USER MOD reduce.3.24.130724 H: found=0, std=0, add=460, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 458 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 23 ASN :FLIP amide:sc= 0.298 F(o=-0.6,f=0.7) USER MOD Set 1.2: A 33 SER OG : rot 180:sc= 0.404 USER MOD Single : A 1 VAL N :NH3+ 157:sc= -0.183 (180deg=-0.478) USER MOD Single : A 5 TYR OH : rot 180:sc= -0.504 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 ASN : amide:sc= -2.53 K(o=-2.5,f=-10!) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 THR OG1 : rot -36:sc= 0.58 USER MOD Single : A 29 ASN : amide:sc= 0.201 K(o=0.2,f=-1.7) USER MOD Single : A 35 TYR OH : rot -54:sc= 0.00166 USER MOD Single : A 37 GLN : amide:sc= -0.427 X(o=-0.43,f=-0.6) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 ASN : amide:sc= -1.11 X(o=-1.1,f=-0.8) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 1.724 -1.029 -0.309 1.00 32.24 N ATOM 2 CA VAL A 1 2.328 -0.872 -1.626 1.00 62.21 C ATOM 3 C VAL A 1 3.104 0.437 -1.722 1.00 71.34 C ATOM 4 O VAL A 1 2.718 1.444 -1.129 1.00 54.14 O ATOM 5 CB VAL A 1 1.265 -0.909 -2.740 1.00 34.15 C ATOM 6 CG1 VAL A 1 0.803 -2.337 -2.990 1.00 42.44 C ATOM 7 CG2 VAL A 1 0.087 -0.015 -2.381 1.00 44.20 C ATOM 0 H1 VAL A 1 0.916 -1.681 -0.373 1.00 32.24 H new ATOM 0 H2 VAL A 1 2.428 -1.414 0.352 1.00 32.24 H new ATOM 0 H3 VAL A 1 1.396 -0.104 0.035 1.00 32.24 H new ATOM 0 HA VAL A 1 3.014 -1.709 -1.761 1.00 62.21 H new ATOM 0 HB VAL A 1 1.713 -0.531 -3.659 1.00 34.15 H new ATOM 0 HG11 VAL A 1 0.052 -2.343 -3.780 1.00 42.44 H new ATOM 0 HG12 VAL A 1 1.654 -2.947 -3.293 1.00 42.44 H new ATOM 0 HG13 VAL A 1 0.371 -2.745 -2.076 1.00 42.44 H new ATOM 0 HG21 VAL A 1 -0.655 -0.053 -3.179 1.00 44.20 H new ATOM 0 HG22 VAL A 1 -0.363 -0.362 -1.451 1.00 44.20 H new ATOM 0 HG23 VAL A 1 0.434 1.011 -2.256 1.00 44.20 H new ATOM 17 N ARG A 2 4.200 0.415 -2.474 1.00 32.21 N ATOM 18 CA ARG A 2 5.031 1.600 -2.648 1.00 31.13 C ATOM 19 C ARG A 2 5.455 1.758 -4.105 1.00 31.31 C ATOM 20 O ARG A 2 5.691 0.772 -4.803 1.00 61.33 O ATOM 21 CB ARG A 2 6.268 1.517 -1.752 1.00 10.35 C ATOM 22 CG ARG A 2 6.079 0.629 -0.533 1.00 11.24 C ATOM 23 CD ARG A 2 6.374 -0.828 -0.854 1.00 12.42 C ATOM 24 NE ARG A 2 7.380 -1.392 0.041 1.00 24.40 N ATOM 25 CZ ARG A 2 8.688 -1.224 -0.124 1.00 34.01 C ATOM 26 NH1 ARG A 2 9.144 -0.510 -1.144 1.00 21.51 N ATOM 27 NH2 ARG A 2 9.541 -1.770 0.733 1.00 4.40 N ATOM 0 H ARG A 2 4.533 -0.410 -2.972 1.00 32.21 H new ATOM 0 HA ARG A 2 4.442 2.471 -2.363 1.00 31.13 H new ATOM 0 HB2 ARG A 2 7.106 1.141 -2.338 1.00 10.35 H new ATOM 0 HB3 ARG A 2 6.535 2.521 -1.422 1.00 10.35 H new ATOM 0 HG2 ARG A 2 6.735 0.966 0.269 1.00 11.24 H new ATOM 0 HG3 ARG A 2 5.056 0.722 -0.168 1.00 11.24 H new ATOM 0 HD2 ARG A 2 5.455 -1.409 -0.779 1.00 12.42 H new ATOM 0 HD3 ARG A 2 6.719 -0.910 -1.885 1.00 12.42 H new ATOM 0 HE ARG A 2 7.062 -1.945 0.837 1.00 24.40 H new ATOM 0 HH11 ARG A 2 8.490 -0.088 -1.804 1.00 21.51 H new ATOM 0 HH12 ARG A 2 10.148 -0.382 -1.269 1.00 21.51 H new ATOM 0 HH21 ARG A 2 9.193 -2.319 1.519 1.00 4.40 H new ATOM 0 HH22 ARG A 2 10.545 -1.641 0.606 1.00 4.40 H new ATOM 41 N ASP A 3 5.549 3.003 -4.557 1.00 15.42 N ATOM 42 CA ASP A 3 5.944 3.291 -5.931 1.00 24.34 C ATOM 43 C ASP A 3 7.453 3.495 -6.030 1.00 11.31 C ATOM 44 O ASP A 3 8.064 4.115 -5.160 1.00 33.24 O ATOM 45 CB ASP A 3 5.214 4.532 -6.445 1.00 71.15 C ATOM 46 CG ASP A 3 3.981 4.859 -5.627 1.00 14.03 C ATOM 47 OD1 ASP A 3 3.134 3.959 -5.443 1.00 3.04 O ATOM 48 OD2 ASP A 3 3.862 6.015 -5.169 1.00 61.23 O ATOM 0 H ASP A 3 5.357 3.830 -3.992 1.00 15.42 H new ATOM 0 HA ASP A 3 5.669 2.436 -6.549 1.00 24.34 H new ATOM 0 HB2 ASP A 3 5.894 5.383 -6.427 1.00 71.15 H new ATOM 0 HB3 ASP A 3 4.926 4.376 -7.485 1.00 71.15 H new ATOM 53 N ALA A 4 8.047 2.969 -7.096 1.00 3.51 N ATOM 54 CA ALA A 4 9.484 3.095 -7.309 1.00 53.24 C ATOM 55 C ALA A 4 9.911 2.397 -8.596 1.00 53.21 C ATOM 56 O ALA A 4 9.078 1.867 -9.332 1.00 20.32 O ATOM 57 CB ALA A 4 10.246 2.528 -6.121 1.00 34.41 C ATOM 0 H ALA A 4 7.556 2.452 -7.825 1.00 3.51 H new ATOM 0 HA ALA A 4 9.720 4.155 -7.405 1.00 53.24 H new ATOM 0 HB1 ALA A 4 11.317 2.629 -6.294 1.00 34.41 H new ATOM 0 HB2 ALA A 4 9.971 3.074 -5.218 1.00 34.41 H new ATOM 0 HB3 ALA A 4 9.996 1.474 -5.998 1.00 34.41 H new ATOM 63 N TYR A 5 11.212 2.402 -8.862 1.00 61.22 N ATOM 64 CA TYR A 5 11.749 1.772 -10.062 1.00 60.44 C ATOM 65 C TYR A 5 11.839 0.258 -9.889 1.00 43.53 C ATOM 66 O TYR A 5 12.758 -0.250 -9.246 1.00 71.00 O ATOM 67 CB TYR A 5 13.130 2.342 -10.389 1.00 22.01 C ATOM 68 CG TYR A 5 13.082 3.650 -11.147 1.00 33.54 C ATOM 69 CD1 TYR A 5 12.820 3.675 -12.511 1.00 5.51 C ATOM 70 CD2 TYR A 5 13.296 4.859 -10.498 1.00 2.34 C ATOM 71 CE1 TYR A 5 12.776 4.868 -13.207 1.00 60.21 C ATOM 72 CE2 TYR A 5 13.252 6.057 -11.186 1.00 21.45 C ATOM 73 CZ TYR A 5 12.992 6.056 -12.540 1.00 62.41 C ATOM 74 OH TYR A 5 12.947 7.245 -13.230 1.00 3.52 O ATOM 0 H TYR A 5 11.914 2.835 -8.263 1.00 61.22 H new ATOM 0 HA TYR A 5 11.071 1.986 -10.888 1.00 60.44 H new ATOM 0 HB2 TYR A 5 13.682 2.490 -9.461 1.00 22.01 H new ATOM 0 HB3 TYR A 5 13.685 1.611 -10.977 1.00 22.01 H new ATOM 0 HD1 TYR A 5 12.648 2.747 -13.036 1.00 5.51 H new ATOM 0 HD2 TYR A 5 13.500 4.863 -9.438 1.00 2.34 H new ATOM 0 HE1 TYR A 5 12.574 4.870 -14.268 1.00 60.21 H new ATOM 0 HE2 TYR A 5 13.420 6.988 -10.666 1.00 21.45 H new ATOM 0 HH TYR A 5 13.119 7.987 -12.614 1.00 3.52 H new ATOM 84 N ILE A 6 10.880 -0.455 -10.469 1.00 15.24 N ATOM 85 CA ILE A 6 10.851 -1.910 -10.381 1.00 13.54 C ATOM 86 C ILE A 6 12.095 -2.523 -11.013 1.00 61.31 C ATOM 87 O ILE A 6 12.640 -1.990 -11.979 1.00 60.11 O ATOM 88 CB ILE A 6 9.600 -2.490 -11.067 1.00 21.34 C ATOM 89 CG1 ILE A 6 9.638 -4.020 -11.035 1.00 0.43 C ATOM 90 CG2 ILE A 6 9.500 -1.987 -12.499 1.00 20.30 C ATOM 91 CD1 ILE A 6 8.332 -4.665 -11.442 1.00 61.02 C ATOM 0 H ILE A 6 10.113 -0.049 -11.005 1.00 15.24 H new ATOM 0 HA ILE A 6 10.824 -2.162 -9.321 1.00 13.54 H new ATOM 0 HB ILE A 6 8.717 -2.155 -10.523 1.00 21.34 H new ATOM 0 HG12 ILE A 6 10.429 -4.370 -11.698 1.00 0.43 H new ATOM 0 HG13 ILE A 6 9.898 -4.348 -10.029 1.00 0.43 H new ATOM 0 HG21 ILE A 6 8.611 -2.406 -12.970 1.00 20.30 H new ATOM 0 HG22 ILE A 6 9.432 -0.899 -12.499 1.00 20.30 H new ATOM 0 HG23 ILE A 6 10.385 -2.295 -13.056 1.00 20.30 H new ATOM 0 HD11 ILE A 6 8.432 -5.749 -11.396 1.00 61.02 H new ATOM 0 HD12 ILE A 6 7.541 -4.344 -10.764 1.00 61.02 H new ATOM 0 HD13 ILE A 6 8.080 -4.367 -12.460 1.00 61.02 H new ATOM 103 N ALA A 7 12.538 -3.649 -10.462 1.00 44.44 N ATOM 104 CA ALA A 7 13.716 -4.338 -10.975 1.00 1.31 C ATOM 105 C ALA A 7 13.627 -5.839 -10.722 1.00 4.21 C ATOM 106 O ALA A 7 12.719 -6.311 -10.038 1.00 24.34 O ATOM 107 CB ALA A 7 14.978 -3.768 -10.343 1.00 54.34 C ATOM 0 H ALA A 7 12.099 -4.103 -9.661 1.00 44.44 H new ATOM 0 HA ALA A 7 13.759 -4.179 -12.053 1.00 1.31 H new ATOM 0 HB1 ALA A 7 15.850 -4.292 -10.735 1.00 54.34 H new ATOM 0 HB2 ALA A 7 15.056 -2.707 -10.579 1.00 54.34 H new ATOM 0 HB3 ALA A 7 14.933 -3.897 -9.262 1.00 54.34 H new ATOM 113 N LYS A 8 14.575 -6.585 -11.279 1.00 4.03 N ATOM 114 CA LYS A 8 14.606 -8.033 -11.114 1.00 35.35 C ATOM 115 C LYS A 8 15.854 -8.468 -10.352 1.00 74.30 C ATOM 116 O LYS A 8 16.950 -7.947 -10.560 1.00 33.35 O ATOM 117 CB LYS A 8 14.561 -8.724 -12.478 1.00 44.04 C ATOM 118 CG LYS A 8 14.782 -10.225 -12.408 1.00 22.10 C ATOM 119 CD LYS A 8 15.080 -10.810 -13.778 1.00 41.25 C ATOM 120 CE LYS A 8 16.535 -11.237 -13.898 1.00 41.20 C ATOM 121 NZ LYS A 8 16.714 -12.686 -13.606 1.00 34.10 N ATOM 0 H LYS A 8 15.333 -6.210 -11.849 1.00 4.03 H new ATOM 0 HA LYS A 8 13.729 -8.326 -10.537 1.00 35.35 H new ATOM 0 HB2 LYS A 8 13.595 -8.529 -12.943 1.00 44.04 H new ATOM 0 HB3 LYS A 8 15.320 -8.283 -13.124 1.00 44.04 H new ATOM 0 HG2 LYS A 8 15.609 -10.441 -11.732 1.00 22.10 H new ATOM 0 HG3 LYS A 8 13.896 -10.705 -11.991 1.00 22.10 H new ATOM 0 HD2 LYS A 8 14.432 -11.668 -13.957 1.00 41.25 H new ATOM 0 HD3 LYS A 8 14.852 -10.072 -14.547 1.00 41.25 H new ATOM 0 HE2 LYS A 8 16.895 -11.022 -14.904 1.00 41.20 H new ATOM 0 HE3 LYS A 8 17.144 -10.650 -13.210 1.00 41.20 H new ATOM 0 HZ1 LYS A 8 17.719 -12.937 -13.698 1.00 34.10 H new ATOM 0 HZ2 LYS A 8 16.395 -12.887 -12.637 1.00 34.10 H new ATOM 0 HZ3 LYS A 8 16.154 -13.247 -14.278 1.00 34.10 H new ATOM 135 N PRO A 9 15.687 -9.447 -9.450 1.00 15.31 N ATOM 136 CA PRO A 9 16.789 -9.974 -8.641 1.00 63.51 C ATOM 137 C PRO A 9 17.785 -10.777 -9.472 1.00 3.42 C ATOM 138 O PRO A 9 17.454 -11.267 -10.551 1.00 11.24 O ATOM 139 CB PRO A 9 16.085 -10.881 -7.629 1.00 34.11 C ATOM 140 CG PRO A 9 14.817 -11.284 -8.300 1.00 30.23 C ATOM 141 CD PRO A 9 14.408 -10.114 -9.150 1.00 42.45 C ATOM 0 HA PRO A 9 17.376 -9.177 -8.184 1.00 63.51 H new ATOM 0 HB2 PRO A 9 16.696 -11.749 -7.383 1.00 34.11 H new ATOM 0 HB3 PRO A 9 15.889 -10.355 -6.695 1.00 34.11 H new ATOM 0 HG2 PRO A 9 14.964 -12.176 -8.909 1.00 30.23 H new ATOM 0 HG3 PRO A 9 14.046 -11.522 -7.567 1.00 30.23 H new ATOM 0 HD2 PRO A 9 13.900 -10.436 -10.059 1.00 42.45 H new ATOM 0 HD3 PRO A 9 13.724 -9.452 -8.620 1.00 42.45 H new ATOM 149 N GLU A 10 19.006 -10.906 -8.961 1.00 71.22 N ATOM 150 CA GLU A 10 19.364 -10.312 -7.679 1.00 33.14 C ATOM 151 C GLU A 10 19.781 -8.855 -7.852 1.00 2.44 C ATOM 152 O GLU A 10 20.810 -8.561 -8.459 1.00 10.42 O ATOM 153 CB GLU A 10 20.497 -11.104 -7.023 1.00 32.21 C ATOM 154 CG GLU A 10 20.383 -12.606 -7.221 1.00 30.45 C ATOM 155 CD GLU A 10 21.390 -13.382 -6.393 1.00 52.31 C ATOM 156 OE1 GLU A 10 21.523 -13.081 -5.188 1.00 63.32 O ATOM 157 OE2 GLU A 10 22.044 -14.288 -6.950 1.00 1.21 O ATOM 0 H GLU A 10 19.763 -11.416 -9.416 1.00 71.22 H new ATOM 0 HA GLU A 10 18.486 -10.346 -7.034 1.00 33.14 H new ATOM 0 HB2 GLU A 10 21.450 -10.764 -7.429 1.00 32.21 H new ATOM 0 HB3 GLU A 10 20.510 -10.887 -5.955 1.00 32.21 H new ATOM 0 HG2 GLU A 10 19.376 -12.928 -6.957 1.00 30.45 H new ATOM 0 HG3 GLU A 10 20.527 -12.842 -8.275 1.00 30.45 H new ATOM 164 N ASN A 11 18.974 -7.946 -7.314 1.00 30.14 N ATOM 165 CA ASN A 11 19.258 -6.519 -7.409 1.00 42.20 C ATOM 166 C ASN A 11 19.762 -6.157 -8.803 1.00 4.43 C ATOM 167 O ASN A 11 20.943 -5.860 -8.990 1.00 52.02 O ATOM 168 CB ASN A 11 20.293 -6.112 -6.358 1.00 64.43 C ATOM 169 CG ASN A 11 20.105 -4.684 -5.883 1.00 63.54 C ATOM 170 OD1 ASN A 11 19.005 -4.136 -5.950 1.00 60.31 O ATOM 171 ND2 ASN A 11 21.182 -4.075 -5.401 1.00 11.02 N ATOM 0 H ASN A 11 18.118 -8.173 -6.808 1.00 30.14 H new ATOM 0 HA ASN A 11 18.331 -5.976 -7.225 1.00 42.20 H new ATOM 0 HB2 ASN A 11 20.225 -6.787 -5.505 1.00 64.43 H new ATOM 0 HB3 ASN A 11 21.294 -6.224 -6.775 1.00 64.43 H new ATOM 0 HD21 ASN A 11 21.118 -3.113 -5.067 1.00 11.02 H new ATOM 0 HD22 ASN A 11 22.074 -4.569 -5.365 1.00 11.02 H new ATOM 178 N CYS A 12 18.860 -6.182 -9.778 1.00 31.44 N ATOM 179 CA CYS A 12 19.211 -5.857 -11.155 1.00 4.15 C ATOM 180 C CYS A 12 18.134 -4.990 -11.801 1.00 22.54 C ATOM 181 O CYS A 12 16.942 -5.276 -11.688 1.00 60.23 O ATOM 182 CB CYS A 12 19.408 -7.137 -11.969 1.00 22.11 C ATOM 183 SG CYS A 12 21.147 -7.504 -12.369 1.00 22.24 S ATOM 0 H CYS A 12 17.879 -6.424 -9.640 1.00 31.44 H new ATOM 0 HA CYS A 12 20.145 -5.295 -11.143 1.00 4.15 H new ATOM 0 HB2 CYS A 12 18.989 -7.976 -11.413 1.00 22.11 H new ATOM 0 HB3 CYS A 12 18.842 -7.055 -12.897 1.00 22.11 H new ATOM 188 N VAL A 13 18.563 -3.930 -12.478 1.00 31.00 N ATOM 189 CA VAL A 13 17.636 -3.022 -13.144 1.00 23.24 C ATOM 190 C VAL A 13 16.911 -3.720 -14.289 1.00 41.40 C ATOM 191 O VAL A 13 17.396 -4.713 -14.831 1.00 32.20 O ATOM 192 CB VAL A 13 18.364 -1.780 -13.692 1.00 33.14 C ATOM 193 CG1 VAL A 13 18.906 -0.932 -12.551 1.00 64.52 C ATOM 194 CG2 VAL A 13 19.480 -2.192 -14.639 1.00 4.00 C ATOM 0 H VAL A 13 19.546 -3.679 -12.580 1.00 31.00 H new ATOM 0 HA VAL A 13 16.908 -2.707 -12.396 1.00 23.24 H new ATOM 0 HB VAL A 13 17.648 -1.178 -14.252 1.00 33.14 H new ATOM 0 HG11 VAL A 13 19.417 -0.059 -12.957 1.00 64.52 H new ATOM 0 HG12 VAL A 13 18.082 -0.607 -11.916 1.00 64.52 H new ATOM 0 HG13 VAL A 13 19.608 -1.521 -11.961 1.00 64.52 H new ATOM 0 HG21 VAL A 13 19.984 -1.302 -15.017 1.00 4.00 H new ATOM 0 HG22 VAL A 13 20.197 -2.816 -14.106 1.00 4.00 H new ATOM 0 HG23 VAL A 13 19.060 -2.753 -15.474 1.00 4.00 H new ATOM 204 N TYR A 14 15.748 -3.192 -14.653 1.00 74.42 N ATOM 205 CA TYR A 14 14.954 -3.765 -15.734 1.00 34.33 C ATOM 206 C TYR A 14 14.768 -2.759 -16.865 1.00 74.45 C ATOM 207 O TYR A 14 14.019 -1.792 -16.733 1.00 72.01 O ATOM 208 CB TYR A 14 13.590 -4.217 -15.209 1.00 31.05 C ATOM 209 CG TYR A 14 13.230 -5.633 -15.598 1.00 55.23 C ATOM 210 CD1 TYR A 14 13.496 -6.112 -16.875 1.00 22.33 C ATOM 211 CD2 TYR A 14 12.623 -6.491 -14.689 1.00 70.35 C ATOM 212 CE1 TYR A 14 13.168 -7.405 -17.235 1.00 51.22 C ATOM 213 CE2 TYR A 14 12.293 -7.786 -15.041 1.00 15.22 C ATOM 214 CZ TYR A 14 12.567 -8.238 -16.315 1.00 15.32 C ATOM 215 OH TYR A 14 12.239 -9.526 -16.670 1.00 22.44 O ATOM 0 H TYR A 14 15.334 -2.369 -14.216 1.00 74.42 H new ATOM 0 HA TYR A 14 15.490 -4.630 -16.125 1.00 34.33 H new ATOM 0 HB2 TYR A 14 13.583 -4.135 -14.122 1.00 31.05 H new ATOM 0 HB3 TYR A 14 12.823 -3.540 -15.585 1.00 31.05 H new ATOM 0 HD1 TYR A 14 13.967 -5.463 -17.598 1.00 22.33 H new ATOM 0 HD2 TYR A 14 12.406 -6.140 -13.691 1.00 70.35 H new ATOM 0 HE1 TYR A 14 13.381 -7.761 -18.232 1.00 51.22 H new ATOM 0 HE2 TYR A 14 11.823 -8.441 -14.322 1.00 15.22 H new ATOM 0 HH TYR A 14 11.824 -9.980 -15.907 1.00 22.44 H new ATOM 225 N GLU A 15 15.455 -2.997 -17.978 1.00 51.24 N ATOM 226 CA GLU A 15 15.366 -2.112 -19.134 1.00 12.21 C ATOM 227 C GLU A 15 14.091 -2.380 -19.928 1.00 34.22 C ATOM 228 O GLU A 15 13.768 -3.528 -20.236 1.00 53.25 O ATOM 229 CB GLU A 15 16.589 -2.290 -20.036 1.00 74.13 C ATOM 230 CG GLU A 15 16.656 -3.652 -20.707 1.00 44.32 C ATOM 231 CD GLU A 15 17.920 -3.837 -21.525 1.00 1.13 C ATOM 232 OE1 GLU A 15 18.151 -3.033 -22.452 1.00 33.10 O ATOM 233 OE2 GLU A 15 18.679 -4.786 -21.236 1.00 74.34 O ATOM 0 H GLU A 15 16.079 -3.794 -18.104 1.00 51.24 H new ATOM 0 HA GLU A 15 15.338 -1.085 -18.771 1.00 12.21 H new ATOM 0 HB2 GLU A 15 16.580 -1.516 -20.803 1.00 74.13 H new ATOM 0 HB3 GLU A 15 17.492 -2.141 -19.444 1.00 74.13 H new ATOM 0 HG2 GLU A 15 16.603 -4.431 -19.946 1.00 44.32 H new ATOM 0 HG3 GLU A 15 15.787 -3.778 -21.353 1.00 44.32 H new ATOM 240 N CYS A 16 13.369 -1.314 -20.255 1.00 11.40 N ATOM 241 CA CYS A 16 12.128 -1.432 -21.012 1.00 4.23 C ATOM 242 C CYS A 16 12.364 -1.143 -22.492 1.00 24.45 C ATOM 243 O CYS A 16 13.505 -1.081 -22.948 1.00 51.35 O ATOM 244 CB CYS A 16 11.074 -0.473 -20.456 1.00 10.32 C ATOM 245 SG CYS A 16 9.459 -1.251 -20.130 1.00 3.41 S ATOM 0 H CYS A 16 13.622 -0.357 -20.007 1.00 11.40 H new ATOM 0 HA CYS A 16 11.767 -2.456 -20.913 1.00 4.23 H new ATOM 0 HB2 CYS A 16 11.448 -0.036 -19.530 1.00 10.32 H new ATOM 0 HB3 CYS A 16 10.935 0.346 -21.162 1.00 10.32 H new ATOM 250 N GLY A 17 11.276 -0.968 -23.236 1.00 24.43 N ATOM 251 CA GLY A 17 11.386 -0.689 -24.655 1.00 52.35 C ATOM 252 C GLY A 17 11.268 -1.940 -25.504 1.00 1.54 C ATOM 253 O GLY A 17 10.989 -1.862 -26.700 1.00 54.23 O ATOM 0 H GLY A 17 10.321 -1.015 -22.881 1.00 24.43 H new ATOM 0 HA2 GLY A 17 10.608 0.017 -24.944 1.00 52.35 H new ATOM 0 HA3 GLY A 17 12.343 -0.208 -24.854 1.00 52.35 H new ATOM 257 N ILE A 18 11.483 -3.095 -24.884 1.00 21.01 N ATOM 258 CA ILE A 18 11.400 -4.367 -25.590 1.00 60.24 C ATOM 259 C ILE A 18 9.980 -4.633 -26.079 1.00 21.13 C ATOM 260 O ILE A 18 9.708 -4.603 -27.279 1.00 41.25 O ATOM 261 CB ILE A 18 11.851 -5.538 -24.697 1.00 42.21 C ATOM 262 CG1 ILE A 18 13.289 -5.321 -24.222 1.00 44.41 C ATOM 263 CG2 ILE A 18 11.729 -6.855 -25.448 1.00 70.13 C ATOM 264 CD1 ILE A 18 13.478 -5.555 -22.740 1.00 22.42 C ATOM 0 H ILE A 18 11.716 -3.176 -23.894 1.00 21.01 H new ATOM 0 HA ILE A 18 12.070 -4.296 -26.447 1.00 60.24 H new ATOM 0 HB ILE A 18 11.201 -5.580 -23.823 1.00 42.21 H new ATOM 0 HG12 ILE A 18 13.950 -5.989 -24.774 1.00 44.41 H new ATOM 0 HG13 ILE A 18 13.592 -4.302 -24.462 1.00 44.41 H new ATOM 0 HG21 ILE A 18 12.051 -7.673 -24.803 1.00 70.13 H new ATOM 0 HG22 ILE A 18 10.691 -7.012 -25.741 1.00 70.13 H new ATOM 0 HG23 ILE A 18 12.357 -6.826 -26.338 1.00 70.13 H new ATOM 0 HD11 ILE A 18 14.521 -5.383 -22.475 1.00 22.42 H new ATOM 0 HD12 ILE A 18 12.843 -4.869 -22.179 1.00 22.42 H new ATOM 0 HD13 ILE A 18 13.206 -6.582 -22.496 1.00 22.42 H new ATOM 276 N THR A 19 9.076 -4.892 -25.139 1.00 73.43 N ATOM 277 CA THR A 19 7.683 -5.163 -25.473 1.00 41.10 C ATOM 278 C THR A 19 6.770 -4.053 -24.964 1.00 62.21 C ATOM 279 O THR A 19 5.649 -3.892 -25.444 1.00 14.40 O ATOM 280 CB THR A 19 7.215 -6.507 -24.884 1.00 63.35 C ATOM 281 OG1 THR A 19 8.332 -7.391 -24.733 1.00 52.14 O ATOM 282 CG2 THR A 19 6.168 -7.154 -25.778 1.00 14.10 C ATOM 0 H THR A 19 9.284 -4.920 -24.141 1.00 73.43 H new ATOM 0 HA THR A 19 7.622 -5.210 -26.560 1.00 41.10 H new ATOM 0 HB THR A 19 6.769 -6.315 -23.908 1.00 63.35 H new ATOM 0 HG1 THR A 19 8.027 -8.243 -24.356 1.00 52.14 H new ATOM 0 HG21 THR A 19 5.853 -8.102 -25.342 1.00 14.10 H new ATOM 0 HG22 THR A 19 5.307 -6.492 -25.868 1.00 14.10 H new ATOM 0 HG23 THR A 19 6.593 -7.333 -26.766 1.00 14.10 H new ATOM 290 N GLN A 20 7.259 -3.291 -23.991 1.00 33.22 N ATOM 291 CA GLN A 20 6.485 -2.196 -23.417 1.00 62.24 C ATOM 292 C GLN A 20 5.231 -2.720 -22.726 1.00 14.40 C ATOM 293 O GLN A 20 4.123 -2.592 -23.248 1.00 40.31 O ATOM 294 CB GLN A 20 6.101 -1.191 -24.505 1.00 30.13 C ATOM 295 CG GLN A 20 5.870 0.216 -23.978 1.00 53.01 C ATOM 296 CD GLN A 20 4.962 1.033 -24.876 1.00 44.54 C ATOM 297 OE1 GLN A 20 5.249 1.225 -26.058 1.00 40.34 O ATOM 298 NE2 GLN A 20 3.860 1.520 -24.319 1.00 52.41 N ATOM 0 H GLN A 20 8.186 -3.411 -23.584 1.00 33.22 H new ATOM 0 HA GLN A 20 7.105 -1.696 -22.673 1.00 62.24 H new ATOM 0 HB2 GLN A 20 6.889 -1.164 -25.257 1.00 30.13 H new ATOM 0 HB3 GLN A 20 5.196 -1.536 -25.004 1.00 30.13 H new ATOM 0 HG2 GLN A 20 5.433 0.159 -22.981 1.00 53.01 H new ATOM 0 HG3 GLN A 20 6.829 0.724 -23.878 1.00 53.01 H new ATOM 0 HE21 GLN A 20 3.662 1.336 -23.336 1.00 52.41 H new ATOM 0 HE22 GLN A 20 3.212 2.078 -24.874 1.00 52.41 H new ATOM 307 N ASP A 21 5.412 -3.309 -21.550 1.00 30.25 N ATOM 308 CA ASP A 21 4.294 -3.852 -20.786 1.00 4.33 C ATOM 309 C ASP A 21 4.543 -3.715 -19.287 1.00 1.31 C ATOM 310 O ASP A 21 4.156 -4.580 -18.501 1.00 1.02 O ATOM 311 CB ASP A 21 4.068 -5.321 -21.146 1.00 4.04 C ATOM 312 CG ASP A 21 5.115 -6.234 -20.537 1.00 13.30 C ATOM 313 OD1 ASP A 21 6.238 -5.756 -20.272 1.00 50.34 O ATOM 314 OD2 ASP A 21 4.810 -7.426 -20.324 1.00 42.33 O ATOM 0 H ASP A 21 6.322 -3.423 -21.104 1.00 30.25 H new ATOM 0 HA ASP A 21 3.401 -3.282 -21.041 1.00 4.33 H new ATOM 0 HB2 ASP A 21 3.079 -5.628 -20.804 1.00 4.04 H new ATOM 0 HB3 ASP A 21 4.079 -5.432 -22.230 1.00 4.04 H new ATOM 319 N CYS A 22 5.192 -2.623 -18.897 1.00 43.35 N ATOM 320 CA CYS A 22 5.495 -2.372 -17.494 1.00 32.15 C ATOM 321 C CYS A 22 4.240 -2.503 -16.635 1.00 21.41 C ATOM 322 O CYS A 22 4.217 -3.258 -15.664 1.00 35.13 O ATOM 323 CB CYS A 22 6.100 -0.978 -17.322 1.00 2.44 C ATOM 324 SG CYS A 22 7.533 -0.922 -16.198 1.00 61.31 S ATOM 0 H CYS A 22 5.518 -1.897 -19.535 1.00 43.35 H new ATOM 0 HA CYS A 22 6.219 -3.118 -17.166 1.00 32.15 H new ATOM 0 HB2 CYS A 22 6.404 -0.602 -18.299 1.00 2.44 H new ATOM 0 HB3 CYS A 22 5.331 -0.304 -16.946 1.00 2.44 H new ATOM 329 N ASN A 23 3.199 -1.763 -17.001 1.00 40.23 N ATOM 330 CA ASN A 23 1.941 -1.796 -16.265 1.00 14.11 C ATOM 331 C ASN A 23 1.464 -3.232 -16.067 1.00 10.44 C ATOM 332 O ASN A 23 0.941 -3.584 -15.009 1.00 51.40 O ATOM 333 CB ASN A 23 0.871 -0.989 -17.005 1.00 24.34 C ATOM 334 CG ASN A 23 -0.085 -0.292 -16.057 1.00 51.51 C ATOM 335 OD1 ASN A 23 -0.589 -1.030 -15.075 1.00 71.52 O flip ATOM 336 ND2 ASN A 23 -0.367 0.898 -16.206 1.00 71.23 N flip ATOM 0 H ASN A 23 3.202 -1.133 -17.803 1.00 40.23 H new ATOM 0 HA ASN A 23 2.111 -1.349 -15.285 1.00 14.11 H new ATOM 0 HB2 ASN A 23 1.354 -0.247 -17.640 1.00 24.34 H new ATOM 0 HB3 ASN A 23 0.308 -1.653 -17.661 1.00 24.34 H new ATOM 0 HD21 ASN A 23 0.044 1.427 -16.975 1.00 71.23 H new ATOM 0 HD22 ASN A 23 -1.011 1.354 -15.560 1.00 71.23 H new ATOM 343 N LYS A 24 1.649 -4.057 -17.091 1.00 32.30 N ATOM 344 CA LYS A 24 1.240 -5.456 -17.030 1.00 43.35 C ATOM 345 C LYS A 24 2.055 -6.216 -15.989 1.00 12.13 C ATOM 346 O LYS A 24 1.498 -6.906 -15.133 1.00 44.32 O ATOM 347 CB LYS A 24 1.403 -6.116 -18.402 1.00 1.34 C ATOM 348 CG LYS A 24 0.384 -7.208 -18.676 1.00 22.35 C ATOM 349 CD LYS A 24 -0.970 -6.628 -19.047 1.00 1.42 C ATOM 350 CE LYS A 24 -1.967 -7.720 -19.401 1.00 62.43 C ATOM 351 NZ LYS A 24 -2.616 -8.294 -18.190 1.00 5.44 N ATOM 0 H LYS A 24 2.080 -3.782 -17.974 1.00 32.30 H new ATOM 0 HA LYS A 24 0.190 -5.490 -16.739 1.00 43.35 H new ATOM 0 HB2 LYS A 24 1.321 -5.352 -19.175 1.00 1.34 H new ATOM 0 HB3 LYS A 24 2.405 -6.539 -18.476 1.00 1.34 H new ATOM 0 HG2 LYS A 24 0.741 -7.846 -19.485 1.00 22.35 H new ATOM 0 HG3 LYS A 24 0.281 -7.840 -17.794 1.00 22.35 H new ATOM 0 HD2 LYS A 24 -1.355 -6.039 -18.215 1.00 1.42 H new ATOM 0 HD3 LYS A 24 -0.857 -5.949 -19.892 1.00 1.42 H new ATOM 0 HE2 LYS A 24 -2.731 -7.313 -20.064 1.00 62.43 H new ATOM 0 HE3 LYS A 24 -1.458 -8.512 -19.950 1.00 62.43 H new ATOM 0 HZ1 LYS A 24 -3.288 -9.035 -18.475 1.00 5.44 H new ATOM 0 HZ2 LYS A 24 -1.890 -8.705 -17.569 1.00 5.44 H new ATOM 0 HZ3 LYS A 24 -3.124 -7.543 -17.679 1.00 5.44 H new ATOM 365 N LEU A 25 3.374 -6.085 -16.065 1.00 44.41 N ATOM 366 CA LEU A 25 4.266 -6.758 -15.127 1.00 60.13 C ATOM 367 C LEU A 25 3.908 -6.406 -13.687 1.00 33.30 C ATOM 368 O LEU A 25 3.799 -7.284 -12.831 1.00 30.54 O ATOM 369 CB LEU A 25 5.720 -6.376 -15.411 1.00 72.21 C ATOM 370 CG LEU A 25 6.779 -7.105 -14.584 1.00 21.40 C ATOM 371 CD1 LEU A 25 7.012 -8.505 -15.130 1.00 62.51 C ATOM 372 CD2 LEU A 25 8.079 -6.315 -14.566 1.00 1.31 C ATOM 0 H LEU A 25 3.850 -5.519 -16.767 1.00 44.41 H new ATOM 0 HA LEU A 25 4.147 -7.833 -15.259 1.00 60.13 H new ATOM 0 HB2 LEU A 25 5.923 -6.558 -16.466 1.00 72.21 H new ATOM 0 HB3 LEU A 25 5.832 -5.305 -15.245 1.00 72.21 H new ATOM 0 HG LEU A 25 6.416 -7.192 -13.560 1.00 21.40 H new ATOM 0 HD11 LEU A 25 7.769 -9.009 -14.529 1.00 62.51 H new ATOM 0 HD12 LEU A 25 6.081 -9.071 -15.090 1.00 62.51 H new ATOM 0 HD13 LEU A 25 7.353 -8.440 -16.163 1.00 62.51 H new ATOM 0 HD21 LEU A 25 8.821 -6.849 -13.973 1.00 1.31 H new ATOM 0 HD22 LEU A 25 8.447 -6.196 -15.585 1.00 1.31 H new ATOM 0 HD23 LEU A 25 7.902 -5.333 -14.127 1.00 1.31 H new ATOM 384 N CYS A 26 3.723 -5.116 -13.427 1.00 23.31 N ATOM 385 CA CYS A 26 3.375 -4.647 -12.091 1.00 62.22 C ATOM 386 C CYS A 26 2.064 -5.270 -11.620 1.00 63.42 C ATOM 387 O CYS A 26 2.016 -5.934 -10.584 1.00 14.44 O ATOM 388 CB CYS A 26 3.261 -3.122 -12.077 1.00 43.53 C ATOM 389 SG CYS A 26 4.707 -2.262 -12.776 1.00 41.45 S ATOM 0 H CYS A 26 3.808 -4.377 -14.124 1.00 23.31 H new ATOM 0 HA CYS A 26 4.168 -4.952 -11.408 1.00 62.22 H new ATOM 0 HB2 CYS A 26 2.372 -2.830 -12.636 1.00 43.53 H new ATOM 0 HB3 CYS A 26 3.115 -2.789 -11.050 1.00 43.53 H new ATOM 394 N THR A 27 1.002 -5.053 -12.389 1.00 50.24 N ATOM 395 CA THR A 27 -0.309 -5.591 -12.052 1.00 34.54 C ATOM 396 C THR A 27 -0.233 -7.087 -11.765 1.00 45.24 C ATOM 397 O THR A 27 -0.678 -7.550 -10.716 1.00 75.34 O ATOM 398 CB THR A 27 -1.325 -5.349 -13.184 1.00 11.42 C ATOM 399 OG1 THR A 27 -0.877 -5.981 -14.388 1.00 11.11 O ATOM 400 CG2 THR A 27 -1.517 -3.859 -13.428 1.00 73.52 C ATOM 0 H THR A 27 1.025 -4.508 -13.251 1.00 50.24 H new ATOM 0 HA THR A 27 -0.643 -5.068 -11.156 1.00 34.54 H new ATOM 0 HB THR A 27 -2.281 -5.778 -12.883 1.00 11.42 H new ATOM 0 HG1 THR A 27 0.099 -5.918 -14.447 1.00 11.11 H new ATOM 0 HG21 THR A 27 -2.239 -3.712 -14.232 1.00 73.52 H new ATOM 0 HG22 THR A 27 -1.886 -3.386 -12.518 1.00 73.52 H new ATOM 0 HG23 THR A 27 -0.564 -3.411 -13.709 1.00 73.52 H new ATOM 408 N GLU A 28 0.336 -7.836 -12.705 1.00 24.04 N ATOM 409 CA GLU A 28 0.471 -9.280 -12.552 1.00 11.14 C ATOM 410 C GLU A 28 1.177 -9.625 -11.243 1.00 53.14 C ATOM 411 O GLU A 28 0.773 -10.543 -10.531 1.00 74.24 O ATOM 412 CB GLU A 28 1.245 -9.870 -13.732 1.00 74.43 C ATOM 413 CG GLU A 28 0.412 -10.794 -14.605 1.00 34.32 C ATOM 414 CD GLU A 28 0.156 -12.139 -13.953 1.00 31.14 C ATOM 415 OE1 GLU A 28 0.831 -12.449 -12.948 1.00 51.43 O ATOM 416 OE2 GLU A 28 -0.718 -12.882 -14.446 1.00 12.20 O ATOM 0 H GLU A 28 0.710 -7.467 -13.579 1.00 24.04 H new ATOM 0 HA GLU A 28 -0.529 -9.712 -12.530 1.00 11.14 H new ATOM 0 HB2 GLU A 28 1.632 -9.056 -14.345 1.00 74.43 H new ATOM 0 HB3 GLU A 28 2.106 -10.421 -13.352 1.00 74.43 H new ATOM 0 HG2 GLU A 28 -0.541 -10.315 -14.828 1.00 34.32 H new ATOM 0 HG3 GLU A 28 0.922 -10.947 -15.556 1.00 34.32 H new ATOM 423 N ASN A 29 2.234 -8.882 -10.935 1.00 3.45 N ATOM 424 CA ASN A 29 2.998 -9.109 -9.713 1.00 11.11 C ATOM 425 C ASN A 29 2.162 -8.781 -8.480 1.00 13.33 C ATOM 426 O ASN A 29 2.436 -9.267 -7.383 1.00 40.34 O ATOM 427 CB ASN A 29 4.273 -8.263 -9.719 1.00 14.34 C ATOM 428 CG ASN A 29 5.488 -9.052 -10.164 1.00 45.11 C ATOM 429 OD1 ASN A 29 6.184 -9.655 -9.347 1.00 63.10 O ATOM 430 ND2 ASN A 29 5.750 -9.051 -11.466 1.00 51.20 N ATOM 0 H ASN A 29 2.582 -8.118 -11.514 1.00 3.45 H new ATOM 0 HA ASN A 29 3.270 -10.164 -9.675 1.00 11.11 H new ATOM 0 HB2 ASN A 29 4.136 -7.408 -10.381 1.00 14.34 H new ATOM 0 HB3 ASN A 29 4.447 -7.866 -8.719 1.00 14.34 H new ATOM 0 HD21 ASN A 29 6.555 -9.564 -11.825 1.00 51.20 H new ATOM 0 HD22 ASN A 29 5.146 -8.537 -12.107 1.00 51.20 H new ATOM 437 N GLY A 30 1.139 -7.952 -8.668 1.00 72.22 N ATOM 438 CA GLY A 30 0.278 -7.573 -7.563 1.00 73.41 C ATOM 439 C GLY A 30 0.377 -6.098 -7.230 1.00 53.14 C ATOM 440 O GLY A 30 0.044 -5.681 -6.121 1.00 60.24 O ATOM 0 H GLY A 30 0.892 -7.536 -9.566 1.00 72.22 H new ATOM 0 HA2 GLY A 30 -0.755 -7.818 -7.811 1.00 73.41 H new ATOM 0 HA3 GLY A 30 0.542 -8.159 -6.683 1.00 73.41 H new ATOM 444 N ALA A 31 0.837 -5.305 -8.193 1.00 20.41 N ATOM 445 CA ALA A 31 0.979 -3.868 -7.997 1.00 33.14 C ATOM 446 C ALA A 31 -0.248 -3.121 -8.508 1.00 14.34 C ATOM 447 O ALA A 31 -1.232 -3.734 -8.920 1.00 13.03 O ATOM 448 CB ALA A 31 2.234 -3.362 -8.691 1.00 4.23 C ATOM 0 H ALA A 31 1.118 -5.634 -9.117 1.00 20.41 H new ATOM 0 HA ALA A 31 1.068 -3.679 -6.927 1.00 33.14 H new ATOM 0 HB1 ALA A 31 2.327 -2.287 -8.536 1.00 4.23 H new ATOM 0 HB2 ALA A 31 3.107 -3.865 -8.276 1.00 4.23 H new ATOM 0 HB3 ALA A 31 2.168 -3.570 -9.759 1.00 4.23 H new ATOM 454 N GLU A 32 -0.183 -1.793 -8.477 1.00 25.32 N ATOM 455 CA GLU A 32 -1.290 -0.963 -8.936 1.00 31.31 C ATOM 456 C GLU A 32 -1.139 -0.625 -10.416 1.00 52.12 C ATOM 457 O GLU A 32 -1.974 -1.002 -11.238 1.00 51.03 O ATOM 458 CB GLU A 32 -1.367 0.324 -8.112 1.00 53.15 C ATOM 459 CG GLU A 32 -2.686 1.063 -8.261 1.00 53.41 C ATOM 460 CD GLU A 32 -2.650 2.105 -9.362 1.00 53.42 C ATOM 461 OE1 GLU A 32 -1.923 3.109 -9.205 1.00 72.31 O ATOM 462 OE2 GLU A 32 -3.349 1.918 -10.380 1.00 44.12 O ATOM 0 H GLU A 32 0.625 -1.270 -8.139 1.00 25.32 H new ATOM 0 HA GLU A 32 -2.213 -1.527 -8.803 1.00 31.31 H new ATOM 0 HB2 GLU A 32 -1.212 0.082 -7.060 1.00 53.15 H new ATOM 0 HB3 GLU A 32 -0.554 0.986 -8.410 1.00 53.15 H new ATOM 0 HG2 GLU A 32 -3.479 0.345 -8.471 1.00 53.41 H new ATOM 0 HG3 GLU A 32 -2.936 1.546 -7.317 1.00 53.41 H new ATOM 469 N SER A 33 -0.068 0.089 -10.748 1.00 14.33 N ATOM 470 CA SER A 33 0.191 0.483 -12.128 1.00 34.03 C ATOM 471 C SER A 33 1.688 0.491 -12.418 1.00 44.43 C ATOM 472 O SER A 33 2.484 -0.048 -11.651 1.00 21.04 O ATOM 473 CB SER A 33 -0.402 1.866 -12.406 1.00 31.33 C ATOM 474 OG SER A 33 -1.173 1.860 -13.595 1.00 0.52 O ATOM 0 H SER A 33 0.634 0.406 -10.080 1.00 14.33 H new ATOM 0 HA SER A 33 -0.285 -0.246 -12.784 1.00 34.03 H new ATOM 0 HB2 SER A 33 -1.025 2.174 -11.566 1.00 31.33 H new ATOM 0 HB3 SER A 33 0.400 2.599 -12.493 1.00 31.33 H new ATOM 0 HG SER A 33 -1.542 2.754 -13.750 1.00 0.52 H new ATOM 480 N GLY A 34 2.065 1.108 -13.534 1.00 40.52 N ATOM 481 CA GLY A 34 3.466 1.176 -13.908 1.00 13.21 C ATOM 482 C GLY A 34 3.660 1.558 -15.362 1.00 21.30 C ATOM 483 O GLY A 34 2.735 1.452 -16.168 1.00 22.52 O ATOM 0 H GLY A 34 1.425 1.562 -14.186 1.00 40.52 H new ATOM 0 HA2 GLY A 34 3.973 1.903 -13.274 1.00 13.21 H new ATOM 0 HA3 GLY A 34 3.935 0.210 -13.724 1.00 13.21 H new ATOM 487 N TYR A 35 4.865 2.005 -15.699 1.00 32.44 N ATOM 488 CA TYR A 35 5.176 2.407 -17.065 1.00 3.52 C ATOM 489 C TYR A 35 6.675 2.310 -17.333 1.00 50.22 C ATOM 490 O TYR A 35 7.475 2.164 -16.409 1.00 23.12 O ATOM 491 CB TYR A 35 4.693 3.836 -17.320 1.00 72.04 C ATOM 492 CG TYR A 35 4.897 4.764 -16.144 1.00 73.11 C ATOM 493 CD1 TYR A 35 6.160 4.957 -15.597 1.00 74.33 C ATOM 494 CD2 TYR A 35 3.827 5.447 -15.579 1.00 20.21 C ATOM 495 CE1 TYR A 35 6.351 5.803 -14.522 1.00 73.11 C ATOM 496 CE2 TYR A 35 4.009 6.296 -14.505 1.00 1.03 C ATOM 497 CZ TYR A 35 5.273 6.471 -13.980 1.00 34.42 C ATOM 498 OH TYR A 35 5.458 7.315 -12.909 1.00 32.42 O ATOM 0 H TYR A 35 5.642 2.098 -15.045 1.00 32.44 H new ATOM 0 HA TYR A 35 4.659 1.729 -17.744 1.00 3.52 H new ATOM 0 HB2 TYR A 35 5.219 4.239 -18.185 1.00 72.04 H new ATOM 0 HB3 TYR A 35 3.633 3.812 -17.574 1.00 72.04 H new ATOM 0 HD1 TYR A 35 7.007 4.437 -16.020 1.00 74.33 H new ATOM 0 HD2 TYR A 35 2.836 5.312 -15.987 1.00 20.21 H new ATOM 0 HE1 TYR A 35 7.339 5.941 -14.108 1.00 73.11 H new ATOM 0 HE2 TYR A 35 3.167 6.820 -14.078 1.00 1.03 H new ATOM 0 HH TYR A 35 5.911 6.832 -12.186 1.00 32.42 H new ATOM 508 N CYS A 36 7.048 2.393 -18.606 1.00 0.11 N ATOM 509 CA CYS A 36 8.450 2.315 -18.999 1.00 73.01 C ATOM 510 C CYS A 36 9.108 3.691 -18.944 1.00 33.33 C ATOM 511 O CYS A 36 8.751 4.590 -19.704 1.00 3.50 O ATOM 512 CB CYS A 36 8.574 1.735 -20.409 1.00 71.52 C ATOM 513 SG CYS A 36 7.994 0.014 -20.559 1.00 14.22 S ATOM 0 H CYS A 36 6.399 2.514 -19.383 1.00 0.11 H new ATOM 0 HA CYS A 36 8.962 1.658 -18.296 1.00 73.01 H new ATOM 0 HB2 CYS A 36 8.006 2.360 -21.099 1.00 71.52 H new ATOM 0 HB3 CYS A 36 9.618 1.784 -20.720 1.00 71.52 H new ATOM 518 N GLN A 37 10.069 3.845 -18.039 1.00 61.30 N ATOM 519 CA GLN A 37 10.776 5.110 -17.884 1.00 42.44 C ATOM 520 C GLN A 37 12.045 5.132 -18.731 1.00 14.30 C ATOM 521 O GLN A 37 13.147 4.936 -18.220 1.00 30.44 O ATOM 522 CB GLN A 37 11.126 5.347 -16.414 1.00 50.22 C ATOM 523 CG GLN A 37 11.245 6.817 -16.046 1.00 52.43 C ATOM 524 CD GLN A 37 9.998 7.608 -16.390 1.00 72.32 C ATOM 525 OE1 GLN A 37 9.935 8.270 -17.426 1.00 73.15 O ATOM 526 NE2 GLN A 37 8.996 7.542 -15.521 1.00 4.34 N ATOM 0 H GLN A 37 10.376 3.109 -17.402 1.00 61.30 H new ATOM 0 HA GLN A 37 10.118 5.909 -18.227 1.00 42.44 H new ATOM 0 HB2 GLN A 37 10.362 4.885 -15.788 1.00 50.22 H new ATOM 0 HB3 GLN A 37 12.068 4.847 -16.188 1.00 50.22 H new ATOM 0 HG2 GLN A 37 11.443 6.905 -14.978 1.00 52.43 H new ATOM 0 HG3 GLN A 37 12.100 7.250 -16.566 1.00 52.43 H new ATOM 0 HE21 GLN A 37 9.091 6.981 -14.675 1.00 4.34 H new ATOM 0 HE22 GLN A 37 8.131 8.052 -15.700 1.00 4.34 H new ATOM 535 N TRP A 38 11.881 5.372 -20.027 1.00 13.12 N ATOM 536 CA TRP A 38 13.013 5.419 -20.945 1.00 4.15 C ATOM 537 C TRP A 38 13.915 6.609 -20.636 1.00 1.12 C ATOM 538 O TRP A 38 15.044 6.686 -21.119 1.00 0.34 O ATOM 539 CB TRP A 38 12.521 5.498 -22.391 1.00 25.23 C ATOM 540 CG TRP A 38 12.630 4.197 -23.127 1.00 31.44 C ATOM 541 CD1 TRP A 38 12.652 2.945 -22.580 1.00 3.30 C ATOM 542 CD2 TRP A 38 12.733 4.019 -24.544 1.00 13.54 C ATOM 543 NE1 TRP A 38 12.763 2.001 -23.572 1.00 32.10 N ATOM 544 CE2 TRP A 38 12.813 2.634 -24.786 1.00 0.15 C ATOM 545 CE3 TRP A 38 12.763 4.896 -25.632 1.00 35.14 C ATOM 546 CZ2 TRP A 38 12.922 2.108 -26.070 1.00 44.21 C ATOM 547 CZ3 TRP A 38 12.871 4.372 -26.906 1.00 4.42 C ATOM 548 CH2 TRP A 38 12.949 2.989 -27.117 1.00 5.33 C ATOM 0 H TRP A 38 10.975 5.537 -20.466 1.00 13.12 H new ATOM 0 HA TRP A 38 13.592 4.505 -20.816 1.00 4.15 H new ATOM 0 HB2 TRP A 38 11.481 5.824 -22.396 1.00 25.23 H new ATOM 0 HB3 TRP A 38 13.096 6.257 -22.922 1.00 25.23 H new ATOM 0 HD1 TRP A 38 12.591 2.729 -21.524 1.00 3.30 H new ATOM 0 HE1 TRP A 38 12.802 0.992 -23.428 1.00 32.10 H new ATOM 0 HE3 TRP A 38 12.703 5.964 -25.480 1.00 35.14 H new ATOM 0 HZ2 TRP A 38 12.983 1.042 -26.234 1.00 44.21 H new ATOM 0 HZ3 TRP A 38 12.896 5.040 -27.754 1.00 4.42 H new ATOM 0 HH2 TRP A 38 13.032 2.611 -28.125 1.00 5.33 H new ATOM 559 N GLY A 39 13.409 7.536 -19.828 1.00 22.14 N ATOM 560 CA GLY A 39 14.183 8.710 -19.469 1.00 23.23 C ATOM 561 C GLY A 39 14.263 8.915 -17.969 1.00 42.30 C ATOM 562 O GLY A 39 13.471 9.661 -17.394 1.00 71.24 O ATOM 0 H GLY A 39 12.477 7.495 -19.416 1.00 22.14 H new ATOM 0 HA2 GLY A 39 15.191 8.615 -19.874 1.00 23.23 H new ATOM 0 HA3 GLY A 39 13.736 9.591 -19.930 1.00 23.23 H new ATOM 566 N GLY A 40 15.223 8.251 -17.332 1.00 73.42 N ATOM 567 CA GLY A 40 15.384 8.376 -15.895 1.00 41.15 C ATOM 568 C GLY A 40 16.838 8.488 -15.483 1.00 44.00 C ATOM 569 O GLY A 40 17.734 8.485 -16.328 1.00 73.12 O ATOM 0 H GLY A 40 15.892 7.629 -17.786 1.00 73.42 H new ATOM 0 HA2 GLY A 40 14.842 9.255 -15.547 1.00 41.15 H new ATOM 0 HA3 GLY A 40 14.936 7.511 -15.406 1.00 41.15 H new ATOM 573 N LYS A 41 17.076 8.589 -14.180 1.00 30.14 N ATOM 574 CA LYS A 41 18.432 8.703 -13.655 1.00 54.11 C ATOM 575 C LYS A 41 19.294 7.533 -14.118 1.00 4.42 C ATOM 576 O LYS A 41 20.462 7.711 -14.467 1.00 73.51 O ATOM 577 CB LYS A 41 18.406 8.758 -12.126 1.00 11.11 C ATOM 578 CG LYS A 41 19.318 9.822 -11.540 1.00 62.21 C ATOM 579 CD LYS A 41 20.562 9.209 -10.918 1.00 72.12 C ATOM 580 CE LYS A 41 21.415 10.261 -10.226 1.00 61.21 C ATOM 581 NZ LYS A 41 22.865 10.071 -10.507 1.00 42.41 N ATOM 0 H LYS A 41 16.347 8.594 -13.467 1.00 30.14 H new ATOM 0 HA LYS A 41 18.867 9.626 -14.038 1.00 54.11 H new ATOM 0 HB2 LYS A 41 17.384 8.945 -11.795 1.00 11.11 H new ATOM 0 HB3 LYS A 41 18.696 7.785 -11.731 1.00 11.11 H new ATOM 0 HG2 LYS A 41 19.609 10.524 -12.322 1.00 62.21 H new ATOM 0 HG3 LYS A 41 18.776 10.392 -10.785 1.00 62.21 H new ATOM 0 HD2 LYS A 41 20.271 8.444 -10.198 1.00 72.12 H new ATOM 0 HD3 LYS A 41 21.150 8.713 -11.690 1.00 72.12 H new ATOM 0 HE2 LYS A 41 21.108 11.253 -10.557 1.00 61.21 H new ATOM 0 HE3 LYS A 41 21.245 10.217 -9.150 1.00 61.21 H new ATOM 0 HZ1 LYS A 41 23.413 10.807 -10.018 1.00 42.41 H new ATOM 0 HZ2 LYS A 41 23.164 9.134 -10.168 1.00 42.41 H new ATOM 0 HZ3 LYS A 41 23.032 10.138 -11.531 1.00 42.41 H new ATOM 595 N TYR A 42 18.712 6.339 -14.119 1.00 44.31 N ATOM 596 CA TYR A 42 19.429 5.140 -14.538 1.00 53.52 C ATOM 597 C TYR A 42 19.165 4.835 -16.010 1.00 22.25 C ATOM 598 O TYR A 42 19.254 3.687 -16.443 1.00 21.24 O ATOM 599 CB TYR A 42 19.016 3.947 -13.676 1.00 33.51 C ATOM 600 CG TYR A 42 19.409 4.084 -12.223 1.00 5.24 C ATOM 601 CD1 TYR A 42 20.716 3.854 -11.811 1.00 63.54 C ATOM 602 CD2 TYR A 42 18.474 4.446 -11.261 1.00 3.14 C ATOM 603 CE1 TYR A 42 21.080 3.977 -10.485 1.00 2.44 C ATOM 604 CE2 TYR A 42 18.830 4.574 -9.932 1.00 35.14 C ATOM 605 CZ TYR A 42 20.133 4.338 -9.549 1.00 24.04 C ATOM 606 OH TYR A 42 20.492 4.464 -8.226 1.00 62.21 O ATOM 0 H TYR A 42 17.746 6.175 -13.835 1.00 44.31 H new ATOM 0 HA TYR A 42 20.496 5.321 -14.409 1.00 53.52 H new ATOM 0 HB2 TYR A 42 17.935 3.820 -13.741 1.00 33.51 H new ATOM 0 HB3 TYR A 42 19.468 3.042 -14.082 1.00 33.51 H new ATOM 0 HD1 TYR A 42 21.461 3.574 -12.541 1.00 63.54 H new ATOM 0 HD2 TYR A 42 17.452 4.630 -11.557 1.00 3.14 H new ATOM 0 HE1 TYR A 42 22.100 3.792 -10.182 1.00 2.44 H new ATOM 0 HE2 TYR A 42 18.091 4.858 -9.197 1.00 35.14 H new ATOM 0 HH TYR A 42 19.709 4.725 -7.698 1.00 62.21 H new ATOM 616 N GLY A 43 18.841 5.873 -16.774 1.00 55.21 N ATOM 617 CA GLY A 43 18.569 5.697 -18.189 1.00 23.42 C ATOM 618 C GLY A 43 17.161 5.201 -18.452 1.00 22.23 C ATOM 619 O GLY A 43 16.192 5.770 -17.951 1.00 62.12 O ATOM 0 H GLY A 43 18.762 6.833 -16.439 1.00 55.21 H new ATOM 0 HA2 GLY A 43 18.719 6.645 -18.705 1.00 23.42 H new ATOM 0 HA3 GLY A 43 19.284 4.989 -18.608 1.00 23.42 H new ATOM 623 N ASN A 44 17.048 4.137 -19.241 1.00 13.50 N ATOM 624 CA ASN A 44 15.747 3.566 -19.572 1.00 1.44 C ATOM 625 C ASN A 44 15.405 2.413 -18.633 1.00 13.51 C ATOM 626 O ASN A 44 15.750 1.262 -18.896 1.00 71.00 O ATOM 627 CB ASN A 44 15.735 3.079 -21.022 1.00 34.02 C ATOM 628 CG ASN A 44 16.970 2.271 -21.371 1.00 12.40 C ATOM 629 OD1 ASN A 44 16.966 1.043 -21.288 1.00 52.11 O ATOM 630 ND2 ASN A 44 18.035 2.960 -21.764 1.00 21.12 N ATOM 0 H ASN A 44 17.841 3.653 -19.663 1.00 13.50 H new ATOM 0 HA ASN A 44 14.994 4.345 -19.451 1.00 1.44 H new ATOM 0 HB2 ASN A 44 14.847 2.471 -21.191 1.00 34.02 H new ATOM 0 HB3 ASN A 44 15.665 3.937 -21.690 1.00 34.02 H new ATOM 0 HD21 ASN A 44 18.895 2.472 -22.012 1.00 21.12 H new ATOM 0 HD22 ASN A 44 17.993 3.978 -21.818 1.00 21.12 H new ATOM 637 N ALA A 45 14.723 2.732 -17.537 1.00 42.13 N ATOM 638 CA ALA A 45 14.332 1.723 -16.561 1.00 14.22 C ATOM 639 C ALA A 45 12.814 1.649 -16.426 1.00 44.14 C ATOM 640 O ALA A 45 12.110 2.626 -16.681 1.00 53.25 O ATOM 641 CB ALA A 45 14.969 2.019 -15.211 1.00 41.34 C ATOM 0 H ALA A 45 14.430 3.681 -17.304 1.00 42.13 H new ATOM 0 HA ALA A 45 14.688 0.755 -16.914 1.00 14.22 H new ATOM 0 HB1 ALA A 45 14.668 1.257 -14.492 1.00 41.34 H new ATOM 0 HB2 ALA A 45 16.054 2.014 -15.312 1.00 41.34 H new ATOM 0 HB3 ALA A 45 14.641 2.998 -14.861 1.00 41.34 H new ATOM 647 N CYS A 46 12.317 0.484 -16.025 1.00 11.21 N ATOM 648 CA CYS A 46 10.883 0.282 -15.858 1.00 31.55 C ATOM 649 C CYS A 46 10.425 0.747 -14.478 1.00 61.03 C ATOM 650 O CYS A 46 10.964 0.320 -13.457 1.00 44.04 O ATOM 651 CB CYS A 46 10.529 -1.194 -16.053 1.00 51.04 C ATOM 652 SG CYS A 46 9.162 -1.482 -17.223 1.00 0.23 S ATOM 0 H CYS A 46 12.886 -0.335 -15.810 1.00 11.21 H new ATOM 0 HA CYS A 46 10.367 0.876 -16.613 1.00 31.55 H new ATOM 0 HB2 CYS A 46 11.413 -1.725 -16.406 1.00 51.04 H new ATOM 0 HB3 CYS A 46 10.263 -1.624 -15.087 1.00 51.04 H new ATOM 657 N TRP A 47 9.428 1.624 -14.457 1.00 71.32 N ATOM 658 CA TRP A 47 8.897 2.147 -13.203 1.00 41.25 C ATOM 659 C TRP A 47 7.563 1.493 -12.862 1.00 21.33 C ATOM 660 O TRP A 47 6.773 1.169 -13.749 1.00 45.25 O ATOM 661 CB TRP A 47 8.727 3.665 -13.292 1.00 31.30 C ATOM 662 CG TRP A 47 8.083 4.262 -12.078 1.00 11.04 C ATOM 663 CD1 TRP A 47 6.751 4.267 -11.774 1.00 63.45 C ATOM 664 CD2 TRP A 47 8.743 4.943 -11.005 1.00 51.41 C ATOM 665 NE1 TRP A 47 6.544 4.910 -10.578 1.00 73.12 N ATOM 666 CE2 TRP A 47 7.750 5.334 -10.086 1.00 34.54 C ATOM 667 CE3 TRP A 47 10.076 5.260 -10.731 1.00 21.00 C ATOM 668 CZ2 TRP A 47 8.050 6.024 -8.915 1.00 12.43 C ATOM 669 CZ3 TRP A 47 10.372 5.946 -9.569 1.00 23.15 C ATOM 670 CH2 TRP A 47 9.363 6.321 -8.672 1.00 3.44 C ATOM 0 H TRP A 47 8.971 1.988 -15.293 1.00 71.32 H new ATOM 0 HA TRP A 47 9.608 1.913 -12.410 1.00 41.25 H new ATOM 0 HB2 TRP A 47 9.704 4.125 -13.440 1.00 31.30 H new ATOM 0 HB3 TRP A 47 8.126 3.905 -14.169 1.00 31.30 H new ATOM 0 HD1 TRP A 47 5.975 3.830 -12.384 1.00 63.45 H new ATOM 0 HE1 TRP A 47 5.639 5.049 -10.129 1.00 73.12 H new ATOM 0 HE3 TRP A 47 10.861 4.974 -11.415 1.00 21.00 H new ATOM 0 HZ2 TRP A 47 7.274 6.315 -8.223 1.00 12.43 H new ATOM 0 HZ3 TRP A 47 11.399 6.198 -9.348 1.00 23.15 H new ATOM 0 HH2 TRP A 47 9.627 6.855 -7.771 1.00 3.44 H new ATOM 681 N CYS A 48 7.317 1.300 -11.570 1.00 50.32 N ATOM 682 CA CYS A 48 6.078 0.684 -11.111 1.00 2.13 C ATOM 683 C CYS A 48 5.389 1.560 -10.068 1.00 61.22 C ATOM 684 O CYS A 48 6.048 2.222 -9.266 1.00 32.13 O ATOM 685 CB CYS A 48 6.360 -0.701 -10.524 1.00 11.50 C ATOM 686 SG CYS A 48 6.205 -2.062 -11.724 1.00 73.20 S ATOM 0 H CYS A 48 7.960 1.562 -10.822 1.00 50.32 H new ATOM 0 HA CYS A 48 5.413 0.580 -11.969 1.00 2.13 H new ATOM 0 HB2 CYS A 48 7.368 -0.710 -10.109 1.00 11.50 H new ATOM 0 HB3 CYS A 48 5.673 -0.880 -9.697 1.00 11.50 H new ATOM 691 N ILE A 49 4.060 1.557 -10.087 1.00 5.52 N ATOM 692 CA ILE A 49 3.282 2.350 -9.143 1.00 5.12 C ATOM 693 C ILE A 49 2.604 1.461 -8.106 1.00 65.21 C ATOM 694 O ILE A 49 1.771 0.620 -8.443 1.00 32.32 O ATOM 695 CB ILE A 49 2.210 3.190 -9.862 1.00 64.22 C ATOM 696 CG1 ILE A 49 2.870 4.241 -10.757 1.00 3.23 C ATOM 697 CG2 ILE A 49 1.288 3.852 -8.849 1.00 62.32 C ATOM 698 CD1 ILE A 49 3.233 5.515 -10.026 1.00 31.14 C ATOM 0 H ILE A 49 3.500 1.015 -10.745 1.00 5.52 H new ATOM 0 HA ILE A 49 3.981 3.020 -8.643 1.00 5.12 H new ATOM 0 HB ILE A 49 1.612 2.529 -10.490 1.00 64.22 H new ATOM 0 HG12 ILE A 49 3.771 3.816 -11.199 1.00 3.23 H new ATOM 0 HG13 ILE A 49 2.195 4.483 -11.578 1.00 3.23 H new ATOM 0 HG21 ILE A 49 0.536 4.442 -9.373 1.00 62.32 H new ATOM 0 HG22 ILE A 49 0.796 3.086 -8.250 1.00 62.32 H new ATOM 0 HG23 ILE A 49 1.871 4.503 -8.197 1.00 62.32 H new ATOM 0 HD11 ILE A 49 3.696 6.214 -10.722 1.00 31.14 H new ATOM 0 HD12 ILE A 49 2.332 5.963 -9.607 1.00 31.14 H new ATOM 0 HD13 ILE A 49 3.932 5.286 -9.222 1.00 31.14 H new ATOM 710 N LYS A 50 2.966 1.653 -6.842 1.00 44.32 N ATOM 711 CA LYS A 50 2.392 0.872 -5.754 1.00 33.33 C ATOM 712 C LYS A 50 2.703 -0.612 -5.926 1.00 1.44 C ATOM 713 O LYS A 50 1.971 -1.336 -6.602 1.00 44.32 O ATOM 714 CB LYS A 50 0.877 1.082 -5.692 1.00 21.12 C ATOM 715 CG LYS A 50 0.452 2.152 -4.702 1.00 14.42 C ATOM 716 CD LYS A 50 0.242 3.493 -5.386 1.00 74.20 C ATOM 717 CE LYS A 50 -1.226 3.732 -5.705 1.00 12.02 C ATOM 718 NZ LYS A 50 -1.923 4.451 -4.603 1.00 32.05 N ATOM 0 H LYS A 50 3.655 2.344 -6.546 1.00 44.32 H new ATOM 0 HA LYS A 50 2.839 1.213 -4.820 1.00 33.33 H new ATOM 0 HB2 LYS A 50 0.515 1.352 -6.684 1.00 21.12 H new ATOM 0 HB3 LYS A 50 0.399 0.140 -5.424 1.00 21.12 H new ATOM 0 HG2 LYS A 50 -0.470 1.846 -4.208 1.00 14.42 H new ATOM 0 HG3 LYS A 50 1.211 2.253 -3.926 1.00 14.42 H new ATOM 0 HD2 LYS A 50 0.611 4.292 -4.743 1.00 74.20 H new ATOM 0 HD3 LYS A 50 0.826 3.529 -6.306 1.00 74.20 H new ATOM 0 HE2 LYS A 50 -1.308 4.311 -6.625 1.00 12.02 H new ATOM 0 HE3 LYS A 50 -1.719 2.776 -5.884 1.00 12.02 H new ATOM 0 HZ1 LYS A 50 -2.921 4.595 -4.859 1.00 32.05 H new ATOM 0 HZ2 LYS A 50 -1.867 3.887 -3.731 1.00 32.05 H new ATOM 0 HZ3 LYS A 50 -1.469 5.374 -4.449 1.00 32.05 H new ATOM 732 N LEU A 51 3.791 -1.058 -5.309 1.00 23.35 N ATOM 733 CA LEU A 51 4.199 -2.457 -5.392 1.00 54.40 C ATOM 734 C LEU A 51 4.301 -3.078 -4.003 1.00 4.33 C ATOM 735 O LEU A 51 4.731 -2.440 -3.041 1.00 62.21 O ATOM 736 CB LEU A 51 5.541 -2.575 -6.117 1.00 14.04 C ATOM 737 CG LEU A 51 5.632 -3.664 -7.186 1.00 42.01 C ATOM 738 CD1 LEU A 51 6.211 -3.100 -8.474 1.00 43.21 C ATOM 739 CD2 LEU A 51 6.472 -4.831 -6.688 1.00 71.31 C ATOM 0 H LEU A 51 4.407 -0.472 -4.746 1.00 23.35 H new ATOM 0 HA LEU A 51 3.440 -2.999 -5.956 1.00 54.40 H new ATOM 0 HB2 LEU A 51 5.765 -1.616 -6.584 1.00 14.04 H new ATOM 0 HB3 LEU A 51 6.318 -2.757 -5.374 1.00 14.04 H new ATOM 0 HG LEU A 51 4.626 -4.029 -7.393 1.00 42.01 H new ATOM 0 HD11 LEU A 51 6.268 -3.889 -9.223 1.00 43.21 H new ATOM 0 HD12 LEU A 51 5.570 -2.298 -8.840 1.00 43.21 H new ATOM 0 HD13 LEU A 51 7.210 -2.708 -8.283 1.00 43.21 H new ATOM 0 HD21 LEU A 51 6.526 -5.597 -7.462 1.00 71.31 H new ATOM 0 HD22 LEU A 51 7.477 -4.481 -6.453 1.00 71.31 H new ATOM 0 HD23 LEU A 51 6.015 -5.252 -5.792 1.00 71.31 H new ATOM 751 N PRO A 52 3.900 -4.353 -3.893 1.00 51.21 N ATOM 752 CA PRO A 52 3.940 -5.089 -2.626 1.00 72.22 C ATOM 753 C PRO A 52 5.365 -5.397 -2.179 1.00 52.21 C ATOM 754 O PRO A 52 6.272 -5.515 -3.003 1.00 2.41 O ATOM 755 CB PRO A 52 3.188 -6.384 -2.945 1.00 10.04 C ATOM 756 CG PRO A 52 3.343 -6.560 -4.416 1.00 24.23 C ATOM 757 CD PRO A 52 3.376 -5.174 -4.998 1.00 25.04 C ATOM 0 HA PRO A 52 3.503 -4.516 -1.808 1.00 72.22 H new ATOM 0 HB2 PRO A 52 3.606 -7.229 -2.399 1.00 10.04 H new ATOM 0 HB3 PRO A 52 2.137 -6.311 -2.664 1.00 10.04 H new ATOM 0 HG2 PRO A 52 4.259 -7.103 -4.650 1.00 24.23 H new ATOM 0 HG3 PRO A 52 2.516 -7.137 -4.829 1.00 24.23 H new ATOM 0 HD2 PRO A 52 4.019 -5.122 -5.877 1.00 25.04 H new ATOM 0 HD3 PRO A 52 2.384 -4.845 -5.308 1.00 25.04 H new ATOM 765 N ASP A 53 5.554 -5.526 -0.871 1.00 24.33 N ATOM 766 CA ASP A 53 6.870 -5.822 -0.314 1.00 75.13 C ATOM 767 C ASP A 53 7.433 -7.110 -0.906 1.00 73.40 C ATOM 768 O ASP A 53 8.648 -7.288 -0.988 1.00 60.21 O ATOM 769 CB ASP A 53 6.788 -5.939 1.209 1.00 41.44 C ATOM 770 CG ASP A 53 7.909 -5.194 1.907 1.00 63.51 C ATOM 771 OD1 ASP A 53 8.104 -3.998 1.607 1.00 61.34 O ATOM 772 OD2 ASP A 53 8.592 -5.809 2.753 1.00 5.52 O ATOM 0 H ASP A 53 4.814 -5.430 -0.176 1.00 24.33 H new ATOM 0 HA ASP A 53 7.540 -5.002 -0.572 1.00 75.13 H new ATOM 0 HB2 ASP A 53 5.829 -5.549 1.550 1.00 41.44 H new ATOM 0 HB3 ASP A 53 6.823 -6.991 1.492 1.00 41.44 H new ATOM 777 N SER A 54 6.541 -8.007 -1.316 1.00 11.31 N ATOM 778 CA SER A 54 6.949 -9.281 -1.896 1.00 32.14 C ATOM 779 C SER A 54 8.006 -9.073 -2.976 1.00 30.02 C ATOM 780 O SER A 54 8.872 -9.923 -3.185 1.00 40.41 O ATOM 781 CB SER A 54 5.738 -10.009 -2.484 1.00 44.40 C ATOM 782 OG SER A 54 5.394 -11.140 -1.703 1.00 11.31 O ATOM 0 H SER A 54 5.531 -7.875 -1.257 1.00 11.31 H new ATOM 0 HA SER A 54 7.381 -9.891 -1.103 1.00 32.14 H new ATOM 0 HB2 SER A 54 4.889 -9.327 -2.535 1.00 44.40 H new ATOM 0 HB3 SER A 54 5.958 -10.321 -3.505 1.00 44.40 H new ATOM 0 HG SER A 54 4.617 -11.587 -2.099 1.00 11.31 H new ATOM 788 N VAL A 55 7.928 -7.936 -3.660 1.00 2.12 N ATOM 789 CA VAL A 55 8.878 -7.614 -4.718 1.00 50.11 C ATOM 790 C VAL A 55 9.411 -6.194 -4.565 1.00 54.41 C ATOM 791 O VAL A 55 8.884 -5.241 -5.141 1.00 31.14 O ATOM 792 CB VAL A 55 8.238 -7.763 -6.111 1.00 70.11 C ATOM 793 CG1 VAL A 55 9.198 -7.293 -7.193 1.00 61.32 C ATOM 794 CG2 VAL A 55 7.815 -9.205 -6.351 1.00 43.41 C ATOM 0 H VAL A 55 7.217 -7.223 -3.500 1.00 2.12 H new ATOM 0 HA VAL A 55 9.703 -8.320 -4.628 1.00 50.11 H new ATOM 0 HB VAL A 55 7.348 -7.136 -6.152 1.00 70.11 H new ATOM 0 HG11 VAL A 55 8.728 -7.406 -8.170 1.00 61.32 H new ATOM 0 HG12 VAL A 55 9.446 -6.244 -7.029 1.00 61.32 H new ATOM 0 HG13 VAL A 55 10.108 -7.891 -7.157 1.00 61.32 H new ATOM 0 HG21 VAL A 55 7.365 -9.292 -7.340 1.00 43.41 H new ATOM 0 HG22 VAL A 55 8.688 -9.855 -6.291 1.00 43.41 H new ATOM 0 HG23 VAL A 55 7.089 -9.502 -5.594 1.00 43.41 H new ATOM 804 N PRO A 56 10.481 -6.046 -3.771 1.00 3.40 N ATOM 805 CA PRO A 56 11.110 -4.745 -3.524 1.00 41.42 C ATOM 806 C PRO A 56 11.827 -4.204 -4.757 1.00 22.33 C ATOM 807 O PRO A 56 12.534 -4.939 -5.447 1.00 71.30 O ATOM 808 CB PRO A 56 12.115 -5.042 -2.408 1.00 71.14 C ATOM 809 CG PRO A 56 12.424 -6.492 -2.554 1.00 64.11 C ATOM 810 CD PRO A 56 11.161 -7.137 -3.053 1.00 60.12 C ATOM 0 HA PRO A 56 10.377 -3.981 -3.264 1.00 41.42 H new ATOM 0 HB2 PRO A 56 13.013 -4.433 -2.512 1.00 71.14 H new ATOM 0 HB3 PRO A 56 11.693 -4.824 -1.427 1.00 71.14 H new ATOM 0 HG2 PRO A 56 13.244 -6.647 -3.255 1.00 64.11 H new ATOM 0 HG3 PRO A 56 12.732 -6.923 -1.601 1.00 64.11 H new ATOM 0 HD2 PRO A 56 11.373 -7.980 -3.711 1.00 60.12 H new ATOM 0 HD3 PRO A 56 10.553 -7.518 -2.232 1.00 60.12 H new ATOM 818 N ILE A 57 11.641 -2.917 -5.027 1.00 2.43 N ATOM 819 CA ILE A 57 12.272 -2.279 -6.175 1.00 42.43 C ATOM 820 C ILE A 57 13.787 -2.444 -6.132 1.00 45.04 C ATOM 821 O ILE A 57 14.327 -3.082 -5.228 1.00 61.25 O ATOM 822 CB ILE A 57 11.933 -0.778 -6.243 1.00 14.13 C ATOM 823 CG1 ILE A 57 12.242 -0.102 -4.905 1.00 70.22 C ATOM 824 CG2 ILE A 57 10.471 -0.582 -6.616 1.00 13.13 C ATOM 825 CD1 ILE A 57 13.696 0.283 -4.745 1.00 30.01 C ATOM 0 H ILE A 57 11.058 -2.295 -4.466 1.00 2.43 H new ATOM 0 HA ILE A 57 11.880 -2.772 -7.064 1.00 42.43 H new ATOM 0 HB ILE A 57 12.550 -0.316 -7.014 1.00 14.13 H new ATOM 0 HG12 ILE A 57 11.625 0.791 -4.807 1.00 70.22 H new ATOM 0 HG13 ILE A 57 11.961 -0.774 -4.094 1.00 70.22 H new ATOM 0 HG21 ILE A 57 10.246 0.484 -6.660 1.00 13.13 H new ATOM 0 HG22 ILE A 57 10.280 -1.034 -7.589 1.00 13.13 H new ATOM 0 HG23 ILE A 57 9.838 -1.055 -5.866 1.00 13.13 H new ATOM 0 HD11 ILE A 57 13.842 0.757 -3.774 1.00 30.01 H new ATOM 0 HD12 ILE A 57 14.318 -0.610 -4.811 1.00 30.01 H new ATOM 0 HD13 ILE A 57 13.977 0.980 -5.535 1.00 30.01 H new ATOM 837 N ARG A 58 14.469 -1.863 -7.115 1.00 34.32 N ATOM 838 CA ARG A 58 15.922 -1.946 -7.189 1.00 43.31 C ATOM 839 C ARG A 58 16.570 -1.178 -6.040 1.00 52.35 C ATOM 840 O ARG A 58 16.427 0.041 -5.936 1.00 20.42 O ATOM 841 CB ARG A 58 16.418 -1.396 -8.528 1.00 12.42 C ATOM 842 CG ARG A 58 17.502 -2.244 -9.171 1.00 62.32 C ATOM 843 CD ARG A 58 18.853 -2.018 -8.510 1.00 13.30 C ATOM 844 NE ARG A 58 19.934 -2.686 -9.230 1.00 14.03 N ATOM 845 CZ ARG A 58 21.185 -2.743 -8.788 1.00 62.03 C ATOM 846 NH1 ARG A 58 21.512 -2.175 -7.636 1.00 33.03 N ATOM 847 NH2 ARG A 58 22.113 -3.370 -9.500 1.00 41.23 N ATOM 0 H ARG A 58 14.038 -1.330 -7.870 1.00 34.32 H new ATOM 0 HA ARG A 58 16.205 -2.995 -7.107 1.00 43.31 H new ATOM 0 HB2 ARG A 58 15.575 -1.318 -9.214 1.00 12.42 H new ATOM 0 HB3 ARG A 58 16.800 -0.386 -8.377 1.00 12.42 H new ATOM 0 HG2 ARG A 58 17.232 -3.298 -9.098 1.00 62.32 H new ATOM 0 HG3 ARG A 58 17.571 -2.005 -10.232 1.00 62.32 H new ATOM 0 HD2 ARG A 58 19.058 -0.949 -8.460 1.00 13.30 H new ATOM 0 HD3 ARG A 58 18.820 -2.385 -7.484 1.00 13.30 H new ATOM 0 HE ARG A 58 19.716 -3.133 -10.121 1.00 14.03 H new ATOM 0 HH11 ARG A 58 20.802 -1.692 -7.086 1.00 33.03 H new ATOM 0 HH12 ARG A 58 22.474 -2.221 -7.300 1.00 33.03 H new ATOM 0 HH21 ARG A 58 21.866 -3.808 -10.387 1.00 41.23 H new ATOM 0 HH22 ARG A 58 23.074 -3.413 -9.160 1.00 41.23 H new ATOM 861 N VAL A 59 17.282 -1.899 -5.180 1.00 52.13 N ATOM 862 CA VAL A 59 17.952 -1.286 -4.040 1.00 32.04 C ATOM 863 C VAL A 59 19.378 -0.881 -4.393 1.00 3.52 C ATOM 864 O VAL A 59 19.996 -1.424 -5.309 1.00 31.02 O ATOM 865 CB VAL A 59 17.985 -2.239 -2.830 1.00 3.11 C ATOM 866 CG1 VAL A 59 16.590 -2.416 -2.250 1.00 41.53 C ATOM 867 CG2 VAL A 59 18.581 -3.581 -3.226 1.00 71.41 C ATOM 0 H VAL A 59 17.410 -2.908 -5.251 1.00 52.13 H new ATOM 0 HA VAL A 59 17.380 -0.396 -3.777 1.00 32.04 H new ATOM 0 HB VAL A 59 18.618 -1.798 -2.060 1.00 3.11 H new ATOM 0 HG11 VAL A 59 16.634 -3.092 -1.396 1.00 41.53 H new ATOM 0 HG12 VAL A 59 16.205 -1.449 -1.927 1.00 41.53 H new ATOM 0 HG13 VAL A 59 15.930 -2.834 -3.010 1.00 41.53 H new ATOM 0 HG21 VAL A 59 18.597 -4.242 -2.359 1.00 71.41 H new ATOM 0 HG22 VAL A 59 17.976 -4.030 -4.014 1.00 71.41 H new ATOM 0 HG23 VAL A 59 19.598 -3.434 -3.589 1.00 71.41 H new ATOM 877 N PRO A 60 19.917 0.098 -3.650 1.00 34.23 N ATOM 878 CA PRO A 60 21.278 0.598 -3.865 1.00 33.31 C ATOM 879 C PRO A 60 22.339 -0.422 -3.468 1.00 25.13 C ATOM 880 O PRO A 60 22.607 -0.625 -2.284 1.00 72.42 O ATOM 881 CB PRO A 60 21.351 1.828 -2.957 1.00 25.21 C ATOM 882 CG PRO A 60 20.345 1.571 -1.889 1.00 24.04 C ATOM 883 CD PRO A 60 19.238 0.791 -2.542 1.00 21.34 C ATOM 0 HA PRO A 60 21.472 0.815 -4.915 1.00 33.31 H new ATOM 0 HB2 PRO A 60 22.350 1.952 -2.538 1.00 25.21 H new ATOM 0 HB3 PRO A 60 21.120 2.740 -3.507 1.00 25.21 H new ATOM 0 HG2 PRO A 60 20.785 1.009 -1.065 1.00 24.04 H new ATOM 0 HG3 PRO A 60 19.970 2.506 -1.473 1.00 24.04 H new ATOM 0 HD2 PRO A 60 18.779 0.086 -1.848 1.00 21.34 H new ATOM 0 HD3 PRO A 60 18.444 1.445 -2.903 1.00 21.34 H new ATOM 891 N GLY A 61 22.943 -1.061 -4.466 1.00 34.24 N ATOM 892 CA GLY A 61 23.969 -2.052 -4.199 1.00 72.11 C ATOM 893 C GLY A 61 24.445 -2.747 -5.459 1.00 72.23 C ATOM 894 O GLY A 61 24.319 -2.209 -6.560 1.00 24.24 O ATOM 0 H GLY A 61 22.740 -0.910 -5.454 1.00 34.24 H new ATOM 0 HA2 GLY A 61 24.816 -1.571 -3.711 1.00 72.11 H new ATOM 0 HA3 GLY A 61 23.580 -2.795 -3.503 1.00 72.11 H new ATOM 898 N LYS A 62 24.995 -3.946 -5.300 1.00 74.30 N ATOM 899 CA LYS A 62 25.492 -4.717 -6.433 1.00 61.03 C ATOM 900 C LYS A 62 24.427 -5.681 -6.945 1.00 71.32 C ATOM 901 O LYS A 62 23.422 -5.924 -6.276 1.00 72.15 O ATOM 902 CB LYS A 62 26.749 -5.494 -6.036 1.00 4.43 C ATOM 903 CG LYS A 62 27.904 -5.320 -7.007 1.00 2.10 C ATOM 904 CD LYS A 62 29.137 -4.763 -6.314 1.00 73.21 C ATOM 905 CE LYS A 62 29.909 -5.854 -5.588 1.00 72.44 C ATOM 906 NZ LYS A 62 31.204 -5.353 -5.050 1.00 72.44 N ATOM 0 H LYS A 62 25.108 -4.405 -4.396 1.00 74.30 H new ATOM 0 HA LYS A 62 25.741 -4.020 -7.233 1.00 61.03 H new ATOM 0 HB2 LYS A 62 27.067 -5.172 -5.045 1.00 4.43 H new ATOM 0 HB3 LYS A 62 26.503 -6.553 -5.963 1.00 4.43 H new ATOM 0 HG2 LYS A 62 28.145 -6.280 -7.463 1.00 2.10 H new ATOM 0 HG3 LYS A 62 27.605 -4.650 -7.813 1.00 2.10 H new ATOM 0 HD2 LYS A 62 29.785 -4.286 -7.049 1.00 73.21 H new ATOM 0 HD3 LYS A 62 28.839 -3.992 -5.603 1.00 73.21 H new ATOM 0 HE2 LYS A 62 29.303 -6.245 -4.771 1.00 72.44 H new ATOM 0 HE3 LYS A 62 30.096 -6.683 -6.271 1.00 72.44 H new ATOM 0 HZ1 LYS A 62 31.700 -6.126 -4.563 1.00 72.44 H new ATOM 0 HZ2 LYS A 62 31.793 -5.003 -5.833 1.00 72.44 H new ATOM 0 HZ3 LYS A 62 31.025 -4.579 -4.379 1.00 72.44 H new ATOM 920 N CYS A 63 24.654 -6.230 -8.134 1.00 53.52 N ATOM 921 CA CYS A 63 23.715 -7.168 -8.736 1.00 35.43 C ATOM 922 C CYS A 63 24.271 -8.589 -8.705 1.00 34.12 C ATOM 923 O CYS A 63 25.478 -8.796 -8.825 1.00 53.13 O ATOM 924 CB CYS A 63 23.407 -6.761 -10.178 1.00 13.31 C ATOM 925 SG CYS A 63 22.337 -7.935 -11.070 1.00 51.41 S ATOM 0 H CYS A 63 25.481 -6.041 -8.700 1.00 53.52 H new ATOM 0 HA CYS A 63 22.793 -7.144 -8.155 1.00 35.43 H new ATOM 0 HB2 CYS A 63 22.929 -5.781 -10.173 1.00 13.31 H new ATOM 0 HB3 CYS A 63 24.345 -6.655 -10.723 1.00 13.31 H new ATOM 930 N GLN A 64 23.381 -9.563 -8.543 1.00 21.33 N ATOM 931 CA GLN A 64 23.783 -10.964 -8.496 1.00 21.15 C ATOM 932 C GLN A 64 22.784 -11.843 -9.240 1.00 54.34 C ATOM 933 O GLN A 64 21.711 -11.384 -9.635 1.00 33.04 O ATOM 934 CB GLN A 64 23.909 -11.432 -7.045 1.00 2.14 C ATOM 935 CG GLN A 64 25.287 -11.198 -6.447 1.00 44.25 C ATOM 936 CD GLN A 64 25.410 -11.733 -5.034 1.00 72.04 C ATOM 937 OE1 GLN A 64 24.806 -11.201 -4.102 1.00 44.12 O ATOM 938 NE2 GLN A 64 26.194 -12.792 -4.868 1.00 14.00 N ATOM 0 H GLN A 64 22.378 -9.408 -8.442 1.00 21.33 H new ATOM 0 HA GLN A 64 24.753 -11.053 -8.985 1.00 21.15 H new ATOM 0 HB2 GLN A 64 23.166 -10.913 -6.439 1.00 2.14 H new ATOM 0 HB3 GLN A 64 23.676 -12.495 -6.994 1.00 2.14 H new ATOM 0 HG2 GLN A 64 26.038 -11.674 -7.078 1.00 44.25 H new ATOM 0 HG3 GLN A 64 25.502 -10.129 -6.446 1.00 44.25 H new ATOM 0 HE21 GLN A 64 26.676 -13.201 -5.669 1.00 14.00 H new ATOM 0 HE22 GLN A 64 26.315 -13.197 -3.940 1.00 14.00 H new