USER MOD reduce.3.24.130724 H: found=0, std=0, add=381, rem=0, adj=13 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= -26.4! USER MOD Set 1.2: A 40 CYS SG : rot 113:sc= -26.9! USER MOD Set 2.1: A 24 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 26 SER OG : rot 90:sc= 1.26 USER MOD Single : A 1 LEU N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 GLN : amide:sc= -0.0618 K(o=-0.062,f=-2.5!) USER MOD Single : A 4 ASN : amide:sc= -0.443 X(o=-0.44,f=0) USER MOD Single : A 5 THR OG1 : rot -47:sc= 0.986 USER MOD Single : A 10 THR OG1 : rot 180:sc=0.000255 USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 ASN : amide:sc= -0.652 X(o=-0.65,f=-0.7) USER MOD Single : A 23 HIS :FLIP no HD1:sc= -1.65 F(o=-2.4,f=-1.7) USER MOD Single : A 25 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.0835) USER MOD Single : A 31 TYR OH : rot -94:sc= 0.287 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 SER OG : rot 16:sc= 1.19 USER MOD Single : A 37 GLN :FLIP amide:sc= -0.76 F(o=-1.9!,f=-0.76) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 ASN : amide:sc= -0.86 K(o=-0.86,f=-5.3!) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 0.794 -0.203 -0.384 1.00 21.32 N ATOM 2 CA LEU A 1 1.756 -0.157 -1.480 1.00 13.22 C ATOM 3 C LEU A 1 2.465 -1.498 -1.639 1.00 41.30 C ATOM 4 O LEU A 1 2.778 -2.165 -0.654 1.00 31.33 O ATOM 5 CB LEU A 1 2.783 0.951 -1.237 1.00 35.31 C ATOM 6 CG LEU A 1 3.007 1.924 -2.395 1.00 21.41 C ATOM 7 CD1 LEU A 1 3.676 1.217 -3.564 1.00 10.03 C ATOM 8 CD2 LEU A 1 1.689 2.548 -2.830 1.00 62.21 C ATOM 0 H1 LEU A 1 0.324 0.721 -0.295 1.00 21.32 H new ATOM 0 H2 LEU A 1 0.082 -0.936 -0.577 1.00 21.32 H new ATOM 0 H3 LEU A 1 1.289 -0.426 0.503 1.00 21.32 H new ATOM 0 HA LEU A 1 1.212 0.056 -2.400 1.00 13.22 H new ATOM 0 HB2 LEU A 1 2.471 1.523 -0.363 1.00 35.31 H new ATOM 0 HB3 LEU A 1 3.737 0.486 -0.989 1.00 35.31 H new ATOM 0 HG LEU A 1 3.667 2.721 -2.053 1.00 21.41 H new ATOM 0 HD11 LEU A 1 3.828 1.925 -4.379 1.00 10.03 H new ATOM 0 HD12 LEU A 1 4.639 0.819 -3.245 1.00 10.03 H new ATOM 0 HD13 LEU A 1 3.041 0.400 -3.907 1.00 10.03 H new ATOM 0 HD21 LEU A 1 1.868 3.238 -3.655 1.00 62.21 H new ATOM 0 HD22 LEU A 1 1.005 1.764 -3.154 1.00 62.21 H new ATOM 0 HD23 LEU A 1 1.249 3.090 -1.993 1.00 62.21 H new ATOM 20 N GLN A 2 2.717 -1.884 -2.886 1.00 2.43 N ATOM 21 CA GLN A 2 3.391 -3.144 -3.173 1.00 63.20 C ATOM 22 C GLN A 2 4.556 -2.932 -4.135 1.00 10.25 C ATOM 23 O GLN A 2 4.528 -2.027 -4.970 1.00 23.43 O ATOM 24 CB GLN A 2 2.404 -4.152 -3.764 1.00 52.21 C ATOM 25 CG GLN A 2 1.579 -4.881 -2.716 1.00 74.23 C ATOM 26 CD GLN A 2 1.231 -6.298 -3.130 1.00 12.35 C ATOM 27 OE1 GLN A 2 1.328 -7.231 -2.332 1.00 50.01 O ATOM 28 NE2 GLN A 2 0.822 -6.466 -4.382 1.00 3.12 N ATOM 0 H GLN A 2 2.465 -1.342 -3.713 1.00 2.43 H new ATOM 0 HA GLN A 2 3.784 -3.538 -2.236 1.00 63.20 H new ATOM 0 HB2 GLN A 2 1.732 -3.632 -4.447 1.00 52.21 H new ATOM 0 HB3 GLN A 2 2.955 -4.884 -4.355 1.00 52.21 H new ATOM 0 HG2 GLN A 2 2.132 -4.906 -1.777 1.00 74.23 H new ATOM 0 HG3 GLN A 2 0.660 -4.325 -2.530 1.00 74.23 H new ATOM 0 HE21 GLN A 2 0.757 -5.664 -5.009 1.00 3.12 H new ATOM 0 HE22 GLN A 2 0.573 -7.397 -4.717 1.00 3.12 H new ATOM 37 N CYS A 3 5.579 -3.771 -4.011 1.00 41.32 N ATOM 38 CA CYS A 3 6.755 -3.675 -4.868 1.00 74.22 C ATOM 39 C CYS A 3 7.144 -5.047 -5.413 1.00 15.41 C ATOM 40 O CYS A 3 6.963 -6.064 -4.746 1.00 71.51 O ATOM 41 CB CYS A 3 7.928 -3.070 -4.095 1.00 33.04 C ATOM 42 SG CYS A 3 7.468 -1.672 -3.021 1.00 43.33 S ATOM 0 H CYS A 3 5.617 -4.525 -3.325 1.00 41.32 H new ATOM 0 HA CYS A 3 6.509 -3.026 -5.708 1.00 74.22 H new ATOM 0 HB2 CYS A 3 8.387 -3.848 -3.485 1.00 33.04 H new ATOM 0 HB3 CYS A 3 8.684 -2.735 -4.806 1.00 33.04 H new ATOM 47 N ASN A 4 7.679 -5.064 -6.629 1.00 52.13 N ATOM 48 CA ASN A 4 8.093 -6.310 -7.264 1.00 43.43 C ATOM 49 C ASN A 4 9.418 -6.800 -6.687 1.00 51.34 C ATOM 50 O ASN A 4 10.160 -6.036 -6.069 1.00 12.31 O ATOM 51 CB ASN A 4 8.223 -6.117 -8.777 1.00 32.04 C ATOM 52 CG ASN A 4 6.881 -5.897 -9.448 1.00 42.54 C ATOM 53 OD1 ASN A 4 6.347 -6.793 -10.101 1.00 54.01 O ATOM 54 ND2 ASN A 4 6.331 -4.698 -9.291 1.00 72.30 N ATOM 0 H ASN A 4 7.836 -4.230 -7.194 1.00 52.13 H new ATOM 0 HA ASN A 4 7.330 -7.062 -7.065 1.00 43.43 H new ATOM 0 HB2 ASN A 4 8.871 -5.264 -8.978 1.00 32.04 H new ATOM 0 HB3 ASN A 4 8.705 -6.992 -9.212 1.00 32.04 H new ATOM 0 HD21 ASN A 4 5.430 -4.490 -9.721 1.00 72.30 H new ATOM 0 HD22 ASN A 4 6.810 -3.985 -8.741 1.00 72.30 H new ATOM 61 N THR A 5 9.710 -8.080 -6.895 1.00 32.24 N ATOM 62 CA THR A 5 10.944 -8.673 -6.395 1.00 70.14 C ATOM 63 C THR A 5 11.740 -9.319 -7.524 1.00 53.51 C ATOM 64 O THR A 5 11.175 -9.738 -8.535 1.00 34.10 O ATOM 65 CB THR A 5 10.661 -9.731 -5.312 1.00 50.10 C ATOM 66 OG1 THR A 5 10.152 -10.926 -5.915 1.00 40.21 O ATOM 67 CG2 THR A 5 9.662 -9.207 -4.292 1.00 11.44 C ATOM 0 H THR A 5 9.109 -8.726 -7.406 1.00 32.24 H new ATOM 0 HA THR A 5 11.529 -7.864 -5.958 1.00 70.14 H new ATOM 0 HB THR A 5 11.597 -9.954 -4.800 1.00 50.10 H new ATOM 0 HG1 THR A 5 9.448 -10.695 -6.556 1.00 40.21 H new ATOM 0 HG21 THR A 5 9.478 -9.971 -3.537 1.00 11.44 H new ATOM 0 HG22 THR A 5 10.065 -8.314 -3.814 1.00 11.44 H new ATOM 0 HG23 THR A 5 8.726 -8.959 -4.793 1.00 11.44 H new ATOM 75 N LEU A 6 13.054 -9.396 -7.346 1.00 12.01 N ATOM 76 CA LEU A 6 13.928 -9.992 -8.350 1.00 43.12 C ATOM 77 C LEU A 6 13.660 -11.487 -8.487 1.00 64.21 C ATOM 78 O LEU A 6 13.997 -12.098 -9.502 1.00 23.04 O ATOM 79 CB LEU A 6 15.394 -9.756 -7.983 1.00 24.33 C ATOM 80 CG LEU A 6 15.986 -10.705 -6.940 1.00 33.34 C ATOM 81 CD1 LEU A 6 16.606 -11.920 -7.613 1.00 55.33 C ATOM 82 CD2 LEU A 6 17.017 -9.983 -6.085 1.00 51.31 C ATOM 0 H LEU A 6 13.538 -9.053 -6.516 1.00 12.01 H new ATOM 0 HA LEU A 6 13.718 -9.515 -9.308 1.00 43.12 H new ATOM 0 HB2 LEU A 6 15.991 -9.829 -8.892 1.00 24.33 H new ATOM 0 HB3 LEU A 6 15.496 -8.735 -7.615 1.00 24.33 H new ATOM 0 HG LEU A 6 15.180 -11.047 -6.291 1.00 33.34 H new ATOM 0 HD11 LEU A 6 17.022 -12.583 -6.855 1.00 55.33 H new ATOM 0 HD12 LEU A 6 15.842 -12.451 -8.180 1.00 55.33 H new ATOM 0 HD13 LEU A 6 17.399 -11.597 -8.287 1.00 55.33 H new ATOM 0 HD21 LEU A 6 17.427 -10.674 -5.349 1.00 51.31 H new ATOM 0 HD22 LEU A 6 17.821 -9.611 -6.721 1.00 51.31 H new ATOM 0 HD23 LEU A 6 16.543 -9.146 -5.572 1.00 51.31 H new ATOM 94 N ASP A 7 13.051 -12.070 -7.461 1.00 31.12 N ATOM 95 CA ASP A 7 12.734 -13.494 -7.468 1.00 3.44 C ATOM 96 C ASP A 7 11.517 -13.775 -8.342 1.00 73.34 C ATOM 97 O ASP A 7 11.145 -14.929 -8.554 1.00 0.12 O ATOM 98 CB ASP A 7 12.479 -13.988 -6.043 1.00 24.02 C ATOM 99 CG ASP A 7 12.404 -15.500 -5.959 1.00 54.15 C ATOM 100 OD1 ASP A 7 12.987 -16.172 -6.836 1.00 14.14 O ATOM 101 OD2 ASP A 7 11.761 -16.011 -5.019 1.00 34.14 O ATOM 0 H ASP A 7 12.767 -11.579 -6.613 1.00 31.12 H new ATOM 0 HA ASP A 7 13.588 -14.029 -7.883 1.00 3.44 H new ATOM 0 HB2 ASP A 7 13.275 -13.630 -5.390 1.00 24.02 H new ATOM 0 HB3 ASP A 7 11.547 -13.560 -5.675 1.00 24.02 H new ATOM 106 N GLY A 8 10.899 -12.712 -8.848 1.00 74.11 N ATOM 107 CA GLY A 8 9.729 -12.866 -9.693 1.00 32.20 C ATOM 108 C GLY A 8 8.433 -12.735 -8.918 1.00 73.01 C ATOM 109 O GLY A 8 7.352 -12.691 -9.505 1.00 22.42 O ATOM 0 H GLY A 8 11.188 -11.747 -8.688 1.00 74.11 H new ATOM 0 HA2 GLY A 8 9.754 -12.115 -10.483 1.00 32.20 H new ATOM 0 HA3 GLY A 8 9.761 -13.841 -10.179 1.00 32.20 H new ATOM 113 N GLY A 9 8.540 -12.674 -7.594 1.00 52.52 N ATOM 114 CA GLY A 9 7.359 -12.549 -6.759 1.00 63.24 C ATOM 115 C GLY A 9 7.068 -11.112 -6.377 1.00 4.40 C ATOM 116 O GLY A 9 7.806 -10.199 -6.752 1.00 75.35 O ATOM 0 H GLY A 9 9.423 -12.709 -7.085 1.00 52.52 H new ATOM 0 HA2 GLY A 9 6.500 -12.962 -7.287 1.00 63.24 H new ATOM 0 HA3 GLY A 9 7.493 -13.142 -5.854 1.00 63.24 H new ATOM 120 N THR A 10 5.989 -10.907 -5.628 1.00 51.44 N ATOM 121 CA THR A 10 5.600 -9.570 -5.197 1.00 43.24 C ATOM 122 C THR A 10 5.742 -9.416 -3.687 1.00 73.14 C ATOM 123 O THR A 10 5.507 -10.360 -2.934 1.00 74.21 O ATOM 124 CB THR A 10 4.149 -9.249 -5.601 1.00 33.21 C ATOM 125 OG1 THR A 10 3.357 -10.442 -5.570 1.00 12.13 O ATOM 126 CG2 THR A 10 4.097 -8.636 -6.992 1.00 74.11 C ATOM 0 H THR A 10 5.369 -11.650 -5.307 1.00 51.44 H new ATOM 0 HA THR A 10 6.271 -8.870 -5.695 1.00 43.24 H new ATOM 0 HB THR A 10 3.748 -8.528 -4.889 1.00 33.21 H new ATOM 0 HG1 THR A 10 2.435 -10.230 -5.826 1.00 12.13 H new ATOM 0 HG21 THR A 10 3.062 -8.418 -7.255 1.00 74.11 H new ATOM 0 HG22 THR A 10 4.677 -7.713 -7.005 1.00 74.11 H new ATOM 0 HG23 THR A 10 4.515 -9.337 -7.714 1.00 74.11 H new ATOM 134 N GLU A 11 6.126 -8.220 -3.252 1.00 65.32 N ATOM 135 CA GLU A 11 6.299 -7.945 -1.831 1.00 11.52 C ATOM 136 C GLU A 11 5.429 -6.769 -1.395 1.00 73.12 C ATOM 137 O GLU A 11 5.198 -5.836 -2.164 1.00 24.41 O ATOM 138 CB GLU A 11 7.768 -7.649 -1.520 1.00 53.55 C ATOM 139 CG GLU A 11 8.292 -6.393 -2.198 1.00 32.34 C ATOM 140 CD GLU A 11 9.493 -5.804 -1.484 1.00 42.03 C ATOM 141 OE1 GLU A 11 9.443 -5.676 -0.243 1.00 64.52 O ATOM 142 OE2 GLU A 11 10.484 -5.471 -2.168 1.00 54.52 O ATOM 0 H GLU A 11 6.323 -7.427 -3.863 1.00 65.32 H new ATOM 0 HA GLU A 11 5.989 -8.830 -1.276 1.00 11.52 H new ATOM 0 HB2 GLU A 11 7.889 -7.547 -0.442 1.00 53.55 H new ATOM 0 HB3 GLU A 11 8.375 -8.500 -1.830 1.00 53.55 H new ATOM 0 HG2 GLU A 11 8.564 -6.627 -3.227 1.00 32.34 H new ATOM 0 HG3 GLU A 11 7.497 -5.648 -2.240 1.00 32.34 H new ATOM 149 N GLU A 12 4.948 -6.823 -0.157 1.00 3.02 N ATOM 150 CA GLU A 12 4.102 -5.764 0.380 1.00 5.45 C ATOM 151 C GLU A 12 4.946 -4.669 1.028 1.00 23.40 C ATOM 152 O GLU A 12 5.605 -4.896 2.044 1.00 73.35 O ATOM 153 CB GLU A 12 3.118 -6.336 1.402 1.00 12.45 C ATOM 154 CG GLU A 12 2.199 -7.402 0.831 1.00 32.33 C ATOM 155 CD GLU A 12 1.577 -8.273 1.906 1.00 64.32 C ATOM 156 OE1 GLU A 12 2.323 -8.751 2.786 1.00 4.35 O ATOM 157 OE2 GLU A 12 0.346 -8.478 1.866 1.00 3.22 O ATOM 0 H GLU A 12 5.130 -7.588 0.492 1.00 3.02 H new ATOM 0 HA GLU A 12 3.543 -5.326 -0.447 1.00 5.45 H new ATOM 0 HB2 GLU A 12 3.678 -6.760 2.236 1.00 12.45 H new ATOM 0 HB3 GLU A 12 2.513 -5.524 1.805 1.00 12.45 H new ATOM 0 HG2 GLU A 12 1.408 -6.923 0.254 1.00 32.33 H new ATOM 0 HG3 GLU A 12 2.762 -8.030 0.141 1.00 32.33 H new ATOM 164 N CYS A 13 4.922 -3.482 0.433 1.00 50.42 N ATOM 165 CA CYS A 13 5.684 -2.351 0.949 1.00 24.30 C ATOM 166 C CYS A 13 4.862 -1.556 1.958 1.00 14.43 C ATOM 167 O CYS A 13 3.680 -1.289 1.739 1.00 74.55 O ATOM 168 CB CYS A 13 6.125 -1.440 -0.198 1.00 52.31 C ATOM 169 SG CYS A 13 7.047 -2.295 -1.516 1.00 32.52 S ATOM 0 H CYS A 13 4.382 -3.278 -0.408 1.00 50.42 H new ATOM 0 HA CYS A 13 6.568 -2.741 1.454 1.00 24.30 H new ATOM 0 HB2 CYS A 13 5.243 -0.969 -0.633 1.00 52.31 H new ATOM 0 HB3 CYS A 13 6.747 -0.641 0.206 1.00 52.31 H new ATOM 174 N ILE A 14 5.495 -1.179 3.064 1.00 60.20 N ATOM 175 CA ILE A 14 4.822 -0.413 4.106 1.00 65.21 C ATOM 176 C ILE A 14 5.365 1.010 4.179 1.00 61.02 C ATOM 177 O ILE A 14 6.553 1.259 3.975 1.00 44.12 O ATOM 178 CB ILE A 14 4.978 -1.081 5.485 1.00 71.21 C ATOM 179 CG1 ILE A 14 6.437 -1.475 5.723 1.00 21.15 C ATOM 180 CG2 ILE A 14 4.071 -2.298 5.589 1.00 62.40 C ATOM 181 CD1 ILE A 14 6.774 -2.867 5.238 1.00 63.43 C ATOM 0 H ILE A 14 6.473 -1.392 3.262 1.00 60.20 H new ATOM 0 HA ILE A 14 3.765 -0.383 3.843 1.00 65.21 H new ATOM 0 HB ILE A 14 4.685 -0.367 6.254 1.00 71.21 H new ATOM 0 HG12 ILE A 14 7.085 -0.757 5.220 1.00 21.15 H new ATOM 0 HG13 ILE A 14 6.654 -1.408 6.789 1.00 21.15 H new ATOM 0 HG21 ILE A 14 4.192 -2.760 6.569 1.00 62.40 H new ATOM 0 HG22 ILE A 14 3.033 -1.991 5.459 1.00 62.40 H new ATOM 0 HG23 ILE A 14 4.337 -3.017 4.814 1.00 62.40 H new ATOM 0 HD11 ILE A 14 7.824 -3.078 5.439 1.00 63.43 H new ATOM 0 HD12 ILE A 14 6.151 -3.594 5.759 1.00 63.43 H new ATOM 0 HD13 ILE A 14 6.590 -2.933 4.166 1.00 63.43 H new ATOM 193 N PRO A 15 4.475 1.968 4.479 1.00 62.23 N ATOM 194 CA PRO A 15 4.842 3.383 4.588 1.00 20.22 C ATOM 195 C PRO A 15 5.705 3.665 5.813 1.00 23.22 C ATOM 196 O PRO A 15 5.205 3.733 6.935 1.00 70.20 O ATOM 197 CB PRO A 15 3.491 4.091 4.712 1.00 14.00 C ATOM 198 CG PRO A 15 2.575 3.063 5.282 1.00 42.20 C ATOM 199 CD PRO A 15 3.043 1.743 4.734 1.00 14.04 C ATOM 0 HA PRO A 15 5.437 3.716 3.738 1.00 20.22 H new ATOM 0 HB2 PRO A 15 3.560 4.964 5.361 1.00 14.00 H new ATOM 0 HB3 PRO A 15 3.138 4.442 3.742 1.00 14.00 H new ATOM 0 HG2 PRO A 15 2.612 3.068 6.371 1.00 42.20 H new ATOM 0 HG3 PRO A 15 1.542 3.260 4.997 1.00 42.20 H new ATOM 0 HD2 PRO A 15 2.884 0.933 5.446 1.00 14.04 H new ATOM 0 HD3 PRO A 15 2.510 1.475 3.822 1.00 14.04 H new ATOM 207 N GLY A 16 7.006 3.829 5.590 1.00 31.51 N ATOM 208 CA GLY A 16 7.918 4.102 6.686 1.00 72.45 C ATOM 209 C GLY A 16 9.307 3.550 6.434 1.00 3.34 C ATOM 210 O GLY A 16 10.306 4.214 6.717 1.00 74.44 O ATOM 0 H GLY A 16 7.444 3.778 4.670 1.00 31.51 H new ATOM 0 HA2 GLY A 16 7.981 5.179 6.843 1.00 72.45 H new ATOM 0 HA3 GLY A 16 7.519 3.669 7.603 1.00 72.45 H new ATOM 214 N ILE A 17 9.372 2.334 5.904 1.00 24.45 N ATOM 215 CA ILE A 17 10.650 1.694 5.616 1.00 20.24 C ATOM 216 C ILE A 17 10.930 1.675 4.118 1.00 41.44 C ATOM 217 O ILE A 17 12.083 1.733 3.690 1.00 23.42 O ATOM 218 CB ILE A 17 10.690 0.251 6.153 1.00 64.44 C ATOM 219 CG1 ILE A 17 10.205 0.208 7.603 1.00 4.41 C ATOM 220 CG2 ILE A 17 12.098 -0.316 6.042 1.00 30.23 C ATOM 221 CD1 ILE A 17 10.203 -1.182 8.199 1.00 0.23 C ATOM 0 H ILE A 17 8.555 1.772 5.665 1.00 24.45 H new ATOM 0 HA ILE A 17 11.418 2.282 6.119 1.00 20.24 H new ATOM 0 HB ILE A 17 10.022 -0.364 5.549 1.00 64.44 H new ATOM 0 HG12 ILE A 17 10.840 0.853 8.209 1.00 4.41 H new ATOM 0 HG13 ILE A 17 9.196 0.617 7.652 1.00 4.41 H new ATOM 0 HG21 ILE A 17 12.111 -1.336 6.425 1.00 30.23 H new ATOM 0 HG22 ILE A 17 12.408 -0.317 4.997 1.00 30.23 H new ATOM 0 HG23 ILE A 17 12.785 0.299 6.624 1.00 30.23 H new ATOM 0 HD11 ILE A 17 9.848 -1.136 9.228 1.00 0.23 H new ATOM 0 HD12 ILE A 17 9.545 -1.827 7.616 1.00 0.23 H new ATOM 0 HD13 ILE A 17 11.215 -1.587 8.182 1.00 0.23 H new ATOM 233 N TYR A 18 9.868 1.597 3.324 1.00 52.00 N ATOM 234 CA TYR A 18 9.999 1.571 1.872 1.00 32.30 C ATOM 235 C TYR A 18 9.046 2.568 1.221 1.00 52.41 C ATOM 236 O TYR A 18 7.831 2.373 1.219 1.00 62.10 O ATOM 237 CB TYR A 18 9.724 0.163 1.340 1.00 54.44 C ATOM 238 CG TYR A 18 10.430 -0.926 2.115 1.00 74.03 C ATOM 239 CD1 TYR A 18 11.789 -0.841 2.388 1.00 24.41 C ATOM 240 CD2 TYR A 18 9.738 -2.040 2.573 1.00 74.33 C ATOM 241 CE1 TYR A 18 12.439 -1.835 3.095 1.00 10.43 C ATOM 242 CE2 TYR A 18 10.379 -3.037 3.282 1.00 74.51 C ATOM 243 CZ TYR A 18 11.729 -2.930 3.540 1.00 22.34 C ATOM 244 OH TYR A 18 12.372 -3.922 4.245 1.00 33.23 O ATOM 0 H TYR A 18 8.907 1.551 3.661 1.00 52.00 H new ATOM 0 HA TYR A 18 11.021 1.855 1.619 1.00 32.30 H new ATOM 0 HB2 TYR A 18 8.650 -0.022 1.365 1.00 54.44 H new ATOM 0 HB3 TYR A 18 10.032 0.112 0.296 1.00 54.44 H new ATOM 0 HD1 TYR A 18 12.347 0.016 2.042 1.00 24.41 H new ATOM 0 HD2 TYR A 18 8.681 -2.128 2.371 1.00 74.33 H new ATOM 0 HE1 TYR A 18 13.497 -1.754 3.298 1.00 10.43 H new ATOM 0 HE2 TYR A 18 9.826 -3.896 3.632 1.00 74.51 H new ATOM 0 HH TYR A 18 11.729 -4.621 4.486 1.00 33.23 H new ATOM 254 N ASN A 19 9.607 3.639 0.668 1.00 62.41 N ATOM 255 CA ASN A 19 8.809 4.668 0.013 1.00 54.22 C ATOM 256 C ASN A 19 9.194 4.802 -1.457 1.00 73.04 C ATOM 257 O ASN A 19 8.488 5.439 -2.240 1.00 3.13 O ATOM 258 CB ASN A 19 8.989 6.011 0.723 1.00 55.41 C ATOM 259 CG ASN A 19 10.239 6.741 0.272 1.00 23.10 C ATOM 260 OD1 ASN A 19 10.171 7.687 -0.512 1.00 54.33 O ATOM 261 ND2 ASN A 19 11.391 6.302 0.767 1.00 12.10 N ATOM 0 H ASN A 19 10.611 3.816 0.661 1.00 62.41 H new ATOM 0 HA ASN A 19 7.762 4.371 0.070 1.00 54.22 H new ATOM 0 HB2 ASN A 19 8.118 6.638 0.535 1.00 55.41 H new ATOM 0 HB3 ASN A 19 9.036 5.846 1.799 1.00 55.41 H new ATOM 0 HD21 ASN A 19 12.266 6.753 0.500 1.00 12.10 H new ATOM 0 HD22 ASN A 19 11.401 5.514 1.415 1.00 12.10 H new ATOM 268 N VAL A 20 10.318 4.196 -1.827 1.00 11.14 N ATOM 269 CA VAL A 20 10.797 4.246 -3.203 1.00 34.41 C ATOM 270 C VAL A 20 10.803 2.857 -3.833 1.00 11.32 C ATOM 271 O VAL A 20 10.615 1.852 -3.147 1.00 63.44 O ATOM 272 CB VAL A 20 12.215 4.840 -3.283 1.00 23.14 C ATOM 273 CG1 VAL A 20 12.204 6.305 -2.874 1.00 44.10 C ATOM 274 CG2 VAL A 20 13.176 4.043 -2.414 1.00 21.35 C ATOM 0 H VAL A 20 10.914 3.664 -1.192 1.00 11.14 H new ATOM 0 HA VAL A 20 10.111 4.889 -3.754 1.00 34.41 H new ATOM 0 HB VAL A 20 12.558 4.778 -4.316 1.00 23.14 H new ATOM 0 HG11 VAL A 20 13.215 6.708 -2.937 1.00 44.10 H new ATOM 0 HG12 VAL A 20 11.548 6.864 -3.542 1.00 44.10 H new ATOM 0 HG13 VAL A 20 11.841 6.394 -1.850 1.00 44.10 H new ATOM 0 HG21 VAL A 20 14.174 4.477 -2.483 1.00 21.35 H new ATOM 0 HG22 VAL A 20 12.838 4.071 -1.378 1.00 21.35 H new ATOM 0 HG23 VAL A 20 13.206 3.009 -2.758 1.00 21.35 H new ATOM 284 N CYS A 21 11.020 2.809 -5.143 1.00 24.02 N ATOM 285 CA CYS A 21 11.052 1.544 -5.867 1.00 54.21 C ATOM 286 C CYS A 21 11.899 1.662 -7.131 1.00 32.11 C ATOM 287 O CYS A 21 11.885 2.690 -7.807 1.00 53.44 O ATOM 288 CB CYS A 21 9.632 1.106 -6.231 1.00 33.42 C ATOM 289 SG CYS A 21 8.601 2.432 -6.936 1.00 45.13 S ATOM 0 H CYS A 21 11.176 3.632 -5.725 1.00 24.02 H new ATOM 0 HA CYS A 21 11.502 0.793 -5.218 1.00 54.21 H new ATOM 0 HB2 CYS A 21 9.689 0.286 -6.946 1.00 33.42 H new ATOM 0 HB3 CYS A 21 9.143 0.717 -5.338 1.00 33.42 H new ATOM 294 N VAL A 22 12.636 0.601 -7.443 1.00 70.24 N ATOM 295 CA VAL A 22 13.489 0.584 -8.626 1.00 75.31 C ATOM 296 C VAL A 22 13.343 -0.728 -9.390 1.00 11.24 C ATOM 297 O VAL A 22 13.274 -1.802 -8.792 1.00 34.31 O ATOM 298 CB VAL A 22 14.969 0.787 -8.254 1.00 22.54 C ATOM 299 CG1 VAL A 22 15.875 0.197 -9.324 1.00 51.32 C ATOM 300 CG2 VAL A 22 15.268 2.263 -8.044 1.00 41.44 C ATOM 0 H VAL A 22 12.660 -0.258 -6.893 1.00 70.24 H new ATOM 0 HA VAL A 22 13.166 1.409 -9.261 1.00 75.31 H new ATOM 0 HB VAL A 22 15.165 0.264 -7.318 1.00 22.54 H new ATOM 0 HG11 VAL A 22 16.917 0.350 -9.043 1.00 51.32 H new ATOM 0 HG12 VAL A 22 15.678 -0.871 -9.419 1.00 51.32 H new ATOM 0 HG13 VAL A 22 15.680 0.688 -10.277 1.00 51.32 H new ATOM 0 HG21 VAL A 22 16.319 2.388 -7.782 1.00 41.44 H new ATOM 0 HG22 VAL A 22 15.056 2.811 -8.962 1.00 41.44 H new ATOM 0 HG23 VAL A 22 14.644 2.649 -7.238 1.00 41.44 H new ATOM 310 N HIS A 23 13.298 -0.633 -10.715 1.00 14.13 N ATOM 311 CA HIS A 23 13.161 -1.813 -11.561 1.00 43.24 C ATOM 312 C HIS A 23 14.292 -1.881 -12.584 1.00 75.10 C ATOM 313 O HIS A 23 14.402 -1.023 -13.460 1.00 1.10 O ATOM 314 CB HIS A 23 11.810 -1.800 -12.277 1.00 43.52 C ATOM 315 CG HIS A 23 11.680 -2.857 -13.330 1.00 51.20 C ATOM 316 ND1 HIS A 23 12.293 -4.056 -13.461 1.00 13.23 N flip ATOM 317 CD2 HIS A 23 10.837 -2.739 -14.415 1.00 23.31 C flip ATOM 318 CE1 HIS A 23 11.814 -4.636 -14.610 1.00 53.22 C flip ATOM 319 NE2 HIS A 23 10.936 -3.821 -15.166 1.00 15.23 N flip ATOM 0 H HIS A 23 13.354 0.248 -11.226 1.00 14.13 H new ATOM 0 HA HIS A 23 13.217 -2.695 -10.924 1.00 43.24 H new ATOM 0 HB2 HIS A 23 11.017 -1.932 -11.541 1.00 43.52 H new ATOM 0 HB3 HIS A 23 11.660 -0.822 -12.735 1.00 43.52 H new ATOM 0 HD2 HIS A 23 10.196 -1.894 -14.619 1.00 23.31 H new ATOM 0 HE1 HIS A 23 12.107 -5.601 -14.996 1.00 53.22 H new ATOM 0 HE2 HIS A 23 10.422 -3.997 -16.029 1.00 15.23 H new ATOM 327 N TYR A 24 15.128 -2.906 -12.466 1.00 4.11 N ATOM 328 CA TYR A 24 16.252 -3.084 -13.378 1.00 30.12 C ATOM 329 C TYR A 24 15.948 -4.164 -14.412 1.00 23.12 C ATOM 330 O TYR A 24 15.783 -5.336 -14.073 1.00 73.23 O ATOM 331 CB TYR A 24 17.516 -3.450 -12.598 1.00 31.11 C ATOM 332 CG TYR A 24 18.772 -3.438 -13.440 1.00 12.12 C ATOM 333 CD1 TYR A 24 19.023 -4.447 -14.362 1.00 2.42 C ATOM 334 CD2 TYR A 24 19.707 -2.419 -13.313 1.00 2.53 C ATOM 335 CE1 TYR A 24 20.170 -4.440 -15.133 1.00 34.02 C ATOM 336 CE2 TYR A 24 20.855 -2.403 -14.080 1.00 65.15 C ATOM 337 CZ TYR A 24 21.082 -3.416 -14.989 1.00 3.02 C ATOM 338 OH TYR A 24 22.226 -3.405 -15.754 1.00 53.14 O ATOM 0 H TYR A 24 15.049 -3.626 -11.748 1.00 4.11 H new ATOM 0 HA TYR A 24 16.416 -2.142 -13.901 1.00 30.12 H new ATOM 0 HB2 TYR A 24 17.637 -2.751 -11.770 1.00 31.11 H new ATOM 0 HB3 TYR A 24 17.390 -4.441 -12.163 1.00 31.11 H new ATOM 0 HD1 TYR A 24 18.310 -5.250 -14.478 1.00 2.42 H new ATOM 0 HD2 TYR A 24 19.533 -1.625 -12.602 1.00 2.53 H new ATOM 0 HE1 TYR A 24 20.351 -5.232 -15.844 1.00 34.02 H new ATOM 0 HE2 TYR A 24 21.571 -1.602 -13.969 1.00 65.15 H new ATOM 0 HH TYR A 24 22.761 -2.615 -15.531 1.00 53.14 H new ATOM 348 N LYS A 25 15.877 -3.760 -15.676 1.00 22.43 N ATOM 349 CA LYS A 25 15.596 -4.691 -16.762 1.00 74.21 C ATOM 350 C LYS A 25 16.663 -4.599 -17.848 1.00 30.11 C ATOM 351 O LYS A 25 16.811 -3.566 -18.500 1.00 1.52 O ATOM 352 CB LYS A 25 14.217 -4.405 -17.362 1.00 30.42 C ATOM 353 CG LYS A 25 13.543 -5.633 -17.950 1.00 1.01 C ATOM 354 CD LYS A 25 13.948 -5.851 -19.398 1.00 73.12 C ATOM 355 CE LYS A 25 13.275 -4.847 -20.322 1.00 61.41 C ATOM 356 NZ LYS A 25 11.827 -5.142 -20.501 1.00 75.41 N ATOM 0 H LYS A 25 16.010 -2.793 -15.973 1.00 22.43 H new ATOM 0 HA LYS A 25 15.606 -5.701 -16.353 1.00 74.21 H new ATOM 0 HB2 LYS A 25 13.574 -3.983 -16.589 1.00 30.42 H new ATOM 0 HB3 LYS A 25 14.318 -3.649 -18.140 1.00 30.42 H new ATOM 0 HG2 LYS A 25 13.807 -6.511 -17.361 1.00 1.01 H new ATOM 0 HG3 LYS A 25 12.461 -5.521 -17.887 1.00 1.01 H new ATOM 0 HD2 LYS A 25 15.031 -5.764 -19.491 1.00 73.12 H new ATOM 0 HD3 LYS A 25 13.682 -6.863 -19.703 1.00 73.12 H new ATOM 0 HE2 LYS A 25 13.393 -3.843 -19.915 1.00 61.41 H new ATOM 0 HE3 LYS A 25 13.771 -4.858 -21.293 1.00 61.41 H new ATOM 0 HZ1 LYS A 25 11.447 -4.558 -21.273 1.00 75.41 H new ATOM 0 HZ2 LYS A 25 11.704 -6.148 -20.734 1.00 75.41 H new ATOM 0 HZ3 LYS A 25 11.317 -4.926 -19.621 1.00 75.41 H new ATOM 370 N SER A 26 17.403 -5.687 -18.038 1.00 2.34 N ATOM 371 CA SER A 26 18.458 -5.727 -19.043 1.00 64.32 C ATOM 372 C SER A 26 18.384 -7.016 -19.857 1.00 0.31 C ATOM 373 O SER A 26 17.769 -7.994 -19.434 1.00 53.14 O ATOM 374 CB SER A 26 19.831 -5.610 -18.378 1.00 10.43 C ATOM 375 OG SER A 26 20.110 -4.268 -18.018 1.00 51.41 O ATOM 0 H SER A 26 17.291 -6.552 -17.509 1.00 2.34 H new ATOM 0 HA SER A 26 18.315 -4.882 -19.717 1.00 64.32 H new ATOM 0 HB2 SER A 26 19.864 -6.242 -17.491 1.00 10.43 H new ATOM 0 HB3 SER A 26 20.600 -5.975 -19.058 1.00 10.43 H new ATOM 0 HG SER A 26 19.788 -4.100 -17.108 1.00 51.41 H new ATOM 381 N GLU A 27 19.016 -7.007 -21.027 1.00 12.24 N ATOM 382 CA GLU A 27 19.021 -8.174 -21.900 1.00 75.33 C ATOM 383 C GLU A 27 19.965 -9.248 -21.368 1.00 64.14 C ATOM 384 O GLU A 27 19.920 -10.400 -21.801 1.00 51.33 O ATOM 385 CB GLU A 27 19.431 -7.775 -23.319 1.00 64.32 C ATOM 386 CG GLU A 27 18.717 -6.537 -23.834 1.00 60.13 C ATOM 387 CD GLU A 27 18.984 -6.278 -25.304 1.00 63.53 C ATOM 388 OE1 GLU A 27 20.000 -5.622 -25.617 1.00 33.41 O ATOM 389 OE2 GLU A 27 18.177 -6.733 -26.142 1.00 43.12 O ATOM 0 H GLU A 27 19.530 -6.205 -21.391 1.00 12.24 H new ATOM 0 HA GLU A 27 18.011 -8.583 -21.923 1.00 75.33 H new ATOM 0 HB2 GLU A 27 20.507 -7.599 -23.341 1.00 64.32 H new ATOM 0 HB3 GLU A 27 19.230 -8.607 -23.994 1.00 64.32 H new ATOM 0 HG2 GLU A 27 17.644 -6.650 -23.678 1.00 60.13 H new ATOM 0 HG3 GLU A 27 19.034 -5.671 -23.253 1.00 60.13 H new ATOM 396 N ASP A 28 20.821 -8.862 -20.428 1.00 54.02 N ATOM 397 CA ASP A 28 21.777 -9.791 -19.836 1.00 55.41 C ATOM 398 C ASP A 28 21.319 -10.230 -18.449 1.00 21.22 C ATOM 399 O ASP A 28 21.690 -11.303 -17.974 1.00 44.00 O ATOM 400 CB ASP A 28 23.160 -9.145 -19.750 1.00 25.23 C ATOM 401 CG ASP A 28 24.278 -10.135 -20.014 1.00 42.44 C ATOM 402 OD1 ASP A 28 24.620 -10.905 -19.093 1.00 34.24 O ATOM 403 OD2 ASP A 28 24.811 -10.139 -21.144 1.00 30.04 O ATOM 0 H ASP A 28 20.872 -7.912 -20.060 1.00 54.02 H new ATOM 0 HA ASP A 28 21.835 -10.672 -20.475 1.00 55.41 H new ATOM 0 HB2 ASP A 28 23.223 -8.330 -20.471 1.00 25.23 H new ATOM 0 HB3 ASP A 28 23.292 -8.707 -18.761 1.00 25.23 H new ATOM 408 N GLU A 29 20.512 -9.393 -17.804 1.00 62.12 N ATOM 409 CA GLU A 29 20.006 -9.696 -16.470 1.00 44.55 C ATOM 410 C GLU A 29 18.763 -8.867 -16.159 1.00 60.34 C ATOM 411 O GLU A 29 18.460 -7.900 -16.856 1.00 53.42 O ATOM 412 CB GLU A 29 21.086 -9.430 -15.419 1.00 52.31 C ATOM 413 CG GLU A 29 21.337 -7.953 -15.164 1.00 52.03 C ATOM 414 CD GLU A 29 22.639 -7.701 -14.429 1.00 13.12 C ATOM 415 OE1 GLU A 29 22.952 -8.472 -13.498 1.00 0.05 O ATOM 416 OE2 GLU A 29 23.344 -6.733 -14.784 1.00 34.34 O ATOM 0 H GLU A 29 20.195 -8.501 -18.183 1.00 62.12 H new ATOM 0 HA GLU A 29 19.734 -10.751 -16.443 1.00 44.55 H new ATOM 0 HB2 GLU A 29 20.796 -9.907 -14.483 1.00 52.31 H new ATOM 0 HB3 GLU A 29 22.017 -9.898 -15.740 1.00 52.31 H new ATOM 0 HG2 GLU A 29 21.352 -7.421 -16.115 1.00 52.03 H new ATOM 0 HG3 GLU A 29 20.511 -7.543 -14.583 1.00 52.03 H new ATOM 423 N GLU A 30 18.048 -9.256 -15.108 1.00 72.14 N ATOM 424 CA GLU A 30 16.837 -8.550 -14.706 1.00 72.51 C ATOM 425 C GLU A 30 16.535 -8.787 -13.229 1.00 11.50 C ATOM 426 O GLU A 30 16.420 -9.928 -12.782 1.00 71.14 O ATOM 427 CB GLU A 30 15.650 -9.002 -15.559 1.00 75.11 C ATOM 428 CG GLU A 30 14.316 -8.448 -15.088 1.00 14.12 C ATOM 429 CD GLU A 30 13.176 -8.794 -16.026 1.00 33.21 C ATOM 430 OE1 GLU A 30 13.139 -9.941 -16.518 1.00 62.11 O ATOM 431 OE2 GLU A 30 12.320 -7.917 -16.267 1.00 73.33 O ATOM 0 H GLU A 30 18.286 -10.055 -14.520 1.00 72.14 H new ATOM 0 HA GLU A 30 17.000 -7.483 -14.860 1.00 72.51 H new ATOM 0 HB2 GLU A 30 15.817 -8.695 -16.591 1.00 75.11 H new ATOM 0 HB3 GLU A 30 15.604 -10.091 -15.554 1.00 75.11 H new ATOM 0 HG2 GLU A 30 14.095 -8.838 -14.095 1.00 14.12 H new ATOM 0 HG3 GLU A 30 14.389 -7.364 -14.996 1.00 14.12 H new ATOM 438 N TYR A 31 16.408 -7.699 -12.476 1.00 64.43 N ATOM 439 CA TYR A 31 16.123 -7.787 -11.049 1.00 50.11 C ATOM 440 C TYR A 31 15.468 -6.505 -10.545 1.00 10.32 C ATOM 441 O TYR A 31 15.523 -5.465 -11.202 1.00 54.10 O ATOM 442 CB TYR A 31 17.409 -8.058 -10.266 1.00 52.02 C ATOM 443 CG TYR A 31 18.425 -6.942 -10.365 1.00 73.54 C ATOM 444 CD1 TYR A 31 18.289 -5.783 -9.612 1.00 74.11 C ATOM 445 CD2 TYR A 31 19.521 -7.049 -11.212 1.00 43.31 C ATOM 446 CE1 TYR A 31 19.214 -4.761 -9.700 1.00 70.24 C ATOM 447 CE2 TYR A 31 20.453 -6.032 -11.306 1.00 35.43 C ATOM 448 CZ TYR A 31 20.294 -4.891 -10.548 1.00 42.42 C ATOM 449 OH TYR A 31 21.219 -3.876 -10.638 1.00 10.41 O ATOM 0 H TYR A 31 16.498 -6.747 -12.830 1.00 64.43 H new ATOM 0 HA TYR A 31 15.430 -8.614 -10.893 1.00 50.11 H new ATOM 0 HB2 TYR A 31 17.159 -8.218 -9.217 1.00 52.02 H new ATOM 0 HB3 TYR A 31 17.859 -8.981 -10.631 1.00 52.02 H new ATOM 0 HD1 TYR A 31 17.445 -5.679 -8.946 1.00 74.11 H new ATOM 0 HD2 TYR A 31 19.647 -7.941 -11.807 1.00 43.31 H new ATOM 0 HE1 TYR A 31 19.092 -3.866 -9.108 1.00 70.24 H new ATOM 0 HE2 TYR A 31 21.300 -6.131 -11.969 1.00 35.43 H new ATOM 0 HH TYR A 31 20.985 -3.285 -11.384 1.00 10.41 H new ATOM 459 N LYS A 32 14.848 -6.586 -9.372 1.00 64.22 N ATOM 460 CA LYS A 32 14.184 -5.434 -8.776 1.00 15.22 C ATOM 461 C LYS A 32 14.449 -5.369 -7.275 1.00 42.32 C ATOM 462 O LYS A 32 14.340 -6.373 -6.572 1.00 13.12 O ATOM 463 CB LYS A 32 12.677 -5.498 -9.035 1.00 53.45 C ATOM 464 CG LYS A 32 12.313 -5.495 -10.510 1.00 51.11 C ATOM 465 CD LYS A 32 10.923 -6.063 -10.743 1.00 11.14 C ATOM 466 CE LYS A 32 10.801 -6.690 -12.123 1.00 54.41 C ATOM 467 NZ LYS A 32 9.768 -7.763 -12.156 1.00 4.53 N ATOM 0 H LYS A 32 14.792 -7.439 -8.815 1.00 64.22 H new ATOM 0 HA LYS A 32 14.589 -4.534 -9.238 1.00 15.22 H new ATOM 0 HB2 LYS A 32 12.275 -6.399 -8.572 1.00 53.45 H new ATOM 0 HB3 LYS A 32 12.197 -4.649 -8.549 1.00 53.45 H new ATOM 0 HG2 LYS A 32 12.360 -4.476 -10.895 1.00 51.11 H new ATOM 0 HG3 LYS A 32 13.044 -6.080 -11.067 1.00 51.11 H new ATOM 0 HD2 LYS A 32 10.702 -6.811 -9.982 1.00 11.14 H new ATOM 0 HD3 LYS A 32 10.182 -5.271 -10.636 1.00 11.14 H new ATOM 0 HE2 LYS A 32 10.547 -5.919 -12.851 1.00 54.41 H new ATOM 0 HE3 LYS A 32 11.764 -7.104 -12.420 1.00 54.41 H new ATOM 0 HZ1 LYS A 32 9.716 -8.165 -13.114 1.00 4.53 H new ATOM 0 HZ2 LYS A 32 10.023 -8.511 -11.480 1.00 4.53 H new ATOM 0 HZ3 LYS A 32 8.844 -7.363 -11.897 1.00 4.53 H new ATOM 481 N SER A 33 14.797 -4.181 -6.791 1.00 43.44 N ATOM 482 CA SER A 33 15.081 -3.986 -5.374 1.00 54.53 C ATOM 483 C SER A 33 15.147 -2.500 -5.033 1.00 42.02 C ATOM 484 O SER A 33 15.609 -1.687 -5.834 1.00 44.03 O ATOM 485 CB SER A 33 16.398 -4.667 -4.997 1.00 53.54 C ATOM 486 OG SER A 33 16.205 -6.049 -4.751 1.00 11.43 O ATOM 0 H SER A 33 14.889 -3.339 -7.359 1.00 43.44 H new ATOM 0 HA SER A 33 14.271 -4.437 -4.801 1.00 54.53 H new ATOM 0 HB2 SER A 33 17.122 -4.535 -5.801 1.00 53.54 H new ATOM 0 HB3 SER A 33 16.816 -4.191 -4.110 1.00 53.54 H new ATOM 0 HG SER A 33 15.337 -6.327 -5.112 1.00 11.43 H new ATOM 492 N CYS A 34 14.682 -2.152 -3.838 1.00 21.51 N ATOM 493 CA CYS A 34 14.687 -0.766 -3.388 1.00 42.34 C ATOM 494 C CYS A 34 14.085 -0.644 -1.992 1.00 33.43 C ATOM 495 O CYS A 34 13.867 -1.644 -1.309 1.00 73.41 O ATOM 496 CB CYS A 34 13.909 0.113 -4.370 1.00 1.34 C ATOM 497 SG CYS A 34 14.729 1.691 -4.766 1.00 64.34 S ATOM 0 H CYS A 34 14.296 -2.812 -3.163 1.00 21.51 H new ATOM 0 HA CYS A 34 15.722 -0.427 -3.348 1.00 42.34 H new ATOM 0 HB2 CYS A 34 13.752 -0.444 -5.294 1.00 1.34 H new ATOM 0 HB3 CYS A 34 12.924 0.322 -3.952 1.00 1.34 H new ATOM 0 HG CYS A 34 15.932 1.690 -4.274 1.00 64.34 H new ATOM 502 N GLY A 35 13.817 0.589 -1.573 1.00 44.24 N ATOM 503 CA GLY A 35 13.243 0.819 -0.261 1.00 14.22 C ATOM 504 C GLY A 35 13.239 2.286 0.121 1.00 15.03 C ATOM 505 O GLY A 35 12.198 2.943 0.075 1.00 2.23 O ATOM 0 H GLY A 35 13.988 1.433 -2.120 1.00 44.24 H new ATOM 0 HA2 GLY A 35 12.221 0.439 -0.243 1.00 14.22 H new ATOM 0 HA3 GLY A 35 13.806 0.255 0.482 1.00 14.22 H new ATOM 509 N ILE A 36 14.403 2.800 0.501 1.00 4.11 N ATOM 510 CA ILE A 36 14.529 4.198 0.893 1.00 3.34 C ATOM 511 C ILE A 36 15.298 4.996 -0.154 1.00 41.14 C ATOM 512 O ILE A 36 16.288 4.519 -0.708 1.00 23.02 O ATOM 513 CB ILE A 36 15.239 4.340 2.253 1.00 60.22 C ATOM 514 CG1 ILE A 36 16.403 3.352 2.350 1.00 5.11 C ATOM 515 CG2 ILE A 36 14.253 4.119 3.390 1.00 24.25 C ATOM 516 CD1 ILE A 36 17.182 3.462 3.642 1.00 23.53 C ATOM 0 H ILE A 36 15.273 2.269 0.546 1.00 4.11 H new ATOM 0 HA ILE A 36 13.517 4.594 0.977 1.00 3.34 H new ATOM 0 HB ILE A 36 15.638 5.351 2.335 1.00 60.22 H new ATOM 0 HG12 ILE A 36 16.017 2.337 2.253 1.00 5.11 H new ATOM 0 HG13 ILE A 36 17.080 3.517 1.512 1.00 5.11 H new ATOM 0 HG21 ILE A 36 14.769 4.222 4.344 1.00 24.25 H new ATOM 0 HG22 ILE A 36 13.454 4.858 3.328 1.00 24.25 H new ATOM 0 HG23 ILE A 36 13.828 3.118 3.314 1.00 24.25 H new ATOM 0 HD11 ILE A 36 17.992 2.732 3.642 1.00 23.53 H new ATOM 0 HD12 ILE A 36 17.598 4.466 3.732 1.00 23.53 H new ATOM 0 HD13 ILE A 36 16.518 3.268 4.485 1.00 23.53 H new ATOM 528 N GLN A 37 14.836 6.214 -0.420 1.00 32.43 N ATOM 529 CA GLN A 37 15.481 7.078 -1.400 1.00 43.35 C ATOM 530 C GLN A 37 16.977 7.193 -1.124 1.00 53.41 C ATOM 531 O GLN A 37 17.769 7.428 -2.036 1.00 1.23 O ATOM 532 CB GLN A 37 14.840 8.467 -1.388 1.00 32.12 C ATOM 533 CG GLN A 37 15.250 9.337 -2.565 1.00 1.44 C ATOM 534 CD GLN A 37 14.155 9.465 -3.606 1.00 5.35 C ATOM 535 OE1 GLN A 37 13.892 8.380 -4.324 1.00 22.25 O flip ATOM 536 NE2 GLN A 37 13.553 10.528 -3.763 1.00 52.21 N flip ATOM 0 H GLN A 37 14.017 6.624 0.030 1.00 32.43 H new ATOM 0 HA GLN A 37 15.345 6.632 -2.385 1.00 43.35 H new ATOM 0 HB2 GLN A 37 13.756 8.357 -1.388 1.00 32.12 H new ATOM 0 HB3 GLN A 37 15.109 8.974 -0.461 1.00 32.12 H new ATOM 0 HG2 GLN A 37 15.519 10.329 -2.202 1.00 1.44 H new ATOM 0 HG3 GLN A 37 16.141 8.916 -3.030 1.00 1.44 H new ATOM 0 HE21 GLN A 37 13.788 11.337 -3.188 1.00 52.21 H new ATOM 0 HE22 GLN A 37 12.819 10.599 -4.468 1.00 52.21 H new ATOM 545 N GLU A 38 17.355 7.027 0.140 1.00 74.15 N ATOM 546 CA GLU A 38 18.755 7.114 0.535 1.00 65.41 C ATOM 547 C GLU A 38 19.554 5.942 -0.030 1.00 51.54 C ATOM 548 O GLU A 38 20.698 6.105 -0.453 1.00 0.10 O ATOM 549 CB GLU A 38 18.877 7.139 2.060 1.00 44.40 C ATOM 550 CG GLU A 38 20.221 7.648 2.555 1.00 60.13 C ATOM 551 CD GLU A 38 20.300 9.162 2.575 1.00 1.04 C ATOM 552 OE1 GLU A 38 20.689 9.749 1.544 1.00 53.31 O ATOM 553 OE2 GLU A 38 19.974 9.759 3.622 1.00 10.52 O ATOM 0 H GLU A 38 16.711 6.832 0.907 1.00 74.15 H new ATOM 0 HA GLU A 38 19.163 8.040 0.129 1.00 65.41 H new ATOM 0 HB2 GLU A 38 18.087 7.768 2.469 1.00 44.40 H new ATOM 0 HB3 GLU A 38 18.715 6.132 2.446 1.00 44.40 H new ATOM 0 HG2 GLU A 38 20.403 7.265 3.559 1.00 60.13 H new ATOM 0 HG3 GLU A 38 21.012 7.255 1.916 1.00 60.13 H new ATOM 560 N GLU A 39 18.941 4.763 -0.033 1.00 62.33 N ATOM 561 CA GLU A 39 19.595 3.564 -0.545 1.00 45.21 C ATOM 562 C GLU A 39 19.401 3.440 -2.054 1.00 3.44 C ATOM 563 O GLU A 39 20.215 2.830 -2.748 1.00 32.23 O ATOM 564 CB GLU A 39 19.047 2.319 0.155 1.00 63.33 C ATOM 565 CG GLU A 39 19.546 2.152 1.580 1.00 4.11 C ATOM 566 CD GLU A 39 18.976 0.921 2.258 1.00 40.42 C ATOM 567 OE1 GLU A 39 18.149 0.229 1.629 1.00 35.42 O ATOM 568 OE2 GLU A 39 19.356 0.651 3.416 1.00 44.10 O ATOM 0 H GLU A 39 17.993 4.612 0.313 1.00 62.33 H new ATOM 0 HA GLU A 39 20.662 3.647 -0.339 1.00 45.21 H new ATOM 0 HB2 GLU A 39 17.958 2.367 0.164 1.00 63.33 H new ATOM 0 HB3 GLU A 39 19.322 1.437 -0.423 1.00 63.33 H new ATOM 0 HG2 GLU A 39 20.634 2.088 1.575 1.00 4.11 H new ATOM 0 HG3 GLU A 39 19.282 3.037 2.159 1.00 4.11 H new ATOM 575 N CYS A 40 18.318 4.024 -2.554 1.00 75.45 N ATOM 576 CA CYS A 40 18.014 3.979 -3.980 1.00 30.13 C ATOM 577 C CYS A 40 18.819 5.029 -4.740 1.00 74.04 C ATOM 578 O CYS A 40 19.219 4.810 -5.883 1.00 23.11 O ATOM 579 CB CYS A 40 16.518 4.201 -4.211 1.00 70.40 C ATOM 580 SG CYS A 40 15.611 2.699 -4.703 1.00 1.12 S ATOM 0 H CYS A 40 17.636 4.534 -1.993 1.00 75.45 H new ATOM 0 HA CYS A 40 18.290 2.993 -4.355 1.00 30.13 H new ATOM 0 HB2 CYS A 40 16.075 4.597 -3.297 1.00 70.40 H new ATOM 0 HB3 CYS A 40 16.389 4.960 -4.983 1.00 70.40 H new ATOM 0 HG CYS A 40 14.793 2.356 -3.753 1.00 1.12 H new ATOM 585 N GLU A 41 19.051 6.169 -4.097 1.00 54.13 N ATOM 586 CA GLU A 41 19.807 7.253 -4.714 1.00 33.12 C ATOM 587 C GLU A 41 21.289 6.902 -4.800 1.00 23.33 C ATOM 588 O GLU A 41 22.047 7.535 -5.535 1.00 55.03 O ATOM 589 CB GLU A 41 19.623 8.548 -3.920 1.00 43.22 C ATOM 590 CG GLU A 41 20.225 9.768 -4.598 1.00 71.32 C ATOM 591 CD GLU A 41 19.464 11.042 -4.289 1.00 14.11 C ATOM 592 OE1 GLU A 41 18.240 11.078 -4.535 1.00 60.51 O ATOM 593 OE2 GLU A 41 20.092 12.004 -3.800 1.00 44.21 O ATOM 0 H GLU A 41 18.727 6.366 -3.150 1.00 54.13 H new ATOM 0 HA GLU A 41 19.427 7.398 -5.725 1.00 33.12 H new ATOM 0 HB2 GLU A 41 18.558 8.719 -3.762 1.00 43.22 H new ATOM 0 HB3 GLU A 41 20.077 8.429 -2.936 1.00 43.22 H new ATOM 0 HG2 GLU A 41 21.261 9.882 -4.279 1.00 71.32 H new ATOM 0 HG3 GLU A 41 20.239 9.610 -5.676 1.00 71.32 H new ATOM 600 N ASP A 42 21.696 5.889 -4.042 1.00 70.13 N ATOM 601 CA ASP A 42 23.087 5.452 -4.032 1.00 43.33 C ATOM 602 C ASP A 42 23.588 5.200 -5.451 1.00 72.31 C ATOM 603 O ASP A 42 24.776 5.344 -5.735 1.00 64.13 O ATOM 604 CB ASP A 42 23.240 4.184 -3.191 1.00 41.10 C ATOM 605 CG ASP A 42 24.066 4.415 -1.941 1.00 22.31 C ATOM 606 OD1 ASP A 42 24.033 5.544 -1.407 1.00 62.53 O ATOM 607 OD2 ASP A 42 24.745 3.466 -1.496 1.00 1.13 O ATOM 0 H ASP A 42 21.082 5.355 -3.427 1.00 70.13 H new ATOM 0 HA ASP A 42 23.688 6.246 -3.590 1.00 43.33 H new ATOM 0 HB2 ASP A 42 22.253 3.818 -2.908 1.00 41.10 H new ATOM 0 HB3 ASP A 42 23.708 3.406 -3.794 1.00 41.10 H new ATOM 612 N ALA A 43 22.673 4.821 -6.337 1.00 53.23 N ATOM 613 CA ALA A 43 23.021 4.549 -7.726 1.00 50.44 C ATOM 614 C ALA A 43 23.372 5.836 -8.466 1.00 75.12 C ATOM 615 O ALA A 43 22.534 6.410 -9.162 1.00 22.04 O ATOM 616 CB ALA A 43 21.877 3.831 -8.426 1.00 61.44 C ATOM 0 H ALA A 43 21.685 4.695 -6.117 1.00 53.23 H new ATOM 0 HA ALA A 43 23.900 3.904 -7.735 1.00 50.44 H new ATOM 0 HB1 ALA A 43 22.151 3.634 -9.463 1.00 61.44 H new ATOM 0 HB2 ALA A 43 21.675 2.888 -7.919 1.00 61.44 H new ATOM 0 HB3 ALA A 43 20.984 4.456 -8.399 1.00 61.44 H new ATOM 622 N GLU A 44 24.614 6.283 -8.311 1.00 32.03 N ATOM 623 CA GLU A 44 25.073 7.503 -8.964 1.00 1.23 C ATOM 624 C GLU A 44 25.042 7.352 -10.482 1.00 4.51 C ATOM 625 O GLU A 44 25.509 6.353 -11.027 1.00 5.40 O ATOM 626 CB GLU A 44 26.490 7.852 -8.503 1.00 40.03 C ATOM 627 CG GLU A 44 26.900 9.279 -8.825 1.00 4.21 C ATOM 628 CD GLU A 44 28.287 9.617 -8.313 1.00 63.21 C ATOM 629 OE1 GLU A 44 28.684 9.063 -7.267 1.00 30.45 O ATOM 630 OE2 GLU A 44 28.976 10.435 -8.958 1.00 74.23 O ATOM 0 H GLU A 44 25.320 5.819 -7.739 1.00 32.03 H new ATOM 0 HA GLU A 44 24.398 8.312 -8.683 1.00 1.23 H new ATOM 0 HB2 GLU A 44 26.562 7.696 -7.427 1.00 40.03 H new ATOM 0 HB3 GLU A 44 27.195 7.166 -8.972 1.00 40.03 H new ATOM 0 HG2 GLU A 44 26.869 9.427 -9.904 1.00 4.21 H new ATOM 0 HG3 GLU A 44 26.177 9.968 -8.388 1.00 4.21 H new ATOM 637 N GLY A 45 24.488 8.353 -11.159 1.00 52.32 N ATOM 638 CA GLY A 45 24.405 8.313 -12.607 1.00 42.05 C ATOM 639 C GLY A 45 23.011 7.977 -13.100 1.00 4.24 C ATOM 640 O GLY A 45 22.559 8.508 -14.114 1.00 3.05 O ATOM 0 H GLY A 45 24.095 9.191 -10.730 1.00 52.32 H new ATOM 0 HA2 GLY A 45 24.707 9.279 -13.012 1.00 42.05 H new ATOM 0 HA3 GLY A 45 25.110 7.574 -12.988 1.00 42.05 H new ATOM 644 N ALA A 46 22.329 7.092 -12.381 1.00 21.32 N ATOM 645 CA ALA A 46 20.979 6.686 -12.750 1.00 73.10 C ATOM 646 C ALA A 46 19.935 7.466 -11.957 1.00 61.44 C ATOM 647 O ALA A 46 20.227 8.007 -10.890 1.00 71.13 O ATOM 648 CB ALA A 46 20.799 5.190 -12.534 1.00 44.52 C ATOM 0 H ALA A 46 22.689 6.642 -11.539 1.00 21.32 H new ATOM 0 HA ALA A 46 20.836 6.909 -13.807 1.00 73.10 H new ATOM 0 HB1 ALA A 46 19.786 4.901 -12.814 1.00 44.52 H new ATOM 0 HB2 ALA A 46 21.515 4.645 -13.149 1.00 44.52 H new ATOM 0 HB3 ALA A 46 20.967 4.951 -11.484 1.00 44.52 H new ATOM 654 N THR A 47 18.716 7.520 -12.486 1.00 4.22 N ATOM 655 CA THR A 47 17.630 8.235 -11.829 1.00 12.33 C ATOM 656 C THR A 47 16.611 7.266 -11.240 1.00 13.51 C ATOM 657 O THR A 47 16.179 6.325 -11.904 1.00 74.54 O ATOM 658 CB THR A 47 16.912 9.187 -12.805 1.00 23.23 C ATOM 659 OG1 THR A 47 17.871 10.006 -13.484 1.00 15.03 O ATOM 660 CG2 THR A 47 15.916 10.068 -12.067 1.00 0.41 C ATOM 0 H THR A 47 18.457 7.077 -13.367 1.00 4.22 H new ATOM 0 HA THR A 47 18.078 8.820 -11.026 1.00 12.33 H new ATOM 0 HB THR A 47 16.369 8.585 -13.533 1.00 23.23 H new ATOM 0 HG1 THR A 47 17.407 10.607 -14.104 1.00 15.03 H new ATOM 0 HG21 THR A 47 15.422 10.731 -12.777 1.00 0.41 H new ATOM 0 HG22 THR A 47 15.171 9.442 -11.576 1.00 0.41 H new ATOM 0 HG23 THR A 47 16.441 10.663 -11.319 1.00 0.41 H new ATOM 668 N VAL A 48 16.229 7.504 -9.989 1.00 24.12 N ATOM 669 CA VAL A 48 15.259 6.653 -9.311 1.00 31.22 C ATOM 670 C VAL A 48 13.886 7.315 -9.262 1.00 65.24 C ATOM 671 O VAL A 48 13.721 8.385 -8.675 1.00 25.10 O ATOM 672 CB VAL A 48 15.708 6.323 -7.875 1.00 64.51 C ATOM 673 CG1 VAL A 48 14.662 5.474 -7.170 1.00 34.14 C ATOM 674 CG2 VAL A 48 17.057 5.619 -7.888 1.00 71.31 C ATOM 0 H VAL A 48 16.577 8.279 -9.425 1.00 24.12 H new ATOM 0 HA VAL A 48 15.194 5.729 -9.885 1.00 31.22 H new ATOM 0 HB VAL A 48 15.816 7.257 -7.323 1.00 64.51 H new ATOM 0 HG11 VAL A 48 14.997 5.251 -6.157 1.00 34.14 H new ATOM 0 HG12 VAL A 48 13.719 6.019 -7.129 1.00 34.14 H new ATOM 0 HG13 VAL A 48 14.519 4.543 -7.718 1.00 34.14 H new ATOM 0 HG21 VAL A 48 17.359 5.393 -6.865 1.00 71.31 H new ATOM 0 HG22 VAL A 48 16.978 4.692 -8.456 1.00 71.31 H new ATOM 0 HG23 VAL A 48 17.801 6.267 -8.352 1.00 71.31 H new ATOM 684 N LEU A 49 12.904 6.672 -9.883 1.00 74.01 N ATOM 685 CA LEU A 49 11.543 7.198 -9.911 1.00 21.22 C ATOM 686 C LEU A 49 10.541 6.141 -9.456 1.00 45.05 C ATOM 687 O LEU A 49 10.597 4.990 -9.891 1.00 1.12 O ATOM 688 CB LEU A 49 11.190 7.680 -11.319 1.00 61.51 C ATOM 689 CG LEU A 49 10.189 8.833 -11.403 1.00 23.42 C ATOM 690 CD1 LEU A 49 10.915 10.169 -11.421 1.00 60.00 C ATOM 691 CD2 LEU A 49 9.308 8.685 -12.635 1.00 10.54 C ATOM 0 H LEU A 49 13.024 5.786 -10.374 1.00 74.01 H new ATOM 0 HA LEU A 49 11.491 8.041 -9.222 1.00 21.22 H new ATOM 0 HB2 LEU A 49 12.110 7.987 -11.817 1.00 61.51 H new ATOM 0 HB3 LEU A 49 10.789 6.836 -11.880 1.00 61.51 H new ATOM 0 HG LEU A 49 9.551 8.801 -10.519 1.00 23.42 H new ATOM 0 HD11 LEU A 49 10.187 10.978 -11.481 1.00 60.00 H new ATOM 0 HD12 LEU A 49 11.502 10.276 -10.509 1.00 60.00 H new ATOM 0 HD13 LEU A 49 11.577 10.212 -12.286 1.00 60.00 H new ATOM 0 HD21 LEU A 49 8.602 9.514 -12.679 1.00 10.54 H new ATOM 0 HD22 LEU A 49 9.930 8.691 -13.530 1.00 10.54 H new ATOM 0 HD23 LEU A 49 8.760 7.744 -12.580 1.00 10.54 H new ATOM 703 N CYS A 50 9.624 6.540 -8.581 1.00 65.24 N ATOM 704 CA CYS A 50 8.608 5.629 -8.069 1.00 24.41 C ATOM 705 C CYS A 50 7.208 6.184 -8.310 1.00 51.32 C ATOM 706 O CYS A 50 7.000 7.398 -8.307 1.00 44.11 O ATOM 707 CB CYS A 50 8.821 5.383 -6.574 1.00 0.12 C ATOM 708 SG CYS A 50 8.078 3.837 -5.961 1.00 61.32 S ATOM 0 H CYS A 50 9.564 7.489 -8.212 1.00 65.24 H new ATOM 0 HA CYS A 50 8.701 4.683 -8.603 1.00 24.41 H new ATOM 0 HB2 CYS A 50 9.891 5.365 -6.369 1.00 0.12 H new ATOM 0 HB3 CYS A 50 8.403 6.221 -6.016 1.00 0.12 H new ATOM 713 N CYS A 51 6.250 5.288 -8.519 1.00 35.21 N ATOM 714 CA CYS A 51 4.869 5.686 -8.762 1.00 55.51 C ATOM 715 C CYS A 51 4.029 5.539 -7.496 1.00 51.24 C ATOM 716 O CYS A 51 4.296 4.697 -6.639 1.00 33.10 O ATOM 717 CB CYS A 51 4.264 4.846 -9.889 1.00 1.41 C ATOM 718 SG CYS A 51 5.450 4.388 -11.193 1.00 43.43 S ATOM 0 H CYS A 51 6.405 4.280 -8.525 1.00 35.21 H new ATOM 0 HA CYS A 51 4.867 6.735 -9.059 1.00 55.51 H new ATOM 0 HB2 CYS A 51 3.840 3.937 -9.463 1.00 1.41 H new ATOM 0 HB3 CYS A 51 3.441 5.401 -10.340 1.00 1.41 H new ATOM 723 N PRO A 52 2.989 6.378 -7.376 1.00 31.45 N ATOM 724 CA PRO A 52 2.088 6.360 -6.219 1.00 3.10 C ATOM 725 C PRO A 52 1.212 5.112 -6.185 1.00 43.51 C ATOM 726 O PRO A 52 0.509 4.864 -5.206 1.00 62.35 O ATOM 727 CB PRO A 52 1.229 7.611 -6.419 1.00 45.23 C ATOM 728 CG PRO A 52 1.257 7.858 -7.888 1.00 51.32 C ATOM 729 CD PRO A 52 2.612 7.407 -8.359 1.00 33.32 C ATOM 0 HA PRO A 52 2.635 6.348 -5.277 1.00 3.10 H new ATOM 0 HB2 PRO A 52 0.211 7.453 -6.063 1.00 45.23 H new ATOM 0 HB3 PRO A 52 1.632 8.460 -5.867 1.00 45.23 H new ATOM 0 HG2 PRO A 52 0.465 7.304 -8.392 1.00 51.32 H new ATOM 0 HG3 PRO A 52 1.099 8.913 -8.109 1.00 51.32 H new ATOM 0 HD2 PRO A 52 2.572 7.001 -9.370 1.00 33.32 H new ATOM 0 HD3 PRO A 52 3.327 8.230 -8.374 1.00 33.32 H new ATOM 737 N GLU A 53 1.261 4.332 -7.260 1.00 33.41 N ATOM 738 CA GLU A 53 0.470 3.110 -7.352 1.00 22.33 C ATOM 739 C GLU A 53 1.247 1.917 -6.801 1.00 73.24 C ATOM 740 O GLU A 53 2.372 2.062 -6.324 1.00 64.14 O ATOM 741 CB GLU A 53 0.068 2.844 -8.804 1.00 13.12 C ATOM 742 CG GLU A 53 -1.109 3.683 -9.272 1.00 74.13 C ATOM 743 CD GLU A 53 -0.888 4.283 -10.647 1.00 44.11 C ATOM 744 OE1 GLU A 53 -0.513 3.529 -11.570 1.00 33.14 O ATOM 745 OE2 GLU A 53 -1.088 5.506 -10.801 1.00 3.05 O ATOM 0 H GLU A 53 1.839 4.524 -8.078 1.00 33.41 H new ATOM 0 HA GLU A 53 -0.430 3.244 -6.752 1.00 22.33 H new ATOM 0 HB2 GLU A 53 0.923 3.040 -9.451 1.00 13.12 H new ATOM 0 HB3 GLU A 53 -0.181 1.789 -8.916 1.00 13.12 H new ATOM 0 HG2 GLU A 53 -2.007 3.065 -9.289 1.00 74.13 H new ATOM 0 HG3 GLU A 53 -1.287 4.484 -8.555 1.00 74.13 H new ATOM 752 N ASP A 54 0.637 0.739 -6.871 1.00 32.32 N ATOM 753 CA ASP A 54 1.270 -0.480 -6.380 1.00 71.14 C ATOM 754 C ASP A 54 1.892 -1.269 -7.528 1.00 70.03 C ATOM 755 O ASP A 54 1.350 -1.310 -8.633 1.00 53.35 O ATOM 756 CB ASP A 54 0.250 -1.348 -5.642 1.00 71.41 C ATOM 757 CG ASP A 54 -0.567 -2.210 -6.585 1.00 11.03 C ATOM 758 OD1 ASP A 54 -1.310 -1.643 -7.413 1.00 73.34 O ATOM 759 OD2 ASP A 54 -0.463 -3.451 -6.495 1.00 3.15 O ATOM 0 H ASP A 54 -0.295 0.602 -7.263 1.00 32.32 H new ATOM 0 HA ASP A 54 2.062 -0.195 -5.687 1.00 71.14 H new ATOM 0 HB2 ASP A 54 0.770 -1.987 -4.928 1.00 71.41 H new ATOM 0 HB3 ASP A 54 -0.419 -0.708 -5.068 1.00 71.41 H new ATOM 764 N LEU A 55 3.033 -1.894 -7.260 1.00 2.33 N ATOM 765 CA LEU A 55 3.731 -2.681 -8.270 1.00 74.25 C ATOM 766 C LEU A 55 4.078 -1.825 -9.484 1.00 3.32 C ATOM 767 O LEU A 55 3.626 -2.093 -10.597 1.00 71.41 O ATOM 768 CB LEU A 55 2.871 -3.871 -8.701 1.00 51.22 C ATOM 769 CG LEU A 55 2.508 -4.870 -7.602 1.00 13.53 C ATOM 770 CD1 LEU A 55 1.771 -6.064 -8.188 1.00 24.23 C ATOM 771 CD2 LEU A 55 3.756 -5.322 -6.859 1.00 23.22 C ATOM 0 H LEU A 55 3.495 -1.871 -6.351 1.00 2.33 H new ATOM 0 HA LEU A 55 4.658 -3.049 -7.831 1.00 74.25 H new ATOM 0 HB2 LEU A 55 1.948 -3.488 -9.135 1.00 51.22 H new ATOM 0 HB3 LEU A 55 3.397 -4.406 -9.492 1.00 51.22 H new ATOM 0 HG LEU A 55 1.846 -4.375 -6.891 1.00 13.53 H new ATOM 0 HD11 LEU A 55 1.521 -6.764 -7.391 1.00 24.23 H new ATOM 0 HD12 LEU A 55 0.856 -5.724 -8.673 1.00 24.23 H new ATOM 0 HD13 LEU A 55 2.407 -6.561 -8.921 1.00 24.23 H new ATOM 0 HD21 LEU A 55 3.479 -6.033 -6.080 1.00 23.22 H new ATOM 0 HD22 LEU A 55 4.443 -5.799 -7.558 1.00 23.22 H new ATOM 0 HD23 LEU A 55 4.242 -4.458 -6.405 1.00 23.22 H new ATOM 783 N CYS A 56 4.886 -0.794 -9.262 1.00 5.44 N ATOM 784 CA CYS A 56 5.297 0.102 -10.336 1.00 43.01 C ATOM 785 C CYS A 56 6.695 -0.252 -10.835 1.00 62.40 C ATOM 786 O CYS A 56 7.081 0.114 -11.944 1.00 73.13 O ATOM 787 CB CYS A 56 5.268 1.555 -9.857 1.00 21.33 C ATOM 788 SG CYS A 56 5.773 2.765 -11.121 1.00 11.20 S ATOM 0 H CYS A 56 5.270 -0.558 -8.347 1.00 5.44 H new ATOM 0 HA CYS A 56 4.595 -0.016 -11.161 1.00 43.01 H new ATOM 0 HB2 CYS A 56 4.259 1.796 -9.522 1.00 21.33 H new ATOM 0 HB3 CYS A 56 5.924 1.654 -8.992 1.00 21.33 H new ATOM 793 N ASN A 57 7.449 -0.968 -10.007 1.00 3.02 N ATOM 794 CA ASN A 57 8.804 -1.372 -10.363 1.00 65.03 C ATOM 795 C ASN A 57 8.857 -2.858 -10.703 1.00 63.43 C ATOM 796 O ASN A 57 7.914 -3.409 -11.271 1.00 0.03 O ATOM 797 CB ASN A 57 9.769 -1.065 -9.216 1.00 31.31 C ATOM 798 CG ASN A 57 9.529 -1.949 -8.007 1.00 12.21 C ATOM 799 OD1 ASN A 57 8.424 -1.993 -7.466 1.00 73.02 O ATOM 800 ND2 ASN A 57 10.566 -2.658 -7.577 1.00 42.30 N ATOM 0 H ASN A 57 7.144 -1.280 -9.085 1.00 3.02 H new ATOM 0 HA ASN A 57 9.105 -0.805 -11.244 1.00 65.03 H new ATOM 0 HB2 ASN A 57 10.794 -1.197 -9.562 1.00 31.31 H new ATOM 0 HB3 ASN A 57 9.663 -0.020 -8.925 1.00 31.31 H new ATOM 0 HD21 ASN A 57 10.465 -3.270 -6.767 1.00 42.30 H new ATOM 0 HD22 ASN A 57 11.464 -2.591 -8.056 1.00 42.30 H new TER 807 ASN A 57