USER MOD reduce.3.24.130724 H: found=0, std=0, add=381, rem=0, adj=14 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= -24.9! USER MOD Set 1.2: A 40 CYS SG : rot 152:sc= -26.1! 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= 1.33 USER MOD Single : A 1 LEU N :NH3+ 173:sc= 0.335 (180deg=0.314) USER MOD Single : A 2 GLN :FLIP amide:sc= -0.162 F(o=-1.3,f=-0.16) USER MOD Single : A 4 ASN :FLIP amide:sc= -1.89 F(o=-2.4,f=-1.9) USER MOD Single : A 5 THR OG1 : rot -49:sc= 0.98 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 ASN : amide:sc= -0.45 K(o=-0.45,f=-1) USER MOD Single : A 23 HIS : no HD1:sc= -2.16 X(o=-2.2,f=-1.9) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 TYR OH : rot -93:sc= 0.331 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 SER OG : rot 19:sc= 1.18 USER MOD Single : A 37 GLN :FLIP amide:sc= -0.678 F(o=-1.8!,f=-0.68) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 ASN : amide:sc= -1.44 K(o=-1.4,f=-6.2!) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 1.580 -0.030 0.095 1.00 52.11 N ATOM 2 CA LEU A 1 1.992 -0.193 -1.295 1.00 55.11 C ATOM 3 C LEU A 1 2.604 -1.571 -1.524 1.00 0.04 C ATOM 4 O LEU A 1 2.830 -2.324 -0.577 1.00 71.31 O ATOM 5 CB LEU A 1 2.996 0.895 -1.681 1.00 32.50 C ATOM 6 CG LEU A 1 2.888 1.431 -3.109 1.00 5.12 C ATOM 7 CD1 LEU A 1 1.674 2.335 -3.249 1.00 53.24 C ATOM 8 CD2 LEU A 1 4.158 2.176 -3.495 1.00 53.33 C ATOM 0 H1 LEU A 1 1.277 0.952 0.254 1.00 52.11 H new ATOM 0 H2 LEU A 1 0.790 -0.674 0.301 1.00 52.11 H new ATOM 0 H3 LEU A 1 2.379 -0.252 0.722 1.00 52.11 H new ATOM 0 HA LEU A 1 1.106 -0.101 -1.924 1.00 55.11 H new ATOM 0 HB2 LEU A 1 2.879 1.731 -0.991 1.00 32.50 H new ATOM 0 HB3 LEU A 1 4.002 0.501 -1.537 1.00 32.50 H new ATOM 0 HG LEU A 1 2.766 0.586 -3.787 1.00 5.12 H new ATOM 0 HD11 LEU A 1 1.613 2.707 -4.272 1.00 53.24 H new ATOM 0 HD12 LEU A 1 0.771 1.771 -3.014 1.00 53.24 H new ATOM 0 HD13 LEU A 1 1.766 3.176 -2.562 1.00 53.24 H new ATOM 0 HD21 LEU A 1 4.064 2.551 -4.514 1.00 53.33 H new ATOM 0 HD22 LEU A 1 4.311 3.013 -2.813 1.00 53.33 H new ATOM 0 HD23 LEU A 1 5.010 1.499 -3.434 1.00 53.33 H new ATOM 20 N GLN A 2 2.872 -1.892 -2.785 1.00 72.02 N ATOM 21 CA GLN A 2 3.460 -3.179 -3.137 1.00 71.11 C ATOM 22 C GLN A 2 4.627 -2.999 -4.102 1.00 40.31 C ATOM 23 O GLN A 2 4.652 -2.056 -4.894 1.00 74.11 O ATOM 24 CB GLN A 2 2.404 -4.093 -3.761 1.00 15.21 C ATOM 25 CG GLN A 2 1.992 -5.249 -2.863 1.00 42.42 C ATOM 26 CD GLN A 2 1.156 -6.283 -3.590 1.00 54.11 C ATOM 27 OE1 GLN A 2 1.749 -6.933 -4.584 1.00 11.30 O flip ATOM 28 NE2 GLN A 2 -0.012 -6.496 -3.262 1.00 44.22 N flip ATOM 0 H GLN A 2 2.691 -1.279 -3.580 1.00 72.02 H new ATOM 0 HA GLN A 2 3.835 -3.640 -2.223 1.00 71.11 H new ATOM 0 HB2 GLN A 2 1.522 -3.501 -4.005 1.00 15.21 H new ATOM 0 HB3 GLN A 2 2.790 -4.492 -4.699 1.00 15.21 H new ATOM 0 HG2 GLN A 2 2.885 -5.727 -2.460 1.00 42.42 H new ATOM 0 HG3 GLN A 2 1.427 -4.862 -2.015 1.00 42.42 H new ATOM 0 HE21 GLN A 2 -0.429 -5.973 -2.492 1.00 44.22 H new ATOM 0 HE22 GLN A 2 -0.562 -7.195 -3.761 1.00 44.22 H new ATOM 37 N CYS A 3 5.593 -3.908 -4.030 1.00 45.24 N ATOM 38 CA CYS A 3 6.765 -3.850 -4.897 1.00 13.54 C ATOM 39 C CYS A 3 7.118 -5.236 -5.427 1.00 45.11 C ATOM 40 O CYS A 3 6.971 -6.236 -4.726 1.00 4.01 O ATOM 41 CB CYS A 3 7.957 -3.262 -4.139 1.00 12.04 C ATOM 42 SG CYS A 3 7.543 -1.822 -3.103 1.00 15.05 S ATOM 0 H CYS A 3 5.588 -4.694 -3.380 1.00 45.24 H new ATOM 0 HA CYS A 3 6.529 -3.206 -5.744 1.00 13.54 H new ATOM 0 HB2 CYS A 3 8.391 -4.038 -3.508 1.00 12.04 H new ATOM 0 HB3 CYS A 3 8.723 -2.971 -4.858 1.00 12.04 H new ATOM 47 N ASN A 4 7.586 -5.286 -6.670 1.00 71.13 N ATOM 48 CA ASN A 4 7.961 -6.549 -7.295 1.00 74.34 C ATOM 49 C ASN A 4 9.364 -6.971 -6.871 1.00 20.10 C ATOM 50 O ASN A 4 10.142 -6.162 -6.365 1.00 12.44 O ATOM 51 CB ASN A 4 7.891 -6.429 -8.819 1.00 42.41 C ATOM 52 CG ASN A 4 6.532 -5.959 -9.301 1.00 1.45 C ATOM 53 OD1 ASN A 4 6.308 -4.651 -9.253 1.00 64.24 O flip ATOM 54 ND2 ASN A 4 5.694 -6.762 -9.710 1.00 14.41 N flip ATOM 0 H ASN A 4 7.715 -4.467 -7.264 1.00 71.13 H new ATOM 0 HA ASN A 4 7.256 -7.312 -6.965 1.00 74.34 H new ATOM 0 HB2 ASN A 4 8.656 -5.732 -9.161 1.00 42.41 H new ATOM 0 HB3 ASN A 4 8.118 -7.396 -9.268 1.00 42.41 H new ATOM 0 HD21 ASN A 4 5.910 -7.759 -9.729 1.00 14.41 H new ATOM 0 HD22 ASN A 4 4.784 -6.431 -10.030 1.00 14.41 H new ATOM 61 N THR A 5 9.682 -8.245 -7.081 1.00 44.34 N ATOM 62 CA THR A 5 10.991 -8.775 -6.721 1.00 1.14 C ATOM 63 C THR A 5 11.654 -9.460 -7.910 1.00 73.12 C ATOM 64 O THR A 5 10.991 -9.804 -8.890 1.00 20.10 O ATOM 65 CB THR A 5 10.889 -9.778 -5.556 1.00 63.12 C ATOM 66 OG1 THR A 5 10.040 -10.871 -5.924 1.00 2.11 O ATOM 67 CG2 THR A 5 10.344 -9.103 -4.307 1.00 34.42 C ATOM 0 H THR A 5 9.051 -8.929 -7.499 1.00 44.34 H new ATOM 0 HA THR A 5 11.600 -7.927 -6.409 1.00 1.14 H new ATOM 0 HB THR A 5 11.889 -10.153 -5.339 1.00 63.12 H new ATOM 0 HG1 THR A 5 9.208 -10.524 -6.309 1.00 2.11 H new ATOM 0 HG21 THR A 5 10.281 -9.831 -3.498 1.00 34.42 H new ATOM 0 HG22 THR A 5 11.009 -8.291 -4.013 1.00 34.42 H new ATOM 0 HG23 THR A 5 9.351 -8.703 -4.513 1.00 34.42 H new ATOM 75 N LEU A 6 12.964 -9.657 -7.819 1.00 43.41 N ATOM 76 CA LEU A 6 13.717 -10.302 -8.889 1.00 24.54 C ATOM 77 C LEU A 6 13.304 -11.763 -9.040 1.00 43.13 C ATOM 78 O LEU A 6 13.495 -12.366 -10.097 1.00 13.32 O ATOM 79 CB LEU A 6 15.219 -10.212 -8.609 1.00 14.41 C ATOM 80 CG LEU A 6 15.782 -11.241 -7.629 1.00 22.02 C ATOM 81 CD1 LEU A 6 16.256 -12.481 -8.371 1.00 21.01 C ATOM 82 CD2 LEU A 6 16.918 -10.637 -6.816 1.00 30.23 C ATOM 0 H LEU A 6 13.527 -9.379 -7.015 1.00 43.41 H new ATOM 0 HA LEU A 6 13.495 -9.782 -9.821 1.00 24.54 H new ATOM 0 HB2 LEU A 6 15.751 -10.312 -9.555 1.00 14.41 H new ATOM 0 HB3 LEU A 6 15.437 -9.216 -8.224 1.00 14.41 H new ATOM 0 HG LEU A 6 14.987 -11.535 -6.943 1.00 22.02 H new ATOM 0 HD11 LEU A 6 16.654 -13.202 -7.657 1.00 21.01 H new ATOM 0 HD12 LEU A 6 15.418 -12.926 -8.908 1.00 21.01 H new ATOM 0 HD13 LEU A 6 17.036 -12.205 -9.080 1.00 21.01 H new ATOM 0 HD21 LEU A 6 17.307 -11.384 -6.124 1.00 30.23 H new ATOM 0 HD22 LEU A 6 17.714 -10.315 -7.487 1.00 30.23 H new ATOM 0 HD23 LEU A 6 16.548 -9.779 -6.254 1.00 30.23 H new ATOM 94 N ASP A 7 12.736 -12.325 -7.979 1.00 44.11 N ATOM 95 CA ASP A 7 12.293 -13.714 -7.995 1.00 32.01 C ATOM 96 C ASP A 7 10.983 -13.857 -8.763 1.00 72.44 C ATOM 97 O ASP A 7 10.490 -14.966 -8.969 1.00 41.30 O ATOM 98 CB ASP A 7 12.120 -14.233 -6.567 1.00 0.14 C ATOM 99 CG ASP A 7 12.365 -15.725 -6.459 1.00 62.11 C ATOM 100 OD1 ASP A 7 13.545 -16.130 -6.412 1.00 23.24 O ATOM 101 OD2 ASP A 7 11.377 -16.488 -6.423 1.00 72.13 O ATOM 0 H ASP A 7 12.571 -11.840 -7.097 1.00 44.11 H new ATOM 0 HA ASP A 7 13.056 -14.307 -8.499 1.00 32.01 H new ATOM 0 HB2 ASP A 7 12.808 -13.706 -5.906 1.00 0.14 H new ATOM 0 HB3 ASP A 7 11.111 -14.008 -6.221 1.00 0.14 H new ATOM 106 N GLY A 8 10.423 -12.727 -9.185 1.00 31.41 N ATOM 107 CA GLY A 8 9.175 -12.749 -9.925 1.00 15.04 C ATOM 108 C GLY A 8 7.963 -12.627 -9.021 1.00 62.25 C ATOM 109 O GLY A 8 6.835 -12.506 -9.497 1.00 42.31 O ATOM 0 H GLY A 8 10.811 -11.797 -9.027 1.00 31.41 H new ATOM 0 HA2 GLY A 8 9.170 -11.932 -10.647 1.00 15.04 H new ATOM 0 HA3 GLY A 8 9.109 -13.677 -10.493 1.00 15.04 H new ATOM 113 N GLY A 9 8.197 -12.662 -7.713 1.00 14.52 N ATOM 114 CA GLY A 9 7.106 -12.555 -6.762 1.00 14.22 C ATOM 115 C GLY A 9 6.813 -11.119 -6.373 1.00 65.04 C ATOM 116 O GLY A 9 7.501 -10.196 -6.812 1.00 24.33 O ATOM 0 H GLY A 9 9.122 -12.762 -7.295 1.00 14.52 H new ATOM 0 HA2 GLY A 9 6.209 -13.002 -7.191 1.00 14.22 H new ATOM 0 HA3 GLY A 9 7.351 -13.128 -5.867 1.00 14.22 H new ATOM 120 N THR A 10 5.788 -10.927 -5.549 1.00 23.42 N ATOM 121 CA THR A 10 5.404 -9.594 -5.104 1.00 4.23 C ATOM 122 C THR A 10 5.575 -9.447 -3.596 1.00 32.20 C ATOM 123 O THR A 10 5.358 -10.396 -2.843 1.00 61.01 O ATOM 124 CB THR A 10 3.944 -9.275 -5.477 1.00 63.52 C ATOM 125 OG1 THR A 10 3.160 -10.473 -5.452 1.00 32.14 O ATOM 126 CG2 THR A 10 3.865 -8.641 -6.857 1.00 50.44 C ATOM 0 H THR A 10 5.208 -11.679 -5.176 1.00 23.42 H new ATOM 0 HA THR A 10 6.063 -8.890 -5.612 1.00 4.23 H new ATOM 0 HB THR A 10 3.551 -8.568 -4.746 1.00 63.52 H new ATOM 0 HG1 THR A 10 2.233 -10.262 -5.688 1.00 32.14 H new ATOM 0 HG21 THR A 10 2.824 -8.425 -7.099 1.00 50.44 H new ATOM 0 HG22 THR A 10 4.440 -7.715 -6.865 1.00 50.44 H new ATOM 0 HG23 THR A 10 4.274 -9.329 -7.597 1.00 50.44 H new ATOM 134 N GLU A 11 5.963 -8.252 -3.162 1.00 65.23 N ATOM 135 CA GLU A 11 6.163 -7.983 -1.743 1.00 54.11 C ATOM 136 C GLU A 11 5.363 -6.760 -1.304 1.00 11.31 C ATOM 137 O GLU A 11 5.176 -5.819 -2.075 1.00 34.12 O ATOM 138 CB GLU A 11 7.648 -7.768 -1.446 1.00 21.45 C ATOM 139 CG GLU A 11 8.239 -6.553 -2.140 1.00 14.21 C ATOM 140 CD GLU A 11 9.454 -6.002 -1.419 1.00 34.01 C ATOM 141 OE1 GLU A 11 9.989 -6.704 -0.536 1.00 63.12 O ATOM 142 OE2 GLU A 11 9.869 -4.868 -1.738 1.00 73.23 O ATOM 0 H GLU A 11 6.145 -7.455 -3.772 1.00 65.23 H new ATOM 0 HA GLU A 11 5.810 -8.848 -1.182 1.00 54.11 H new ATOM 0 HB2 GLU A 11 7.783 -7.662 -0.370 1.00 21.45 H new ATOM 0 HB3 GLU A 11 8.203 -8.655 -1.751 1.00 21.45 H new ATOM 0 HG2 GLU A 11 8.517 -6.821 -3.159 1.00 14.21 H new ATOM 0 HG3 GLU A 11 7.479 -5.775 -2.211 1.00 14.21 H new ATOM 149 N GLU A 12 4.894 -6.782 -0.060 1.00 52.13 N ATOM 150 CA GLU A 12 4.113 -5.675 0.481 1.00 62.52 C ATOM 151 C GLU A 12 5.023 -4.625 1.111 1.00 52.54 C ATOM 152 O GLU A 12 5.649 -4.867 2.143 1.00 61.13 O ATOM 153 CB GLU A 12 3.113 -6.188 1.519 1.00 55.21 C ATOM 154 CG GLU A 12 2.186 -7.269 0.989 1.00 22.52 C ATOM 155 CD GLU A 12 0.927 -7.418 1.821 1.00 22.11 C ATOM 156 OE1 GLU A 12 0.344 -6.382 2.204 1.00 22.12 O ATOM 157 OE2 GLU A 12 0.525 -8.569 2.089 1.00 20.44 O ATOM 0 H GLU A 12 5.041 -7.553 0.591 1.00 52.13 H new ATOM 0 HA GLU A 12 3.567 -5.212 -0.341 1.00 62.52 H new ATOM 0 HB2 GLU A 12 3.661 -6.579 2.376 1.00 55.21 H new ATOM 0 HB3 GLU A 12 2.514 -5.351 1.878 1.00 55.21 H new ATOM 0 HG2 GLU A 12 1.912 -7.035 -0.040 1.00 22.52 H new ATOM 0 HG3 GLU A 12 2.718 -8.220 0.968 1.00 22.52 H new ATOM 164 N CYS A 13 5.091 -3.456 0.482 1.00 70.14 N ATOM 165 CA CYS A 13 5.924 -2.367 0.978 1.00 71.32 C ATOM 166 C CYS A 13 5.145 -1.486 1.950 1.00 52.23 C ATOM 167 O CYS A 13 4.214 -0.783 1.556 1.00 54.21 O ATOM 168 CB CYS A 13 6.445 -1.524 -0.188 1.00 12.14 C ATOM 169 SG CYS A 13 7.520 -2.435 -1.342 1.00 52.44 S ATOM 0 H CYS A 13 4.579 -3.239 -0.373 1.00 70.14 H new ATOM 0 HA CYS A 13 6.770 -2.802 1.509 1.00 71.32 H new ATOM 0 HB2 CYS A 13 5.595 -1.122 -0.740 1.00 12.14 H new ATOM 0 HB3 CYS A 13 6.997 -0.673 0.211 1.00 12.14 H new ATOM 174 N ILE A 14 5.533 -1.529 3.220 1.00 55.02 N ATOM 175 CA ILE A 14 4.872 -0.734 4.247 1.00 13.32 C ATOM 176 C ILE A 14 5.229 0.743 4.114 1.00 23.32 C ATOM 177 O ILE A 14 6.351 1.106 3.761 1.00 64.12 O ATOM 178 CB ILE A 14 5.247 -1.216 5.661 1.00 43.12 C ATOM 179 CG1 ILE A 14 6.762 -1.145 5.862 1.00 65.13 C ATOM 180 CG2 ILE A 14 4.743 -2.633 5.888 1.00 20.23 C ATOM 181 CD1 ILE A 14 7.213 -1.606 7.230 1.00 33.22 C ATOM 0 H ILE A 14 6.302 -2.106 3.562 1.00 55.02 H new ATOM 0 HA ILE A 14 3.799 -0.861 4.102 1.00 13.32 H new ATOM 0 HB ILE A 14 4.771 -0.561 6.391 1.00 43.12 H new ATOM 0 HG12 ILE A 14 7.250 -1.756 5.103 1.00 65.13 H new ATOM 0 HG13 ILE A 14 7.093 -0.118 5.706 1.00 65.13 H new ATOM 0 HG21 ILE A 14 5.016 -2.960 6.892 1.00 20.23 H new ATOM 0 HG22 ILE A 14 3.658 -2.655 5.781 1.00 20.23 H new ATOM 0 HG23 ILE A 14 5.193 -3.301 5.154 1.00 20.23 H new ATOM 0 HD11 ILE A 14 8.298 -1.528 7.301 1.00 33.22 H new ATOM 0 HD12 ILE A 14 6.754 -0.980 7.995 1.00 33.22 H new ATOM 0 HD13 ILE A 14 6.913 -2.643 7.382 1.00 33.22 H new ATOM 193 N PRO A 15 4.254 1.616 4.405 1.00 0.34 N ATOM 194 CA PRO A 15 4.442 3.068 4.328 1.00 25.00 C ATOM 195 C PRO A 15 5.371 3.591 5.419 1.00 72.02 C ATOM 196 O PRO A 15 4.921 3.987 6.493 1.00 11.11 O ATOM 197 CB PRO A 15 3.028 3.620 4.520 1.00 53.12 C ATOM 198 CG PRO A 15 2.310 2.564 5.287 1.00 32.00 C ATOM 199 CD PRO A 15 2.892 1.254 4.833 1.00 3.11 C ATOM 0 HA PRO A 15 4.908 3.369 3.390 1.00 25.00 H new ATOM 0 HB2 PRO A 15 3.042 4.564 5.064 1.00 53.12 H new ATOM 0 HB3 PRO A 15 2.544 3.812 3.562 1.00 53.12 H new ATOM 0 HG2 PRO A 15 2.446 2.700 6.360 1.00 32.00 H new ATOM 0 HG3 PRO A 15 1.238 2.602 5.094 1.00 32.00 H new ATOM 0 HD2 PRO A 15 2.906 0.520 5.638 1.00 3.11 H new ATOM 0 HD3 PRO A 15 2.316 0.820 4.016 1.00 3.11 H new ATOM 207 N GLY A 16 6.670 3.590 5.135 1.00 31.30 N ATOM 208 CA GLY A 16 7.641 4.067 6.102 1.00 31.22 C ATOM 209 C GLY A 16 9.049 3.601 5.788 1.00 11.41 C ATOM 210 O GLY A 16 9.911 4.406 5.435 1.00 4.43 O ATOM 0 H GLY A 16 7.067 3.267 4.253 1.00 31.30 H new ATOM 0 HA2 GLY A 16 7.619 5.156 6.127 1.00 31.22 H new ATOM 0 HA3 GLY A 16 7.360 3.720 7.096 1.00 31.22 H new ATOM 214 N ILE A 17 9.283 2.300 5.918 1.00 71.13 N ATOM 215 CA ILE A 17 10.596 1.730 5.646 1.00 64.45 C ATOM 216 C ILE A 17 10.923 1.787 4.157 1.00 1.41 C ATOM 217 O ILE A 17 12.071 2.007 3.771 1.00 44.30 O ATOM 218 CB ILE A 17 10.685 0.268 6.123 1.00 45.12 C ATOM 219 CG1 ILE A 17 10.226 0.155 7.578 1.00 61.01 C ATOM 220 CG2 ILE A 17 12.106 -0.254 5.968 1.00 21.01 C ATOM 221 CD1 ILE A 17 10.266 -1.258 8.116 1.00 21.11 C ATOM 0 H ILE A 17 8.580 1.621 6.210 1.00 71.13 H new ATOM 0 HA ILE A 17 11.320 2.329 6.198 1.00 64.45 H new ATOM 0 HB ILE A 17 10.025 -0.341 5.505 1.00 45.12 H new ATOM 0 HG12 ILE A 17 10.857 0.790 8.200 1.00 61.01 H new ATOM 0 HG13 ILE A 17 9.209 0.538 7.660 1.00 61.01 H new ATOM 0 HG21 ILE A 17 12.153 -1.288 6.309 1.00 21.01 H new ATOM 0 HG22 ILE A 17 12.400 -0.204 4.919 1.00 21.01 H new ATOM 0 HG23 ILE A 17 12.785 0.356 6.564 1.00 21.01 H new ATOM 0 HD11 ILE A 17 9.928 -1.263 9.152 1.00 21.11 H new ATOM 0 HD12 ILE A 17 9.613 -1.894 7.518 1.00 21.11 H new ATOM 0 HD13 ILE A 17 11.287 -1.638 8.066 1.00 21.11 H new ATOM 233 N TYR A 18 9.906 1.590 3.326 1.00 51.21 N ATOM 234 CA TYR A 18 10.085 1.619 1.879 1.00 15.21 C ATOM 235 C TYR A 18 9.120 2.608 1.231 1.00 45.11 C ATOM 236 O TYR A 18 7.908 2.403 1.235 1.00 35.11 O ATOM 237 CB TYR A 18 9.873 0.223 1.290 1.00 5.41 C ATOM 238 CG TYR A 18 10.576 -0.872 2.061 1.00 54.41 C ATOM 239 CD1 TYR A 18 11.917 -0.756 2.403 1.00 65.51 C ATOM 240 CD2 TYR A 18 9.898 -2.021 2.446 1.00 32.53 C ATOM 241 CE1 TYR A 18 12.563 -1.755 3.106 1.00 4.45 C ATOM 242 CE2 TYR A 18 10.535 -3.024 3.151 1.00 2.13 C ATOM 243 CZ TYR A 18 11.868 -2.886 3.479 1.00 70.02 C ATOM 244 OH TYR A 18 12.507 -3.883 4.180 1.00 71.02 O ATOM 0 H TYR A 18 8.949 1.409 3.629 1.00 51.21 H new ATOM 0 HA TYR A 18 11.105 1.943 1.671 1.00 15.21 H new ATOM 0 HB2 TYR A 18 8.805 0.008 1.262 1.00 5.41 H new ATOM 0 HB3 TYR A 18 10.227 0.215 0.259 1.00 5.41 H new ATOM 0 HD1 TYR A 18 12.464 0.130 2.115 1.00 65.51 H new ATOM 0 HD2 TYR A 18 8.855 -2.133 2.190 1.00 32.53 H new ATOM 0 HE1 TYR A 18 13.607 -1.650 3.362 1.00 4.45 H new ATOM 0 HE2 TYR A 18 9.993 -3.911 3.444 1.00 2.13 H new ATOM 0 HH TYR A 18 11.875 -4.609 4.366 1.00 71.02 H new ATOM 254 N ASN A 19 9.671 3.682 0.674 1.00 73.05 N ATOM 255 CA ASN A 19 8.861 4.704 0.021 1.00 52.05 C ATOM 256 C ASN A 19 9.241 4.841 -1.451 1.00 15.13 C ATOM 257 O ASN A 19 8.539 5.491 -2.226 1.00 42.12 O ATOM 258 CB ASN A 19 9.030 6.049 0.730 1.00 23.11 C ATOM 259 CG ASN A 19 10.452 6.277 1.205 1.00 64.01 C ATOM 260 OD1 ASN A 19 10.895 5.677 2.184 1.00 23.13 O ATOM 261 ND2 ASN A 19 11.175 7.148 0.511 1.00 42.24 N ATOM 0 H ASN A 19 10.674 3.867 0.662 1.00 73.05 H new ATOM 0 HA ASN A 19 7.817 4.398 0.082 1.00 52.05 H new ATOM 0 HB2 ASN A 19 8.743 6.853 0.052 1.00 23.11 H new ATOM 0 HB3 ASN A 19 8.353 6.095 1.583 1.00 23.11 H new ATOM 0 HD21 ASN A 19 12.139 7.342 0.783 1.00 42.24 H new ATOM 0 HD22 ASN A 19 10.767 7.623 -0.294 1.00 42.24 H new ATOM 268 N VAL A 20 10.355 4.224 -1.829 1.00 25.34 N ATOM 269 CA VAL A 20 10.828 4.275 -3.207 1.00 22.11 C ATOM 270 C VAL A 20 10.817 2.890 -3.843 1.00 65.33 C ATOM 271 O VAL A 20 10.552 1.890 -3.176 1.00 35.42 O ATOM 272 CB VAL A 20 12.252 4.855 -3.291 1.00 5.35 C ATOM 273 CG1 VAL A 20 12.266 6.306 -2.833 1.00 71.11 C ATOM 274 CG2 VAL A 20 13.218 4.018 -2.465 1.00 13.32 C ATOM 0 H VAL A 20 10.948 3.682 -1.200 1.00 25.34 H new ATOM 0 HA VAL A 20 10.146 4.927 -3.752 1.00 22.11 H new ATOM 0 HB VAL A 20 12.577 4.824 -4.331 1.00 5.35 H new ATOM 0 HG11 VAL A 20 13.281 6.699 -2.899 1.00 71.11 H new ATOM 0 HG12 VAL A 20 11.606 6.895 -3.470 1.00 71.11 H new ATOM 0 HG13 VAL A 20 11.921 6.365 -1.801 1.00 71.11 H new ATOM 0 HG21 VAL A 20 14.220 4.442 -2.536 1.00 13.32 H new ATOM 0 HG22 VAL A 20 12.898 4.015 -1.423 1.00 13.32 H new ATOM 0 HG23 VAL A 20 13.229 2.996 -2.844 1.00 13.32 H new ATOM 284 N CYS A 21 11.109 2.838 -5.139 1.00 31.53 N ATOM 285 CA CYS A 21 11.133 1.575 -5.867 1.00 43.04 C ATOM 286 C CYS A 21 11.987 1.690 -7.127 1.00 4.23 C ATOM 287 O CYS A 21 11.982 2.720 -7.802 1.00 22.24 O ATOM 288 CB CYS A 21 9.712 1.149 -6.239 1.00 54.23 C ATOM 289 SG CYS A 21 8.700 2.483 -6.958 1.00 62.35 S ATOM 0 H CYS A 21 11.332 3.656 -5.706 1.00 31.53 H new ATOM 0 HA CYS A 21 11.573 0.819 -5.217 1.00 43.04 H new ATOM 0 HB2 CYS A 21 9.766 0.325 -6.950 1.00 54.23 H new ATOM 0 HB3 CYS A 21 9.213 0.769 -5.348 1.00 54.23 H new ATOM 294 N VAL A 22 12.721 0.626 -7.437 1.00 74.32 N ATOM 295 CA VAL A 22 13.579 0.606 -8.616 1.00 31.14 C ATOM 296 C VAL A 22 13.428 -0.703 -9.383 1.00 45.32 C ATOM 297 O VAL A 22 13.345 -1.778 -8.788 1.00 53.24 O ATOM 298 CB VAL A 22 15.059 0.798 -8.235 1.00 40.02 C ATOM 299 CG1 VAL A 22 15.966 0.190 -9.294 1.00 51.23 C ATOM 300 CG2 VAL A 22 15.371 2.274 -8.038 1.00 33.23 C ATOM 0 H VAL A 22 12.739 -0.233 -6.888 1.00 74.32 H new ATOM 0 HA VAL A 22 13.265 1.434 -9.251 1.00 31.14 H new ATOM 0 HB VAL A 22 15.244 0.282 -7.293 1.00 40.02 H new ATOM 0 HG11 VAL A 22 17.008 0.335 -9.008 1.00 51.23 H new ATOM 0 HG12 VAL A 22 15.759 -0.877 -9.381 1.00 51.23 H new ATOM 0 HG13 VAL A 22 15.782 0.675 -10.253 1.00 51.23 H new ATOM 0 HG21 VAL A 22 16.421 2.391 -7.769 1.00 33.23 H new ATOM 0 HG22 VAL A 22 15.171 2.815 -8.963 1.00 33.23 H new ATOM 0 HG23 VAL A 22 14.745 2.675 -7.240 1.00 33.23 H new ATOM 310 N HIS A 23 13.395 -0.605 -10.708 1.00 44.44 N ATOM 311 CA HIS A 23 13.256 -1.782 -11.559 1.00 1.52 C ATOM 312 C HIS A 23 14.398 -1.861 -12.568 1.00 55.51 C ATOM 313 O HIS A 23 14.520 -1.009 -13.449 1.00 64.21 O ATOM 314 CB HIS A 23 11.914 -1.752 -12.290 1.00 71.25 C ATOM 315 CG HIS A 23 11.784 -2.806 -13.346 1.00 62.35 C ATOM 316 ND1 HIS A 23 10.968 -2.670 -14.449 1.00 60.35 N ATOM 317 CD2 HIS A 23 12.374 -4.019 -13.464 1.00 45.33 C ATOM 318 CE1 HIS A 23 11.060 -3.754 -15.199 1.00 64.12 C ATOM 319 NE2 HIS A 23 11.908 -4.588 -14.624 1.00 0.22 N ATOM 0 H HIS A 23 13.463 0.277 -11.216 1.00 44.44 H new ATOM 0 HA HIS A 23 13.295 -2.667 -10.924 1.00 1.52 H new ATOM 0 HB2 HIS A 23 11.111 -1.876 -11.564 1.00 71.25 H new ATOM 0 HB3 HIS A 23 11.781 -0.772 -12.748 1.00 71.25 H new ATOM 0 HD2 HIS A 23 13.080 -4.458 -12.774 1.00 45.33 H new ATOM 0 HE1 HIS A 23 10.532 -3.929 -16.125 1.00 64.12 H new ATOM 0 HE2 HIS A 23 12.173 -5.505 -14.983 1.00 0.22 H new ATOM 327 N TYR A 24 15.230 -2.887 -12.433 1.00 40.21 N ATOM 328 CA TYR A 24 16.363 -3.075 -13.331 1.00 43.11 C ATOM 329 C TYR A 24 16.068 -4.161 -14.361 1.00 53.21 C ATOM 330 O TYR A 24 15.894 -5.330 -14.017 1.00 11.05 O ATOM 331 CB TYR A 24 17.617 -3.440 -12.534 1.00 40.24 C ATOM 332 CG TYR A 24 18.883 -3.435 -13.362 1.00 12.35 C ATOM 333 CD1 TYR A 24 19.139 -4.443 -14.282 1.00 73.22 C ATOM 334 CD2 TYR A 24 19.822 -2.421 -13.223 1.00 4.53 C ATOM 335 CE1 TYR A 24 20.294 -4.443 -15.039 1.00 42.23 C ATOM 336 CE2 TYR A 24 20.980 -2.411 -13.977 1.00 20.24 C ATOM 337 CZ TYR A 24 21.212 -3.425 -14.883 1.00 54.31 C ATOM 338 OH TYR A 24 22.363 -3.420 -15.636 1.00 41.04 O ATOM 0 H TYR A 24 15.141 -3.601 -11.710 1.00 40.21 H new ATOM 0 HA TYR A 24 16.535 -2.137 -13.858 1.00 43.11 H new ATOM 0 HB2 TYR A 24 17.730 -2.737 -11.708 1.00 40.24 H new ATOM 0 HB3 TYR A 24 17.484 -4.429 -12.095 1.00 40.24 H new ATOM 0 HD1 TYR A 24 18.422 -5.241 -14.408 1.00 73.22 H new ATOM 0 HD2 TYR A 24 19.644 -1.627 -12.513 1.00 4.53 H new ATOM 0 HE1 TYR A 24 20.478 -5.236 -15.749 1.00 42.23 H new ATOM 0 HE2 TYR A 24 21.699 -1.614 -13.858 1.00 20.24 H new ATOM 0 HH TYR A 24 22.901 -2.634 -15.405 1.00 41.04 H new ATOM 348 N LYS A 25 16.013 -3.766 -15.628 1.00 53.45 N ATOM 349 CA LYS A 25 15.740 -4.703 -16.712 1.00 3.14 C ATOM 350 C LYS A 25 16.816 -4.616 -17.789 1.00 64.43 C ATOM 351 O LYS A 25 16.967 -3.588 -18.449 1.00 13.24 O ATOM 352 CB LYS A 25 14.366 -4.421 -17.324 1.00 64.30 C ATOM 353 CG LYS A 25 13.723 -5.641 -17.960 1.00 54.13 C ATOM 354 CD LYS A 25 14.150 -5.805 -19.409 1.00 53.03 C ATOM 355 CE LYS A 25 13.392 -4.856 -20.325 1.00 10.43 C ATOM 356 NZ LYS A 25 12.086 -5.426 -20.757 1.00 62.10 N ATOM 0 H LYS A 25 16.154 -2.802 -15.930 1.00 53.45 H new ATOM 0 HA LYS A 25 15.746 -5.711 -16.298 1.00 3.14 H new ATOM 0 HB2 LYS A 25 13.704 -4.034 -16.549 1.00 64.30 H new ATOM 0 HB3 LYS A 25 14.466 -3.639 -18.077 1.00 64.30 H new ATOM 0 HG2 LYS A 25 13.996 -6.533 -17.396 1.00 54.13 H new ATOM 0 HG3 LYS A 25 12.638 -5.551 -17.907 1.00 54.13 H new ATOM 0 HD2 LYS A 25 15.221 -5.620 -19.497 1.00 53.03 H new ATOM 0 HD3 LYS A 25 13.977 -6.834 -19.726 1.00 53.03 H new ATOM 0 HE2 LYS A 25 13.223 -3.911 -19.809 1.00 10.43 H new ATOM 0 HE3 LYS A 25 14.000 -4.635 -21.202 1.00 10.43 H new ATOM 0 HZ1 LYS A 25 11.601 -4.749 -21.380 1.00 62.10 H new ATOM 0 HZ2 LYS A 25 12.248 -6.315 -21.272 1.00 62.10 H new ATOM 0 HZ3 LYS A 25 11.495 -5.613 -19.922 1.00 62.10 H new ATOM 370 N SER A 26 17.561 -5.703 -17.964 1.00 24.31 N ATOM 371 CA SER A 26 18.625 -5.749 -18.960 1.00 50.04 C ATOM 372 C SER A 26 18.556 -7.040 -19.770 1.00 30.42 C ATOM 373 O SER A 26 17.936 -8.016 -19.349 1.00 30.33 O ATOM 374 CB SER A 26 19.992 -5.630 -18.284 1.00 20.21 C ATOM 375 OG SER A 26 20.270 -4.287 -17.929 1.00 2.23 O ATOM 0 H SER A 26 17.447 -6.564 -17.429 1.00 24.31 H new ATOM 0 HA SER A 26 18.489 -4.907 -19.639 1.00 50.04 H new ATOM 0 HB2 SER A 26 20.016 -6.257 -17.393 1.00 20.21 H new ATOM 0 HB3 SER A 26 20.767 -6.000 -18.956 1.00 20.21 H new ATOM 0 HG SER A 26 19.938 -4.112 -17.024 1.00 2.23 H new ATOM 381 N GLU A 27 19.198 -7.037 -20.934 1.00 54.21 N ATOM 382 CA GLU A 27 19.208 -8.208 -21.803 1.00 44.42 C ATOM 383 C GLU A 27 20.149 -9.280 -21.260 1.00 51.43 C ATOM 384 O GLU A 27 20.107 -10.433 -21.689 1.00 54.24 O ATOM 385 CB GLU A 27 19.630 -7.814 -23.221 1.00 33.24 C ATOM 386 CG GLU A 27 18.871 -6.619 -23.771 1.00 51.45 C ATOM 387 CD GLU A 27 19.087 -6.426 -25.260 1.00 2.42 C ATOM 388 OE1 GLU A 27 18.379 -7.083 -26.052 1.00 3.33 O ATOM 389 OE2 GLU A 27 19.964 -5.618 -25.633 1.00 32.42 O ATOM 0 H GLU A 27 19.717 -6.238 -21.297 1.00 54.21 H new ATOM 0 HA GLU A 27 18.198 -8.616 -21.832 1.00 44.42 H new ATOM 0 HB2 GLU A 27 20.697 -7.589 -23.225 1.00 33.24 H new ATOM 0 HB3 GLU A 27 19.481 -8.665 -23.885 1.00 33.24 H new ATOM 0 HG2 GLU A 27 17.806 -6.748 -23.576 1.00 51.45 H new ATOM 0 HG3 GLU A 27 19.185 -5.719 -23.242 1.00 51.45 H new ATOM 396 N ASP A 28 20.997 -8.890 -20.315 1.00 30.21 N ATOM 397 CA ASP A 28 21.948 -9.817 -19.712 1.00 42.22 C ATOM 398 C ASP A 28 21.480 -10.252 -18.327 1.00 1.51 C ATOM 399 O ASP A 28 21.847 -11.323 -17.846 1.00 11.02 O ATOM 400 CB ASP A 28 23.331 -9.171 -19.617 1.00 65.34 C ATOM 401 CG ASP A 28 24.451 -10.161 -19.872 1.00 61.25 C ATOM 402 OD1 ASP A 28 24.529 -11.171 -19.141 1.00 51.23 O ATOM 403 OD2 ASP A 28 25.249 -9.927 -20.804 1.00 11.21 O ATOM 0 H ASP A 28 21.046 -7.939 -19.950 1.00 30.21 H new ATOM 0 HA ASP A 28 22.010 -10.700 -20.348 1.00 42.22 H new ATOM 0 HB2 ASP A 28 23.399 -8.356 -20.338 1.00 65.34 H new ATOM 0 HB3 ASP A 28 23.456 -8.732 -18.627 1.00 65.34 H new ATOM 408 N GLU A 29 20.669 -9.412 -17.691 1.00 51.32 N ATOM 409 CA GLU A 29 20.153 -9.709 -16.360 1.00 71.33 C ATOM 410 C GLU A 29 18.907 -8.880 -16.062 1.00 21.02 C ATOM 411 O GLU A 29 18.610 -7.913 -16.763 1.00 25.41 O ATOM 412 CB GLU A 29 21.224 -9.440 -15.302 1.00 2.24 C ATOM 413 CG GLU A 29 21.506 -7.963 -15.084 1.00 4.24 C ATOM 414 CD GLU A 29 22.917 -7.705 -14.591 1.00 0.14 C ATOM 415 OE1 GLU A 29 23.313 -8.322 -13.580 1.00 4.24 O ATOM 416 OE2 GLU A 29 23.624 -6.887 -15.215 1.00 1.21 O ATOM 0 H GLU A 29 20.355 -8.521 -18.076 1.00 51.32 H new ATOM 0 HA GLU A 29 19.881 -10.764 -16.331 1.00 71.33 H new ATOM 0 HB2 GLU A 29 20.910 -9.885 -14.358 1.00 2.24 H new ATOM 0 HB3 GLU A 29 22.148 -9.938 -15.597 1.00 2.24 H new ATOM 0 HG2 GLU A 29 21.348 -7.425 -16.019 1.00 4.24 H new ATOM 0 HG3 GLU A 29 20.794 -7.564 -14.362 1.00 4.24 H new ATOM 423 N GLU A 30 18.182 -9.267 -15.016 1.00 44.35 N ATOM 424 CA GLU A 30 16.968 -8.560 -14.626 1.00 42.22 C ATOM 425 C GLU A 30 16.651 -8.796 -13.152 1.00 72.44 C ATOM 426 O GLU A 30 16.533 -9.938 -12.707 1.00 60.21 O ATOM 427 CB GLU A 30 15.789 -9.009 -15.492 1.00 23.43 C ATOM 428 CG GLU A 30 14.455 -8.431 -15.051 1.00 21.44 C ATOM 429 CD GLU A 30 13.290 -8.970 -15.859 1.00 3.52 C ATOM 430 OE1 GLU A 30 13.078 -10.200 -15.847 1.00 55.23 O ATOM 431 OE2 GLU A 30 12.591 -8.159 -16.503 1.00 24.22 O ATOM 0 H GLU A 30 18.414 -10.065 -14.425 1.00 44.35 H new ATOM 0 HA GLU A 30 17.134 -7.493 -14.777 1.00 42.22 H new ATOM 0 HB2 GLU A 30 15.977 -8.719 -16.526 1.00 23.43 H new ATOM 0 HB3 GLU A 30 15.728 -10.097 -15.472 1.00 23.43 H new ATOM 0 HG2 GLU A 30 14.296 -8.657 -13.996 1.00 21.44 H new ATOM 0 HG3 GLU A 30 14.485 -7.345 -15.144 1.00 21.44 H new ATOM 438 N TYR A 31 16.514 -7.710 -12.401 1.00 43.51 N ATOM 439 CA TYR A 31 16.214 -7.798 -10.977 1.00 54.41 C ATOM 440 C TYR A 31 15.547 -6.518 -10.481 1.00 20.21 C ATOM 441 O TYR A 31 15.604 -5.479 -11.138 1.00 40.40 O ATOM 442 CB TYR A 31 17.492 -8.062 -10.180 1.00 21.00 C ATOM 443 CG TYR A 31 18.512 -6.951 -10.285 1.00 41.15 C ATOM 444 CD1 TYR A 31 18.373 -5.781 -9.549 1.00 61.11 C ATOM 445 CD2 TYR A 31 19.616 -7.072 -11.121 1.00 52.31 C ATOM 446 CE1 TYR A 31 19.302 -4.763 -9.643 1.00 63.21 C ATOM 447 CE2 TYR A 31 20.551 -6.060 -11.220 1.00 52.43 C ATOM 448 CZ TYR A 31 20.389 -4.907 -10.480 1.00 24.23 C ATOM 449 OH TYR A 31 21.318 -3.896 -10.575 1.00 70.11 O ATOM 0 H TYR A 31 16.606 -6.758 -12.754 1.00 43.51 H new ATOM 0 HA TYR A 31 15.523 -8.628 -10.828 1.00 54.41 H new ATOM 0 HB2 TYR A 31 17.233 -8.208 -9.131 1.00 21.00 H new ATOM 0 HB3 TYR A 31 17.942 -8.991 -10.529 1.00 21.00 H new ATOM 0 HD1 TYR A 31 17.524 -5.665 -8.892 1.00 61.11 H new ATOM 0 HD2 TYR A 31 19.745 -7.973 -11.703 1.00 52.31 H new ATOM 0 HE1 TYR A 31 19.178 -3.859 -9.064 1.00 63.21 H new ATOM 0 HE2 TYR A 31 21.404 -6.171 -11.873 1.00 52.43 H new ATOM 0 HH TYR A 31 21.082 -3.303 -11.319 1.00 70.11 H new ATOM 459 N LYS A 32 14.915 -6.602 -9.315 1.00 70.11 N ATOM 460 CA LYS A 32 14.238 -5.452 -8.727 1.00 20.42 C ATOM 461 C LYS A 32 14.509 -5.370 -7.228 1.00 44.51 C ATOM 462 O LYS A 32 14.419 -6.369 -6.515 1.00 42.12 O ATOM 463 CB LYS A 32 12.731 -5.538 -8.979 1.00 0.10 C ATOM 464 CG LYS A 32 12.340 -5.271 -10.422 1.00 53.31 C ATOM 465 CD LYS A 32 11.120 -6.081 -10.828 1.00 52.41 C ATOM 466 CE LYS A 32 11.360 -6.837 -12.126 1.00 34.13 C ATOM 467 NZ LYS A 32 10.614 -8.126 -12.162 1.00 42.33 N ATOM 0 H LYS A 32 14.858 -7.455 -8.758 1.00 70.11 H new ATOM 0 HA LYS A 32 14.629 -4.551 -9.200 1.00 20.42 H new ATOM 0 HB2 LYS A 32 12.379 -6.529 -8.693 1.00 0.10 H new ATOM 0 HB3 LYS A 32 12.222 -4.821 -8.335 1.00 0.10 H new ATOM 0 HG2 LYS A 32 12.133 -4.209 -10.553 1.00 53.31 H new ATOM 0 HG3 LYS A 32 13.175 -5.516 -11.078 1.00 53.31 H new ATOM 0 HD2 LYS A 32 10.870 -6.787 -10.036 1.00 52.41 H new ATOM 0 HD3 LYS A 32 10.264 -5.417 -10.945 1.00 52.41 H new ATOM 0 HE2 LYS A 32 11.055 -6.217 -12.969 1.00 34.13 H new ATOM 0 HE3 LYS A 32 12.426 -7.031 -12.242 1.00 34.13 H new ATOM 0 HZ1 LYS A 32 10.803 -8.612 -13.062 1.00 42.33 H new ATOM 0 HZ2 LYS A 32 10.923 -8.728 -11.372 1.00 42.33 H new ATOM 0 HZ3 LYS A 32 9.594 -7.939 -12.077 1.00 42.33 H new ATOM 481 N SER A 33 14.841 -4.172 -6.757 1.00 12.24 N ATOM 482 CA SER A 33 15.127 -3.959 -5.343 1.00 24.33 C ATOM 483 C SER A 33 15.176 -2.470 -5.016 1.00 42.21 C ATOM 484 O SER A 33 15.600 -1.656 -5.837 1.00 4.31 O ATOM 485 CB SER A 33 16.455 -4.620 -4.965 1.00 12.51 C ATOM 486 OG SER A 33 16.276 -5.995 -4.674 1.00 13.35 O ATOM 0 H SER A 33 14.919 -3.334 -7.334 1.00 12.24 H new ATOM 0 HA SER A 33 14.324 -4.414 -4.763 1.00 24.33 H new ATOM 0 HB2 SER A 33 17.166 -4.508 -5.783 1.00 12.51 H new ATOM 0 HB3 SER A 33 16.883 -4.115 -4.099 1.00 12.51 H new ATOM 0 HG SER A 33 15.429 -6.303 -5.058 1.00 13.35 H new ATOM 492 N CYS A 34 14.739 -2.120 -3.811 1.00 75.22 N ATOM 493 CA CYS A 34 14.731 -0.730 -3.374 1.00 13.44 C ATOM 494 C CYS A 34 14.161 -0.606 -1.963 1.00 61.23 C ATOM 495 O CYS A 34 13.978 -1.604 -1.267 1.00 52.30 O ATOM 496 CB CYS A 34 13.913 0.127 -4.342 1.00 42.14 C ATOM 497 SG CYS A 34 14.699 1.711 -4.779 1.00 2.40 S ATOM 0 H CYS A 34 14.385 -2.781 -3.119 1.00 75.22 H new ATOM 0 HA CYS A 34 15.761 -0.373 -3.364 1.00 13.44 H new ATOM 0 HB2 CYS A 34 13.736 -0.443 -5.254 1.00 42.14 H new ATOM 0 HB3 CYS A 34 12.938 0.328 -3.898 1.00 42.14 H new ATOM 0 HG CYS A 34 15.916 1.732 -4.322 1.00 2.40 H new ATOM 502 N GLY A 35 13.883 0.626 -1.549 1.00 53.20 N ATOM 503 CA GLY A 35 13.337 0.858 -0.225 1.00 32.05 C ATOM 504 C GLY A 35 13.294 2.330 0.135 1.00 35.24 C ATOM 505 O GLY A 35 12.246 2.970 0.035 1.00 62.54 O ATOM 0 H GLY A 35 14.026 1.468 -2.107 1.00 53.20 H new ATOM 0 HA2 GLY A 35 12.330 0.445 -0.173 1.00 32.05 H new ATOM 0 HA3 GLY A 35 13.938 0.325 0.511 1.00 32.05 H new ATOM 509 N ILE A 36 14.433 2.868 0.558 1.00 72.34 N ATOM 510 CA ILE A 36 14.520 4.273 0.934 1.00 10.12 C ATOM 511 C ILE A 36 15.305 5.072 -0.100 1.00 64.25 C ATOM 512 O ILE A 36 16.339 4.621 -0.592 1.00 64.41 O ATOM 513 CB ILE A 36 15.185 4.446 2.313 1.00 53.34 C ATOM 514 CG1 ILE A 36 16.410 3.537 2.430 1.00 34.03 C ATOM 515 CG2 ILE A 36 14.188 4.148 3.423 1.00 60.24 C ATOM 516 CD1 ILE A 36 17.156 3.695 3.736 1.00 22.13 C ATOM 0 H ILE A 36 15.308 2.352 0.649 1.00 72.34 H new ATOM 0 HA ILE A 36 13.499 4.651 0.982 1.00 10.12 H new ATOM 0 HB ILE A 36 15.513 5.480 2.415 1.00 53.34 H new ATOM 0 HG12 ILE A 36 16.094 2.499 2.325 1.00 34.03 H new ATOM 0 HG13 ILE A 36 17.090 3.749 1.605 1.00 34.03 H new ATOM 0 HG21 ILE A 36 14.673 4.275 4.391 1.00 60.24 H new ATOM 0 HG22 ILE A 36 13.344 4.833 3.348 1.00 60.24 H new ATOM 0 HG23 ILE A 36 13.832 3.122 3.327 1.00 60.24 H new ATOM 0 HD11 ILE A 36 18.012 3.021 3.750 1.00 22.13 H new ATOM 0 HD12 ILE A 36 17.503 4.724 3.835 1.00 22.13 H new ATOM 0 HD13 ILE A 36 16.491 3.455 4.566 1.00 22.13 H new ATOM 528 N GLN A 37 14.808 6.261 -0.425 1.00 33.25 N ATOM 529 CA GLN A 37 15.464 7.123 -1.400 1.00 41.02 C ATOM 530 C GLN A 37 16.944 7.289 -1.072 1.00 22.44 C ATOM 531 O GLN A 37 17.774 7.444 -1.967 1.00 0.43 O ATOM 532 CB GLN A 37 14.783 8.492 -1.443 1.00 33.15 C ATOM 533 CG GLN A 37 15.192 9.338 -2.637 1.00 54.32 C ATOM 534 CD GLN A 37 14.127 9.379 -3.715 1.00 73.05 C ATOM 535 OE1 GLN A 37 13.962 8.270 -4.427 1.00 23.10 O flip ATOM 536 NE2 GLN A 37 13.459 10.396 -3.907 1.00 50.13 N flip ATOM 0 H GLN A 37 13.953 6.649 -0.027 1.00 33.25 H new ATOM 0 HA GLN A 37 15.378 6.651 -2.379 1.00 41.02 H new ATOM 0 HB2 GLN A 37 13.702 8.350 -1.462 1.00 33.15 H new ATOM 0 HB3 GLN A 37 15.018 9.034 -0.527 1.00 33.15 H new ATOM 0 HG2 GLN A 37 15.404 10.353 -2.302 1.00 54.32 H new ATOM 0 HG3 GLN A 37 16.116 8.942 -3.059 1.00 54.32 H new ATOM 0 HE21 GLN A 37 13.619 11.226 -3.337 1.00 50.13 H new ATOM 0 HE22 GLN A 37 12.746 10.408 -4.636 1.00 50.13 H new ATOM 545 N GLU A 38 17.267 7.254 0.218 1.00 53.14 N ATOM 546 CA GLU A 38 18.647 7.402 0.663 1.00 23.31 C ATOM 547 C GLU A 38 19.515 6.265 0.132 1.00 61.43 C ATOM 548 O GLU A 38 20.667 6.475 -0.247 1.00 74.35 O ATOM 549 CB GLU A 38 18.712 7.436 2.191 1.00 4.25 C ATOM 550 CG GLU A 38 17.954 8.600 2.807 1.00 40.11 C ATOM 551 CD GLU A 38 18.624 9.935 2.547 1.00 1.44 C ATOM 552 OE1 GLU A 38 19.844 10.044 2.792 1.00 62.42 O ATOM 553 OE2 GLU A 38 17.929 10.872 2.101 1.00 63.33 O ATOM 0 H GLU A 38 16.592 7.125 0.972 1.00 53.14 H new ATOM 0 HA GLU A 38 19.030 8.343 0.269 1.00 23.31 H new ATOM 0 HB2 GLU A 38 18.309 6.503 2.584 1.00 4.25 H new ATOM 0 HB3 GLU A 38 19.756 7.488 2.501 1.00 4.25 H new ATOM 0 HG2 GLU A 38 16.941 8.622 2.406 1.00 40.11 H new ATOM 0 HG3 GLU A 38 17.868 8.444 3.882 1.00 40.11 H new ATOM 560 N GLU A 39 18.953 5.060 0.108 1.00 11.14 N ATOM 561 CA GLU A 39 19.676 3.890 -0.375 1.00 71.30 C ATOM 562 C GLU A 39 19.560 3.767 -1.892 1.00 30.44 C ATOM 563 O GLU A 39 20.539 3.475 -2.579 1.00 21.41 O ATOM 564 CB GLU A 39 19.142 2.621 0.293 1.00 73.11 C ATOM 565 CG GLU A 39 19.601 2.451 1.731 1.00 33.23 C ATOM 566 CD GLU A 39 19.030 1.206 2.382 1.00 25.33 C ATOM 567 OE1 GLU A 39 17.979 0.721 1.914 1.00 13.14 O ATOM 568 OE2 GLU A 39 19.635 0.716 3.359 1.00 10.21 O ATOM 0 H GLU A 39 18.000 4.869 0.417 1.00 11.14 H new ATOM 0 HA GLU A 39 20.728 4.012 -0.117 1.00 71.30 H new ATOM 0 HB2 GLU A 39 18.052 2.638 0.268 1.00 73.11 H new ATOM 0 HB3 GLU A 39 19.460 1.754 -0.286 1.00 73.11 H new ATOM 0 HG2 GLU A 39 20.690 2.404 1.758 1.00 33.23 H new ATOM 0 HG3 GLU A 39 19.306 3.327 2.309 1.00 33.23 H new ATOM 575 N CYS A 40 18.356 3.991 -2.407 1.00 70.02 N ATOM 576 CA CYS A 40 18.110 3.905 -3.841 1.00 74.25 C ATOM 577 C CYS A 40 18.937 4.939 -4.599 1.00 1.43 C ATOM 578 O CYS A 40 19.435 4.671 -5.692 1.00 32.35 O ATOM 579 CB CYS A 40 16.623 4.109 -4.138 1.00 35.02 C ATOM 580 SG CYS A 40 15.761 2.603 -4.692 1.00 61.42 S ATOM 0 H CYS A 40 17.535 4.234 -1.852 1.00 70.02 H new ATOM 0 HA CYS A 40 18.408 2.911 -4.176 1.00 74.25 H new ATOM 0 HB2 CYS A 40 16.133 4.486 -3.240 1.00 35.02 H new ATOM 0 HB3 CYS A 40 16.519 4.877 -4.904 1.00 35.02 H new ATOM 0 HG CYS A 40 14.506 2.675 -4.362 1.00 61.42 H new ATOM 585 N GLU A 41 19.079 6.122 -4.009 1.00 3.21 N ATOM 586 CA GLU A 41 19.846 7.197 -4.628 1.00 71.24 C ATOM 587 C GLU A 41 21.299 6.779 -4.834 1.00 42.54 C ATOM 588 O GLU A 41 22.010 7.354 -5.659 1.00 62.23 O ATOM 589 CB GLU A 41 19.784 8.460 -3.767 1.00 73.10 C ATOM 590 CG GLU A 41 20.499 9.651 -4.381 1.00 43.32 C ATOM 591 CD GLU A 41 21.931 9.783 -3.900 1.00 65.15 C ATOM 592 OE1 GLU A 41 22.176 9.563 -2.696 1.00 2.11 O ATOM 593 OE2 GLU A 41 22.808 10.106 -4.730 1.00 33.31 O ATOM 0 H GLU A 41 18.673 6.360 -3.104 1.00 3.21 H new ATOM 0 HA GLU A 41 19.405 7.409 -5.602 1.00 71.24 H new ATOM 0 HB2 GLU A 41 18.740 8.722 -3.596 1.00 73.10 H new ATOM 0 HB3 GLU A 41 20.222 8.247 -2.792 1.00 73.10 H new ATOM 0 HG2 GLU A 41 20.492 9.554 -5.467 1.00 43.32 H new ATOM 0 HG3 GLU A 41 19.953 10.563 -4.139 1.00 43.32 H new ATOM 600 N ASP A 42 21.733 5.777 -4.079 1.00 3.04 N ATOM 601 CA ASP A 42 23.101 5.282 -4.178 1.00 23.44 C ATOM 602 C ASP A 42 23.462 4.967 -5.626 1.00 73.21 C ATOM 603 O ASP A 42 24.622 5.066 -6.023 1.00 3.41 O ATOM 604 CB ASP A 42 23.278 4.033 -3.312 1.00 60.01 C ATOM 605 CG ASP A 42 24.735 3.736 -3.015 1.00 73.45 C ATOM 606 OD1 ASP A 42 25.509 4.696 -2.823 1.00 14.32 O ATOM 607 OD2 ASP A 42 25.101 2.542 -2.977 1.00 1.12 O ATOM 0 H ASP A 42 21.157 5.291 -3.391 1.00 3.04 H new ATOM 0 HA ASP A 42 23.770 6.063 -3.817 1.00 23.44 H new ATOM 0 HB2 ASP A 42 22.739 4.165 -2.374 1.00 60.01 H new ATOM 0 HB3 ASP A 42 22.832 3.177 -3.818 1.00 60.01 H new ATOM 612 N ALA A 43 22.459 4.586 -6.411 1.00 20.54 N ATOM 613 CA ALA A 43 22.670 4.257 -7.815 1.00 1.01 C ATOM 614 C ALA A 43 22.989 5.506 -8.629 1.00 53.41 C ATOM 615 O ALA A 43 22.107 6.087 -9.261 1.00 41.22 O ATOM 616 CB ALA A 43 21.446 3.553 -8.382 1.00 23.10 C ATOM 0 H ALA A 43 21.492 4.498 -6.098 1.00 20.54 H new ATOM 0 HA ALA A 43 23.525 3.584 -7.881 1.00 1.01 H new ATOM 0 HB1 ALA A 43 21.618 3.313 -9.431 1.00 23.10 H new ATOM 0 HB2 ALA A 43 21.264 2.634 -7.825 1.00 23.10 H new ATOM 0 HB3 ALA A 43 20.578 4.207 -8.297 1.00 23.10 H new ATOM 622 N GLU A 44 24.254 5.914 -8.608 1.00 52.40 N ATOM 623 CA GLU A 44 24.687 7.096 -9.344 1.00 12.52 C ATOM 624 C GLU A 44 24.554 6.880 -10.848 1.00 75.15 C ATOM 625 O GLU A 44 24.706 5.763 -11.342 1.00 13.22 O ATOM 626 CB GLU A 44 26.136 7.440 -8.993 1.00 40.23 C ATOM 627 CG GLU A 44 26.308 7.994 -7.589 1.00 33.53 C ATOM 628 CD GLU A 44 26.214 9.506 -7.542 1.00 54.31 C ATOM 629 OE1 GLU A 44 25.119 10.042 -7.813 1.00 72.23 O ATOM 630 OE2 GLU A 44 27.236 10.154 -7.234 1.00 12.42 O ATOM 0 H GLU A 44 24.996 5.444 -8.090 1.00 52.40 H new ATOM 0 HA GLU A 44 24.044 7.927 -9.056 1.00 12.52 H new ATOM 0 HB2 GLU A 44 26.749 6.545 -9.099 1.00 40.23 H new ATOM 0 HB3 GLU A 44 26.511 8.170 -9.711 1.00 40.23 H new ATOM 0 HG2 GLU A 44 25.546 7.566 -6.938 1.00 33.53 H new ATOM 0 HG3 GLU A 44 27.275 7.682 -7.195 1.00 33.53 H new ATOM 637 N GLY A 45 24.267 7.958 -11.573 1.00 24.33 N ATOM 638 CA GLY A 45 24.117 7.865 -13.013 1.00 45.12 C ATOM 639 C GLY A 45 22.666 7.775 -13.440 1.00 71.14 C ATOM 640 O GLY A 45 22.171 8.636 -14.167 1.00 0.33 O ATOM 0 H GLY A 45 24.136 8.893 -11.188 1.00 24.33 H new ATOM 0 HA2 GLY A 45 24.577 8.736 -13.480 1.00 45.12 H new ATOM 0 HA3 GLY A 45 24.654 6.988 -13.375 1.00 45.12 H new ATOM 644 N ALA A 46 21.982 6.728 -12.990 1.00 41.01 N ATOM 645 CA ALA A 46 20.579 6.529 -13.330 1.00 32.31 C ATOM 646 C ALA A 46 19.667 7.238 -12.334 1.00 72.44 C ATOM 647 O ALA A 46 20.024 7.422 -11.170 1.00 44.04 O ATOM 648 CB ALA A 46 20.254 5.043 -13.381 1.00 40.10 C ATOM 0 H ALA A 46 22.377 6.005 -12.389 1.00 41.01 H new ATOM 0 HA ALA A 46 20.404 6.962 -14.315 1.00 32.31 H new ATOM 0 HB1 ALA A 46 19.203 4.909 -13.636 1.00 40.10 H new ATOM 0 HB2 ALA A 46 20.875 4.560 -14.136 1.00 40.10 H new ATOM 0 HB3 ALA A 46 20.451 4.594 -12.408 1.00 40.10 H new ATOM 654 N THR A 47 18.486 7.634 -12.799 1.00 40.51 N ATOM 655 CA THR A 47 17.523 8.325 -11.950 1.00 65.11 C ATOM 656 C THR A 47 16.513 7.349 -11.358 1.00 40.02 C ATOM 657 O THR A 47 16.069 6.417 -12.029 1.00 33.04 O ATOM 658 CB THR A 47 16.768 9.418 -12.730 1.00 65.54 C ATOM 659 OG1 THR A 47 17.665 10.094 -13.618 1.00 65.13 O ATOM 660 CG2 THR A 47 16.135 10.422 -11.779 1.00 71.35 C ATOM 0 H THR A 47 18.173 7.488 -13.759 1.00 40.51 H new ATOM 0 HA THR A 47 18.090 8.791 -11.144 1.00 65.11 H new ATOM 0 HB THR A 47 15.977 8.940 -13.308 1.00 65.54 H new ATOM 0 HG1 THR A 47 17.177 10.786 -14.111 1.00 65.13 H new ATOM 0 HG21 THR A 47 15.608 11.184 -12.353 1.00 71.35 H new ATOM 0 HG22 THR A 47 15.431 9.909 -11.124 1.00 71.35 H new ATOM 0 HG23 THR A 47 16.912 10.894 -11.178 1.00 71.35 H new ATOM 668 N VAL A 48 16.153 7.569 -10.098 1.00 12.23 N ATOM 669 CA VAL A 48 15.193 6.710 -9.416 1.00 34.23 C ATOM 670 C VAL A 48 13.824 7.375 -9.330 1.00 13.35 C ATOM 671 O VAL A 48 13.675 8.439 -8.726 1.00 31.42 O ATOM 672 CB VAL A 48 15.668 6.354 -7.995 1.00 25.42 C ATOM 673 CG1 VAL A 48 15.995 7.614 -7.209 1.00 14.40 C ATOM 674 CG2 VAL A 48 14.617 5.523 -7.274 1.00 4.10 C ATOM 0 H VAL A 48 16.512 8.335 -9.529 1.00 12.23 H new ATOM 0 HA VAL A 48 15.114 5.796 -10.004 1.00 34.23 H new ATOM 0 HB VAL A 48 16.577 5.758 -8.074 1.00 25.42 H new ATOM 0 HG11 VAL A 48 16.329 7.342 -6.208 1.00 14.40 H new ATOM 0 HG12 VAL A 48 16.786 8.165 -7.718 1.00 14.40 H new ATOM 0 HG13 VAL A 48 15.105 8.239 -7.137 1.00 14.40 H new ATOM 0 HG21 VAL A 48 14.970 5.281 -6.271 1.00 4.10 H new ATOM 0 HG22 VAL A 48 13.689 6.091 -7.205 1.00 4.10 H new ATOM 0 HG23 VAL A 48 14.438 4.602 -7.828 1.00 4.10 H new ATOM 684 N LEU A 49 12.825 6.743 -9.936 1.00 65.15 N ATOM 685 CA LEU A 49 11.466 7.273 -9.928 1.00 45.13 C ATOM 686 C LEU A 49 10.473 6.217 -9.455 1.00 73.04 C ATOM 687 O LEU A 49 10.517 5.067 -9.894 1.00 55.21 O ATOM 688 CB LEU A 49 11.081 7.764 -11.325 1.00 31.50 C ATOM 689 CG LEU A 49 10.048 8.889 -11.380 1.00 14.35 C ATOM 690 CD1 LEU A 49 10.734 10.246 -11.347 1.00 21.04 C ATOM 691 CD2 LEU A 49 9.181 8.758 -12.624 1.00 0.15 C ATOM 0 H LEU A 49 12.931 5.862 -10.439 1.00 65.15 H new ATOM 0 HA LEU A 49 11.433 8.112 -9.233 1.00 45.13 H new ATOM 0 HB2 LEU A 49 11.985 8.103 -11.831 1.00 31.50 H new ATOM 0 HB3 LEU A 49 10.696 6.917 -11.893 1.00 31.50 H new ATOM 0 HG LEU A 49 9.405 8.808 -10.504 1.00 14.35 H new ATOM 0 HD11 LEU A 49 9.983 11.035 -11.387 1.00 21.04 H new ATOM 0 HD12 LEU A 49 11.310 10.340 -10.427 1.00 21.04 H new ATOM 0 HD13 LEU A 49 11.402 10.337 -12.204 1.00 21.04 H new ATOM 0 HD21 LEU A 49 8.451 9.568 -12.646 1.00 0.15 H new ATOM 0 HD22 LEU A 49 9.810 8.812 -13.513 1.00 0.15 H new ATOM 0 HD23 LEU A 49 8.660 7.801 -12.605 1.00 0.15 H new ATOM 703 N CYS A 50 9.576 6.615 -8.559 1.00 52.03 N ATOM 704 CA CYS A 50 8.569 5.704 -8.028 1.00 3.35 C ATOM 705 C CYS A 50 7.165 6.263 -8.238 1.00 71.34 C ATOM 706 O CYS A 50 6.961 7.477 -8.236 1.00 14.03 O ATOM 707 CB CYS A 50 8.813 5.456 -6.538 1.00 33.53 C ATOM 708 SG CYS A 50 8.155 3.868 -5.932 1.00 3.32 S ATOM 0 H CYS A 50 9.526 7.563 -8.185 1.00 52.03 H new ATOM 0 HA CYS A 50 8.649 4.759 -8.566 1.00 3.35 H new ATOM 0 HB2 CYS A 50 9.885 5.490 -6.346 1.00 33.53 H new ATOM 0 HB3 CYS A 50 8.361 6.267 -5.967 1.00 33.53 H new ATOM 713 N CYS A 51 6.200 5.368 -8.421 1.00 33.23 N ATOM 714 CA CYS A 51 4.814 5.769 -8.633 1.00 43.13 C ATOM 715 C CYS A 51 4.007 5.640 -7.345 1.00 11.32 C ATOM 716 O CYS A 51 4.302 4.818 -6.478 1.00 31.35 O ATOM 717 CB CYS A 51 4.178 4.918 -9.734 1.00 20.00 C ATOM 718 SG CYS A 51 5.310 4.499 -11.098 1.00 43.43 S ATOM 0 H CYS A 51 6.352 4.359 -8.427 1.00 33.23 H new ATOM 0 HA CYS A 51 4.808 6.814 -8.941 1.00 43.13 H new ATOM 0 HB2 CYS A 51 3.801 3.995 -9.293 1.00 20.00 H new ATOM 0 HB3 CYS A 51 3.319 5.452 -10.140 1.00 20.00 H new ATOM 723 N PRO A 52 2.963 6.472 -7.215 1.00 52.33 N ATOM 724 CA PRO A 52 2.091 6.471 -6.037 1.00 73.30 C ATOM 725 C PRO A 52 1.227 5.217 -5.957 1.00 32.30 C ATOM 726 O PRO A 52 0.548 4.983 -4.958 1.00 14.31 O ATOM 727 CB PRO A 52 1.216 7.710 -6.241 1.00 43.32 C ATOM 728 CG PRO A 52 1.206 7.928 -7.715 1.00 31.00 C ATOM 729 CD PRO A 52 2.553 7.478 -8.209 1.00 51.35 C ATOM 0 HA PRO A 52 2.661 6.484 -5.108 1.00 73.30 H new ATOM 0 HB2 PRO A 52 0.208 7.550 -5.858 1.00 43.32 H new ATOM 0 HB3 PRO A 52 1.624 8.574 -5.716 1.00 43.32 H new ATOM 0 HG2 PRO A 52 0.406 7.358 -8.188 1.00 31.00 H new ATOM 0 HG3 PRO A 52 1.034 8.978 -7.953 1.00 31.00 H new ATOM 0 HD2 PRO A 52 2.492 7.052 -9.210 1.00 51.35 H new ATOM 0 HD3 PRO A 52 3.260 8.306 -8.258 1.00 51.35 H new ATOM 737 N GLU A 53 1.258 4.413 -7.016 1.00 5.14 N ATOM 738 CA GLU A 53 0.477 3.183 -7.064 1.00 21.15 C ATOM 739 C GLU A 53 1.311 1.990 -6.605 1.00 4.30 C ATOM 740 O GLU A 53 2.473 2.141 -6.226 1.00 21.20 O ATOM 741 CB GLU A 53 -0.045 2.939 -8.481 1.00 12.11 C ATOM 742 CG GLU A 53 -1.267 3.772 -8.831 1.00 44.22 C ATOM 743 CD GLU A 53 -1.168 4.403 -10.207 1.00 21.52 C ATOM 744 OE1 GLU A 53 -0.161 5.093 -10.472 1.00 32.34 O ATOM 745 OE2 GLU A 53 -2.097 4.206 -11.018 1.00 45.21 O ATOM 0 H GLU A 53 1.815 4.592 -7.851 1.00 5.14 H new ATOM 0 HA GLU A 53 -0.370 3.294 -6.387 1.00 21.15 H new ATOM 0 HB2 GLU A 53 0.750 3.157 -9.195 1.00 12.11 H new ATOM 0 HB3 GLU A 53 -0.292 1.883 -8.592 1.00 12.11 H new ATOM 0 HG2 GLU A 53 -2.156 3.143 -8.787 1.00 44.22 H new ATOM 0 HG3 GLU A 53 -1.394 4.556 -8.084 1.00 44.22 H new ATOM 752 N ASP A 54 0.710 0.806 -6.642 1.00 2.31 N ATOM 753 CA ASP A 54 1.397 -0.413 -6.231 1.00 13.00 C ATOM 754 C ASP A 54 2.014 -1.121 -7.433 1.00 41.52 C ATOM 755 O ASP A 54 1.483 -1.061 -8.543 1.00 15.33 O ATOM 756 CB ASP A 54 0.427 -1.353 -5.513 1.00 55.33 C ATOM 757 CG ASP A 54 -0.906 -1.465 -6.228 1.00 21.13 C ATOM 758 OD1 ASP A 54 -0.960 -2.134 -7.281 1.00 40.45 O ATOM 759 OD2 ASP A 54 -1.895 -0.885 -5.733 1.00 22.43 O ATOM 0 H ASP A 54 -0.251 0.664 -6.952 1.00 2.31 H new ATOM 0 HA ASP A 54 2.197 -0.136 -5.545 1.00 13.00 H new ATOM 0 HB2 ASP A 54 0.877 -2.342 -5.432 1.00 55.33 H new ATOM 0 HB3 ASP A 54 0.262 -0.994 -4.497 1.00 55.33 H new ATOM 764 N LEU A 55 3.139 -1.789 -7.206 1.00 22.11 N ATOM 765 CA LEU A 55 3.831 -2.508 -8.271 1.00 15.14 C ATOM 766 C LEU A 55 4.174 -1.572 -9.425 1.00 63.22 C ATOM 767 O LEU A 55 3.669 -1.729 -10.537 1.00 50.01 O ATOM 768 CB LEU A 55 2.967 -3.664 -8.776 1.00 74.54 C ATOM 769 CG LEU A 55 2.611 -4.737 -7.746 1.00 71.02 C ATOM 770 CD1 LEU A 55 1.788 -5.843 -8.389 1.00 51.51 C ATOM 771 CD2 LEU A 55 3.872 -5.307 -7.113 1.00 73.52 C ATOM 0 H LEU A 55 3.592 -1.848 -6.294 1.00 22.11 H new ATOM 0 HA LEU A 55 4.760 -2.908 -7.864 1.00 15.14 H new ATOM 0 HB2 LEU A 55 2.041 -3.251 -9.176 1.00 74.54 H new ATOM 0 HB3 LEU A 55 3.486 -4.144 -9.606 1.00 74.54 H new ATOM 0 HG LEU A 55 2.011 -4.276 -6.962 1.00 71.02 H new ATOM 0 HD11 LEU A 55 1.544 -6.597 -7.641 1.00 51.51 H new ATOM 0 HD12 LEU A 55 0.867 -5.423 -8.794 1.00 51.51 H new ATOM 0 HD13 LEU A 55 2.362 -6.303 -9.194 1.00 51.51 H new ATOM 0 HD21 LEU A 55 3.600 -6.069 -6.383 1.00 73.52 H new ATOM 0 HD22 LEU A 55 4.498 -5.752 -7.886 1.00 73.52 H new ATOM 0 HD23 LEU A 55 4.423 -4.508 -6.616 1.00 73.52 H new ATOM 783 N CYS A 56 5.039 -0.600 -9.155 1.00 15.24 N ATOM 784 CA CYS A 56 5.452 0.361 -10.170 1.00 62.23 C ATOM 785 C CYS A 56 6.817 -0.008 -10.744 1.00 62.31 C ATOM 786 O CYS A 56 7.184 0.433 -11.832 1.00 43.20 O ATOM 787 CB CYS A 56 5.500 1.771 -9.579 1.00 53.11 C ATOM 788 SG CYS A 56 5.993 3.060 -10.769 1.00 33.34 S ATOM 0 H CYS A 56 5.468 -0.457 -8.241 1.00 15.24 H new ATOM 0 HA CYS A 56 4.719 0.337 -10.976 1.00 62.23 H new ATOM 0 HB2 CYS A 56 4.517 2.019 -9.178 1.00 53.11 H new ATOM 0 HB3 CYS A 56 6.198 1.779 -8.741 1.00 53.11 H new ATOM 793 N ASN A 57 7.564 -0.821 -10.004 1.00 31.31 N ATOM 794 CA ASN A 57 8.888 -1.250 -10.439 1.00 24.05 C ATOM 795 C ASN A 57 8.871 -2.712 -10.875 1.00 1.14 C ATOM 796 O ASN A 57 8.701 -3.613 -10.053 1.00 41.42 O ATOM 797 CB ASN A 57 9.906 -1.054 -9.313 1.00 13.04 C ATOM 798 CG ASN A 57 9.571 -1.874 -8.082 1.00 22.51 C ATOM 799 OD1 ASN A 57 8.442 -1.849 -7.593 1.00 54.41 O ATOM 800 ND2 ASN A 57 10.555 -2.608 -7.575 1.00 21.03 N ATOM 0 H ASN A 57 7.275 -1.196 -9.100 1.00 31.31 H new ATOM 0 HA ASN A 57 9.178 -0.638 -11.293 1.00 24.05 H new ATOM 0 HB2 ASN A 57 10.898 -1.330 -9.671 1.00 13.04 H new ATOM 0 HB3 ASN A 57 9.947 0.001 -9.043 1.00 13.04 H new ATOM 0 HD21 ASN A 57 10.390 -3.181 -6.748 1.00 21.03 H new ATOM 0 HD22 ASN A 57 11.476 -2.599 -8.013 1.00 21.03 H new