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 27:sc= -25.5! USER MOD Set 1.2: A 40 CYS SG : rot 165:sc= -24.4! USER MOD Set 2.1: A 24 TYR OH : rot 43:sc= 0.00252 USER MOD Set 2.2: A 26 SER OG : rot 89:sc= 1.36 USER MOD Single : A 1 LEU N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 GLN : amide:sc= -0.249 X(o=-0.25,f=0) USER MOD Single : A 4 ASN :FLIP amide:sc= -0.0276 F(o=-0.79,f=-0.028) USER MOD Single : A 5 THR OG1 : rot -45:sc= 1.04 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= -0.298 X(o=-0.3,f=-0.63) USER MOD Single : A 23 HIS : no HD1:sc= -1.54 X(o=-1.5,f=-1.6) USER MOD Single : A 25 LYS NZ :NH3+ -128:sc= -0.183 (180deg=-1.58!) USER MOD Single : A 31 TYR OH : rot -92:sc= 0.347 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 SER OG : rot 41:sc= 1.17 USER MOD Single : A 37 GLN :FLIP amide:sc= -1.16 F(o=-2.3!,f=-1.2) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 ASN : amide:sc= 0.0674 K(o=0.067,f=-5!) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 1.081 0.022 -0.314 1.00 61.53 N ATOM 2 CA LEU A 1 1.904 0.014 -1.519 1.00 10.02 C ATOM 3 C LEU A 1 2.561 -1.348 -1.721 1.00 52.31 C ATOM 4 O LEU A 1 2.862 -2.051 -0.757 1.00 51.21 O ATOM 5 CB LEU A 1 2.976 1.102 -1.435 1.00 55.40 C ATOM 6 CG LEU A 1 3.118 2.000 -2.665 1.00 24.22 C ATOM 7 CD1 LEU A 1 3.606 1.195 -3.859 1.00 73.34 C ATOM 8 CD2 LEU A 1 1.796 2.683 -2.983 1.00 63.21 C ATOM 0 H1 LEU A 1 0.645 0.959 -0.198 1.00 61.53 H new ATOM 0 H2 LEU A 1 0.336 -0.699 -0.398 1.00 61.53 H new ATOM 0 H3 LEU A 1 1.675 -0.188 0.513 1.00 61.53 H new ATOM 0 HA LEU A 1 1.257 0.215 -2.373 1.00 10.02 H new ATOM 0 HB2 LEU A 1 2.759 1.732 -0.573 1.00 55.40 H new ATOM 0 HB3 LEU A 1 3.937 0.624 -1.246 1.00 55.40 H new ATOM 0 HG LEU A 1 3.857 2.770 -2.446 1.00 24.22 H new ATOM 0 HD11 LEU A 1 3.701 1.850 -4.725 1.00 73.34 H new ATOM 0 HD12 LEU A 1 4.576 0.754 -3.629 1.00 73.34 H new ATOM 0 HD13 LEU A 1 2.891 0.403 -4.080 1.00 73.34 H new ATOM 0 HD21 LEU A 1 1.916 3.318 -3.861 1.00 63.21 H new ATOM 0 HD22 LEU A 1 1.035 1.928 -3.182 1.00 63.21 H new ATOM 0 HD23 LEU A 1 1.488 3.293 -2.134 1.00 63.21 H new ATOM 20 N GLN A 2 2.781 -1.711 -2.980 1.00 63.43 N ATOM 21 CA GLN A 2 3.404 -2.988 -3.308 1.00 61.42 C ATOM 22 C GLN A 2 4.540 -2.799 -4.308 1.00 24.12 C ATOM 23 O GLN A 2 4.503 -1.894 -5.142 1.00 23.01 O ATOM 24 CB GLN A 2 2.365 -3.956 -3.877 1.00 14.31 C ATOM 25 CG GLN A 2 1.737 -4.860 -2.828 1.00 65.23 C ATOM 26 CD GLN A 2 0.865 -5.941 -3.436 1.00 52.41 C ATOM 27 OE1 GLN A 2 -0.357 -5.925 -3.287 1.00 14.50 O ATOM 28 NE2 GLN A 2 1.489 -6.888 -4.126 1.00 42.45 N ATOM 0 H GLN A 2 2.537 -1.140 -3.789 1.00 63.43 H new ATOM 0 HA GLN A 2 3.817 -3.407 -2.391 1.00 61.42 H new ATOM 0 HB2 GLN A 2 1.579 -3.384 -4.369 1.00 14.31 H new ATOM 0 HB3 GLN A 2 2.836 -4.573 -4.642 1.00 14.31 H new ATOM 0 HG2 GLN A 2 2.525 -5.325 -2.235 1.00 65.23 H new ATOM 0 HG3 GLN A 2 1.138 -4.257 -2.145 1.00 65.23 H new ATOM 0 HE21 GLN A 2 2.504 -6.862 -4.224 1.00 42.45 H new ATOM 0 HE22 GLN A 2 0.954 -7.641 -4.558 1.00 42.45 H new ATOM 37 N CYS A 3 5.550 -3.658 -4.218 1.00 71.41 N ATOM 38 CA CYS A 3 6.698 -3.586 -5.114 1.00 21.24 C ATOM 39 C CYS A 3 7.066 -4.971 -5.640 1.00 14.24 C ATOM 40 O CYS A 3 6.911 -5.972 -4.942 1.00 73.10 O ATOM 41 CB CYS A 3 7.897 -2.968 -4.391 1.00 32.50 C ATOM 42 SG CYS A 3 7.483 -1.515 -3.373 1.00 64.23 S ATOM 0 H CYS A 3 5.597 -4.412 -3.533 1.00 71.41 H new ATOM 0 HA CYS A 3 6.427 -2.955 -5.961 1.00 21.24 H new ATOM 0 HB2 CYS A 3 8.354 -3.726 -3.755 1.00 32.50 H new ATOM 0 HB3 CYS A 3 8.644 -2.679 -5.130 1.00 32.50 H new ATOM 47 N ASN A 4 7.553 -5.018 -6.875 1.00 44.01 N ATOM 48 CA ASN A 4 7.943 -6.279 -7.495 1.00 71.13 C ATOM 49 C ASN A 4 9.260 -6.787 -6.915 1.00 54.35 C ATOM 50 O ASN A 4 10.021 -6.027 -6.315 1.00 60.23 O ATOM 51 CB ASN A 4 8.072 -6.108 -9.010 1.00 41.12 C ATOM 52 CG ASN A 4 6.743 -5.798 -9.672 1.00 65.05 C ATOM 53 OD1 ASN A 4 6.312 -4.546 -9.576 1.00 34.43 O flip ATOM 54 ND2 ASN A 4 6.113 -6.674 -10.264 1.00 45.32 N flip ATOM 0 H ASN A 4 7.687 -4.198 -7.466 1.00 44.01 H new ATOM 0 HA ASN A 4 7.166 -7.014 -7.284 1.00 71.13 H new ATOM 0 HB2 ASN A 4 8.777 -5.305 -9.224 1.00 41.12 H new ATOM 0 HB3 ASN A 4 8.486 -7.019 -9.442 1.00 41.12 H new ATOM 0 HD21 ASN A 4 6.483 -7.623 -10.313 1.00 45.32 H new ATOM 0 HD22 ASN A 4 5.221 -6.451 -10.706 1.00 45.32 H new ATOM 61 N THR A 5 9.523 -8.077 -7.099 1.00 52.13 N ATOM 62 CA THR A 5 10.746 -8.687 -6.595 1.00 5.23 C ATOM 63 C THR A 5 11.531 -9.355 -7.718 1.00 4.13 C ATOM 64 O THR A 5 10.963 -9.749 -8.737 1.00 42.33 O ATOM 65 CB THR A 5 10.445 -9.731 -5.503 1.00 0.41 C ATOM 66 OG1 THR A 5 9.885 -10.909 -6.093 1.00 14.11 O ATOM 67 CG2 THR A 5 9.482 -9.169 -4.468 1.00 2.51 C ATOM 0 H THR A 5 8.904 -8.720 -7.594 1.00 52.13 H new ATOM 0 HA THR A 5 11.345 -7.884 -6.165 1.00 5.23 H new ATOM 0 HB THR A 5 11.381 -9.984 -5.005 1.00 0.41 H new ATOM 0 HG1 THR A 5 9.204 -10.654 -6.750 1.00 14.11 H new ATOM 0 HG21 THR A 5 9.284 -9.924 -3.707 1.00 2.51 H new ATOM 0 HG22 THR A 5 9.924 -8.289 -4.000 1.00 2.51 H new ATOM 0 HG23 THR A 5 8.547 -8.891 -4.954 1.00 2.51 H new ATOM 75 N LEU A 6 12.840 -9.481 -7.525 1.00 53.20 N ATOM 76 CA LEU A 6 13.704 -10.103 -8.522 1.00 54.04 C ATOM 77 C LEU A 6 13.381 -11.586 -8.673 1.00 72.12 C ATOM 78 O LEU A 6 13.694 -12.199 -9.694 1.00 22.22 O ATOM 79 CB LEU A 6 15.173 -9.926 -8.135 1.00 12.11 C ATOM 80 CG LEU A 6 15.719 -10.915 -7.105 1.00 21.03 C ATOM 81 CD1 LEU A 6 16.307 -12.135 -7.796 1.00 22.41 C ATOM 82 CD2 LEU A 6 16.763 -10.245 -6.223 1.00 15.31 C ATOM 0 H LEU A 6 13.326 -9.161 -6.687 1.00 53.20 H new ATOM 0 HA LEU A 6 13.525 -9.612 -9.479 1.00 54.04 H new ATOM 0 HB2 LEU A 6 15.778 -10.002 -9.039 1.00 12.11 H new ATOM 0 HB3 LEU A 6 15.307 -8.916 -7.746 1.00 12.11 H new ATOM 0 HG LEU A 6 14.894 -11.243 -6.472 1.00 21.03 H new ATOM 0 HD11 LEU A 6 16.691 -12.828 -7.047 1.00 22.41 H new ATOM 0 HD12 LEU A 6 15.533 -12.628 -8.384 1.00 22.41 H new ATOM 0 HD13 LEU A 6 17.119 -11.825 -8.453 1.00 22.41 H new ATOM 0 HD21 LEU A 6 17.141 -10.964 -5.496 1.00 15.31 H new ATOM 0 HD22 LEU A 6 17.587 -9.888 -6.841 1.00 15.31 H new ATOM 0 HD23 LEU A 6 16.311 -9.403 -5.699 1.00 15.31 H new ATOM 94 N ASP A 7 12.751 -12.156 -7.652 1.00 1.12 N ATOM 95 CA ASP A 7 12.382 -13.567 -7.672 1.00 3.32 C ATOM 96 C ASP A 7 11.153 -13.795 -8.545 1.00 52.35 C ATOM 97 O ASP A 7 10.737 -14.932 -8.766 1.00 5.50 O ATOM 98 CB ASP A 7 12.114 -14.066 -6.251 1.00 55.22 C ATOM 99 CG ASP A 7 12.165 -15.578 -6.149 1.00 53.53 C ATOM 100 OD1 ASP A 7 12.430 -16.232 -7.179 1.00 23.54 O ATOM 101 OD2 ASP A 7 11.938 -16.106 -5.040 1.00 42.23 O ATOM 0 H ASP A 7 12.485 -11.663 -6.800 1.00 1.12 H new ATOM 0 HA ASP A 7 13.215 -14.129 -8.095 1.00 3.32 H new ATOM 0 HB2 ASP A 7 12.850 -13.634 -5.573 1.00 55.22 H new ATOM 0 HB3 ASP A 7 11.135 -13.716 -5.925 1.00 55.22 H new ATOM 106 N GLY A 8 10.574 -12.705 -9.040 1.00 13.51 N ATOM 107 CA GLY A 8 9.397 -12.807 -9.883 1.00 33.14 C ATOM 108 C GLY A 8 8.108 -12.649 -9.100 1.00 40.14 C ATOM 109 O GLY A 8 7.027 -12.562 -9.682 1.00 4.31 O ATOM 0 H GLY A 8 10.899 -11.753 -8.872 1.00 13.51 H new ATOM 0 HA2 GLY A 8 9.443 -12.044 -10.660 1.00 33.14 H new ATOM 0 HA3 GLY A 8 9.397 -13.774 -10.386 1.00 33.14 H new ATOM 113 N GLY A 9 8.222 -12.613 -7.776 1.00 73.40 N ATOM 114 CA GLY A 9 7.049 -12.467 -6.934 1.00 55.35 C ATOM 115 C GLY A 9 6.791 -11.025 -6.546 1.00 14.53 C ATOM 116 O GLY A 9 7.546 -10.127 -6.920 1.00 63.23 O ATOM 0 H GLY A 9 9.106 -12.682 -7.271 1.00 73.40 H new ATOM 0 HA2 GLY A 9 6.178 -12.861 -7.458 1.00 55.35 H new ATOM 0 HA3 GLY A 9 7.176 -13.066 -6.032 1.00 55.35 H new ATOM 120 N THR A 10 5.718 -10.799 -5.793 1.00 4.25 N ATOM 121 CA THR A 10 5.361 -9.455 -5.355 1.00 73.42 C ATOM 122 C THR A 10 5.534 -9.304 -3.848 1.00 54.53 C ATOM 123 O THR A 10 5.294 -10.242 -3.090 1.00 32.24 O ATOM 124 CB THR A 10 3.907 -9.111 -5.731 1.00 43.40 C ATOM 125 OG1 THR A 10 3.081 -10.274 -5.610 1.00 12.32 O ATOM 126 CG2 THR A 10 3.829 -8.572 -7.152 1.00 32.43 C ATOM 0 H THR A 10 5.082 -11.529 -5.474 1.00 4.25 H new ATOM 0 HA THR A 10 6.034 -8.766 -5.865 1.00 73.42 H new ATOM 0 HB THR A 10 3.550 -8.341 -5.047 1.00 43.40 H new ATOM 0 HG1 THR A 10 2.158 -10.046 -5.849 1.00 12.32 H new ATOM 0 HG21 THR A 10 2.793 -8.336 -7.395 1.00 32.43 H new ATOM 0 HG22 THR A 10 4.435 -7.670 -7.233 1.00 32.43 H new ATOM 0 HG23 THR A 10 4.203 -9.324 -7.847 1.00 32.43 H new ATOM 134 N GLU A 11 5.951 -8.115 -3.422 1.00 34.52 N ATOM 135 CA GLU A 11 6.155 -7.842 -2.004 1.00 62.21 C ATOM 136 C GLU A 11 5.373 -6.606 -1.570 1.00 33.22 C ATOM 137 O GLU A 11 5.199 -5.666 -2.344 1.00 41.20 O ATOM 138 CB GLU A 11 7.644 -7.646 -1.709 1.00 71.54 C ATOM 139 CG GLU A 11 8.251 -6.446 -2.415 1.00 43.31 C ATOM 140 CD GLU A 11 9.523 -5.959 -1.748 1.00 12.52 C ATOM 141 OE1 GLU A 11 10.448 -6.777 -1.567 1.00 65.32 O ATOM 142 OE2 GLU A 11 9.592 -4.760 -1.406 1.00 43.41 O ATOM 0 H GLU A 11 6.154 -7.327 -4.037 1.00 34.52 H new ATOM 0 HA GLU A 11 5.789 -8.699 -1.439 1.00 62.21 H new ATOM 0 HB2 GLU A 11 7.781 -7.532 -0.634 1.00 71.54 H new ATOM 0 HB3 GLU A 11 8.186 -8.544 -2.006 1.00 71.54 H new ATOM 0 HG2 GLU A 11 8.466 -6.709 -3.451 1.00 43.31 H new ATOM 0 HG3 GLU A 11 7.523 -5.635 -2.436 1.00 43.31 H new ATOM 149 N GLU A 12 4.903 -6.617 -0.326 1.00 73.32 N ATOM 150 CA GLU A 12 4.138 -5.498 0.210 1.00 34.04 C ATOM 151 C GLU A 12 5.062 -4.459 0.839 1.00 54.21 C ATOM 152 O GLU A 12 5.717 -4.723 1.847 1.00 65.20 O ATOM 153 CB GLU A 12 3.128 -5.993 1.248 1.00 12.32 C ATOM 154 CG GLU A 12 3.757 -6.793 2.376 1.00 12.13 C ATOM 155 CD GLU A 12 3.440 -6.221 3.744 1.00 3.34 C ATOM 156 OE1 GLU A 12 2.252 -6.220 4.127 1.00 31.25 O ATOM 157 OE2 GLU A 12 4.382 -5.773 4.432 1.00 21.51 O ATOM 0 H GLU A 12 5.039 -7.388 0.328 1.00 73.32 H new ATOM 0 HA GLU A 12 3.601 -5.030 -0.615 1.00 34.04 H new ATOM 0 HB2 GLU A 12 2.604 -5.136 1.670 1.00 12.32 H new ATOM 0 HB3 GLU A 12 2.380 -6.610 0.750 1.00 12.32 H new ATOM 0 HG2 GLU A 12 3.404 -7.823 2.326 1.00 12.13 H new ATOM 0 HG3 GLU A 12 4.838 -6.819 2.239 1.00 12.13 H new ATOM 164 N CYS A 13 5.108 -3.276 0.236 1.00 45.32 N ATOM 165 CA CYS A 13 5.952 -2.196 0.734 1.00 51.12 C ATOM 166 C CYS A 13 5.186 -1.318 1.720 1.00 64.40 C ATOM 167 O CYS A 13 4.257 -0.606 1.340 1.00 12.32 O ATOM 168 CB CYS A 13 6.467 -1.345 -0.429 1.00 22.50 C ATOM 169 SG CYS A 13 7.734 -2.168 -1.447 1.00 42.13 S ATOM 0 H CYS A 13 4.571 -3.041 -0.598 1.00 45.32 H new ATOM 0 HA CYS A 13 6.800 -2.642 1.253 1.00 51.12 H new ATOM 0 HB2 CYS A 13 5.626 -1.071 -1.066 1.00 22.50 H new ATOM 0 HB3 CYS A 13 6.881 -0.418 -0.032 1.00 22.50 H new ATOM 174 N ILE A 14 5.584 -1.376 2.986 1.00 10.25 N ATOM 175 CA ILE A 14 4.937 -0.586 4.026 1.00 13.24 C ATOM 176 C ILE A 14 5.399 0.867 3.981 1.00 75.21 C ATOM 177 O ILE A 14 6.557 1.167 3.691 1.00 11.12 O ATOM 178 CB ILE A 14 5.220 -1.159 5.427 1.00 30.14 C ATOM 179 CG1 ILE A 14 6.728 -1.254 5.668 1.00 20.21 C ATOM 180 CG2 ILE A 14 4.566 -2.524 5.583 1.00 2.03 C ATOM 181 CD1 ILE A 14 7.090 -1.662 7.079 1.00 42.00 C ATOM 0 H ILE A 14 6.351 -1.962 3.316 1.00 10.25 H new ATOM 0 HA ILE A 14 3.865 -0.630 3.834 1.00 13.24 H new ATOM 0 HB ILE A 14 4.794 -0.486 6.171 1.00 30.14 H new ATOM 0 HG12 ILE A 14 7.155 -1.974 4.970 1.00 20.21 H new ATOM 0 HG13 ILE A 14 7.184 -0.289 5.449 1.00 20.21 H new ATOM 0 HG21 ILE A 14 4.775 -2.916 6.578 1.00 2.03 H new ATOM 0 HG22 ILE A 14 3.488 -2.429 5.450 1.00 2.03 H new ATOM 0 HG23 ILE A 14 4.965 -3.207 4.833 1.00 2.03 H new ATOM 0 HD11 ILE A 14 8.175 -1.709 7.177 1.00 42.00 H new ATOM 0 HD12 ILE A 14 6.693 -0.930 7.783 1.00 42.00 H new ATOM 0 HD13 ILE A 14 6.663 -2.641 7.295 1.00 42.00 H new ATOM 193 N PRO A 15 4.473 1.792 4.275 1.00 33.45 N ATOM 194 CA PRO A 15 4.762 3.229 4.278 1.00 70.45 C ATOM 195 C PRO A 15 5.675 3.635 5.429 1.00 23.52 C ATOM 196 O PRO A 15 5.220 4.182 6.432 1.00 12.31 O ATOM 197 CB PRO A 15 3.381 3.868 4.439 1.00 12.25 C ATOM 198 CG PRO A 15 2.561 2.830 5.124 1.00 15.12 C ATOM 199 CD PRO A 15 3.072 1.505 4.630 1.00 44.41 C ATOM 0 HA PRO A 15 5.288 3.541 3.376 1.00 70.45 H new ATOM 0 HB2 PRO A 15 3.435 4.783 5.029 1.00 12.25 H new ATOM 0 HB3 PRO A 15 2.954 4.136 3.473 1.00 12.25 H new ATOM 0 HG2 PRO A 15 2.659 2.907 6.207 1.00 15.12 H new ATOM 0 HG3 PRO A 15 1.503 2.952 4.891 1.00 15.12 H new ATOM 0 HD2 PRO A 15 3.002 0.735 5.398 1.00 44.41 H new ATOM 0 HD3 PRO A 15 2.504 1.150 3.770 1.00 44.41 H new ATOM 207 N GLY A 16 6.968 3.362 5.278 1.00 40.33 N ATOM 208 CA GLY A 16 7.925 3.707 6.313 1.00 32.41 C ATOM 209 C GLY A 16 9.358 3.476 5.878 1.00 63.13 C ATOM 210 O GLY A 16 10.122 4.426 5.707 1.00 45.31 O ATOM 0 H GLY A 16 7.369 2.908 4.457 1.00 40.33 H new ATOM 0 HA2 GLY A 16 7.796 4.754 6.588 1.00 32.41 H new ATOM 0 HA3 GLY A 16 7.720 3.115 7.205 1.00 32.41 H new ATOM 214 N ILE A 17 9.725 2.211 5.699 1.00 14.24 N ATOM 215 CA ILE A 17 11.076 1.859 5.282 1.00 1.51 C ATOM 216 C ILE A 17 11.169 1.737 3.765 1.00 74.21 C ATOM 217 O ILE A 17 12.223 1.975 3.175 1.00 11.35 O ATOM 218 CB ILE A 17 11.536 0.536 5.922 1.00 45.31 C ATOM 219 CG1 ILE A 17 11.459 0.628 7.447 1.00 1.12 C ATOM 220 CG2 ILE A 17 12.951 0.197 5.477 1.00 3.13 C ATOM 221 CD1 ILE A 17 12.528 1.510 8.055 1.00 72.35 C ATOM 0 H ILE A 17 9.105 1.413 5.836 1.00 14.24 H new ATOM 0 HA ILE A 17 11.730 2.663 5.620 1.00 1.51 H new ATOM 0 HB ILE A 17 10.871 -0.262 5.591 1.00 45.31 H new ATOM 0 HG12 ILE A 17 10.479 1.011 7.731 1.00 1.12 H new ATOM 0 HG13 ILE A 17 11.543 -0.374 7.868 1.00 1.12 H new ATOM 0 HG21 ILE A 17 13.262 -0.741 5.937 1.00 3.13 H new ATOM 0 HG22 ILE A 17 12.977 0.095 4.392 1.00 3.13 H new ATOM 0 HG23 ILE A 17 13.629 0.994 5.782 1.00 3.13 H new ATOM 0 HD11 ILE A 17 12.412 1.528 9.139 1.00 72.35 H new ATOM 0 HD12 ILE A 17 13.512 1.116 7.802 1.00 72.35 H new ATOM 0 HD13 ILE A 17 12.431 2.522 7.663 1.00 72.35 H new ATOM 233 N TYR A 18 10.058 1.365 3.138 1.00 11.14 N ATOM 234 CA TYR A 18 10.013 1.210 1.689 1.00 2.13 C ATOM 235 C TYR A 18 9.017 2.184 1.068 1.00 73.03 C ATOM 236 O TYR A 18 7.829 1.884 0.952 1.00 43.45 O ATOM 237 CB TYR A 18 9.638 -0.226 1.320 1.00 34.03 C ATOM 238 CG TYR A 18 10.347 -1.270 2.152 1.00 22.32 C ATOM 239 CD1 TYR A 18 11.664 -1.088 2.557 1.00 53.11 C ATOM 240 CD2 TYR A 18 9.700 -2.439 2.535 1.00 63.25 C ATOM 241 CE1 TYR A 18 12.316 -2.040 3.316 1.00 11.23 C ATOM 242 CE2 TYR A 18 10.344 -3.396 3.295 1.00 3.13 C ATOM 243 CZ TYR A 18 11.652 -3.192 3.683 1.00 1.22 C ATOM 244 OH TYR A 18 12.298 -4.142 4.441 1.00 51.31 O ATOM 0 H TYR A 18 9.177 1.165 3.611 1.00 11.14 H new ATOM 0 HA TYR A 18 11.004 1.432 1.294 1.00 2.13 H new ATOM 0 HB2 TYR A 18 8.561 -0.352 1.434 1.00 34.03 H new ATOM 0 HB3 TYR A 18 9.869 -0.394 0.268 1.00 34.03 H new ATOM 0 HD1 TYR A 18 12.187 -0.186 2.273 1.00 53.11 H new ATOM 0 HD2 TYR A 18 8.676 -2.602 2.233 1.00 63.25 H new ATOM 0 HE1 TYR A 18 13.340 -1.883 3.621 1.00 11.23 H new ATOM 0 HE2 TYR A 18 9.826 -4.299 3.584 1.00 3.13 H new ATOM 0 HH TYR A 18 11.690 -4.891 4.614 1.00 51.31 H new ATOM 254 N ASN A 19 9.511 3.352 0.669 1.00 33.32 N ATOM 255 CA ASN A 19 8.665 4.371 0.059 1.00 51.11 C ATOM 256 C ASN A 19 9.010 4.553 -1.416 1.00 70.31 C ATOM 257 O ASN A 19 8.278 5.205 -2.161 1.00 34.45 O ATOM 258 CB ASN A 19 8.820 5.702 0.798 1.00 21.31 C ATOM 259 CG ASN A 19 10.036 6.481 0.336 1.00 51.41 C ATOM 260 OD1 ASN A 19 9.928 7.392 -0.486 1.00 12.05 O ATOM 261 ND2 ASN A 19 11.202 6.126 0.863 1.00 12.31 N ATOM 0 H ASN A 19 10.492 3.616 0.757 1.00 33.32 H new ATOM 0 HA ASN A 19 7.629 4.040 0.134 1.00 51.11 H new ATOM 0 HB2 ASN A 19 7.925 6.306 0.645 1.00 21.31 H new ATOM 0 HB3 ASN A 19 8.898 5.513 1.869 1.00 21.31 H new ATOM 0 HD21 ASN A 19 12.055 6.614 0.590 1.00 12.31 H new ATOM 0 HD22 ASN A 19 11.245 5.365 1.541 1.00 12.31 H new ATOM 268 N VAL A 20 10.130 3.971 -1.832 1.00 64.11 N ATOM 269 CA VAL A 20 10.572 4.067 -3.218 1.00 65.52 C ATOM 270 C VAL A 20 10.568 2.699 -3.892 1.00 71.00 C ATOM 271 O VAL A 20 10.334 1.677 -3.246 1.00 52.11 O ATOM 272 CB VAL A 20 11.986 4.670 -3.316 1.00 41.21 C ATOM 273 CG1 VAL A 20 11.976 6.127 -2.879 1.00 41.24 C ATOM 274 CG2 VAL A 20 12.969 3.862 -2.483 1.00 20.03 C ATOM 0 H VAL A 20 10.748 3.428 -1.229 1.00 64.11 H new ATOM 0 HA VAL A 20 9.868 4.724 -3.730 1.00 65.52 H new ATOM 0 HB VAL A 20 12.308 4.629 -4.357 1.00 41.21 H new ATOM 0 HG11 VAL A 20 12.983 6.537 -2.955 1.00 41.24 H new ATOM 0 HG12 VAL A 20 11.304 6.695 -3.522 1.00 41.24 H new ATOM 0 HG13 VAL A 20 11.634 6.195 -1.846 1.00 41.24 H new ATOM 0 HG21 VAL A 20 13.963 4.302 -2.564 1.00 20.03 H new ATOM 0 HG22 VAL A 20 12.653 3.869 -1.440 1.00 20.03 H new ATOM 0 HG23 VAL A 20 12.996 2.835 -2.847 1.00 20.03 H new ATOM 284 N CYS A 21 10.829 2.687 -5.195 1.00 33.31 N ATOM 285 CA CYS A 21 10.855 1.445 -5.958 1.00 62.03 C ATOM 286 C CYS A 21 11.741 1.584 -7.193 1.00 53.43 C ATOM 287 O CYS A 21 11.779 2.639 -7.827 1.00 43.11 O ATOM 288 CB CYS A 21 9.438 1.048 -6.376 1.00 13.22 C ATOM 289 SG CYS A 21 8.459 2.415 -7.077 1.00 41.23 S ATOM 0 H CYS A 21 11.025 3.524 -5.744 1.00 33.31 H new ATOM 0 HA CYS A 21 11.270 0.665 -5.320 1.00 62.03 H new ATOM 0 HB2 CYS A 21 9.499 0.245 -7.111 1.00 13.22 H new ATOM 0 HB3 CYS A 21 8.914 0.647 -5.508 1.00 13.22 H new ATOM 294 N VAL A 22 12.451 0.512 -7.529 1.00 40.35 N ATOM 295 CA VAL A 22 13.335 0.514 -8.689 1.00 22.32 C ATOM 296 C VAL A 22 13.168 -0.760 -9.509 1.00 74.22 C ATOM 297 O VAL A 22 13.051 -1.855 -8.958 1.00 74.45 O ATOM 298 CB VAL A 22 14.811 0.651 -8.269 1.00 72.31 C ATOM 299 CG1 VAL A 22 15.725 0.061 -9.332 1.00 43.31 C ATOM 300 CG2 VAL A 22 15.156 2.109 -8.006 1.00 22.55 C ATOM 0 H VAL A 22 12.432 -0.369 -7.015 1.00 40.35 H new ATOM 0 HA VAL A 22 13.057 1.374 -9.298 1.00 22.32 H new ATOM 0 HB VAL A 22 14.962 0.093 -7.345 1.00 72.31 H new ATOM 0 HG11 VAL A 22 16.764 0.167 -9.018 1.00 43.31 H new ATOM 0 HG12 VAL A 22 15.492 -0.995 -9.466 1.00 43.31 H new ATOM 0 HG13 VAL A 22 15.575 0.588 -10.274 1.00 43.31 H new ATOM 0 HG21 VAL A 22 16.202 2.188 -7.710 1.00 22.55 H new ATOM 0 HG22 VAL A 22 14.990 2.691 -8.912 1.00 22.55 H new ATOM 0 HG23 VAL A 22 14.523 2.494 -7.206 1.00 22.55 H new ATOM 310 N HIS A 23 13.157 -0.610 -10.830 1.00 4.00 N ATOM 311 CA HIS A 23 13.005 -1.749 -11.728 1.00 23.41 C ATOM 312 C HIS A 23 14.195 -1.856 -12.677 1.00 24.14 C ATOM 313 O HIS A 23 14.378 -1.015 -13.557 1.00 14.42 O ATOM 314 CB HIS A 23 11.709 -1.625 -12.529 1.00 41.21 C ATOM 315 CG HIS A 23 11.477 -2.763 -13.474 1.00 63.31 C ATOM 316 ND1 HIS A 23 10.500 -2.747 -14.447 1.00 33.15 N ATOM 317 CD2 HIS A 23 12.104 -3.957 -13.593 1.00 4.01 C ATOM 318 CE1 HIS A 23 10.534 -3.882 -15.121 1.00 64.25 C ATOM 319 NE2 HIS A 23 11.500 -4.634 -14.624 1.00 12.25 N ATOM 0 H HIS A 23 13.252 0.289 -11.302 1.00 4.00 H new ATOM 0 HA HIS A 23 12.964 -2.654 -11.122 1.00 23.41 H new ATOM 0 HB2 HIS A 23 10.869 -1.561 -11.837 1.00 41.21 H new ATOM 0 HB3 HIS A 23 11.729 -0.693 -13.094 1.00 41.21 H new ATOM 0 HD2 HIS A 23 12.926 -4.311 -12.989 1.00 4.01 H new ATOM 0 HE1 HIS A 23 9.883 -4.150 -15.940 1.00 64.25 H new ATOM 0 HE2 HIS A 23 11.755 -5.565 -14.952 1.00 12.25 H new ATOM 327 N TYR A 24 15.002 -2.895 -12.491 1.00 4.41 N ATOM 328 CA TYR A 24 16.177 -3.109 -13.328 1.00 32.40 C ATOM 329 C TYR A 24 15.917 -4.202 -14.361 1.00 3.13 C ATOM 330 O TYR A 24 15.699 -5.363 -14.013 1.00 40.33 O ATOM 331 CB TYR A 24 17.383 -3.484 -12.465 1.00 33.12 C ATOM 332 CG TYR A 24 18.687 -3.522 -13.230 1.00 15.44 C ATOM 333 CD1 TYR A 24 18.958 -4.545 -14.128 1.00 65.54 C ATOM 334 CD2 TYR A 24 19.646 -2.532 -13.054 1.00 22.12 C ATOM 335 CE1 TYR A 24 20.149 -4.584 -14.829 1.00 13.15 C ATOM 336 CE2 TYR A 24 20.839 -2.562 -13.751 1.00 14.32 C ATOM 337 CZ TYR A 24 21.085 -3.590 -14.637 1.00 4.25 C ATOM 338 OH TYR A 24 22.272 -3.624 -15.333 1.00 54.21 O ATOM 0 H TYR A 24 14.864 -3.602 -11.769 1.00 4.41 H new ATOM 0 HA TYR A 24 16.391 -2.179 -13.855 1.00 32.40 H new ATOM 0 HB2 TYR A 24 17.471 -2.768 -11.648 1.00 33.12 H new ATOM 0 HB3 TYR A 24 17.207 -4.461 -12.015 1.00 33.12 H new ATOM 0 HD1 TYR A 24 18.226 -5.324 -14.282 1.00 65.54 H new ATOM 0 HD2 TYR A 24 19.456 -1.726 -12.361 1.00 22.12 H new ATOM 0 HE1 TYR A 24 20.345 -5.388 -15.523 1.00 13.15 H new ATOM 0 HE2 TYR A 24 21.574 -1.785 -13.603 1.00 14.32 H new ATOM 0 HH TYR A 24 22.097 -3.867 -16.266 1.00 54.21 H new ATOM 348 N LYS A 25 15.943 -3.822 -15.634 1.00 3.34 N ATOM 349 CA LYS A 25 15.713 -4.767 -16.720 1.00 2.22 C ATOM 350 C LYS A 25 16.834 -4.693 -17.752 1.00 23.35 C ATOM 351 O LYS A 25 17.015 -3.672 -18.414 1.00 54.15 O ATOM 352 CB LYS A 25 14.368 -4.485 -17.392 1.00 54.12 C ATOM 353 CG LYS A 25 14.000 -5.496 -18.465 1.00 0.24 C ATOM 354 CD LYS A 25 12.665 -5.163 -19.110 1.00 64.24 C ATOM 355 CE LYS A 25 12.812 -4.079 -20.167 1.00 63.33 C ATOM 356 NZ LYS A 25 12.664 -2.716 -19.588 1.00 15.43 N ATOM 0 H LYS A 25 16.121 -2.865 -15.939 1.00 3.34 H new ATOM 0 HA LYS A 25 15.698 -5.772 -16.297 1.00 2.22 H new ATOM 0 HB2 LYS A 25 13.587 -4.474 -16.632 1.00 54.12 H new ATOM 0 HB3 LYS A 25 14.395 -3.490 -17.836 1.00 54.12 H new ATOM 0 HG2 LYS A 25 14.778 -5.518 -19.228 1.00 0.24 H new ATOM 0 HG3 LYS A 25 13.955 -6.493 -18.027 1.00 0.24 H new ATOM 0 HD2 LYS A 25 12.245 -6.061 -19.564 1.00 64.24 H new ATOM 0 HD3 LYS A 25 11.962 -4.834 -18.345 1.00 64.24 H new ATOM 0 HE2 LYS A 25 13.788 -4.167 -20.644 1.00 63.33 H new ATOM 0 HE3 LYS A 25 12.063 -4.226 -20.945 1.00 63.33 H new ATOM 0 HZ1 LYS A 25 11.956 -2.183 -20.132 1.00 15.43 H new ATOM 0 HZ2 LYS A 25 12.355 -2.791 -18.598 1.00 15.43 H new ATOM 0 HZ3 LYS A 25 13.577 -2.220 -19.629 1.00 15.43 H new ATOM 370 N SER A 26 17.584 -5.783 -17.883 1.00 31.11 N ATOM 371 CA SER A 26 18.689 -5.841 -18.833 1.00 11.14 C ATOM 372 C SER A 26 18.636 -7.128 -19.650 1.00 55.34 C ATOM 373 O SER A 26 17.990 -8.099 -19.257 1.00 51.42 O ATOM 374 CB SER A 26 20.027 -5.746 -18.097 1.00 50.20 C ATOM 375 OG SER A 26 20.305 -4.410 -17.714 1.00 15.01 O ATOM 0 H SER A 26 17.446 -6.638 -17.343 1.00 31.11 H new ATOM 0 HA SER A 26 18.595 -4.995 -19.514 1.00 11.14 H new ATOM 0 HB2 SER A 26 20.006 -6.384 -17.213 1.00 50.20 H new ATOM 0 HB3 SER A 26 20.826 -6.117 -18.739 1.00 50.20 H new ATOM 0 HG SER A 26 19.920 -4.236 -16.830 1.00 15.01 H new ATOM 381 N GLU A 27 19.319 -7.126 -20.790 1.00 44.25 N ATOM 382 CA GLU A 27 19.349 -8.293 -21.664 1.00 43.45 C ATOM 383 C GLU A 27 20.257 -9.378 -21.092 1.00 54.03 C ATOM 384 O GLU A 27 20.213 -10.530 -21.525 1.00 5.22 O ATOM 385 CB GLU A 27 19.828 -7.898 -23.063 1.00 53.32 C ATOM 386 CG GLU A 27 21.284 -7.467 -23.109 1.00 61.03 C ATOM 387 CD GLU A 27 21.636 -6.738 -24.391 1.00 45.51 C ATOM 388 OE1 GLU A 27 20.950 -6.962 -25.410 1.00 4.11 O ATOM 389 OE2 GLU A 27 22.599 -5.942 -24.375 1.00 11.34 O ATOM 0 H GLU A 27 19.859 -6.330 -21.130 1.00 44.25 H new ATOM 0 HA GLU A 27 18.336 -8.690 -21.733 1.00 43.45 H new ATOM 0 HB2 GLU A 27 19.686 -8.742 -23.738 1.00 53.32 H new ATOM 0 HB3 GLU A 27 19.205 -7.084 -23.435 1.00 53.32 H new ATOM 0 HG2 GLU A 27 21.494 -6.820 -22.258 1.00 61.03 H new ATOM 0 HG3 GLU A 27 21.922 -8.345 -23.007 1.00 61.03 H new ATOM 396 N ASP A 28 21.077 -9.001 -20.118 1.00 64.40 N ATOM 397 CA ASP A 28 21.995 -9.942 -19.485 1.00 43.44 C ATOM 398 C ASP A 28 21.471 -10.379 -18.121 1.00 52.42 C ATOM 399 O ASP A 28 21.810 -11.455 -17.632 1.00 21.33 O ATOM 400 CB ASP A 28 23.381 -9.312 -19.335 1.00 51.41 C ATOM 401 CG ASP A 28 24.499 -10.308 -19.572 1.00 53.02 C ATOM 402 OD1 ASP A 28 24.793 -10.600 -20.750 1.00 64.43 O ATOM 403 OD2 ASP A 28 25.079 -10.795 -18.580 1.00 5.31 O ATOM 0 H ASP A 28 21.125 -8.051 -19.749 1.00 64.40 H new ATOM 0 HA ASP A 28 22.071 -10.822 -20.123 1.00 43.44 H new ATOM 0 HB2 ASP A 28 23.479 -8.486 -20.039 1.00 51.41 H new ATOM 0 HB3 ASP A 28 23.479 -8.891 -18.334 1.00 51.41 H new ATOM 408 N GLU A 29 20.643 -9.535 -17.513 1.00 51.21 N ATOM 409 CA GLU A 29 20.074 -9.834 -16.204 1.00 73.23 C ATOM 410 C GLU A 29 18.823 -8.998 -15.951 1.00 12.21 C ATOM 411 O GLU A 29 18.559 -8.028 -16.660 1.00 52.41 O ATOM 412 CB GLU A 29 21.105 -9.576 -15.104 1.00 11.22 C ATOM 413 CG GLU A 29 21.342 -8.101 -14.826 1.00 44.14 C ATOM 414 CD GLU A 29 22.654 -7.846 -14.110 1.00 44.12 C ATOM 415 OE1 GLU A 29 22.994 -8.630 -13.199 1.00 43.40 O ATOM 416 OE2 GLU A 29 23.341 -6.863 -14.460 1.00 71.42 O ATOM 0 H GLU A 29 20.352 -8.640 -17.906 1.00 51.21 H new ATOM 0 HA GLU A 29 19.795 -10.888 -16.190 1.00 73.23 H new ATOM 0 HB2 GLU A 29 20.774 -10.061 -14.186 1.00 11.22 H new ATOM 0 HB3 GLU A 29 22.050 -10.040 -15.387 1.00 11.22 H new ATOM 0 HG2 GLU A 29 21.333 -7.552 -15.767 1.00 44.14 H new ATOM 0 HG3 GLU A 29 20.522 -7.712 -14.223 1.00 44.14 H new ATOM 423 N GLU A 30 18.057 -9.382 -14.935 1.00 34.52 N ATOM 424 CA GLU A 30 16.833 -8.669 -14.589 1.00 11.01 C ATOM 425 C GLU A 30 16.467 -8.895 -13.125 1.00 11.23 C ATOM 426 O GLU A 30 16.325 -10.033 -12.678 1.00 33.14 O ATOM 427 CB GLU A 30 15.681 -9.120 -15.489 1.00 61.34 C ATOM 428 CG GLU A 30 14.353 -8.461 -15.156 1.00 4.11 C ATOM 429 CD GLU A 30 13.211 -8.988 -16.003 1.00 44.51 C ATOM 430 OE1 GLU A 30 13.196 -8.707 -17.220 1.00 21.23 O ATOM 431 OE2 GLU A 30 12.333 -9.681 -15.448 1.00 52.35 O ATOM 0 H GLU A 30 18.262 -10.183 -14.337 1.00 34.52 H new ATOM 0 HA GLU A 30 17.008 -7.604 -14.742 1.00 11.01 H new ATOM 0 HB2 GLU A 30 15.935 -8.902 -16.526 1.00 61.34 H new ATOM 0 HB3 GLU A 30 15.570 -10.201 -15.409 1.00 61.34 H new ATOM 0 HG2 GLU A 30 14.125 -8.625 -14.103 1.00 4.11 H new ATOM 0 HG3 GLU A 30 14.440 -7.384 -15.300 1.00 4.11 H new ATOM 438 N TYR A 31 16.317 -7.803 -12.384 1.00 14.33 N ATOM 439 CA TYR A 31 15.970 -7.880 -10.969 1.00 63.44 C ATOM 440 C TYR A 31 15.306 -6.590 -10.499 1.00 41.25 C ATOM 441 O TYR A 31 15.400 -5.553 -11.157 1.00 60.44 O ATOM 442 CB TYR A 31 17.219 -8.159 -10.132 1.00 3.25 C ATOM 443 CG TYR A 31 18.259 -7.064 -10.212 1.00 51.21 C ATOM 444 CD1 TYR A 31 18.115 -5.887 -9.488 1.00 13.11 C ATOM 445 CD2 TYR A 31 19.386 -7.207 -11.012 1.00 2.21 C ATOM 446 CE1 TYR A 31 19.062 -4.884 -9.559 1.00 54.33 C ATOM 447 CE2 TYR A 31 20.339 -6.209 -11.088 1.00 61.42 C ATOM 448 CZ TYR A 31 20.172 -5.050 -10.360 1.00 40.35 C ATOM 449 OH TYR A 31 21.118 -4.053 -10.433 1.00 63.31 O ATOM 0 H TYR A 31 16.430 -6.854 -12.739 1.00 14.33 H new ATOM 0 HA TYR A 31 15.262 -8.699 -10.838 1.00 63.44 H new ATOM 0 HB2 TYR A 31 16.926 -8.294 -9.091 1.00 3.25 H new ATOM 0 HB3 TYR A 31 17.665 -9.097 -10.462 1.00 3.25 H new ATOM 0 HD1 TYR A 31 17.247 -5.754 -8.859 1.00 13.11 H new ATOM 0 HD2 TYR A 31 19.520 -8.113 -11.584 1.00 2.21 H new ATOM 0 HE1 TYR A 31 18.934 -3.975 -8.990 1.00 54.33 H new ATOM 0 HE2 TYR A 31 21.210 -6.336 -11.714 1.00 61.42 H new ATOM 0 HH TYR A 31 20.904 -3.453 -11.178 1.00 63.31 H new ATOM 459 N LYS A 32 14.634 -6.661 -9.355 1.00 45.42 N ATOM 460 CA LYS A 32 13.955 -5.499 -8.793 1.00 61.41 C ATOM 461 C LYS A 32 14.152 -5.433 -7.282 1.00 53.40 C ATOM 462 O LYS A 32 13.996 -6.433 -6.582 1.00 2.25 O ATOM 463 CB LYS A 32 12.461 -5.548 -9.122 1.00 62.10 C ATOM 464 CG LYS A 32 12.167 -5.576 -10.612 1.00 1.01 C ATOM 465 CD LYS A 32 10.796 -6.165 -10.899 1.00 21.14 C ATOM 466 CE LYS A 32 10.794 -6.968 -12.190 1.00 74.14 C ATOM 467 NZ LYS A 32 9.779 -8.058 -12.164 1.00 41.12 N ATOM 0 H LYS A 32 14.545 -7.511 -8.799 1.00 45.42 H new ATOM 0 HA LYS A 32 14.390 -4.604 -9.238 1.00 61.41 H new ATOM 0 HB2 LYS A 32 12.024 -6.432 -8.657 1.00 62.10 H new ATOM 0 HB3 LYS A 32 11.971 -4.680 -8.680 1.00 62.10 H new ATOM 0 HG2 LYS A 32 12.220 -4.564 -11.013 1.00 1.01 H new ATOM 0 HG3 LYS A 32 12.930 -6.162 -11.123 1.00 1.01 H new ATOM 0 HD2 LYS A 32 10.493 -6.805 -10.071 1.00 21.14 H new ATOM 0 HD3 LYS A 32 10.061 -5.363 -10.967 1.00 21.14 H new ATOM 0 HE2 LYS A 32 10.592 -6.304 -13.030 1.00 74.14 H new ATOM 0 HE3 LYS A 32 11.783 -7.396 -12.353 1.00 74.14 H new ATOM 0 HZ1 LYS A 32 9.809 -8.582 -13.062 1.00 41.12 H new ATOM 0 HZ2 LYS A 32 9.986 -8.706 -11.378 1.00 41.12 H new ATOM 0 HZ3 LYS A 32 8.832 -7.648 -12.034 1.00 41.12 H new ATOM 481 N SER A 33 14.493 -4.248 -6.786 1.00 41.40 N ATOM 482 CA SER A 33 14.713 -4.051 -5.358 1.00 21.31 C ATOM 483 C SER A 33 14.794 -2.566 -5.020 1.00 11.21 C ATOM 484 O SER A 33 15.251 -1.757 -5.828 1.00 53.13 O ATOM 485 CB SER A 33 15.997 -4.757 -4.916 1.00 74.03 C ATOM 486 OG SER A 33 15.737 -6.097 -4.536 1.00 71.21 O ATOM 0 H SER A 33 14.623 -3.410 -7.352 1.00 41.40 H new ATOM 0 HA SER A 33 13.867 -4.482 -4.823 1.00 21.31 H new ATOM 0 HB2 SER A 33 16.723 -4.741 -5.729 1.00 74.03 H new ATOM 0 HB3 SER A 33 16.443 -4.218 -4.080 1.00 74.03 H new ATOM 0 HG SER A 33 15.099 -6.497 -5.163 1.00 71.21 H new ATOM 492 N CYS A 34 14.347 -2.214 -3.819 1.00 51.41 N ATOM 493 CA CYS A 34 14.367 -0.826 -3.372 1.00 21.23 C ATOM 494 C CYS A 34 13.788 -0.700 -1.966 1.00 13.44 C ATOM 495 O CYS A 34 13.559 -1.698 -1.285 1.00 31.42 O ATOM 496 CB CYS A 34 13.578 0.056 -4.342 1.00 22.25 C ATOM 497 SG CYS A 34 14.399 1.630 -4.750 1.00 72.04 S ATOM 0 H CYS A 34 13.966 -2.871 -3.138 1.00 51.41 H new ATOM 0 HA CYS A 34 15.404 -0.492 -3.350 1.00 21.23 H new ATOM 0 HB2 CYS A 34 13.404 -0.500 -5.263 1.00 22.25 H new ATOM 0 HB3 CYS A 34 12.601 0.270 -3.909 1.00 22.25 H new ATOM 0 HG CYS A 34 15.686 1.492 -4.631 1.00 72.04 H new ATOM 502 N GLY A 35 13.553 0.537 -1.537 1.00 54.14 N ATOM 503 CA GLY A 35 13.002 0.772 -0.215 1.00 41.24 C ATOM 504 C GLY A 35 13.108 2.224 0.207 1.00 4.11 C ATOM 505 O GLY A 35 12.133 2.972 0.134 1.00 74.35 O ATOM 0 H GLY A 35 13.734 1.380 -2.082 1.00 54.14 H new ATOM 0 HA2 GLY A 35 11.955 0.468 -0.202 1.00 41.24 H new ATOM 0 HA3 GLY A 35 13.524 0.147 0.509 1.00 41.24 H new ATOM 509 N ILE A 36 14.295 2.624 0.652 1.00 32.20 N ATOM 510 CA ILE A 36 14.524 3.996 1.088 1.00 31.44 C ATOM 511 C ILE A 36 15.282 4.790 0.030 1.00 20.31 C ATOM 512 O ILE A 36 16.311 4.343 -0.475 1.00 44.12 O ATOM 513 CB ILE A 36 15.312 4.041 2.411 1.00 51.51 C ATOM 514 CG1 ILE A 36 16.420 2.987 2.406 1.00 23.33 C ATOM 515 CG2 ILE A 36 14.377 3.830 3.592 1.00 31.02 C ATOM 516 CD1 ILE A 36 17.299 3.028 3.637 1.00 51.01 C ATOM 0 H ILE A 36 15.112 2.018 0.720 1.00 32.20 H new ATOM 0 HA ILE A 36 13.544 4.446 1.243 1.00 31.44 H new ATOM 0 HB ILE A 36 15.773 5.024 2.509 1.00 51.51 H new ATOM 0 HG12 ILE A 36 15.969 1.998 2.324 1.00 23.33 H new ATOM 0 HG13 ILE A 36 17.041 3.128 1.521 1.00 23.33 H new ATOM 0 HG21 ILE A 36 14.949 3.864 4.519 1.00 31.02 H new ATOM 0 HG22 ILE A 36 13.621 4.615 3.602 1.00 31.02 H new ATOM 0 HG23 ILE A 36 13.890 2.859 3.502 1.00 31.02 H new ATOM 0 HD11 ILE A 36 18.062 2.253 3.565 1.00 51.01 H new ATOM 0 HD12 ILE A 36 17.779 4.004 3.709 1.00 51.01 H new ATOM 0 HD13 ILE A 36 16.690 2.856 4.525 1.00 51.01 H new ATOM 528 N GLN A 37 14.766 5.970 -0.298 1.00 64.25 N ATOM 529 CA GLN A 37 15.396 6.827 -1.296 1.00 71.11 C ATOM 530 C GLN A 37 16.885 6.993 -1.010 1.00 14.15 C ATOM 531 O GLN A 37 17.691 7.131 -1.929 1.00 30.04 O ATOM 532 CB GLN A 37 14.714 8.196 -1.326 1.00 62.01 C ATOM 533 CG GLN A 37 15.139 9.061 -2.501 1.00 40.45 C ATOM 534 CD GLN A 37 14.070 9.158 -3.572 1.00 32.22 C ATOM 535 OE1 GLN A 37 13.850 8.063 -4.290 1.00 13.14 O flip ATOM 536 NE2 GLN A 37 13.448 10.205 -3.752 1.00 23.30 N flip ATOM 0 H GLN A 37 13.915 6.354 0.112 1.00 64.25 H new ATOM 0 HA GLN A 37 15.283 6.351 -2.270 1.00 71.11 H new ATOM 0 HB2 GLN A 37 13.634 8.054 -1.362 1.00 62.01 H new ATOM 0 HB3 GLN A 37 14.935 8.724 -0.398 1.00 62.01 H new ATOM 0 HG2 GLN A 37 15.380 10.062 -2.142 1.00 40.45 H new ATOM 0 HG3 GLN A 37 16.050 8.651 -2.938 1.00 40.45 H new ATOM 0 HE21 GLN A 37 13.649 11.023 -3.177 1.00 23.30 H new ATOM 0 HE22 GLN A 37 12.731 10.254 -4.476 1.00 23.30 H new ATOM 545 N GLU A 38 17.241 6.979 0.271 1.00 11.31 N ATOM 546 CA GLU A 38 18.633 7.130 0.678 1.00 62.14 C ATOM 547 C GLU A 38 19.499 6.028 0.073 1.00 53.22 C ATOM 548 O GLU A 38 20.629 6.273 -0.347 1.00 2.55 O ATOM 549 CB GLU A 38 18.748 7.104 2.203 1.00 11.22 C ATOM 550 CG GLU A 38 20.182 7.069 2.705 1.00 14.42 C ATOM 551 CD GLU A 38 20.307 7.532 4.144 1.00 44.12 C ATOM 552 OE1 GLU A 38 20.445 8.753 4.365 1.00 44.20 O ATOM 553 OE2 GLU A 38 20.267 6.672 5.049 1.00 44.04 O ATOM 0 H GLU A 38 16.585 6.865 1.044 1.00 11.31 H new ATOM 0 HA GLU A 38 18.990 8.092 0.311 1.00 62.14 H new ATOM 0 HB2 GLU A 38 18.250 7.984 2.611 1.00 11.22 H new ATOM 0 HB3 GLU A 38 18.217 6.232 2.584 1.00 11.22 H new ATOM 0 HG2 GLU A 38 20.569 6.054 2.619 1.00 14.42 H new ATOM 0 HG3 GLU A 38 20.801 7.701 2.069 1.00 14.42 H new ATOM 560 N GLU A 39 18.959 4.814 0.033 1.00 55.24 N ATOM 561 CA GLU A 39 19.682 3.675 -0.519 1.00 60.22 C ATOM 562 C GLU A 39 19.493 3.590 -2.031 1.00 55.41 C ATOM 563 O GLU A 39 20.442 3.340 -2.774 1.00 71.13 O ATOM 564 CB GLU A 39 19.211 2.376 0.138 1.00 15.01 C ATOM 565 CG GLU A 39 19.623 2.247 1.595 1.00 72.41 C ATOM 566 CD GLU A 39 21.088 1.892 1.757 1.00 21.21 C ATOM 567 OE1 GLU A 39 21.930 2.813 1.703 1.00 23.43 O ATOM 568 OE2 GLU A 39 21.393 0.694 1.938 1.00 52.44 O ATOM 0 H GLU A 39 18.024 4.594 0.376 1.00 55.24 H new ATOM 0 HA GLU A 39 20.742 3.816 -0.310 1.00 60.22 H new ATOM 0 HB2 GLU A 39 18.125 2.317 0.070 1.00 15.01 H new ATOM 0 HB3 GLU A 39 19.612 1.530 -0.420 1.00 15.01 H new ATOM 0 HG2 GLU A 39 19.421 3.186 2.110 1.00 72.41 H new ATOM 0 HG3 GLU A 39 19.012 1.482 2.075 1.00 72.41 H new ATOM 575 N CYS A 40 18.259 3.801 -2.479 1.00 65.25 N ATOM 576 CA CYS A 40 17.943 3.748 -3.902 1.00 30.04 C ATOM 577 C CYS A 40 18.696 4.832 -4.667 1.00 64.11 C ATOM 578 O CYS A 40 18.933 4.706 -5.868 1.00 53.42 O ATOM 579 CB CYS A 40 16.437 3.910 -4.117 1.00 31.44 C ATOM 580 SG CYS A 40 15.595 2.387 -4.655 1.00 70.51 S ATOM 0 H CYS A 40 17.462 4.010 -1.877 1.00 65.25 H new ATOM 0 HA CYS A 40 18.256 2.776 -4.282 1.00 30.04 H new ATOM 0 HB2 CYS A 40 15.983 4.255 -3.188 1.00 31.44 H new ATOM 0 HB3 CYS A 40 16.269 4.688 -4.862 1.00 31.44 H new ATOM 0 HG CYS A 40 14.312 2.522 -4.497 1.00 70.51 H new ATOM 585 N GLU A 41 19.071 5.895 -3.962 1.00 54.12 N ATOM 586 CA GLU A 41 19.797 7.001 -4.576 1.00 34.20 C ATOM 587 C GLU A 41 21.270 6.649 -4.759 1.00 2.10 C ATOM 588 O GLU A 41 22.042 7.432 -5.314 1.00 31.24 O ATOM 589 CB GLU A 41 19.665 8.263 -3.722 1.00 15.42 C ATOM 590 CG GLU A 41 20.273 9.499 -4.364 1.00 33.02 C ATOM 591 CD GLU A 41 19.605 10.782 -3.908 1.00 21.10 C ATOM 592 OE1 GLU A 41 18.359 10.851 -3.951 1.00 21.43 O ATOM 593 OE2 GLU A 41 20.330 11.717 -3.508 1.00 54.31 O ATOM 0 H GLU A 41 18.884 6.014 -2.966 1.00 54.12 H new ATOM 0 HA GLU A 41 19.361 7.188 -5.557 1.00 34.20 H new ATOM 0 HB2 GLU A 41 18.609 8.449 -3.524 1.00 15.42 H new ATOM 0 HB3 GLU A 41 20.145 8.091 -2.758 1.00 15.42 H new ATOM 0 HG2 GLU A 41 21.336 9.542 -4.125 1.00 33.02 H new ATOM 0 HG3 GLU A 41 20.193 9.417 -5.448 1.00 33.02 H new ATOM 600 N ASP A 42 21.653 5.467 -4.288 1.00 50.34 N ATOM 601 CA ASP A 42 23.033 5.011 -4.400 1.00 24.41 C ATOM 602 C ASP A 42 23.528 5.122 -5.839 1.00 3.44 C ATOM 603 O ASP A 42 24.646 5.574 -6.088 1.00 33.23 O ATOM 604 CB ASP A 42 23.155 3.565 -3.916 1.00 63.34 C ATOM 605 CG ASP A 42 23.402 3.472 -2.423 1.00 51.34 C ATOM 606 OD1 ASP A 42 23.116 4.458 -1.712 1.00 53.43 O ATOM 607 OD2 ASP A 42 23.880 2.414 -1.966 1.00 23.40 O ATOM 0 H ASP A 42 21.027 4.808 -3.825 1.00 50.34 H new ATOM 0 HA ASP A 42 23.653 5.651 -3.772 1.00 24.41 H new ATOM 0 HB2 ASP A 42 22.242 3.024 -4.164 1.00 63.34 H new ATOM 0 HB3 ASP A 42 23.971 3.075 -4.447 1.00 63.34 H new ATOM 612 N ALA A 43 22.689 4.707 -6.782 1.00 12.34 N ATOM 613 CA ALA A 43 23.040 4.762 -8.195 1.00 65.31 C ATOM 614 C ALA A 43 23.517 6.156 -8.589 1.00 24.51 C ATOM 615 O ALA A 43 22.795 7.138 -8.424 1.00 72.32 O ATOM 616 CB ALA A 43 21.853 4.347 -9.051 1.00 33.22 C ATOM 0 H ALA A 43 21.761 4.329 -6.593 1.00 12.34 H new ATOM 0 HA ALA A 43 23.859 4.064 -8.367 1.00 65.31 H new ATOM 0 HB1 ALA A 43 22.130 4.393 -10.104 1.00 33.22 H new ATOM 0 HB2 ALA A 43 21.560 3.328 -8.797 1.00 33.22 H new ATOM 0 HB3 ALA A 43 21.017 5.022 -8.866 1.00 33.22 H new ATOM 622 N GLU A 44 24.738 6.233 -9.109 1.00 4.30 N ATOM 623 CA GLU A 44 25.311 7.508 -9.524 1.00 43.24 C ATOM 624 C GLU A 44 24.937 7.828 -10.969 1.00 24.21 C ATOM 625 O GLU A 44 25.125 7.007 -11.866 1.00 50.42 O ATOM 626 CB GLU A 44 26.834 7.482 -9.374 1.00 32.20 C ATOM 627 CG GLU A 44 27.526 8.693 -9.976 1.00 11.24 C ATOM 628 CD GLU A 44 26.922 10.003 -9.507 1.00 73.23 C ATOM 629 OE1 GLU A 44 26.589 10.108 -8.308 1.00 41.34 O ATOM 630 OE2 GLU A 44 26.782 10.922 -10.341 1.00 13.43 O ATOM 0 H GLU A 44 25.349 5.429 -9.253 1.00 4.30 H new ATOM 0 HA GLU A 44 24.903 8.287 -8.880 1.00 43.24 H new ATOM 0 HB2 GLU A 44 27.085 7.420 -8.315 1.00 32.20 H new ATOM 0 HB3 GLU A 44 27.222 6.580 -9.847 1.00 32.20 H new ATOM 0 HG2 GLU A 44 28.584 8.670 -9.713 1.00 11.24 H new ATOM 0 HG3 GLU A 44 27.466 8.638 -11.063 1.00 11.24 H new ATOM 637 N GLY A 45 24.406 9.027 -11.185 1.00 41.52 N ATOM 638 CA GLY A 45 24.013 9.435 -12.521 1.00 62.25 C ATOM 639 C GLY A 45 22.567 9.099 -12.828 1.00 43.13 C ATOM 640 O GLY A 45 21.848 9.904 -13.419 1.00 1.31 O ATOM 0 H GLY A 45 24.241 9.724 -10.458 1.00 41.52 H new ATOM 0 HA2 GLY A 45 24.164 10.509 -12.629 1.00 62.25 H new ATOM 0 HA3 GLY A 45 24.659 8.948 -13.251 1.00 62.25 H new ATOM 644 N ALA A 46 22.141 7.906 -12.428 1.00 34.11 N ATOM 645 CA ALA A 46 20.771 7.466 -12.663 1.00 62.33 C ATOM 646 C ALA A 46 19.801 8.157 -11.711 1.00 50.14 C ATOM 647 O ALA A 46 20.202 8.683 -10.673 1.00 1.14 O ATOM 648 CB ALA A 46 20.670 5.955 -12.517 1.00 61.43 C ATOM 0 H ALA A 46 22.724 7.227 -11.940 1.00 34.11 H new ATOM 0 HA ALA A 46 20.497 7.741 -13.682 1.00 62.33 H new ATOM 0 HB1 ALA A 46 19.642 5.640 -12.695 1.00 61.43 H new ATOM 0 HB2 ALA A 46 21.327 5.475 -13.242 1.00 61.43 H new ATOM 0 HB3 ALA A 46 20.969 5.666 -11.509 1.00 61.43 H new ATOM 654 N THR A 47 18.521 8.154 -12.072 1.00 64.14 N ATOM 655 CA THR A 47 17.494 8.782 -11.252 1.00 2.35 C ATOM 656 C THR A 47 16.489 7.754 -10.746 1.00 53.03 C ATOM 657 O THR A 47 16.115 6.829 -11.468 1.00 42.42 O ATOM 658 CB THR A 47 16.743 9.877 -12.032 1.00 41.33 C ATOM 659 OG1 THR A 47 15.896 10.617 -11.146 1.00 53.03 O ATOM 660 CG2 THR A 47 15.909 9.270 -13.150 1.00 63.52 C ATOM 0 H THR A 47 18.172 7.723 -12.928 1.00 64.14 H new ATOM 0 HA THR A 47 18.003 9.237 -10.402 1.00 2.35 H new ATOM 0 HB THR A 47 17.480 10.548 -12.473 1.00 41.33 H new ATOM 0 HG1 THR A 47 15.424 11.312 -11.650 1.00 53.03 H new ATOM 0 HG21 THR A 47 15.388 10.063 -13.687 1.00 63.52 H new ATOM 0 HG22 THR A 47 16.560 8.733 -13.839 1.00 63.52 H new ATOM 0 HG23 THR A 47 15.180 8.579 -12.726 1.00 63.52 H new ATOM 668 N VAL A 48 16.053 7.921 -9.502 1.00 12.23 N ATOM 669 CA VAL A 48 15.088 7.008 -8.900 1.00 43.03 C ATOM 670 C VAL A 48 13.693 7.621 -8.874 1.00 51.52 C ATOM 671 O VAL A 48 13.469 8.656 -8.244 1.00 31.45 O ATOM 672 CB VAL A 48 15.496 6.626 -7.465 1.00 3.41 C ATOM 673 CG1 VAL A 48 14.522 5.612 -6.885 1.00 4.24 C ATOM 674 CG2 VAL A 48 16.918 6.086 -7.441 1.00 42.34 C ATOM 0 H VAL A 48 16.353 8.680 -8.891 1.00 12.23 H new ATOM 0 HA VAL A 48 15.075 6.110 -9.517 1.00 43.03 H new ATOM 0 HB VAL A 48 15.462 7.522 -6.846 1.00 3.41 H new ATOM 0 HG11 VAL A 48 14.826 5.354 -5.871 1.00 4.24 H new ATOM 0 HG12 VAL A 48 13.520 6.040 -6.865 1.00 4.24 H new ATOM 0 HG13 VAL A 48 14.521 4.714 -7.503 1.00 4.24 H new ATOM 0 HG21 VAL A 48 17.189 5.821 -6.419 1.00 42.34 H new ATOM 0 HG22 VAL A 48 16.982 5.201 -8.074 1.00 42.34 H new ATOM 0 HG23 VAL A 48 17.603 6.848 -7.812 1.00 42.34 H new ATOM 684 N LEU A 49 12.757 6.978 -9.563 1.00 31.22 N ATOM 685 CA LEU A 49 11.381 7.459 -9.619 1.00 10.43 C ATOM 686 C LEU A 49 10.400 6.350 -9.254 1.00 23.40 C ATOM 687 O LEU A 49 10.496 5.231 -9.760 1.00 33.01 O ATOM 688 CB LEU A 49 11.064 7.997 -11.015 1.00 63.35 C ATOM 689 CG LEU A 49 9.977 9.069 -11.091 1.00 43.54 C ATOM 690 CD1 LEU A 49 10.593 10.459 -11.027 1.00 31.42 C ATOM 691 CD2 LEU A 49 9.155 8.907 -12.362 1.00 24.12 C ATOM 0 H LEU A 49 12.926 6.122 -10.091 1.00 31.22 H new ATOM 0 HA LEU A 49 11.275 8.265 -8.893 1.00 10.43 H new ATOM 0 HB2 LEU A 49 11.980 8.406 -11.441 1.00 63.35 H new ATOM 0 HB3 LEU A 49 10.765 7.160 -11.646 1.00 63.35 H new ATOM 0 HG LEU A 49 9.313 8.947 -10.235 1.00 43.54 H new ATOM 0 HD11 LEU A 49 9.804 11.209 -11.082 1.00 31.42 H new ATOM 0 HD12 LEU A 49 11.137 10.573 -10.089 1.00 31.42 H new ATOM 0 HD13 LEU A 49 11.279 10.592 -11.863 1.00 31.42 H new ATOM 0 HD21 LEU A 49 8.386 9.679 -12.399 1.00 24.12 H new ATOM 0 HD22 LEU A 49 9.806 9.002 -13.231 1.00 24.12 H new ATOM 0 HD23 LEU A 49 8.683 7.924 -12.367 1.00 24.12 H new ATOM 703 N CYS A 50 9.456 6.667 -8.374 1.00 62.23 N ATOM 704 CA CYS A 50 8.456 5.698 -7.942 1.00 40.14 C ATOM 705 C CYS A 50 7.046 6.235 -8.169 1.00 34.12 C ATOM 706 O CYS A 50 6.810 7.441 -8.098 1.00 14.42 O ATOM 707 CB CYS A 50 8.652 5.356 -6.464 1.00 61.32 C ATOM 708 SG CYS A 50 7.898 3.776 -5.961 1.00 24.53 S ATOM 0 H CYS A 50 9.363 7.588 -7.946 1.00 62.23 H new ATOM 0 HA CYS A 50 8.582 4.793 -8.537 1.00 40.14 H new ATOM 0 HB2 CYS A 50 9.720 5.322 -6.248 1.00 61.32 H new ATOM 0 HB3 CYS A 50 8.230 6.157 -5.857 1.00 61.32 H new ATOM 713 N CYS A 51 6.111 5.330 -8.441 1.00 40.42 N ATOM 714 CA CYS A 51 4.724 5.711 -8.678 1.00 72.03 C ATOM 715 C CYS A 51 3.876 5.484 -7.430 1.00 24.23 C ATOM 716 O CYS A 51 4.148 4.599 -6.617 1.00 50.53 O ATOM 717 CB CYS A 51 4.148 4.915 -9.851 1.00 31.42 C ATOM 718 SG CYS A 51 5.358 4.538 -11.160 1.00 13.23 S ATOM 0 H CYS A 51 6.289 4.328 -8.503 1.00 40.42 H new ATOM 0 HA CYS A 51 4.702 6.773 -8.922 1.00 72.03 H new ATOM 0 HB2 CYS A 51 3.734 3.980 -9.473 1.00 31.42 H new ATOM 0 HB3 CYS A 51 3.321 5.477 -10.286 1.00 31.42 H new ATOM 723 N PRO A 52 2.824 6.301 -7.272 1.00 62.52 N ATOM 724 CA PRO A 52 1.915 6.208 -6.126 1.00 50.11 C ATOM 725 C PRO A 52 1.056 4.949 -6.168 1.00 12.12 C ATOM 726 O PRO A 52 0.351 4.636 -5.209 1.00 3.03 O ATOM 727 CB PRO A 52 1.041 7.457 -6.265 1.00 72.13 C ATOM 728 CG PRO A 52 1.076 7.784 -7.718 1.00 43.22 C ATOM 729 CD PRO A 52 2.441 7.377 -8.201 1.00 72.22 C ATOM 0 HA PRO A 52 2.455 6.152 -5.181 1.00 50.11 H new ATOM 0 HB2 PRO A 52 0.022 7.267 -5.926 1.00 72.13 H new ATOM 0 HB3 PRO A 52 1.428 8.280 -5.665 1.00 72.13 H new ATOM 0 HG2 PRO A 52 0.295 7.248 -8.258 1.00 43.22 H new ATOM 0 HG3 PRO A 52 0.905 8.848 -7.883 1.00 43.22 H new ATOM 0 HD2 PRO A 52 2.414 7.027 -9.233 1.00 72.22 H new ATOM 0 HD3 PRO A 52 3.145 8.209 -8.165 1.00 72.22 H new ATOM 737 N GLU A 53 1.120 4.231 -7.285 1.00 11.03 N ATOM 738 CA GLU A 53 0.347 3.006 -7.450 1.00 35.11 C ATOM 739 C GLU A 53 1.099 1.807 -6.881 1.00 22.50 C ATOM 740 O GLU A 53 2.195 1.948 -6.338 1.00 11.53 O ATOM 741 CB GLU A 53 0.033 2.770 -8.929 1.00 15.12 C ATOM 742 CG GLU A 53 1.225 2.281 -9.734 1.00 11.32 C ATOM 743 CD GLU A 53 1.027 2.445 -11.228 1.00 75.12 C ATOM 744 OE1 GLU A 53 0.822 3.592 -11.678 1.00 74.50 O ATOM 745 OE2 GLU A 53 1.077 1.425 -11.948 1.00 14.33 O ATOM 0 H GLU A 53 1.699 4.476 -8.088 1.00 11.03 H new ATOM 0 HA GLU A 53 -0.588 3.120 -6.901 1.00 35.11 H new ATOM 0 HB2 GLU A 53 -0.773 2.040 -9.009 1.00 15.12 H new ATOM 0 HB3 GLU A 53 -0.334 3.699 -9.366 1.00 15.12 H new ATOM 0 HG2 GLU A 53 2.116 2.829 -9.427 1.00 11.32 H new ATOM 0 HG3 GLU A 53 1.404 1.230 -9.508 1.00 11.32 H new ATOM 752 N ASP A 54 0.503 0.626 -7.009 1.00 51.44 N ATOM 753 CA ASP A 54 1.116 -0.598 -6.509 1.00 20.50 C ATOM 754 C ASP A 54 1.749 -1.393 -7.647 1.00 20.43 C ATOM 755 O ASP A 54 1.161 -1.539 -8.719 1.00 53.11 O ATOM 756 CB ASP A 54 0.076 -1.457 -5.788 1.00 12.15 C ATOM 757 CG ASP A 54 -1.253 -1.492 -6.517 1.00 44.12 C ATOM 758 OD1 ASP A 54 -1.284 -1.969 -7.671 1.00 21.40 O ATOM 759 OD2 ASP A 54 -2.261 -1.043 -5.934 1.00 52.42 O ATOM 0 H ASP A 54 -0.404 0.491 -7.455 1.00 51.44 H new ATOM 0 HA ASP A 54 1.899 -0.321 -5.804 1.00 20.50 H new ATOM 0 HB2 ASP A 54 0.457 -2.473 -5.685 1.00 12.15 H new ATOM 0 HB3 ASP A 54 -0.076 -1.069 -4.781 1.00 12.15 H new ATOM 764 N LEU A 55 2.951 -1.905 -7.407 1.00 2.03 N ATOM 765 CA LEU A 55 3.666 -2.685 -8.412 1.00 15.24 C ATOM 766 C LEU A 55 3.921 -1.854 -9.665 1.00 72.12 C ATOM 767 O LEU A 55 3.458 -2.195 -10.754 1.00 73.20 O ATOM 768 CB LEU A 55 2.870 -3.941 -8.771 1.00 52.35 C ATOM 769 CG LEU A 55 2.490 -4.852 -7.604 1.00 14.11 C ATOM 770 CD1 LEU A 55 1.611 -5.996 -8.084 1.00 72.41 C ATOM 771 CD2 LEU A 55 3.737 -5.387 -6.917 1.00 24.21 C ATOM 0 H LEU A 55 3.451 -1.794 -6.525 1.00 2.03 H new ATOM 0 HA LEU A 55 4.628 -2.980 -7.993 1.00 15.24 H new ATOM 0 HB2 LEU A 55 1.956 -3.634 -9.279 1.00 52.35 H new ATOM 0 HB3 LEU A 55 3.452 -4.523 -9.486 1.00 52.35 H new ATOM 0 HG LEU A 55 1.924 -4.266 -6.880 1.00 14.11 H new ATOM 0 HD11 LEU A 55 1.351 -6.634 -7.239 1.00 72.41 H new ATOM 0 HD12 LEU A 55 0.701 -5.594 -8.529 1.00 72.41 H new ATOM 0 HD13 LEU A 55 2.150 -6.582 -8.828 1.00 72.41 H new ATOM 0 HD21 LEU A 55 3.447 -6.034 -6.089 1.00 24.21 H new ATOM 0 HD22 LEU A 55 4.330 -5.957 -7.632 1.00 24.21 H new ATOM 0 HD23 LEU A 55 4.329 -4.554 -6.537 1.00 24.21 H new ATOM 783 N CYS A 56 4.662 -0.763 -9.505 1.00 23.21 N ATOM 784 CA CYS A 56 4.982 0.116 -10.623 1.00 53.11 C ATOM 785 C CYS A 56 6.390 -0.156 -11.144 1.00 71.11 C ATOM 786 O CYS A 56 6.724 0.199 -12.273 1.00 43.43 O ATOM 787 CB CYS A 56 4.857 1.581 -10.199 1.00 61.20 C ATOM 788 SG CYS A 56 5.198 2.773 -11.534 1.00 21.23 S ATOM 0 H CYS A 56 5.053 -0.466 -8.611 1.00 23.21 H new ATOM 0 HA CYS A 56 4.272 -0.085 -11.425 1.00 53.11 H new ATOM 0 HB2 CYS A 56 3.850 1.754 -9.821 1.00 61.20 H new ATOM 0 HB3 CYS A 56 5.544 1.769 -9.374 1.00 61.20 H new ATOM 793 N ASN A 57 7.210 -0.789 -10.312 1.00 65.42 N ATOM 794 CA ASN A 57 8.583 -1.109 -10.688 1.00 72.32 C ATOM 795 C ASN A 57 8.703 -2.568 -11.120 1.00 14.30 C ATOM 796 O ASN A 57 7.717 -3.192 -11.511 1.00 71.05 O ATOM 797 CB ASN A 57 9.532 -0.832 -9.520 1.00 55.14 C ATOM 798 CG ASN A 57 9.406 -1.864 -8.416 1.00 11.51 C ATOM 799 OD1 ASN A 57 8.323 -2.075 -7.869 1.00 64.10 O ATOM 800 ND2 ASN A 57 10.516 -2.511 -8.082 1.00 62.25 N ATOM 0 H ASN A 57 6.948 -1.091 -9.373 1.00 65.42 H new ATOM 0 HA ASN A 57 8.859 -0.475 -11.530 1.00 72.32 H new ATOM 0 HB2 ASN A 57 10.559 -0.818 -9.885 1.00 55.14 H new ATOM 0 HB3 ASN A 57 9.325 0.158 -9.114 1.00 55.14 H new ATOM 0 HD21 ASN A 57 10.493 -3.216 -7.345 1.00 62.25 H new ATOM 0 HD22 ASN A 57 11.391 -2.303 -8.563 1.00 62.25 H new TER 807 ASN A 57