8.757 -7.957 1.00 60.32 H new ATOM 0 HA THR A 5 11.077 -8.122 -6.420 1.00 24.44 H new ATOM 0 HB THR A 5 11.001 -10.318 -5.428 1.00 65.35 H new ATOM 0 HG1 THR A 5 8.783 -10.720 -7.206 1.00 61.10 H new ATOM 0 HG21 THR A 5 8.905 -10.224 -4.133 1.00 32.52 H new ATOM 0 HG22 THR A 5 9.646 -8.615 -4.302 1.00 32.52 H new ATOM 0 HG23 THR A 5 8.241 -9.056 -5.301 1.00 32.52 H new ATOM 75 N LEU A 6 12.536 -9.713 -7.839 1.00 12.10 N ATOM 76 CA LEU A 6 13.400 -10.305 -8.855 1.00 33.05 C ATOM 77 C LEU A 6 12.997 -11.749 -9.137 1.00 40.24 C ATOM 78 O LEU A 6 13.291 -12.288 -10.204 1.00 61.13 O ATOM 79 CB LEU A 6 14.861 -10.250 -8.405 1.00 13.23 C ATOM 80 CG LEU A 6 15.302 -11.336 -7.423 1.00 3.30 C ATOM 81 CD1 LEU A 6 15.844 -12.543 -8.171 1.00 65.54 C ATOM 82 CD2 LEU A 6 16.346 -10.791 -6.459 1.00 11.31 C ATOM 0 H LEU A 6 13.007 -9.492 -6.962 1.00 12.10 H new ATOM 0 HA LEU A 6 13.287 -9.729 -9.774 1.00 33.05 H new ATOM 0 HB2 LEU A 6 15.495 -10.309 -9.290 1.00 13.23 H new ATOM 0 HB3 LEU A 6 15.043 -9.278 -7.946 1.00 13.23 H new ATOM 0 HG LEU A 6 14.433 -11.652 -6.846 1.00 3.30 H new ATOM 0 HD11 LEU A 6 16.153 -13.306 -7.456 1.00 65.54 H new ATOM 0 HD12 LEU A 6 15.067 -12.948 -8.820 1.00 65.54 H new ATOM 0 HD13 LEU A 6 16.701 -12.243 -8.774 1.00 65.54 H new ATOM 0 HD21 LEU A 6 16.648 -11.577 -5.767 1.00 11.31 H new ATOM 0 HD22 LEU A 6 17.215 -10.447 -7.020 1.00 11.31 H new ATOM 0 HD23 LEU A 6 15.923 -9.957 -5.898 1.00 11.31 H new ATOM 94 N ASP A 7 12.321 -12.368 -8.176 1.00 22.21 N ATOM 95 CA ASP A 7 11.875 -13.749 -8.323 1.00 12.34 C ATOM 96 C ASP A 7 10.648 -13.830 -9.226 1.00 64.11 C ATOM 97 O ASP A 7 10.175 -14.918 -9.551 1.00 22.20 O ATOM 98 CB ASP A 7 11.556 -14.352 -6.954 1.00 23.31 C ATOM 99 CG ASP A 7 11.331 -15.850 -7.020 1.00 25.12 C ATOM 100 OD1 ASP A 7 12.330 -16.598 -7.084 1.00 32.01 O ATOM 101 OD2 ASP A 7 10.157 -16.275 -7.006 1.00 43.44 O ATOM 0 H ASP A 7 12.070 -11.936 -7.287 1.00 22.21 H new ATOM 0 HA ASP A 7 12.682 -14.319 -8.784 1.00 12.34 H new ATOM 0 HB2 ASP A 7 12.375 -14.140 -6.267 1.00 23.31 H new ATOM 0 HB3 ASP A 7 10.666 -13.871 -6.547 1.00 23.31 H new ATOM 106 N GLY A 8 10.137 -12.670 -9.628 1.00 64.21 N ATOM 107 CA GLY A 8 8.970 -12.632 -10.489 1.00 72.51 C ATOM 108 C GLY A 8 7.678 -12.490 -9.709 1.00 22.55 C ATOM 109 O GLY A 8 6.611 -12.297 -10.290 1.00 4.41 O ATOM 0 H GLY A 8 10.511 -11.756 -9.372 1.00 64.21 H new ATOM 0 HA2 GLY A 8 9.063 -11.799 -11.186 1.00 72.51 H new ATOM 0 HA3 GLY A 8 8.932 -13.544 -11.085 1.00 72.51 H new ATOM 113 N GLY A 9 7.774 -12.589 -8.386 1.00 14.11 N ATOM 114 CA GLY A 9 6.596 -12.469 -7.546 1.00 60.53 C ATOM 115 C GLY A 9 6.369 -11.050 -7.064 1.00 62.42 C ATOM 116 O GLY A 9 7.150 -10.149 -7.372 1.00 20.11 O ATOM 0 H GLY A 9 8.646 -12.750 -7.881 1.00 14.11 H new ATOM 0 HA2 GLY A 9 5.721 -12.805 -8.103 1.00 60.53 H new ATOM 0 HA3 GLY A 9 6.699 -13.130 -6.685 1.00 60.53 H new ATOM 120 N THR A 10 5.295 -10.849 -6.307 1.00 4.25 N ATOM 121 CA THR A 10 4.966 -9.529 -5.783 1.00 60.04 C ATOM 122 C THR A 10 5.189 -9.464 -4.277 1.00 15.53 C ATOM 123 O THR A 10 4.966 -10.442 -3.565 1.00 20.13 O ATOM 124 CB THR A 10 3.505 -9.151 -6.092 1.00 30.10 C ATOM 125 OG1 THR A 10 2.663 -10.301 -5.957 1.00 75.14 O ATOM 126 CG2 THR A 10 3.378 -8.585 -7.498 1.00 50.12 C ATOM 0 H THR A 10 4.638 -11.583 -6.043 1.00 4.25 H new ATOM 0 HA THR A 10 5.629 -8.818 -6.276 1.00 60.04 H new ATOM 0 HB THR A 10 3.192 -8.387 -5.381 1.00 30.10 H new ATOM 0 HG1 THR A 10 1.736 -10.052 -6.153 1.00 75.14 H new ATOM 0 HG21 THR A 10 2.337 -8.325 -7.693 1.00 50.12 H new ATOM 0 HG22 THR A 10 3.998 -7.693 -7.588 1.00 50.12 H new ATOM 0 HG23 THR A 10 3.708 -9.331 -8.222 1.00 50.12 H new ATOM 134 N GLU A 11 5.628 -8.304 -3.798 1.00 2.11 N ATOM 135 CA GLU A 11 5.881 -8.112 -2.375 1.00 35.45 C ATOM 136 C GLU A 11 5.137 -6.887 -1.850 1.00 70.42 C ATOM 137 O GLU A 11 4.957 -5.904 -2.568 1.00 5.03 O ATOM 138 CB GLU A 11 7.381 -7.961 -2.116 1.00 20.32 C ATOM 139 CG GLU A 11 7.993 -6.740 -2.781 1.00 65.31 C ATOM 140 CD GLU A 11 9.313 -6.334 -2.154 1.00 30.33 C ATOM 141 OE1 GLU A 11 9.852 -7.120 -1.346 1.00 72.22 O ATOM 142 OE2 GLU A 11 9.806 -5.232 -2.470 1.00 4.35 O ATOM 0 H GLU A 11 5.816 -7.484 -4.374 1.00 2.11 H new ATOM 0 HA GLU A 11 5.515 -8.992 -1.846 1.00 35.45 H new ATOM 0 HB2 GLU A 11 7.552 -7.903 -1.041 1.00 20.32 H new ATOM 0 HB3 GLU A 11 7.894 -8.854 -2.472 1.00 20.32 H new ATOM 0 HG2 GLU A 11 8.146 -6.946 -3.840 1.00 65.31 H new ATOM 0 HG3 GLU A 11 7.293 -5.907 -2.717 1.00 65.31 H new ATOM 149 N GLU A 12 4.707 -6.956 -0.594 1.00 73.22 N ATOM 150 CA GLU A 12 3.981 -5.853 0.026 1.00 64.54 C ATOM 151 C GLU A 12 4.945 -4.866 0.676 1.00 5.35 C ATOM 152 O GLU A 12 5.625 -5.194 1.650 1.00 41.54 O ATOM 153 CB GLU A 12 2.996 -6.384 1.069 1.00 22.31 C ATOM 154 CG GLU A 12 3.640 -7.282 2.113 1.00 52.05 C ATOM 155 CD GLU A 12 3.041 -8.675 2.133 1.00 14.23 C ATOM 156 OE1 GLU A 12 2.023 -8.872 2.831 1.00 44.03 O ATOM 157 OE2 GLU A 12 3.588 -9.567 1.453 1.00 24.21 O ATOM 0 H GLU A 12 4.848 -7.763 0.014 1.00 73.22 H new ATOM 0 HA GLU A 12 3.426 -5.332 -0.754 1.00 64.54 H new ATOM 0 HB2 GLU A 12 2.521 -5.541 1.570 1.00 22.31 H new ATOM 0 HB3 GLU A 12 2.207 -6.939 0.562 1.00 22.31 H new ATOM 0 HG2 GLU A 12 4.710 -7.353 1.916 1.00 52.05 H new ATOM 0 HG3 GLU A 12 3.527 -6.828 3.097 1.00 52.05 H new ATOM 164 N CYS A 13 5.000 -3.655 0.132 1.00 53.11 N ATOM 165 CA CYS A 13 5.880 -2.618 0.657 1.00 62.40 C ATOM 166 C CYS A 13 5.150 -1.751 1.678 1.00 4.33 C ATOM 167 O CYS A 13 4.235 -1.004 1.332 1.00 51.42 O ATOM 168 CB CYS A 13 6.412 -1.746 -0.482 1.00 60.41 C ATOM 169 SG CYS A 13 7.707 -2.543 -1.486 1.00 2.44 S ATOM 0 H CYS A 13 4.444 -3.367 -0.674 1.00 53.11 H new ATOM 0 HA CYS A 13 6.719 -3.106 1.154 1.00 62.40 H new ATOM 0 HB2 CYS A 13 5.582 -1.470 -1.132 1.00 60.41 H new ATOM 0 HB3 CYS A 13 6.810 -0.822 -0.063 1.00 60.41 H new ATOM 174 N ILE A 14 5.562 -1.855 2.937 1.00 24.32 N ATOM 175 CA ILE A 14 4.949 -1.080 4.008 1.00 2.31 C ATOM 176 C ILE A 14 5.377 0.382 3.943 1.00 45.44 C ATOM 177 O ILE A 14 6.513 0.707 3.596 1.00 3.41 O ATOM 178 CB ILE A 14 5.311 -1.648 5.393 1.00 4.51 C ATOM 179 CG1 ILE A 14 6.828 -1.628 5.596 1.00 71.55 C ATOM 180 CG2 ILE A 14 4.769 -3.061 5.544 1.00 1.14 C ATOM 181 CD1 ILE A 14 7.336 -0.357 6.238 1.00 12.14 C ATOM 0 H ILE A 14 6.318 -2.469 3.240 1.00 24.32 H new ATOM 0 HA ILE A 14 3.870 -1.147 3.868 1.00 2.31 H new ATOM 0 HB ILE A 14 4.853 -1.021 6.158 1.00 4.51 H new ATOM 0 HG12 ILE A 14 7.114 -2.478 6.216 1.00 71.55 H new ATOM 0 HG13 ILE A 14 7.317 -1.758 4.631 1.00 71.55 H new ATOM 0 HG21 ILE A 14 5.033 -3.449 6.528 1.00 1.14 H new ATOM 0 HG22 ILE A 14 3.684 -3.048 5.438 1.00 1.14 H new ATOM 0 HG23 ILE A 14 5.201 -3.701 4.774 1.00 1.14 H new ATOM 0 HD11 ILE A 14 8.419 -0.414 6.351 1.00 12.14 H new ATOM 0 HD12 ILE A 14 7.081 0.496 5.609 1.00 12.14 H new ATOM 0 HD13 ILE A 14 6.875 -0.235 7.218 1.00 12.14 H new ATOM 193 N PRO A 15 4.448 1.287 4.285 1.00 3.01 N ATOM 194 CA PRO A 15 4.707 2.730 4.276 1.00 70.13 C ATOM 195 C PRO A 15 5.668 3.154 5.381 1.00 31.21 C ATOM 196 O PRO A 15 5.306 3.178 6.557 1.00 74.25 O ATOM 197 CB PRO A 15 3.322 3.340 4.508 1.00 64.03 C ATOM 198 CG PRO A 15 2.559 2.284 5.230 1.00 4.04 C ATOM 199 CD PRO A 15 3.074 0.971 4.708 1.00 32.04 C ATOM 0 HA PRO A 15 5.181 3.053 3.349 1.00 70.13 H new ATOM 0 HB2 PRO A 15 3.386 4.255 5.097 1.00 64.03 H new ATOM 0 HB3 PRO A 15 2.841 3.601 3.565 1.00 64.03 H new ATOM 0 HG2 PRO A 15 2.709 2.362 6.307 1.00 4.04 H new ATOM 0 HG3 PRO A 15 1.489 2.383 5.049 1.00 4.04 H new ATOM 0 HD2 PRO A 15 3.058 0.199 5.477 1.00 32.04 H new ATOM 0 HD3 PRO A 15 2.472 0.605 3.876 1.00 32.04 H new ATOM 207 N GLY A 16 6.896 3.488 4.996 1.00 52.32 N ATOM 208 CA GLY A 16 7.890 3.907 5.967 1.00 53.23 C ATOM 209 C GLY A 16 9.307 3.690 5.476 1.00 63.30 C ATOM 210 O GLY A 16 9.833 4.490 4.702 1.00 53.24 O ATOM 0 H GLY A 16 7.220 3.476 4.029 1.00 52.32 H new ATOM 0 HA2 GLY A 16 7.746 4.963 6.197 1.00 53.23 H new ATOM 0 HA3 GLY A 16 7.742 3.355 6.895 1.00 53.23 H new ATOM 214 N ILE A 17 9.928 2.606 5.928 1.00 24.41 N ATOM 215 CA ILE A 17 11.294 2.286 5.530 1.00 12.43 C ATOM 216 C ILE A 17 11.394 2.086 4.022 1.00 44.11 C ATOM 217 O ILE A 17 12.481 2.154 3.447 1.00 22.03 O ATOM 218 CB ILE A 17 11.805 1.019 6.240 1.00 23.03 C ATOM 219 CG1 ILE A 17 10.833 -0.142 6.022 1.00 51.10 C ATOM 220 CG2 ILE A 17 11.996 1.285 7.726 1.00 23.21 C ATOM 221 CD1 ILE A 17 11.289 -1.439 6.653 1.00 13.22 C ATOM 0 H ILE A 17 9.507 1.934 6.570 1.00 24.41 H new ATOM 0 HA ILE A 17 11.915 3.132 5.824 1.00 12.43 H new ATOM 0 HB ILE A 17 12.770 0.745 5.813 1.00 23.03 H new ATOM 0 HG12 ILE A 17 9.859 0.129 6.430 1.00 51.10 H new ATOM 0 HG13 ILE A 17 10.698 -0.296 4.951 1.00 51.10 H new ATOM 0 HG21 ILE A 17 12.358 0.380 8.214 1.00 23.21 H new ATOM 0 HG22 ILE A 17 12.723 2.086 7.862 1.00 23.21 H new ATOM 0 HG23 ILE A 17 11.044 1.580 8.168 1.00 23.21 H new ATOM 0 HD11 ILE A 17 10.551 -2.217 6.458 1.00 13.22 H new ATOM 0 HD12 ILE A 17 12.248 -1.733 6.227 1.00 13.22 H new ATOM 0 HD13 ILE A 17 11.396 -1.302 7.729 1.00 13.22 H new ATOM 233 N TYR A 18 10.254 1.841 3.386 1.00 22.11 N ATOM 234 CA TYR A 18 10.213 1.630 1.944 1.00 44.21 C ATOM 235 C TYR A 18 9.198 2.560 1.286 1.00 24.01 C ATOM 236 O TYR A 18 7.996 2.299 1.307 1.00 3.23 O ATOM 237 CB TYR A 18 9.866 0.174 1.630 1.00 63.03 C ATOM 238 CG TYR A 18 10.689 -0.826 2.410 1.00 35.44 C ATOM 239 CD1 TYR A 18 12.051 -0.637 2.602 1.00 3.54 C ATOM 240 CD2 TYR A 18 10.102 -1.961 2.957 1.00 71.42 C ATOM 241 CE1 TYR A 18 12.806 -1.548 3.314 1.00 23.42 C ATOM 242 CE2 TYR A 18 10.849 -2.878 3.671 1.00 12.14 C ATOM 243 CZ TYR A 18 12.201 -2.667 3.847 1.00 74.31 C ATOM 244 OH TYR A 18 12.949 -3.577 4.558 1.00 71.31 O ATOM 0 H TYR A 18 9.346 1.784 3.846 1.00 22.11 H new ATOM 0 HA TYR A 18 11.200 1.856 1.541 1.00 44.21 H new ATOM 0 HB2 TYR A 18 8.810 0.007 1.842 1.00 63.03 H new ATOM 0 HB3 TYR A 18 10.009 -0.003 0.564 1.00 63.03 H new ATOM 0 HD1 TYR A 18 12.529 0.238 2.187 1.00 3.54 H new ATOM 0 HD2 TYR A 18 9.044 -2.129 2.822 1.00 71.42 H new ATOM 0 HE1 TYR A 18 13.865 -1.385 3.453 1.00 23.42 H new ATOM 0 HE2 TYR A 18 10.377 -3.755 4.089 1.00 12.14 H new ATOM 0 HH TYR A 18 12.371 -4.306 4.866 1.00 71.31 H new ATOM 254 N ASN A 19 9.693 3.646 0.701 1.00 11.23 N ATOM 255 CA ASN A 19 8.830 4.616 0.036 1.00 3.23 C ATOM 256 C ASN A 19 9.193 4.745 -1.440 1.00 23.01 C ATOM 257 O ASN A 19 8.464 5.360 -2.218 1.00 63.23 O ATOM 258 CB ASN A 19 8.939 5.980 0.721 1.00 42.23 C ATOM 259 CG ASN A 19 10.145 6.769 0.249 1.00 40.45 C ATOM 260 OD1 ASN A 19 10.018 7.703 -0.543 1.00 42.43 O ATOM 261 ND2 ASN A 19 11.323 6.396 0.734 1.00 63.12 N ATOM 0 H ASN A 19 10.686 3.876 0.674 1.00 11.23 H new ATOM 0 HA ASN A 19 7.802 4.261 0.109 1.00 3.23 H new ATOM 0 HB2 ASN A 19 8.033 6.555 0.526 1.00 42.23 H new ATOM 0 HB3 ASN A 19 9.001 5.838 1.800 1.00 42.23 H new ATOM 0 HD21 ASN A 19 12.170 6.890 0.452 1.00 63.12 H new ATOM 0 HD22 ASN A 19 11.381 5.616 1.388 1.00 63.12 H new ATOM 268 N VAL A 20 10.325 4.160 -1.819 1.00 23.04 N ATOM 269 CA VAL A 20 10.785 4.207 -3.201 1.00 50.34 C ATOM 270 C VAL A 20 10.809 2.814 -3.820 1.00 42.45 C ATOM 271 O VAL A 20 10.669 1.810 -3.122 1.00 75.01 O ATOM 272 CB VAL A 20 12.191 4.827 -3.305 1.00 1.55 C ATOM 273 CG1 VAL A 20 12.165 6.286 -2.872 1.00 72.50 C ATOM 274 CG2 VAL A 20 13.186 4.033 -2.471 1.00 54.42 C ATOM 0 H VAL A 20 10.940 3.648 -1.187 1.00 23.04 H new ATOM 0 HA VAL A 20 10.079 4.833 -3.748 1.00 50.34 H new ATOM 0 HB VAL A 20 12.511 4.787 -4.346 1.00 1.55 H new ATOM 0 HG11 VAL A 20 13.167 6.707 -2.952 1.00 72.50 H new ATOM 0 HG12 VAL A 20 11.484 6.844 -3.515 1.00 72.50 H new ATOM 0 HG13 VAL A 20 11.825 6.353 -1.839 1.00 72.50 H new ATOM 0 HG21 VAL A 20 14.174 4.485 -2.556 1.00 54.42 H new ATOM 0 HG22 VAL A 20 12.873 4.039 -1.427 1.00 54.42 H new ATOM 0 HG23 VAL A 20 13.225 3.005 -2.832 1.00 54.42 H new ATOM 284 N CYS A 21 10.989 2.761 -5.136 1.00 20.40 N ATOM 285 CA CYS A 21 11.032 1.491 -5.851 1.00 41.02 C ATOM 286 C CYS A 21 11.883 1.606 -7.113 1.00 32.02 C ATOM 287 O CYS A 21 11.886 2.640 -7.781 1.00 13.13 O ATOM 288 CB CYS A 21 9.617 1.039 -6.217 1.00 13.34 C ATOM 289 SG CYS A 21 8.581 2.352 -6.940 1.00 31.31 S ATOM 0 H CYS A 21 11.107 3.583 -5.728 1.00 20.40 H new ATOM 0 HA CYS A 21 11.485 0.748 -5.194 1.00 41.02 H new ATOM 0 HB2 CYS A 21 9.683 0.212 -6.924 1.00 13.34 H new ATOM 0 HB3 CYS A 21 9.127 0.655 -5.322 1.00 13.34 H new ATOM 294 N VAL A 22 12.604 0.536 -7.433 1.00 52.13 N ATOM 295 CA VAL A 22 13.458 0.516 -8.615 1.00 34.40 C ATOM 296 C VAL A 22 13.292 -0.787 -9.390 1.00 4.03 C ATOM 297 O VAL A 22 13.202 -1.865 -8.801 1.00 44.01 O ATOM 298 CB VAL A 22 14.941 0.692 -8.239 1.00 33.11 C ATOM 299 CG1 VAL A 22 15.838 0.092 -9.310 1.00 64.13 C ATOM 300 CG2 VAL A 22 15.264 2.163 -8.023 1.00 60.40 C ATOM 0 H VAL A 22 12.614 -0.328 -6.891 1.00 52.13 H new ATOM 0 HA VAL A 22 13.149 1.351 -9.243 1.00 34.40 H new ATOM 0 HB VAL A 22 15.127 0.162 -7.305 1.00 33.11 H new ATOM 0 HG11 VAL A 22 16.882 0.226 -9.027 1.00 64.13 H new ATOM 0 HG12 VAL A 22 15.623 -0.972 -9.411 1.00 64.13 H new ATOM 0 HG13 VAL A 22 15.653 0.591 -10.261 1.00 64.13 H new ATOM 0 HG21 VAL A 22 16.316 2.269 -7.758 1.00 60.40 H new ATOM 0 HG22 VAL A 22 15.063 2.718 -8.939 1.00 60.40 H new ATOM 0 HG23 VAL A 22 14.645 2.557 -7.217 1.00 60.40 H new ATOM 310 N HIS A 23 13.254 -0.681 -10.714 1.00 53.42 N ATOM 311 CA HIS A 23 13.100 -1.851 -11.571 1.00 25.00 C ATOM 312 C HIS A 23 14.254 -1.952 -12.564 1.00 62.03 C ATOM 313 O HIS A 23 14.381 -1.127 -13.469 1.00 44.31 O ATOM 314 CB HIS A 23 11.770 -1.789 -12.322 1.00 31.14 C ATOM 315 CG HIS A 23 11.580 -2.909 -13.298 1.00 44.31 C ATOM 316 ND1 HIS A 23 10.653 -2.869 -14.318 1.00 21.00 N ATOM 317 CD2 HIS A 23 12.207 -4.104 -13.408 1.00 11.44 C ATOM 318 CE1 HIS A 23 10.716 -3.992 -15.011 1.00 42.34 C ATOM 319 NE2 HIS A 23 11.652 -4.758 -14.480 1.00 14.23 N ATOM 0 H HIS A 23 13.328 0.203 -11.217 1.00 53.42 H new ATOM 0 HA HIS A 23 13.109 -2.738 -10.938 1.00 25.00 H new ATOM 0 HB2 HIS A 23 10.954 -1.805 -11.600 1.00 31.14 H new ATOM 0 HB3 HIS A 23 11.707 -0.840 -12.854 1.00 31.14 H new ATOM 0 HD2 HIS A 23 12.997 -4.474 -12.771 1.00 11.44 H new ATOM 0 HE1 HIS A 23 10.106 -4.241 -15.866 1.00 42.34 H new ATOM 0 HE2 HIS A 23 11.919 -5.685 -14.812 1.00 14.23 H new ATOM 327 N TYR A 24 15.092 -2.967 -12.389 1.00 22.53 N ATOM 328 CA TYR A 24 16.237 -3.174 -13.267 1.00 62.35 C ATOM 329 C TYR A 24 15.962 -4.293 -14.267 1.00 75.13 C ATOM 330 O TYR A 24 15.788 -5.452 -13.889 1.00 45.10 O ATOM 331 CB TYR A 24 17.484 -3.505 -12.446 1.00 22.32 C ATOM 332 CG TYR A 24 18.759 -3.518 -13.259 1.00 21.45 C ATOM 333 CD1 TYR A 24 19.028 -4.551 -14.149 1.00 55.31 C ATOM 334 CD2 TYR A 24 19.695 -2.499 -13.135 1.00 65.54 C ATOM 335 CE1 TYR A 24 20.191 -4.567 -14.893 1.00 63.44 C ATOM 336 CE2 TYR A 24 20.861 -2.507 -13.877 1.00 21.23 C ATOM 337 CZ TYR A 24 21.105 -3.543 -14.754 1.00 74.30 C ATOM 338 OH TYR A 24 22.265 -3.555 -15.493 1.00 63.32 O ATOM 0 H TYR A 24 15.000 -3.660 -11.646 1.00 22.53 H new ATOM 0 HA TYR A 24 16.409 -2.251 -13.820 1.00 62.35 H new ATOM 0 HB2 TYR A 24 17.583 -2.776 -11.642 1.00 22.32 H new ATOM 0 HB3 TYR A 24 17.352 -4.480 -11.977 1.00 22.32 H new ATOM 0 HD1 TYR A 24 18.315 -5.355 -14.261 1.00 55.31 H new ATOM 0 HD2 TYR A 24 19.508 -1.687 -12.448 1.00 65.54 H new ATOM 0 HE1 TYR A 24 20.384 -5.377 -15.580 1.00 63.44 H new ATOM 0 HE2 TYR A 24 21.577 -1.706 -13.771 1.00 21.23 H new ATOM 0 HH TYR A 24 22.799 -2.762 -15.277 1.00 63.32 H new ATOM 348 N LYS A 25 15.923 -3.938 -15.547 1.00 14.40 N ATOM 349 CA LYS A 25 15.670 -4.909 -16.604 1.00 62.52 C ATOM 350 C LYS A 25 16.754 -4.842 -17.675 1.00 62.13 C ATOM 351 O LYS A 25 16.898 -3.832 -18.364 1.00 12.12 O ATOM 352 CB LYS A 25 14.298 -4.662 -17.236 1.00 24.23 C ATOM 353 CG LYS A 25 14.001 -5.568 -18.418 1.00 33.10 C ATOM 354 CD LYS A 25 12.731 -5.146 -19.138 1.00 61.02 C ATOM 355 CE LYS A 25 11.501 -5.799 -18.528 1.00 14.04 C ATOM 356 NZ LYS A 25 10.285 -5.579 -19.360 1.00 65.30 N ATOM 0 H LYS A 25 16.064 -2.983 -15.877 1.00 14.40 H new ATOM 0 HA LYS A 25 15.684 -5.904 -16.159 1.00 62.52 H new ATOM 0 HB2 LYS A 25 13.527 -4.803 -16.478 1.00 24.23 H new ATOM 0 HB3 LYS A 25 14.239 -3.623 -17.561 1.00 24.23 H new ATOM 0 HG2 LYS A 25 14.839 -5.546 -19.114 1.00 33.10 H new ATOM 0 HG3 LYS A 25 13.900 -6.597 -18.073 1.00 33.10 H new ATOM 0 HD2 LYS A 25 12.629 -4.062 -19.092 1.00 61.02 H new ATOM 0 HD3 LYS A 25 12.802 -5.415 -20.192 1.00 61.02 H new ATOM 0 HE2 LYS A 25 11.676 -6.869 -18.416 1.00 14.04 H new ATOM 0 HE3 LYS A 25 11.335 -5.397 -17.529 1.00 14.04 H new ATOM 0 HZ1 LYS A 25 9.468 -6.040 -18.910 1.00 65.30 H new ATOM 0 HZ2 LYS A 25 10.103 -4.559 -19.446 1.00 65.30 H new ATOM 0 HZ3 LYS A 25 10.433 -5.985 -20.306 1.00 65.30 H new ATOM 370 N SER A 26 17.514 -5.925 -17.811 1.00 53.52 N ATOM 371 CA SER A 26 18.586 -5.987 -18.797 1.00 41.12 C ATOM 372 C SER A 26 18.534 -7.299 -19.574 1.00 51.23 C ATOM 373 O SER A 26 17.926 -8.272 -19.129 1.00 52.45 O ATOM 374 CB SER A 26 19.946 -5.840 -18.112 1.00 63.44 C ATOM 375 OG SER A 26 20.209 -4.487 -17.784 1.00 61.15 O ATOM 0 H SER A 26 17.407 -6.771 -17.251 1.00 53.52 H new ATOM 0 HA SER A 26 18.450 -5.164 -19.499 1.00 41.12 H new ATOM 0 HB2 SER A 26 19.968 -6.448 -17.207 1.00 63.44 H new ATOM 0 HB3 SER A 26 20.730 -6.217 -18.769 1.00 63.44 H new ATOM 0 HG SER A 26 19.890 -4.303 -16.876 1.00 61.15 H new ATOM 381 N GLU A 27 19.176 -7.316 -20.738 1.00 64.00 N ATOM 382 CA GLU A 27 19.203 -8.508 -21.578 1.00 14.21 C ATOM 383 C GLU A 27 20.153 -9.556 -21.006 1.00 42.40 C ATOM 384 O GLU A 27 20.125 -10.719 -21.407 1.00 31.43 O ATOM 385 CB GLU A 27 19.624 -8.145 -23.003 1.00 73.05 C ATOM 386 CG GLU A 27 21.024 -7.563 -23.095 1.00 24.50 C ATOM 387 CD GLU A 27 21.032 -6.048 -23.032 1.00 64.53 C ATOM 388 OE1 GLU A 27 20.323 -5.417 -23.843 1.00 11.23 O ATOM 389 OE2 GLU A 27 21.749 -5.495 -22.172 1.00 15.31 O ATOM 0 H GLU A 27 19.684 -6.519 -21.121 1.00 64.00 H new ATOM 0 HA GLU A 27 18.198 -8.928 -21.600 1.00 14.21 H new ATOM 0 HB2 GLU A 27 19.569 -9.037 -23.627 1.00 73.05 H new ATOM 0 HB3 GLU A 27 18.913 -7.426 -23.411 1.00 73.05 H new ATOM 0 HG2 GLU A 27 21.632 -7.960 -22.282 1.00 24.50 H new ATOM 0 HG3 GLU A 27 21.487 -7.886 -24.027 1.00 24.50 H new ATOM 396 N ASP A 28 20.994 -9.134 -20.068 1.00 41.32 N ATOM 397 CA ASP A 28 21.954 -10.035 -19.440 1.00 54.42 C ATOM 398 C ASP A 28 21.485 -10.442 -18.047 1.00 10.13 C ATOM 399 O ASP A 28 21.863 -11.497 -17.539 1.00 32.11 O ATOM 400 CB ASP A 28 23.329 -9.371 -19.355 1.00 51.35 C ATOM 401 CG ASP A 28 24.460 -10.348 -19.607 1.00 61.22 C ATOM 402 OD1 ASP A 28 24.670 -10.723 -20.780 1.00 1.43 O ATOM 403 OD2 ASP A 28 25.135 -10.739 -18.632 1.00 32.44 O ATOM 0 H ASP A 28 21.031 -8.174 -19.726 1.00 41.32 H new ATOM 0 HA ASP A 28 22.030 -10.932 -20.055 1.00 54.42 H new ATOM 0 HB2 ASP A 28 23.384 -8.561 -20.082 1.00 51.35 H new ATOM 0 HB3 ASP A 28 23.453 -8.923 -18.369 1.00 51.35 H new ATOM 408 N GLU A 29 20.661 -9.597 -17.434 1.00 61.24 N ATOM 409 CA GLU A 29 20.143 -9.869 -16.099 1.00 21.52 C ATOM 410 C GLU A 29 18.887 -9.048 -15.825 1.00 34.14 C ATOM 411 O GLU A 29 18.581 -8.103 -16.550 1.00 53.35 O ATOM 412 CB GLU A 29 21.207 -9.562 -15.043 1.00 31.53 C ATOM 413 CG GLU A 29 21.463 -8.077 -14.850 1.00 71.25 C ATOM 414 CD GLU A 29 22.726 -7.801 -14.058 1.00 40.44 C ATOM 415 OE1 GLU A 29 22.740 -8.092 -12.844 1.00 15.31 O ATOM 416 OE2 GLU A 29 23.700 -7.293 -14.652 1.00 62.21 O ATOM 0 H GLU A 29 20.338 -8.719 -17.841 1.00 61.24 H new ATOM 0 HA GLU A 29 19.883 -10.926 -16.046 1.00 21.52 H new ATOM 0 HB2 GLU A 29 20.898 -9.995 -14.092 1.00 31.53 H new ATOM 0 HB3 GLU A 29 22.140 -10.049 -15.327 1.00 31.53 H new ATOM 0 HG2 GLU A 29 21.537 -7.595 -15.825 1.00 71.25 H new ATOM 0 HG3 GLU A 29 20.612 -7.629 -14.337 1.00 71.25 H new ATOM 423 N GLU A 30 18.163 -9.417 -14.772 1.00 62.42 N ATOM 424 CA GLU A 30 16.939 -8.716 -14.403 1.00 43.33 C ATOM 425 C GLU A 30 16.621 -8.918 -12.925 1.00 11.14 C ATOM 426 O GLU A 30 16.509 -10.049 -12.452 1.00 31.14 O ATOM 427 CB GLU A 30 15.768 -9.202 -15.260 1.00 22.15 C ATOM 428 CG GLU A 30 14.420 -8.665 -14.809 1.00 3.11 C ATOM 429 CD GLU A 30 13.276 -9.166 -15.668 1.00 34.43 C ATOM 430 OE1 GLU A 30 13.063 -8.601 -16.761 1.00 22.00 O ATOM 431 OE2 GLU A 30 12.593 -10.123 -15.247 1.00 75.21 O ATOM 0 H GLU A 30 18.403 -10.197 -14.160 1.00 62.42 H new ATOM 0 HA GLU A 30 17.092 -7.652 -14.581 1.00 43.33 H new ATOM 0 HB2 GLU A 30 15.939 -8.907 -16.295 1.00 22.15 H new ATOM 0 HB3 GLU A 30 15.741 -10.291 -15.239 1.00 22.15 H new ATOM 0 HG2 GLU A 30 14.246 -8.955 -13.773 1.00 3.11 H new ATOM 0 HG3 GLU A 30 14.440 -7.576 -14.836 1.00 3.11 H new ATOM 438 N TYR A 31 16.477 -7.814 -12.200 1.00 41.33 N ATOM 439 CA TYR A 31 16.175 -7.869 -10.775 1.00 12.40 C ATOM 440 C TYR A 31 15.508 -6.578 -10.309 1.00 40.24 C ATOM 441 O TYR A 31 15.567 -5.553 -10.990 1.00 21.51 O ATOM 442 CB TYR A 31 17.452 -8.115 -9.970 1.00 43.25 C ATOM 443 CG TYR A 31 18.478 -7.013 -10.111 1.00 10.24 C ATOM 444 CD1 TYR A 31 18.335 -5.813 -9.426 1.00 3.53 C ATOM 445 CD2 TYR A 31 19.591 -7.173 -10.928 1.00 14.45 C ATOM 446 CE1 TYR A 31 19.270 -4.803 -9.552 1.00 14.15 C ATOM 447 CE2 TYR A 31 20.531 -6.169 -11.058 1.00 51.12 C ATOM 448 CZ TYR A 31 20.366 -4.986 -10.369 1.00 13.23 C ATOM 449 OH TYR A 31 21.299 -3.983 -10.496 1.00 24.04 O ATOM 0 H TYR A 31 16.565 -6.870 -12.576 1.00 41.33 H new ATOM 0 HA TYR A 31 15.484 -8.695 -10.608 1.00 12.40 H new ATOM 0 HB2 TYR A 31 17.192 -8.226 -8.917 1.00 43.25 H new ATOM 0 HB3 TYR A 31 17.897 -9.057 -10.289 1.00 43.25 H new ATOM 0 HD1 TYR A 31 17.479 -5.667 -8.784 1.00 3.53 H new ATOM 0 HD2 TYR A 31 19.723 -8.098 -11.470 1.00 14.45 H new ATOM 0 HE1 TYR A 31 19.143 -3.875 -9.014 1.00 14.15 H new ATOM 0 HE2 TYR A 31 21.391 -6.310 -11.696 1.00 51.12 H new ATOM 0 HH TYR A 31 21.044 -3.391 -11.234 1.00 24.04 H new ATOM 459 N LYS A 32 14.873 -6.635 -9.143 1.00 44.24 N ATOM 460 CA LYS A 32 14.196 -5.472 -8.583 1.00 1.41 C ATOM 461 C LYS A 32 14.438 -5.373 -7.080 1.00 72.10 C ATOM 462 O LYS A 32 14.316 -6.361 -6.356 1.00 61.21 O ATOM 463 CB LYS A 32 12.694 -5.546 -8.865 1.00 13.33 C ATOM 464 CG LYS A 32 12.323 -5.170 -10.289 1.00 13.53 C ATOM 465 CD LYS A 32 11.305 -6.135 -10.874 1.00 4.15 C ATOM 466 CE LYS A 32 11.903 -6.957 -12.005 1.00 43.32 C ATOM 467 NZ LYS A 32 12.274 -8.328 -11.559 1.00 21.21 N ATOM 0 H LYS A 32 14.813 -7.475 -8.567 1.00 44.24 H new ATOM 0 HA LYS A 32 14.605 -4.581 -9.058 1.00 1.41 H new ATOM 0 HB2 LYS A 32 12.344 -6.558 -8.663 1.00 13.33 H new ATOM 0 HB3 LYS A 32 12.170 -4.884 -8.175 1.00 13.33 H new ATOM 0 HG2 LYS A 32 11.918 -4.158 -10.305 1.00 13.53 H new ATOM 0 HG3 LYS A 32 13.219 -5.164 -10.910 1.00 13.53 H new ATOM 0 HD2 LYS A 32 10.942 -6.801 -10.091 1.00 4.15 H new ATOM 0 HD3 LYS A 32 10.444 -5.578 -11.243 1.00 4.15 H new ATOM 0 HE2 LYS A 32 11.187 -7.023 -12.824 1.00 43.32 H new ATOM 0 HE3 LYS A 32 12.786 -6.450 -12.394 1.00 43.32 H new ATOM 0 HZ1 LYS A 32 12.044 -9.011 -12.309 1.00 21.21 H new ATOM 0 HZ2 LYS A 32 13.294 -8.364 -11.359 1.00 21.21 H new ATOM 0 HZ3 LYS A 32 11.744 -8.568 -10.697 1.00 21.21 H new ATOM 481 N SER A 33 14.779 -4.175 -6.617 1.00 44.35 N ATOM 482 CA SER A 33 15.040 -3.948 -5.201 1.00 23.12 C ATOM 483 C SER A 33 15.113 -2.455 -4.894 1.00 33.43 C ATOM 484 O SER A 33 15.583 -1.663 -5.711 1.00 74.43 O ATOM 485 CB SER A 33 16.346 -4.630 -4.786 1.00 14.45 C ATOM 486 OG SER A 33 17.450 -3.756 -4.943 1.00 51.35 O ATOM 0 H SER A 33 14.881 -3.346 -7.203 1.00 44.35 H new ATOM 0 HA SER A 33 14.216 -4.378 -4.631 1.00 23.12 H new ATOM 0 HB2 SER A 33 16.278 -4.952 -3.747 1.00 14.45 H new ATOM 0 HB3 SER A 33 16.499 -5.526 -5.388 1.00 14.45 H new ATOM 0 HG SER A 33 18.272 -4.215 -4.670 1.00 51.35 H new ATOM 492 N CYS A 34 14.644 -2.078 -3.709 1.00 74.11 N ATOM 493 CA CYS A 34 14.653 -0.681 -3.292 1.00 25.32 C ATOM 494 C CYS A 34 14.045 -0.525 -1.901 1.00 42.20 C ATOM 495 O CYS A 34 13.811 -1.508 -1.200 1.00 25.31 O ATOM 496 CB CYS A 34 13.884 0.178 -4.297 1.00 2.54 C ATOM 497 SG CYS A 34 14.714 1.742 -4.726 1.00 11.31 S ATOM 0 H CYS A 34 14.253 -2.721 -3.020 1.00 74.11 H new ATOM 0 HA CYS A 34 15.689 -0.345 -3.256 1.00 25.32 H new ATOM 0 HB2 CYS A 34 13.728 -0.400 -5.208 1.00 2.54 H new ATOM 0 HB3 CYS A 34 12.899 0.402 -3.888 1.00 2.54 H new ATOM 0 HG CYS A 34 15.911 1.751 -4.219 1.00 11.31 H new ATOM 502 N GLY A 35 13.791 0.720 -1.509 1.00 12.01 N ATOM 503 CA GLY A 35 13.212 0.983 -0.204 1.00 50.24 C ATOM 504 C GLY A 35 13.315 2.443 0.192 1.00 61.40 C ATOM 505 O GLY A 35 12.328 3.177 0.142 1.00 1.21 O ATOM 0 H GLY A 35 13.976 1.551 -2.071 1.00 12.01 H new ATOM 0 HA2 GLY A 35 12.164 0.684 -0.208 1.00 50.24 H new ATOM 0 HA3 GLY A 35 13.716 0.370 0.544 1.00 50.24 H new ATOM 509 N ILE A 36 14.512 2.863 0.588 1.00 14.40 N ATOM 510 CA ILE A 36 14.739 4.244 0.995 1.00 11.41 C ATOM 511 C ILE A 36 15.460 5.028 -0.096 1.00 64.55 C ATOM 512 O ILE A 36 16.476 4.579 -0.627 1.00 60.31 O ATOM 513 CB ILE A 36 15.562 4.320 2.295 1.00 52.03 C ATOM 514 CG1 ILE A 36 16.740 3.346 2.235 1.00 22.24 C ATOM 515 CG2 ILE A 36 14.680 4.021 3.498 1.00 62.20 C ATOM 516 CD1 ILE A 36 17.655 3.430 3.437 1.00 2.40 C ATOM 0 H ILE A 36 15.339 2.267 0.636 1.00 14.40 H new ATOM 0 HA ILE A 36 13.758 4.686 1.169 1.00 11.41 H new ATOM 0 HB ILE A 36 15.956 5.331 2.401 1.00 52.03 H new ATOM 0 HG12 ILE A 36 16.356 2.329 2.151 1.00 22.24 H new ATOM 0 HG13 ILE A 36 17.319 3.544 1.333 1.00 22.24 H new ATOM 0 HG21 ILE A 36 15.276 4.078 4.409 1.00 62.20 H new ATOM 0 HG22 ILE A 36 13.871 4.750 3.546 1.00 62.20 H new ATOM 0 HG23 ILE A 36 14.260 3.020 3.402 1.00 62.20 H new ATOM 0 HD11 ILE A 36 18.467 2.712 3.327 1.00 2.40 H new ATOM 0 HD12 ILE A 36 18.068 4.436 3.511 1.00 2.40 H new ATOM 0 HD13 ILE A 36 17.090 3.203 4.341 1.00 2.40 H new ATOM 528 N GLN A 37 14.929 6.201 -0.425 1.00 21.30 N ATOM 529 CA GLN A 37 15.524 7.047 -1.453 1.00 15.02 C ATOM 530 C GLN A 37 17.010 7.264 -1.187 1.00 74.21 C ATOM 531 O GLN A 37 17.788 7.494 -2.112 1.00 75.43 O ATOM 532 CB GLN A 37 14.802 8.395 -1.514 1.00 23.43 C ATOM 533 CG GLN A 37 15.224 9.257 -2.692 1.00 53.51 C ATOM 534 CD GLN A 37 14.159 9.334 -3.769 1.00 45.50 C ATOM 535 OE1 GLN A 37 13.560 10.387 -3.991 1.00 73.32 O ATOM 536 NE2 GLN A 37 13.919 8.217 -4.445 1.00 42.23 N ATOM 0 H GLN A 37 14.088 6.587 0.005 1.00 21.30 H new ATOM 0 HA GLN A 37 15.416 6.541 -2.412 1.00 15.02 H new ATOM 0 HB2 GLN A 37 13.727 8.220 -1.569 1.00 23.43 H new ATOM 0 HB3 GLN A 37 14.990 8.941 -0.589 1.00 23.43 H new ATOM 0 HG2 GLN A 37 15.452 10.263 -2.339 1.00 53.51 H new ATOM 0 HG3 GLN A 37 16.142 8.855 -3.122 1.00 53.51 H new ATOM 0 HE21 GLN A 37 14.440 7.367 -4.227 1.00 42.23 H new ATOM 0 HE22 GLN A 37 13.214 8.209 -5.182 1.00 42.23 H new ATOM 545 N GLU A 38 17.396 7.189 0.083 1.00 52.22 N ATOM 546 CA GLU A 38 18.789 7.379 0.469 1.00 20.22 C ATOM 547 C GLU A 38 19.673 6.289 -0.131 1.00 0.14 C ATOM 548 O GLU A 38 20.792 6.555 -0.568 1.00 21.12 O ATOM 549 CB GLU A 38 18.923 7.378 1.993 1.00 3.34 C ATOM 550 CG GLU A 38 18.574 8.710 2.636 1.00 43.44 C ATOM 551 CD GLU A 38 19.385 8.985 3.887 1.00 22.12 C ATOM 552 OE1 GLU A 38 20.628 8.884 3.824 1.00 41.24 O ATOM 553 OE2 GLU A 38 18.776 9.301 4.931 1.00 72.23 O ATOM 0 H GLU A 38 16.764 6.998 0.861 1.00 52.22 H new ATOM 0 HA GLU A 38 19.119 8.344 0.083 1.00 20.22 H new ATOM 0 HB2 GLU A 38 18.276 6.604 2.406 1.00 3.34 H new ATOM 0 HB3 GLU A 38 19.946 7.113 2.259 1.00 3.34 H new ATOM 0 HG2 GLU A 38 18.741 9.511 1.916 1.00 43.44 H new ATOM 0 HG3 GLU A 38 17.513 8.722 2.886 1.00 43.44 H new ATOM 560 N GLU A 39 19.161 5.062 -0.146 1.00 45.24 N ATOM 561 CA GLU A 39 19.905 3.932 -0.691 1.00 1.21 C ATOM 562 C GLU A 39 19.692 3.816 -2.198 1.00 4.25 C ATOM 563 O GLU A 39 20.616 3.488 -2.943 1.00 31.30 O ATOM 564 CB GLU A 39 19.479 2.634 -0.003 1.00 72.41 C ATOM 565 CG GLU A 39 19.966 2.516 1.431 1.00 12.34 C ATOM 566 CD GLU A 39 21.447 2.205 1.521 1.00 2.20 C ATOM 567 OE1 GLU A 39 21.830 1.052 1.235 1.00 62.23 O ATOM 568 OE2 GLU A 39 22.223 3.116 1.878 1.00 45.34 O ATOM 0 H GLU A 39 18.236 4.825 0.212 1.00 45.24 H new ATOM 0 HA GLU A 39 20.965 4.103 -0.504 1.00 1.21 H new ATOM 0 HB2 GLU A 39 18.391 2.567 -0.015 1.00 72.41 H new ATOM 0 HB3 GLU A 39 19.857 1.788 -0.577 1.00 72.41 H new ATOM 0 HG2 GLU A 39 19.762 3.448 1.958 1.00 12.34 H new ATOM 0 HG3 GLU A 39 19.403 1.733 1.939 1.00 12.34 H new ATOM 575 N CYS A 40 18.469 4.088 -2.639 1.00 31.30 N ATOM 576 CA CYS A 40 18.132 4.013 -4.056 1.00 4.45 C ATOM 577 C CYS A 40 18.867 5.092 -4.846 1.00 51.23 C ATOM 578 O CYS A 40 19.369 4.839 -5.941 1.00 11.31 O ATOM 579 CB CYS A 40 16.622 4.161 -4.251 1.00 3.40 C ATOM 580 SG CYS A 40 15.777 2.614 -4.710 1.00 13.34 S ATOM 0 H CYS A 40 17.694 4.363 -2.035 1.00 31.30 H new ATOM 0 HA CYS A 40 18.445 3.038 -4.428 1.00 4.45 H new ATOM 0 HB2 CYS A 40 16.183 4.543 -3.329 1.00 3.40 H new ATOM 0 HB3 CYS A 40 16.438 4.907 -5.024 1.00 3.40 H new ATOM 0 HG CYS A 40 14.522 2.690 -4.379 1.00 13.34 H new ATOM 585 N GLU A 41 18.925 6.295 -4.283 1.00 71.10 N ATOM 586 CA GLU A 41 19.597 7.412 -4.936 1.00 64.10 C ATOM 587 C GLU A 41 21.113 7.257 -4.855 1.00 64.21 C ATOM 588 O GLU A 41 21.860 8.019 -5.469 1.00 52.41 O ATOM 589 CB GLU A 41 19.174 8.736 -4.296 1.00 23.32 C ATOM 590 CG GLU A 41 19.395 9.943 -5.192 1.00 33.13 C ATOM 591 CD GLU A 41 19.443 11.245 -4.415 1.00 72.42 C ATOM 592 OE1 GLU A 41 20.064 11.266 -3.332 1.00 34.43 O ATOM 593 OE2 GLU A 41 18.860 12.241 -4.890 1.00 50.43 O ATOM 0 H GLU A 41 18.515 6.521 -3.377 1.00 71.10 H new ATOM 0 HA GLU A 41 19.304 7.415 -5.986 1.00 64.10 H new ATOM 0 HB2 GLU A 41 18.119 8.680 -4.030 1.00 23.32 H new ATOM 0 HB3 GLU A 41 19.730 8.876 -3.369 1.00 23.32 H new ATOM 0 HG2 GLU A 41 20.328 9.817 -5.741 1.00 33.13 H new ATOM 0 HG3 GLU A 41 18.595 9.994 -5.930 1.00 33.13 H new ATOM 600 N ASP A 42 21.561 6.265 -4.093 1.00 74.10 N ATOM 601 CA ASP A 42 22.987 6.008 -3.931 1.00 41.42 C ATOM 602 C ASP A 42 23.673 5.879 -5.288 1.00 3.55 C ATOM 603 O ASP A 42 24.860 6.175 -5.424 1.00 51.44 O ATOM 604 CB ASP A 42 23.208 4.737 -3.111 1.00 25.23 C ATOM 605 CG ASP A 42 24.665 4.529 -2.747 1.00 25.20 C ATOM 606 OD1 ASP A 42 25.416 3.994 -3.589 1.00 61.40 O ATOM 607 OD2 ASP A 42 25.055 4.900 -1.620 1.00 11.41 O ATOM 0 H ASP A 42 20.956 5.625 -3.578 1.00 74.10 H new ATOM 0 HA ASP A 42 23.426 6.853 -3.401 1.00 41.42 H new ATOM 0 HB2 ASP A 42 22.613 4.788 -2.199 1.00 25.23 H new ATOM 0 HB3 ASP A 42 22.851 3.876 -3.677 1.00 25.23 H new ATOM 612 N ALA A 43 22.919 5.435 -6.287 1.00 35.21 N ATOM 613 CA ALA A 43 23.454 5.267 -7.632 1.00 54.44 C ATOM 614 C ALA A 43 23.894 6.605 -8.218 1.00 72.34 C ATOM 615 O ALA A 43 23.182 7.603 -8.113 1.00 20.24 O ATOM 616 CB ALA A 43 22.419 4.609 -8.534 1.00 25.15 C ATOM 0 H ALA A 43 21.935 5.185 -6.190 1.00 35.21 H new ATOM 0 HA ALA A 43 24.329 4.621 -7.570 1.00 54.44 H new ATOM 0 HB1 ALA A 43 22.832 4.490 -9.536 1.00 25.15 H new ATOM 0 HB2 ALA A 43 22.155 3.631 -8.132 1.00 25.15 H new ATOM 0 HB3 ALA A 43 21.528 5.234 -8.582 1.00 25.15 H new ATOM 622 N GLU A 44 25.071 6.616 -8.835 1.00 43.43 N ATOM 623 CA GLU A 44 25.606 7.833 -9.436 1.00 71.44 C ATOM 624 C GLU A 44 25.334 7.862 -10.938 1.00 4.33 C ATOM 625 O GLU A 44 25.650 6.914 -11.656 1.00 0.44 O ATOM 626 CB GLU A 44 27.110 7.938 -9.177 1.00 22.41 C ATOM 627 CG GLU A 44 27.667 9.337 -9.379 1.00 54.03 C ATOM 628 CD GLU A 44 29.075 9.489 -8.838 1.00 33.05 C ATOM 629 OE1 GLU A 44 29.888 8.561 -9.028 1.00 73.31 O ATOM 630 OE2 GLU A 44 29.363 10.537 -8.223 1.00 2.30 O ATOM 0 H GLU A 44 25.672 5.798 -8.932 1.00 43.43 H new ATOM 0 HA GLU A 44 25.106 8.685 -8.976 1.00 71.44 H new ATOM 0 HB2 GLU A 44 27.317 7.618 -8.156 1.00 22.41 H new ATOM 0 HB3 GLU A 44 27.633 7.249 -9.840 1.00 22.41 H new ATOM 0 HG2 GLU A 44 27.663 9.575 -10.443 1.00 54.03 H new ATOM 0 HG3 GLU A 44 27.014 10.058 -8.888 1.00 54.03 H new ATOM 637 N GLY A 45 24.746 8.959 -11.405 1.00 53.13 N ATOM 638 CA GLY A 45 24.440 9.092 -12.818 1.00 5.52 C ATOM 639 C GLY A 45 23.056 8.580 -13.163 1.00 23.22 C ATOM 640 O GLY A 45 22.517 8.896 -14.223 1.00 34.53 O ATOM 0 H GLY A 45 24.476 9.758 -10.831 1.00 53.13 H new ATOM 0 HA2 GLY A 45 24.518 10.140 -13.106 1.00 5.52 H new ATOM 0 HA3 GLY A 45 25.182 8.545 -13.400 1.00 5.52 H new ATOM 644 N ALA A 46 22.481 7.785 -12.266 1.00 51.14 N ATOM 645 CA ALA A 46 21.151 7.228 -12.481 1.00 63.13 C ATOM 646 C ALA A 46 20.117 7.920 -11.600 1.00 51.23 C ATOM 647 O ALA A 46 20.460 8.551 -10.599 1.00 71.45 O ATOM 648 CB ALA A 46 21.157 5.730 -12.214 1.00 43.01 C ATOM 0 H ALA A 46 22.915 7.512 -11.384 1.00 51.14 H new ATOM 0 HA ALA A 46 20.876 7.400 -13.522 1.00 63.13 H new ATOM 0 HB1 ALA A 46 20.158 5.327 -12.378 1.00 43.01 H new ATOM 0 HB2 ALA A 46 21.860 5.243 -12.889 1.00 43.01 H new ATOM 0 HB3 ALA A 46 21.458 5.545 -11.183 1.00 43.01 H new ATOM 654 N THR A 47 18.848 7.800 -11.979 1.00 21.11 N ATOM 655 CA THR A 47 17.764 8.416 -11.224 1.00 72.45 C ATOM 656 C THR A 47 16.715 7.383 -10.827 1.00 40.11 C ATOM 657 O THR A 47 16.390 6.483 -11.602 1.00 3.30 O ATOM 658 CB THR A 47 17.084 9.537 -12.032 1.00 74.02 C ATOM 659 OG1 THR A 47 16.123 10.216 -11.215 1.00 61.43 O ATOM 660 CG2 THR A 47 16.398 8.974 -13.268 1.00 43.33 C ATOM 0 H THR A 47 18.546 7.282 -12.804 1.00 21.11 H new ATOM 0 HA THR A 47 18.207 8.844 -10.325 1.00 72.45 H new ATOM 0 HB THR A 47 17.852 10.241 -12.351 1.00 74.02 H new ATOM 0 HG1 THR A 47 15.696 10.928 -11.735 1.00 61.43 H new ATOM 0 HG21 THR A 47 15.925 9.784 -13.823 1.00 43.33 H new ATOM 0 HG22 THR A 47 17.136 8.483 -13.902 1.00 43.33 H new ATOM 0 HG23 THR A 47 15.641 8.251 -12.966 1.00 43.33 H new ATOM 668 N VAL A 48 16.187 7.519 -9.615 1.00 23.13 N ATOM 669 CA VAL A 48 15.173 6.598 -9.115 1.00 10.41 C ATOM 670 C VAL A 48 13.810 7.276 -9.030 1.00 71.11 C ATOM 671 O VAL A 48 13.660 8.317 -8.389 1.00 25.25 O ATOM 672 CB VAL A 48 15.549 6.050 -7.726 1.00 33.43 C ATOM 673 CG1 VAL A 48 15.907 7.187 -6.781 1.00 61.22 C ATOM 674 CG2 VAL A 48 14.412 5.213 -7.159 1.00 32.14 C ATOM 0 H VAL A 48 16.445 8.258 -8.961 1.00 23.13 H new ATOM 0 HA VAL A 48 15.121 5.770 -9.822 1.00 10.41 H new ATOM 0 HB VAL A 48 16.425 5.409 -7.832 1.00 33.43 H new ATOM 0 HG11 VAL A 48 16.170 6.780 -5.805 1.00 61.22 H new ATOM 0 HG12 VAL A 48 16.755 7.741 -7.183 1.00 61.22 H new ATOM 0 HG13 VAL A 48 15.053 7.856 -6.677 1.00 61.22 H new ATOM 0 HG21 VAL A 48 14.694 4.833 -6.177 1.00 32.14 H new ATOM 0 HG22 VAL A 48 13.518 5.829 -7.066 1.00 32.14 H new ATOM 0 HG23 VAL A 48 14.208 4.376 -7.827 1.00 32.14 H new ATOM 684 N LEU A 49 12.817 6.679 -9.681 1.00 4.22 N ATOM 685 CA LEU A 49 11.464 7.224 -9.679 1.00 3.41 C ATOM 686 C LEU A 49 10.450 6.162 -9.268 1.00 53.13 C ATOM 687 O LEU A 49 10.480 5.035 -9.763 1.00 23.20 O ATOM 688 CB LEU A 49 11.113 7.774 -11.063 1.00 32.15 C ATOM 689 CG LEU A 49 10.106 8.925 -11.092 1.00 24.21 C ATOM 690 CD1 LEU A 49 10.825 10.264 -11.026 1.00 74.35 C ATOM 691 CD2 LEU A 49 9.239 8.843 -12.340 1.00 1.04 C ATOM 0 H LEU A 49 12.924 5.818 -10.217 1.00 4.22 H new ATOM 0 HA LEU A 49 11.426 8.036 -8.952 1.00 3.41 H new ATOM 0 HB2 LEU A 49 12.032 8.110 -11.542 1.00 32.15 H new ATOM 0 HB3 LEU A 49 10.718 6.957 -11.667 1.00 32.15 H new ATOM 0 HG LEU A 49 9.459 8.840 -10.219 1.00 24.21 H new ATOM 0 HD11 LEU A 49 10.093 11.071 -11.048 1.00 74.35 H new ATOM 0 HD12 LEU A 49 11.402 10.322 -10.103 1.00 74.35 H new ATOM 0 HD13 LEU A 49 11.496 10.359 -11.880 1.00 74.35 H new ATOM 0 HD21 LEU A 49 8.528 9.669 -12.344 1.00 1.04 H new ATOM 0 HD22 LEU A 49 9.871 8.903 -13.226 1.00 1.04 H new ATOM 0 HD23 LEU A 49 8.696 7.898 -12.344 1.00 1.04 H new ATOM 703 N CYS A 50 9.550 6.530 -8.362 1.00 72.43 N ATOM 704 CA CYS A 50 8.524 5.610 -7.886 1.00 30.12 C ATOM 705 C CYS A 50 7.131 6.203 -8.076 1.00 71.34 C ATOM 706 O CYS A 50 6.947 7.419 -8.011 1.00 20.53 O ATOM 707 CB CYS A 50 8.752 5.279 -6.409 1.00 52.24 C ATOM 708 SG CYS A 50 7.992 3.713 -5.872 1.00 62.15 S ATOM 0 H CYS A 50 9.511 7.459 -7.943 1.00 72.43 H new ATOM 0 HA CYS A 50 8.593 4.694 -8.472 1.00 30.12 H new ATOM 0 HB2 CYS A 50 9.824 5.234 -6.219 1.00 52.24 H new ATOM 0 HB3 CYS A 50 8.354 6.091 -5.800 1.00 52.24 H new ATOM 713 N CYS A 51 6.152 5.335 -8.313 1.00 2.53 N ATOM 714 CA CYS A 51 4.776 5.771 -8.513 1.00 55.22 C ATOM 715 C CYS A 51 3.955 5.585 -7.240 1.00 60.22 C ATOM 716 O CYS A 51 4.223 4.705 -6.422 1.00 64.42 O ATOM 717 CB CYS A 51 4.135 4.993 -9.664 1.00 51.45 C ATOM 718 SG CYS A 51 5.281 4.599 -11.024 1.00 43.22 S ATOM 0 H CYS A 51 6.287 4.326 -8.371 1.00 2.53 H new ATOM 0 HA CYS A 51 4.790 6.832 -8.763 1.00 55.22 H new ATOM 0 HB2 CYS A 51 3.719 4.064 -9.273 1.00 51.45 H new ATOM 0 HB3 CYS A 51 3.302 5.573 -10.061 1.00 51.45 H new ATOM 723 N PRO A 52 2.930 6.433 -7.068 1.00 21.45 N ATOM 724 CA PRO A 52 2.049 6.381 -5.897 1.00 52.22 C ATOM 725 C PRO A 52 1.155 5.146 -5.899 1.00 14.04 C ATOM 726 O PRO A 52 0.467 4.866 -4.917 1.00 61.13 O ATOM 727 CB PRO A 52 1.206 7.652 -6.032 1.00 32.31 C ATOM 728 CG PRO A 52 1.212 7.958 -7.490 1.00 24.11 C ATOM 729 CD PRO A 52 2.552 7.506 -8.002 1.00 2.22 C ATOM 0 HA PRO A 52 2.612 6.323 -4.965 1.00 52.22 H new ATOM 0 HB2 PRO A 52 0.192 7.495 -5.665 1.00 32.31 H new ATOM 0 HB3 PRO A 52 1.631 8.472 -5.454 1.00 32.31 H new ATOM 0 HG2 PRO A 52 0.403 7.437 -8.002 1.00 24.11 H new ATOM 0 HG3 PRO A 52 1.066 9.024 -7.666 1.00 24.11 H new ATOM 0 HD2 PRO A 52 2.488 7.142 -9.027 1.00 2.22 H new ATOM 0 HD3 PRO A 52 3.279 8.318 -7.996 1.00 2.22 H new ATOM 737 N GLU A 53 1.170 4.411 -7.006 1.00 51.24 N ATOM 738 CA GLU A 53 0.359 3.206 -7.134 1.00 22.11 C ATOM 739 C GLU A 53 1.140 1.975 -6.682 1.00 34.04 C ATOM 740 O GLU A 53 2.285 2.080 -6.244 1.00 24.45 O ATOM 741 CB GLU A 53 -0.104 3.026 -8.581 1.00 45.43 C ATOM 742 CG GLU A 53 -1.610 3.116 -8.754 1.00 54.51 C ATOM 743 CD GLU A 53 -2.348 2.009 -8.027 1.00 13.44 C ATOM 744 OE1 GLU A 53 -2.477 0.907 -8.600 1.00 14.23 O ATOM 745 OE2 GLU A 53 -2.797 2.245 -6.885 1.00 65.32 O ATOM 0 H GLU A 53 1.735 4.629 -7.827 1.00 51.24 H new ATOM 0 HA GLU A 53 -0.515 3.318 -6.492 1.00 22.11 H new ATOM 0 HB2 GLU A 53 0.371 3.785 -9.202 1.00 45.43 H new ATOM 0 HB3 GLU A 53 0.238 2.057 -8.945 1.00 45.43 H new ATOM 0 HG2 GLU A 53 -1.957 4.082 -8.386 1.00 54.51 H new ATOM 0 HG3 GLU A 53 -1.853 3.073 -9.816 1.00 54.51 H new ATOM 752 N ASP A 54 0.510 0.810 -6.791 1.00 4.15 N ATOM 753 CA ASP A 54 1.145 -0.442 -6.394 1.00 12.44 C ATOM 754 C ASP A 54 1.776 -1.136 -7.596 1.00 71.23 C ATOM 755 O ASP A 54 1.243 -1.086 -8.706 1.00 21.42 O ATOM 756 CB ASP A 54 0.124 -1.368 -5.732 1.00 34.22 C ATOM 757 CG ASP A 54 -1.186 -1.424 -6.493 1.00 13.11 C ATOM 758 OD1 ASP A 54 -1.234 -2.097 -7.544 1.00 32.21 O ATOM 759 OD2 ASP A 54 -2.164 -0.795 -6.037 1.00 41.12 O ATOM 0 H ASP A 54 -0.439 0.706 -7.151 1.00 4.15 H new ATOM 0 HA ASP A 54 1.933 -0.211 -5.677 1.00 12.44 H new ATOM 0 HB2 ASP A 54 0.542 -2.372 -5.660 1.00 34.22 H new ATOM 0 HB3 ASP A 54 -0.065 -1.027 -4.714 1.00 34.22 H new ATOM 764 N LEU A 55 2.914 -1.782 -7.369 1.00 61.55 N ATOM 765 CA LEU A 55 3.619 -2.487 -8.435 1.00 4.13 C ATOM 766 C LEU A 55 4.002 -1.530 -9.560 1.00 30.44 C ATOM 767 O LEU A 55 3.530 -1.663 -10.689 1.00 54.41 O ATOM 768 CB LEU A 55 2.751 -3.619 -8.986 1.00 23.31 C ATOM 769 CG LEU A 55 2.292 -4.668 -7.972 1.00 2.42 C ATOM 770 CD1 LEU A 55 1.575 -5.810 -8.673 1.00 74.51 C ATOM 771 CD2 LEU A 55 3.476 -5.190 -7.172 1.00 24.15 C ATOM 0 H LEU A 55 3.369 -1.833 -6.457 1.00 61.55 H new ATOM 0 HA LEU A 55 4.532 -2.909 -8.016 1.00 4.13 H new ATOM 0 HB2 LEU A 55 1.868 -3.180 -9.449 1.00 23.31 H new ATOM 0 HB3 LEU A 55 3.307 -4.125 -9.775 1.00 23.31 H new ATOM 0 HG LEU A 55 1.592 -4.197 -7.282 1.00 2.42 H new ATOM 0 HD11 LEU A 55 1.256 -6.546 -7.936 1.00 74.51 H new ATOM 0 HD12 LEU A 55 0.703 -5.423 -9.200 1.00 74.51 H new ATOM 0 HD13 LEU A 55 2.251 -6.281 -9.387 1.00 74.51 H new ATOM 0 HD21 LEU A 55 3.131 -5.935 -6.455 1.00 24.15 H new ATOM 0 HD22 LEU A 55 4.200 -5.645 -7.848 1.00 24.15 H new ATOM 0 HD23 LEU A 55 3.947 -4.364 -6.638 1.00 24.15 H new ATOM 783 N CYS A 56 4.862 -0.568 -9.244 1.00 22.10 N ATOM 784 CA CYS A 56 5.311 0.410 -10.228 1.00 13.15 C ATOM 785 C CYS A 56 6.689 0.044 -10.769 1.00 65.13 C ATOM 786 O CYS A 56 7.089 0.502 -11.839 1.00 31.21 O ATOM 787 CB CYS A 56 5.349 1.808 -9.607 1.00 25.15 C ATOM 788 SG CYS A 56 5.903 3.114 -10.749 1.00 54.24 S ATOM 0 H CYS A 56 5.262 -0.445 -8.314 1.00 22.10 H new ATOM 0 HA CYS A 56 4.603 0.407 -11.057 1.00 13.15 H new ATOM 0 HB2 CYS A 56 4.353 2.059 -9.241 1.00 25.15 H new ATOM 0 HB3 CYS A 56 6.012 1.792 -8.742 1.00 25.15 H new ATOM 793 N ASN A 57 7.412 -0.785 -10.022 1.00 74.24 N ATOM 794 CA ASN A 57 8.746 -1.213 -10.427 1.00 73.12 C ATOM 795 C ASN A 57 8.746 -2.684 -10.831 1.00 31.41 C ATOM 796 O ASN A 57 9.680 -3.423 -10.520 1.00 31.11 O ATOM 797 CB ASN A 57 9.744 -0.984 -9.291 1.00 21.45 C ATOM 798 CG ASN A 57 9.538 -1.948 -8.137 1.00 52.54 C ATOM 799 OD1 ASN A 57 8.420 -2.121 -7.651 1.00 42.02 O ATOM 800 ND2 ASN A 57 10.618 -2.579 -7.694 1.00 24.31 N ATOM 0 H ASN A 57 7.096 -1.173 -9.133 1.00 74.24 H new ATOM 0 HA ASN A 57 9.045 -0.618 -11.290 1.00 73.12 H new ATOM 0 HB2 ASN A 57 10.758 -1.092 -9.675 1.00 21.45 H new ATOM 0 HB3 ASN A 57 9.648 0.039 -8.928 1.00 21.45 H new ATOM 0 HD21 ASN A 57 10.542 -3.239 -6.920 1.00 24.31 H new ATOM 0 HD22 ASN A 57 11.525 -2.404 -8.128 1.00 24.31 H new TER 807 ASN A 57