USER MOD reduce.3.24.130724 H: found=0, std=0, add=397, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 396 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 33 ASN : amide:sc= -7.12! C(o=-7.2!,f=-9.9!) USER MOD Set 1.2: A 36 ASN : amide:sc= -0.035 X(o=-7.2,f=-7.6) USER MOD Set 2.1: A 26 SER OG : rot -81:sc= 0.475! USER MOD Set 2.2: A 49 THR OG1 : rot 180:sc= -0.128 USER MOD Single : A 1 LEU N :NH3+ -148:sc= -0.218 (180deg=-0.946) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 11 TYR OH : rot 150:sc= -1.97 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0.0287 USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 ASN : amide:sc= -2.47! C(o=-2.5!,f=-7!) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 THR OG1 : rot -21:sc= 1.52 USER MOD Single : A 31 TYR OH : rot 180:sc= -0.661 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 ASN : amide:sc= -4.79! C(o=-4.8!,f=-11!) USER MOD Single : A 44 SER OG : rot -78:sc= 0.543 USER MOD Single : A 45 ASN : amide:sc= -7.83! C(o=-7.8!,f=-8.5!) USER MOD Single : A 47 THR OG1 : rot -32:sc= 0.314 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 52 HIS : no HE2:sc= -8.83! C(o=-8.8!,f=-10!) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 12.155 15.882 3.216 1.00 0.00 N ATOM 2 CA LEU A 1 10.781 15.446 3.599 1.00 0.00 C ATOM 3 C LEU A 1 9.767 16.044 2.622 1.00 0.00 C ATOM 4 O LEU A 1 9.170 17.069 2.884 1.00 0.00 O ATOM 5 CB LEU A 1 10.472 15.928 5.018 1.00 0.00 C ATOM 6 CG LEU A 1 11.378 15.199 6.011 1.00 0.00 C ATOM 7 CD1 LEU A 1 11.621 16.090 7.230 1.00 0.00 C ATOM 8 CD2 LEU A 1 10.701 13.901 6.458 1.00 0.00 C ATOM 0 H1 LEU A 1 12.837 15.135 3.460 1.00 0.00 H new ATOM 0 H2 LEU A 1 12.190 16.061 2.192 1.00 0.00 H new ATOM 0 H3 LEU A 1 12.398 16.754 3.729 1.00 0.00 H new ATOM 0 HA LEU A 1 10.720 14.358 3.564 1.00 0.00 H new ATOM 0 HB2 LEU A 1 10.627 17.005 5.090 1.00 0.00 H new ATOM 0 HB3 LEU A 1 9.425 15.740 5.258 1.00 0.00 H new ATOM 0 HG LEU A 1 12.330 14.969 5.533 1.00 0.00 H new ATOM 0 HD11 LEU A 1 12.267 15.570 7.938 1.00 0.00 H new ATOM 0 HD12 LEU A 1 12.101 17.016 6.914 1.00 0.00 H new ATOM 0 HD13 LEU A 1 10.669 16.319 7.709 1.00 0.00 H new ATOM 0 HD21 LEU A 1 11.345 13.380 7.166 1.00 0.00 H new ATOM 0 HD22 LEU A 1 9.749 14.133 6.936 1.00 0.00 H new ATOM 0 HD23 LEU A 1 10.526 13.265 5.591 1.00 0.00 H new ATOM 22 N ALA A 2 9.567 15.410 1.500 1.00 0.00 N ATOM 23 CA ALA A 2 8.590 15.942 0.509 1.00 0.00 C ATOM 24 C ALA A 2 7.492 14.904 0.267 1.00 0.00 C ATOM 25 O ALA A 2 7.624 14.029 -0.566 1.00 0.00 O ATOM 26 CB ALA A 2 9.311 16.243 -0.808 1.00 0.00 C ATOM 0 H ALA A 2 10.037 14.547 1.227 1.00 0.00 H new ATOM 0 HA ALA A 2 8.143 16.858 0.895 1.00 0.00 H new ATOM 0 HB1 ALA A 2 8.596 16.632 -1.533 1.00 0.00 H new ATOM 0 HB2 ALA A 2 10.092 16.984 -0.634 1.00 0.00 H new ATOM 0 HB3 ALA A 2 9.759 15.328 -1.195 1.00 0.00 H new ATOM 32 N ALA A 3 6.409 14.995 0.988 1.00 0.00 N ATOM 33 CA ALA A 3 5.301 14.016 0.800 1.00 0.00 C ATOM 34 C ALA A 3 5.824 12.596 1.029 1.00 0.00 C ATOM 35 O ALA A 3 7.014 12.349 1.000 1.00 0.00 O ATOM 36 CB ALA A 3 4.751 14.135 -0.623 1.00 0.00 C ATOM 0 H ALA A 3 6.243 15.706 1.700 1.00 0.00 H new ATOM 0 HA ALA A 3 4.507 14.227 1.516 1.00 0.00 H new ATOM 0 HB1 ALA A 3 3.941 13.419 -0.761 1.00 0.00 H new ATOM 0 HB2 ALA A 3 4.374 15.145 -0.784 1.00 0.00 H new ATOM 0 HB3 ALA A 3 5.546 13.926 -1.339 1.00 0.00 H new ATOM 42 N VAL A 4 4.942 11.660 1.255 1.00 0.00 N ATOM 43 CA VAL A 4 5.382 10.254 1.483 1.00 0.00 C ATOM 44 C VAL A 4 4.348 9.298 0.885 1.00 0.00 C ATOM 45 O VAL A 4 3.262 9.142 1.404 1.00 0.00 O ATOM 46 CB VAL A 4 5.501 9.996 2.987 1.00 0.00 C ATOM 47 CG1 VAL A 4 6.357 8.751 3.229 1.00 0.00 C ATOM 48 CG2 VAL A 4 6.157 11.202 3.660 1.00 0.00 C ATOM 0 H VAL A 4 3.934 11.809 1.292 1.00 0.00 H new ATOM 0 HA VAL A 4 6.349 10.092 1.008 1.00 0.00 H new ATOM 0 HB VAL A 4 4.507 9.839 3.406 1.00 0.00 H new ATOM 0 HG11 VAL A 4 6.440 8.569 4.301 1.00 0.00 H new ATOM 0 HG12 VAL A 4 5.891 7.890 2.750 1.00 0.00 H new ATOM 0 HG13 VAL A 4 7.351 8.905 2.809 1.00 0.00 H new ATOM 0 HG21 VAL A 4 6.242 11.019 4.731 1.00 0.00 H new ATOM 0 HG22 VAL A 4 7.150 11.358 3.238 1.00 0.00 H new ATOM 0 HG23 VAL A 4 5.547 12.089 3.491 1.00 0.00 H new ATOM 58 N SER A 5 4.675 8.656 -0.206 1.00 0.00 N ATOM 59 CA SER A 5 3.704 7.714 -0.832 1.00 0.00 C ATOM 60 C SER A 5 4.399 6.384 -1.133 1.00 0.00 C ATOM 61 O SER A 5 5.367 6.021 -0.497 1.00 0.00 O ATOM 62 CB SER A 5 3.174 8.318 -2.134 1.00 0.00 C ATOM 63 OG SER A 5 2.948 9.709 -1.948 1.00 0.00 O ATOM 0 H SER A 5 5.569 8.743 -0.688 1.00 0.00 H new ATOM 0 HA SER A 5 2.875 7.542 -0.146 1.00 0.00 H new ATOM 0 HB2 SER A 5 3.890 8.159 -2.940 1.00 0.00 H new ATOM 0 HB3 SER A 5 2.248 7.823 -2.428 1.00 0.00 H new ATOM 0 HG SER A 5 2.610 10.100 -2.781 1.00 0.00 H new ATOM 69 N VAL A 6 3.909 5.652 -2.098 1.00 0.00 N ATOM 70 CA VAL A 6 4.539 4.344 -2.436 1.00 0.00 C ATOM 71 C VAL A 6 4.507 4.136 -3.952 1.00 0.00 C ATOM 72 O VAL A 6 3.813 4.824 -4.672 1.00 0.00 O ATOM 73 CB VAL A 6 3.767 3.213 -1.747 1.00 0.00 C ATOM 74 CG1 VAL A 6 2.264 3.433 -1.932 1.00 0.00 C ATOM 75 CG2 VAL A 6 4.163 1.867 -2.360 1.00 0.00 C ATOM 0 H VAL A 6 3.100 5.904 -2.666 1.00 0.00 H new ATOM 0 HA VAL A 6 5.574 4.340 -2.093 1.00 0.00 H new ATOM 0 HB VAL A 6 4.008 3.210 -0.684 1.00 0.00 H new ATOM 0 HG11 VAL A 6 1.715 2.629 -1.442 1.00 0.00 H new ATOM 0 HG12 VAL A 6 1.979 4.388 -1.491 1.00 0.00 H new ATOM 0 HG13 VAL A 6 2.025 3.439 -2.996 1.00 0.00 H new ATOM 0 HG21 VAL A 6 3.612 1.066 -1.867 1.00 0.00 H new ATOM 0 HG22 VAL A 6 3.927 1.868 -3.424 1.00 0.00 H new ATOM 0 HG23 VAL A 6 5.233 1.707 -2.226 1.00 0.00 H new ATOM 85 N ASP A 7 5.254 3.183 -4.436 1.00 0.00 N ATOM 86 CA ASP A 7 5.275 2.918 -5.903 1.00 0.00 C ATOM 87 C ASP A 7 4.199 1.884 -6.245 1.00 0.00 C ATOM 88 O ASP A 7 3.725 1.163 -5.390 1.00 0.00 O ATOM 89 CB ASP A 7 6.649 2.373 -6.300 1.00 0.00 C ATOM 90 CG ASP A 7 6.606 1.886 -7.748 1.00 0.00 C ATOM 91 OD1 ASP A 7 6.247 2.676 -8.606 1.00 0.00 O ATOM 92 OD2 ASP A 7 6.932 0.734 -7.975 1.00 0.00 O ATOM 0 H ASP A 7 5.853 2.574 -3.878 1.00 0.00 H new ATOM 0 HA ASP A 7 5.079 3.843 -6.446 1.00 0.00 H new ATOM 0 HB2 ASP A 7 7.406 3.149 -6.189 1.00 0.00 H new ATOM 0 HB3 ASP A 7 6.932 1.555 -5.638 1.00 0.00 H new ATOM 97 N CYS A 8 3.808 1.804 -7.489 1.00 0.00 N ATOM 98 CA CYS A 8 2.764 0.813 -7.875 1.00 0.00 C ATOM 99 C CYS A 8 3.071 0.246 -9.262 1.00 0.00 C ATOM 100 O CYS A 8 2.198 0.109 -10.094 1.00 0.00 O ATOM 101 CB CYS A 8 1.396 1.496 -7.896 1.00 0.00 C ATOM 102 SG CYS A 8 0.684 1.447 -6.239 1.00 0.00 S ATOM 0 H CYS A 8 4.165 2.380 -8.251 1.00 0.00 H new ATOM 0 HA CYS A 8 2.757 -0.000 -7.149 1.00 0.00 H new ATOM 0 HB2 CYS A 8 1.497 2.528 -8.231 1.00 0.00 H new ATOM 0 HB3 CYS A 8 0.736 0.994 -8.603 1.00 0.00 H new ATOM 107 N SER A 9 4.307 -0.091 -9.514 1.00 0.00 N ATOM 108 CA SER A 9 4.664 -0.654 -10.845 1.00 0.00 C ATOM 109 C SER A 9 4.548 -2.179 -10.808 1.00 0.00 C ATOM 110 O SER A 9 5.013 -2.867 -11.695 1.00 0.00 O ATOM 111 CB SER A 9 6.099 -0.260 -11.200 1.00 0.00 C ATOM 112 OG SER A 9 6.084 0.597 -12.334 1.00 0.00 O ATOM 0 H SER A 9 5.082 -0.001 -8.857 1.00 0.00 H new ATOM 0 HA SER A 9 3.982 -0.258 -11.597 1.00 0.00 H new ATOM 0 HB2 SER A 9 6.570 0.244 -10.356 1.00 0.00 H new ATOM 0 HB3 SER A 9 6.691 -1.150 -11.411 1.00 0.00 H new ATOM 0 HG SER A 9 7.002 0.853 -12.563 1.00 0.00 H new ATOM 118 N GLU A 10 3.932 -2.713 -9.789 1.00 0.00 N ATOM 119 CA GLU A 10 3.791 -4.196 -9.698 1.00 0.00 C ATOM 120 C GLU A 10 2.495 -4.562 -8.966 1.00 0.00 C ATOM 121 O GLU A 10 2.496 -5.379 -8.068 1.00 0.00 O ATOM 122 CB GLU A 10 4.978 -4.776 -8.923 1.00 0.00 C ATOM 123 CG GLU A 10 6.282 -4.165 -9.437 1.00 0.00 C ATOM 124 CD GLU A 10 6.490 -2.789 -8.802 1.00 0.00 C ATOM 125 OE1 GLU A 10 6.090 -2.618 -7.662 1.00 0.00 O ATOM 126 OE2 GLU A 10 7.046 -1.930 -9.466 1.00 0.00 O ATOM 0 H GLU A 10 3.521 -2.189 -9.017 1.00 0.00 H new ATOM 0 HA GLU A 10 3.765 -4.607 -10.707 1.00 0.00 H new ATOM 0 HB2 GLU A 10 4.864 -4.570 -7.859 1.00 0.00 H new ATOM 0 HB3 GLU A 10 5.004 -5.860 -9.037 1.00 0.00 H new ATOM 0 HG2 GLU A 10 7.121 -4.818 -9.196 1.00 0.00 H new ATOM 0 HG3 GLU A 10 6.250 -4.074 -10.523 1.00 0.00 H new ATOM 133 N TYR A 11 1.390 -3.970 -9.333 1.00 0.00 N ATOM 134 CA TYR A 11 0.120 -4.293 -8.655 1.00 0.00 C ATOM 135 C TYR A 11 -1.044 -4.050 -9.634 1.00 0.00 C ATOM 136 O TYR A 11 -0.913 -3.289 -10.571 1.00 0.00 O ATOM 137 CB TYR A 11 -0.001 -3.415 -7.409 1.00 0.00 C ATOM 138 CG TYR A 11 1.312 -3.480 -6.661 1.00 0.00 C ATOM 139 CD1 TYR A 11 1.559 -4.522 -5.759 1.00 0.00 C ATOM 140 CD2 TYR A 11 2.292 -2.507 -6.887 1.00 0.00 C ATOM 141 CE1 TYR A 11 2.787 -4.588 -5.087 1.00 0.00 C ATOM 142 CE2 TYR A 11 3.515 -2.571 -6.212 1.00 0.00 C ATOM 143 CZ TYR A 11 3.763 -3.612 -5.313 1.00 0.00 C ATOM 144 OH TYR A 11 4.972 -3.678 -4.650 1.00 0.00 O ATOM 0 H TYR A 11 1.321 -3.275 -10.077 1.00 0.00 H new ATOM 0 HA TYR A 11 0.092 -5.338 -8.347 1.00 0.00 H new ATOM 0 HB2 TYR A 11 -0.230 -2.387 -7.688 1.00 0.00 H new ATOM 0 HB3 TYR A 11 -0.818 -3.762 -6.776 1.00 0.00 H new ATOM 0 HD1 TYR A 11 0.804 -5.274 -5.581 1.00 0.00 H new ATOM 0 HD2 TYR A 11 2.103 -1.704 -7.585 1.00 0.00 H new ATOM 0 HE1 TYR A 11 2.980 -5.393 -4.394 1.00 0.00 H new ATOM 0 HE2 TYR A 11 4.268 -1.816 -6.385 1.00 0.00 H new ATOM 0 HH TYR A 11 5.673 -3.282 -5.208 1.00 0.00 H new ATOM 154 N PRO A 12 -2.127 -4.748 -9.404 1.00 0.00 N ATOM 155 CA PRO A 12 -2.248 -5.662 -8.259 1.00 0.00 C ATOM 156 C PRO A 12 -1.448 -6.952 -8.488 1.00 0.00 C ATOM 157 O PRO A 12 -1.015 -7.244 -9.585 1.00 0.00 O ATOM 158 CB PRO A 12 -3.747 -5.963 -8.191 1.00 0.00 C ATOM 159 CG PRO A 12 -4.305 -5.691 -9.610 1.00 0.00 C ATOM 160 CD PRO A 12 -3.316 -4.720 -10.283 1.00 0.00 C ATOM 0 HA PRO A 12 -1.856 -5.229 -7.338 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -3.924 -6.997 -7.894 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -4.238 -5.331 -7.451 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -4.389 -6.617 -10.179 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -5.303 -5.256 -9.559 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -3.070 -5.040 -11.296 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -3.732 -3.716 -10.358 1.00 0.00 H new ATOM 168 N LYS A 13 -1.244 -7.717 -7.447 1.00 0.00 N ATOM 169 CA LYS A 13 -0.466 -8.982 -7.579 1.00 0.00 C ATOM 170 C LYS A 13 -1.288 -10.153 -7.024 1.00 0.00 C ATOM 171 O LYS A 13 -1.999 -10.000 -6.052 1.00 0.00 O ATOM 172 CB LYS A 13 0.828 -8.852 -6.769 1.00 0.00 C ATOM 173 CG LYS A 13 2.035 -8.972 -7.699 1.00 0.00 C ATOM 174 CD LYS A 13 3.224 -9.538 -6.918 1.00 0.00 C ATOM 175 CE LYS A 13 4.523 -9.230 -7.664 1.00 0.00 C ATOM 176 NZ LYS A 13 5.682 -9.701 -6.853 1.00 0.00 N ATOM 0 H LYS A 13 -1.585 -7.518 -6.507 1.00 0.00 H new ATOM 0 HA LYS A 13 -0.238 -9.165 -8.629 1.00 0.00 H new ATOM 0 HB2 LYS A 13 0.850 -7.893 -6.252 1.00 0.00 H new ATOM 0 HB3 LYS A 13 0.868 -9.627 -6.004 1.00 0.00 H new ATOM 0 HG2 LYS A 13 1.796 -9.622 -8.541 1.00 0.00 H new ATOM 0 HG3 LYS A 13 2.288 -7.996 -8.112 1.00 0.00 H new ATOM 0 HD2 LYS A 13 3.255 -9.104 -5.919 1.00 0.00 H new ATOM 0 HD3 LYS A 13 3.111 -10.615 -6.794 1.00 0.00 H new ATOM 0 HE2 LYS A 13 4.522 -9.721 -8.637 1.00 0.00 H new ATOM 0 HE3 LYS A 13 4.605 -8.159 -7.848 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 6.567 -9.493 -7.358 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 5.684 -9.213 -5.935 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 5.604 -10.727 -6.699 1.00 0.00 H new ATOM 190 N PRO A 14 -1.157 -11.296 -7.656 1.00 0.00 N ATOM 191 CA PRO A 14 -1.874 -12.522 -7.244 1.00 0.00 C ATOM 192 C PRO A 14 -1.166 -13.188 -6.059 1.00 0.00 C ATOM 193 O PRO A 14 -1.408 -14.332 -5.734 1.00 0.00 O ATOM 194 CB PRO A 14 -1.801 -13.409 -8.488 1.00 0.00 C ATOM 195 CG PRO A 14 -0.593 -12.905 -9.314 1.00 0.00 C ATOM 196 CD PRO A 14 -0.304 -11.467 -8.852 1.00 0.00 C ATOM 0 HA PRO A 14 -2.896 -12.331 -6.916 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -1.673 -14.456 -8.212 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -2.722 -13.343 -9.067 1.00 0.00 H new ATOM 0 HG2 PRO A 14 0.276 -13.543 -9.156 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -0.817 -12.930 -10.380 1.00 0.00 H new ATOM 0 HD2 PRO A 14 0.750 -11.329 -8.613 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -0.553 -10.742 -9.627 1.00 0.00 H new ATOM 204 N ALA A 15 -0.290 -12.470 -5.421 1.00 0.00 N ATOM 205 CA ALA A 15 0.455 -13.026 -4.256 1.00 0.00 C ATOM 206 C ALA A 15 1.450 -11.968 -3.783 1.00 0.00 C ATOM 207 O ALA A 15 2.108 -11.331 -4.582 1.00 0.00 O ATOM 208 CB ALA A 15 1.207 -14.288 -4.685 1.00 0.00 C ATOM 0 H ALA A 15 -0.053 -11.507 -5.659 1.00 0.00 H new ATOM 0 HA ALA A 15 -0.233 -13.284 -3.451 1.00 0.00 H new ATOM 0 HB1 ALA A 15 1.752 -14.694 -3.833 1.00 0.00 H new ATOM 0 HB2 ALA A 15 0.496 -15.030 -5.048 1.00 0.00 H new ATOM 0 HB3 ALA A 15 1.910 -14.040 -5.480 1.00 0.00 H new ATOM 214 N CYS A 16 1.561 -11.749 -2.502 1.00 0.00 N ATOM 215 CA CYS A 16 2.509 -10.702 -2.032 1.00 0.00 C ATOM 216 C CYS A 16 3.233 -11.132 -0.761 1.00 0.00 C ATOM 217 O CYS A 16 2.631 -11.313 0.279 1.00 0.00 O ATOM 218 CB CYS A 16 1.741 -9.416 -1.721 1.00 0.00 C ATOM 219 SG CYS A 16 0.742 -8.936 -3.148 1.00 0.00 S ATOM 0 H CYS A 16 1.046 -12.240 -1.772 1.00 0.00 H new ATOM 0 HA CYS A 16 3.239 -10.543 -2.825 1.00 0.00 H new ATOM 0 HB2 CYS A 16 1.101 -9.566 -0.852 1.00 0.00 H new ATOM 0 HB3 CYS A 16 2.439 -8.617 -1.469 1.00 0.00 H new ATOM 224 N THR A 17 4.531 -11.219 -0.815 1.00 0.00 N ATOM 225 CA THR A 17 5.291 -11.548 0.415 1.00 0.00 C ATOM 226 C THR A 17 5.473 -10.231 1.141 1.00 0.00 C ATOM 227 O THR A 17 4.520 -9.640 1.608 1.00 0.00 O ATOM 228 CB THR A 17 6.653 -12.162 0.080 1.00 0.00 C ATOM 229 OG1 THR A 17 7.200 -11.508 -1.058 1.00 0.00 O ATOM 230 CG2 THR A 17 6.486 -13.654 -0.212 1.00 0.00 C ATOM 0 H THR A 17 5.094 -11.077 -1.654 1.00 0.00 H new ATOM 0 HA THR A 17 4.762 -12.283 1.021 1.00 0.00 H new ATOM 0 HB THR A 17 7.327 -12.036 0.928 1.00 0.00 H new ATOM 0 HG1 THR A 17 8.073 -11.899 -1.272 1.00 0.00 H new ATOM 0 HG21 THR A 17 7.457 -14.089 -0.450 1.00 0.00 H new ATOM 0 HG22 THR A 17 6.070 -14.152 0.664 1.00 0.00 H new ATOM 0 HG23 THR A 17 5.812 -13.786 -1.058 1.00 0.00 H new ATOM 238 N LEU A 18 6.663 -9.740 1.223 1.00 0.00 N ATOM 239 CA LEU A 18 6.849 -8.458 1.891 1.00 0.00 C ATOM 240 C LEU A 18 6.334 -8.591 3.303 1.00 0.00 C ATOM 241 O LEU A 18 5.153 -8.529 3.560 1.00 0.00 O ATOM 242 CB LEU A 18 6.098 -7.377 1.119 1.00 0.00 C ATOM 243 CG LEU A 18 6.983 -6.887 -0.030 1.00 0.00 C ATOM 244 CD1 LEU A 18 6.106 -6.421 -1.193 1.00 0.00 C ATOM 245 CD2 LEU A 18 7.852 -5.726 0.459 1.00 0.00 C ATOM 0 H LEU A 18 7.509 -10.175 0.855 1.00 0.00 H new ATOM 0 HA LEU A 18 7.901 -8.174 1.922 1.00 0.00 H new ATOM 0 HB2 LEU A 18 5.160 -7.773 0.730 1.00 0.00 H new ATOM 0 HB3 LEU A 18 5.844 -6.548 1.780 1.00 0.00 H new ATOM 0 HG LEU A 18 7.623 -7.702 -0.369 1.00 0.00 H new ATOM 0 HD11 LEU A 18 6.739 -6.073 -2.009 1.00 0.00 H new ATOM 0 HD12 LEU A 18 5.490 -7.251 -1.540 1.00 0.00 H new ATOM 0 HD13 LEU A 18 5.463 -5.607 -0.860 1.00 0.00 H new ATOM 0 HD21 LEU A 18 8.483 -5.375 -0.357 1.00 0.00 H new ATOM 0 HD22 LEU A 18 7.213 -4.911 0.799 1.00 0.00 H new ATOM 0 HD23 LEU A 18 8.480 -6.064 1.284 1.00 0.00 H new ATOM 257 N GLU A 19 7.240 -8.837 4.192 1.00 0.00 N ATOM 258 CA GLU A 19 6.894 -9.024 5.638 1.00 0.00 C ATOM 259 C GLU A 19 5.798 -8.034 6.066 1.00 0.00 C ATOM 260 O GLU A 19 5.235 -7.314 5.272 1.00 0.00 O ATOM 261 CB GLU A 19 8.135 -8.783 6.498 1.00 0.00 C ATOM 262 CG GLU A 19 9.326 -9.543 5.915 1.00 0.00 C ATOM 263 CD GLU A 19 8.909 -10.979 5.595 1.00 0.00 C ATOM 264 OE1 GLU A 19 8.898 -11.790 6.507 1.00 0.00 O ATOM 265 OE2 GLU A 19 8.607 -11.246 4.444 1.00 0.00 O ATOM 0 H GLU A 19 8.235 -8.921 3.983 1.00 0.00 H new ATOM 0 HA GLU A 19 6.531 -10.043 5.775 1.00 0.00 H new ATOM 0 HB2 GLU A 19 8.358 -7.717 6.540 1.00 0.00 H new ATOM 0 HB3 GLU A 19 7.949 -9.110 7.521 1.00 0.00 H new ATOM 0 HG2 GLU A 19 9.681 -9.046 5.012 1.00 0.00 H new ATOM 0 HG3 GLU A 19 10.153 -9.543 6.625 1.00 0.00 H new ATOM 272 N TYR A 20 5.479 -7.993 7.327 1.00 0.00 N ATOM 273 CA TYR A 20 4.395 -7.072 7.765 1.00 0.00 C ATOM 274 C TYR A 20 4.883 -5.623 7.844 1.00 0.00 C ATOM 275 O TYR A 20 5.590 -5.223 8.748 1.00 0.00 O ATOM 276 CB TYR A 20 3.852 -7.509 9.125 1.00 0.00 C ATOM 277 CG TYR A 20 2.449 -6.969 9.292 1.00 0.00 C ATOM 278 CD1 TYR A 20 1.528 -7.064 8.238 1.00 0.00 C ATOM 279 CD2 TYR A 20 2.070 -6.368 10.498 1.00 0.00 C ATOM 280 CE1 TYR A 20 0.233 -6.556 8.391 1.00 0.00 C ATOM 281 CE2 TYR A 20 0.773 -5.860 10.650 1.00 0.00 C ATOM 282 CZ TYR A 20 -0.145 -5.954 9.596 1.00 0.00 C ATOM 283 OH TYR A 20 -1.422 -5.453 9.747 1.00 0.00 O ATOM 0 H TYR A 20 5.914 -8.548 8.064 1.00 0.00 H new ATOM 0 HA TYR A 20 3.600 -7.120 7.021 1.00 0.00 H new ATOM 0 HB2 TYR A 20 3.848 -8.597 9.197 1.00 0.00 H new ATOM 0 HB3 TYR A 20 4.495 -7.139 9.924 1.00 0.00 H new ATOM 0 HD1 TYR A 20 1.819 -7.530 7.308 1.00 0.00 H new ATOM 0 HD2 TYR A 20 2.777 -6.296 11.311 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -0.475 -6.629 7.579 1.00 0.00 H new ATOM 0 HE2 TYR A 20 0.481 -5.396 11.580 1.00 0.00 H new ATOM 0 HH TYR A 20 -1.519 -5.070 10.644 1.00 0.00 H new ATOM 293 N ARG A 21 4.457 -4.837 6.894 1.00 0.00 N ATOM 294 CA ARG A 21 4.803 -3.390 6.842 1.00 0.00 C ATOM 295 C ARG A 21 3.546 -2.676 6.340 1.00 0.00 C ATOM 296 O ARG A 21 3.467 -2.307 5.187 1.00 0.00 O ATOM 297 CB ARG A 21 5.960 -3.166 5.864 1.00 0.00 C ATOM 298 CG ARG A 21 7.178 -3.973 6.319 1.00 0.00 C ATOM 299 CD ARG A 21 8.064 -3.098 7.204 1.00 0.00 C ATOM 300 NE ARG A 21 7.321 -2.731 8.443 1.00 0.00 N ATOM 301 CZ ARG A 21 7.551 -1.588 9.027 1.00 0.00 C ATOM 302 NH1 ARG A 21 8.762 -1.102 9.056 1.00 0.00 N ATOM 303 NH2 ARG A 21 6.572 -0.931 9.586 1.00 0.00 N ATOM 0 H ARG A 21 3.863 -5.151 6.126 1.00 0.00 H new ATOM 0 HA ARG A 21 5.115 -3.014 7.816 1.00 0.00 H new ATOM 0 HB2 ARG A 21 5.665 -3.469 4.859 1.00 0.00 H new ATOM 0 HB3 ARG A 21 6.210 -2.106 5.817 1.00 0.00 H new ATOM 0 HG2 ARG A 21 6.857 -4.858 6.868 1.00 0.00 H new ATOM 0 HG3 ARG A 21 7.741 -4.322 5.453 1.00 0.00 H new ATOM 0 HD2 ARG A 21 8.979 -3.631 7.461 1.00 0.00 H new ATOM 0 HD3 ARG A 21 8.360 -2.198 6.664 1.00 0.00 H new ATOM 0 HE ARG A 21 6.633 -3.374 8.834 1.00 0.00 H new ATOM 0 HH11 ARG A 21 9.528 -1.616 8.622 1.00 0.00 H new ATOM 0 HH12 ARG A 21 8.942 -0.208 9.513 1.00 0.00 H new ATOM 0 HH21 ARG A 21 5.626 -1.311 9.566 1.00 0.00 H new ATOM 0 HH22 ARG A 21 6.753 -0.037 10.043 1.00 0.00 H new ATOM 317 N PRO A 22 2.581 -2.565 7.226 1.00 0.00 N ATOM 318 CA PRO A 22 1.247 -1.989 6.924 1.00 0.00 C ATOM 319 C PRO A 22 1.272 -0.513 6.560 1.00 0.00 C ATOM 320 O PRO A 22 1.904 0.291 7.211 1.00 0.00 O ATOM 321 CB PRO A 22 0.457 -2.207 8.224 1.00 0.00 C ATOM 322 CG PRO A 22 1.500 -2.419 9.337 1.00 0.00 C ATOM 323 CD PRO A 22 2.755 -2.966 8.640 1.00 0.00 C ATOM 0 HA PRO A 22 0.812 -2.467 6.046 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -0.175 -1.346 8.443 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -0.201 -3.072 8.138 1.00 0.00 H new ATOM 0 HG2 PRO A 22 1.716 -1.483 9.853 1.00 0.00 H new ATOM 0 HG3 PRO A 22 1.133 -3.119 10.087 1.00 0.00 H new ATOM 0 HD2 PRO A 22 3.665 -2.543 9.066 1.00 0.00 H new ATOM 0 HD3 PRO A 22 2.829 -4.049 8.742 1.00 0.00 H new ATOM 331 N LEU A 23 0.542 -0.153 5.531 1.00 0.00 N ATOM 332 CA LEU A 23 0.463 1.271 5.133 1.00 0.00 C ATOM 333 C LEU A 23 -0.989 1.719 5.298 1.00 0.00 C ATOM 334 O LEU A 23 -1.872 1.256 4.601 1.00 0.00 O ATOM 335 CB LEU A 23 0.895 1.414 3.680 1.00 0.00 C ATOM 336 CG LEU A 23 2.119 0.536 3.450 1.00 0.00 C ATOM 337 CD1 LEU A 23 2.570 0.662 2.003 1.00 0.00 C ATOM 338 CD2 LEU A 23 3.249 0.985 4.376 1.00 0.00 C ATOM 0 H LEU A 23 -0.002 -0.794 4.953 1.00 0.00 H new ATOM 0 HA LEU A 23 1.118 1.885 5.750 1.00 0.00 H new ATOM 0 HB2 LEU A 23 0.085 1.117 3.013 1.00 0.00 H new ATOM 0 HB3 LEU A 23 1.128 2.455 3.455 1.00 0.00 H new ATOM 0 HG LEU A 23 1.865 -0.503 3.662 1.00 0.00 H new ATOM 0 HD11 LEU A 23 3.446 0.034 1.839 1.00 0.00 H new ATOM 0 HD12 LEU A 23 1.765 0.342 1.342 1.00 0.00 H new ATOM 0 HD13 LEU A 23 2.823 1.701 1.790 1.00 0.00 H new ATOM 0 HD21 LEU A 23 4.125 0.357 4.212 1.00 0.00 H new ATOM 0 HD22 LEU A 23 3.502 2.024 4.164 1.00 0.00 H new ATOM 0 HD23 LEU A 23 2.927 0.895 5.413 1.00 0.00 H new ATOM 350 N CYS A 24 -1.255 2.597 6.225 1.00 0.00 N ATOM 351 CA CYS A 24 -2.659 3.046 6.428 1.00 0.00 C ATOM 352 C CYS A 24 -2.997 4.076 5.365 1.00 0.00 C ATOM 353 O CYS A 24 -2.361 5.105 5.252 1.00 0.00 O ATOM 354 CB CYS A 24 -2.810 3.643 7.826 1.00 0.00 C ATOM 355 SG CYS A 24 -3.182 2.323 8.973 1.00 0.00 S ATOM 0 H CYS A 24 -0.566 3.020 6.846 1.00 0.00 H new ATOM 0 HA CYS A 24 -3.343 2.202 6.342 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -1.893 4.153 8.121 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -3.606 4.388 7.835 1.00 0.00 H new ATOM 360 N GLY A 25 -3.975 3.794 4.556 1.00 0.00 N ATOM 361 CA GLY A 25 -4.321 4.745 3.479 1.00 0.00 C ATOM 362 C GLY A 25 -4.632 6.117 4.076 1.00 0.00 C ATOM 363 O GLY A 25 -4.297 6.413 5.205 1.00 0.00 O ATOM 0 H GLY A 25 -4.545 2.949 4.596 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -3.494 4.825 2.773 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -5.182 4.378 2.921 1.00 0.00 H new ATOM 367 N SER A 26 -5.288 6.951 3.316 1.00 0.00 N ATOM 368 CA SER A 26 -5.647 8.305 3.823 1.00 0.00 C ATOM 369 C SER A 26 -7.023 8.247 4.490 1.00 0.00 C ATOM 370 O SER A 26 -7.378 9.099 5.279 1.00 0.00 O ATOM 371 CB SER A 26 -5.697 9.290 2.654 1.00 0.00 C ATOM 372 OG SER A 26 -6.274 8.651 1.523 1.00 0.00 O ATOM 0 H SER A 26 -5.591 6.752 2.363 1.00 0.00 H new ATOM 0 HA SER A 26 -4.900 8.632 4.546 1.00 0.00 H new ATOM 0 HB2 SER A 26 -6.283 10.167 2.928 1.00 0.00 H new ATOM 0 HB3 SER A 26 -4.693 9.639 2.415 1.00 0.00 H new ATOM 0 HG SER A 26 -5.593 8.112 1.069 1.00 0.00 H new ATOM 378 N ASP A 27 -7.804 7.248 4.172 1.00 0.00 N ATOM 379 CA ASP A 27 -9.161 7.138 4.780 1.00 0.00 C ATOM 380 C ASP A 27 -9.103 6.255 6.029 1.00 0.00 C ATOM 381 O ASP A 27 -10.112 5.988 6.651 1.00 0.00 O ATOM 382 CB ASP A 27 -10.122 6.523 3.763 1.00 0.00 C ATOM 383 CG ASP A 27 -9.670 5.101 3.432 1.00 0.00 C ATOM 384 OD1 ASP A 27 -9.455 4.339 4.359 1.00 0.00 O ATOM 385 OD2 ASP A 27 -9.543 4.798 2.257 1.00 0.00 O ATOM 0 H ASP A 27 -7.560 6.504 3.518 1.00 0.00 H new ATOM 0 HA ASP A 27 -9.511 8.131 5.062 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -11.135 6.510 4.165 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -10.147 7.129 2.857 1.00 0.00 H new ATOM 390 N ASN A 28 -7.928 5.809 6.396 1.00 0.00 N ATOM 391 CA ASN A 28 -7.775 4.948 7.610 1.00 0.00 C ATOM 392 C ASN A 28 -7.977 3.474 7.246 1.00 0.00 C ATOM 393 O ASN A 28 -8.502 2.702 8.024 1.00 0.00 O ATOM 394 CB ASN A 28 -8.795 5.355 8.680 1.00 0.00 C ATOM 395 CG ASN A 28 -8.310 4.889 10.051 1.00 0.00 C ATOM 396 OD1 ASN A 28 -7.129 4.921 10.328 1.00 0.00 O ATOM 397 ND2 ASN A 28 -9.175 4.457 10.927 1.00 0.00 N ATOM 0 H ASN A 28 -7.058 6.007 5.901 1.00 0.00 H new ATOM 0 HA ASN A 28 -6.768 5.084 8.003 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -8.928 6.437 8.678 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -9.767 4.914 8.457 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -8.859 4.146 11.845 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -10.168 4.430 10.693 1.00 0.00 H new ATOM 404 N LYS A 29 -7.549 3.068 6.081 1.00 0.00 N ATOM 405 CA LYS A 29 -7.701 1.636 5.692 1.00 0.00 C ATOM 406 C LYS A 29 -6.340 0.951 5.808 1.00 0.00 C ATOM 407 O LYS A 29 -5.466 1.147 4.988 1.00 0.00 O ATOM 408 CB LYS A 29 -8.202 1.536 4.251 1.00 0.00 C ATOM 409 CG LYS A 29 -9.320 0.497 4.177 1.00 0.00 C ATOM 410 CD LYS A 29 -10.555 1.019 4.914 1.00 0.00 C ATOM 411 CE LYS A 29 -11.178 2.170 4.122 1.00 0.00 C ATOM 412 NZ LYS A 29 -12.615 1.875 3.864 1.00 0.00 N ATOM 0 H LYS A 29 -7.102 3.664 5.384 1.00 0.00 H new ATOM 0 HA LYS A 29 -8.423 1.152 6.350 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -8.568 2.505 3.913 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -7.384 1.255 3.588 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -9.567 0.287 3.136 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -8.988 -0.441 4.622 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -11.282 0.216 5.041 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -10.279 1.359 5.912 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -11.081 3.102 4.678 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -10.648 2.305 3.179 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -13.039 2.657 3.326 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -12.696 0.994 3.317 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -13.115 1.767 4.769 1.00 0.00 H new ATOM 426 N THR A 30 -6.146 0.163 6.828 1.00 0.00 N ATOM 427 CA THR A 30 -4.831 -0.513 6.999 1.00 0.00 C ATOM 428 C THR A 30 -4.649 -1.607 5.955 1.00 0.00 C ATOM 429 O THR A 30 -5.369 -2.586 5.932 1.00 0.00 O ATOM 430 CB THR A 30 -4.747 -1.155 8.385 1.00 0.00 C ATOM 431 OG1 THR A 30 -4.847 -0.153 9.383 1.00 0.00 O ATOM 432 CG2 THR A 30 -3.408 -1.891 8.520 1.00 0.00 C ATOM 0 H THR A 30 -6.839 -0.042 7.548 1.00 0.00 H new ATOM 0 HA THR A 30 -4.051 0.239 6.883 1.00 0.00 H new ATOM 0 HB THR A 30 -5.566 -1.863 8.510 1.00 0.00 H new ATOM 0 HG1 THR A 30 -4.620 0.718 8.996 1.00 0.00 H new ATOM 0 HG21 THR A 30 -3.343 -2.350 9.506 1.00 0.00 H new ATOM 0 HG22 THR A 30 -3.339 -2.664 7.754 1.00 0.00 H new ATOM 0 HG23 THR A 30 -2.589 -1.182 8.395 1.00 0.00 H new ATOM 440 N TYR A 31 -3.662 -1.475 5.119 1.00 0.00 N ATOM 441 CA TYR A 31 -3.402 -2.535 4.114 1.00 0.00 C ATOM 442 C TYR A 31 -2.264 -3.393 4.660 1.00 0.00 C ATOM 443 O TYR A 31 -1.286 -2.866 5.162 1.00 0.00 O ATOM 444 CB TYR A 31 -3.008 -1.905 2.777 1.00 0.00 C ATOM 445 CG TYR A 31 -4.260 -1.584 1.994 1.00 0.00 C ATOM 446 CD1 TYR A 31 -4.861 -2.569 1.201 1.00 0.00 C ATOM 447 CD2 TYR A 31 -4.823 -0.304 2.064 1.00 0.00 C ATOM 448 CE1 TYR A 31 -6.023 -2.276 0.478 1.00 0.00 C ATOM 449 CE2 TYR A 31 -5.985 -0.010 1.341 1.00 0.00 C ATOM 450 CZ TYR A 31 -6.585 -0.996 0.548 1.00 0.00 C ATOM 451 OH TYR A 31 -7.731 -0.705 -0.164 1.00 0.00 O ATOM 0 H TYR A 31 -3.025 -0.679 5.089 1.00 0.00 H new ATOM 0 HA TYR A 31 -4.291 -3.141 3.941 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -2.427 -0.998 2.945 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -2.375 -2.589 2.211 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -4.427 -3.557 1.147 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -4.361 0.457 2.676 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -6.486 -3.037 -0.133 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -6.419 0.978 1.395 1.00 0.00 H new ATOM 0 HH TYR A 31 -7.988 0.227 -0.003 1.00 0.00 H new ATOM 461 N GLY A 32 -2.405 -4.701 4.607 1.00 0.00 N ATOM 462 CA GLY A 32 -1.355 -5.612 5.166 1.00 0.00 C ATOM 463 C GLY A 32 0.016 -4.954 5.075 1.00 0.00 C ATOM 464 O GLY A 32 0.703 -4.791 6.065 1.00 0.00 O ATOM 0 H GLY A 32 -3.209 -5.177 4.197 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -1.584 -5.849 6.205 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -1.351 -6.554 4.618 1.00 0.00 H new ATOM 468 N ASN A 33 0.415 -4.545 3.906 1.00 0.00 N ATOM 469 CA ASN A 33 1.727 -3.871 3.793 1.00 0.00 C ATOM 470 C ASN A 33 1.808 -3.071 2.494 1.00 0.00 C ATOM 471 O ASN A 33 0.884 -2.377 2.125 1.00 0.00 O ATOM 472 CB ASN A 33 2.854 -4.897 3.846 1.00 0.00 C ATOM 473 CG ASN A 33 2.805 -5.789 2.609 1.00 0.00 C ATOM 474 OD1 ASN A 33 1.888 -5.709 1.821 1.00 0.00 O ATOM 475 ND2 ASN A 33 3.773 -6.632 2.406 1.00 0.00 N ATOM 0 H ASN A 33 -0.106 -4.648 3.035 1.00 0.00 H new ATOM 0 HA ASN A 33 1.835 -3.184 4.632 1.00 0.00 H new ATOM 0 HB2 ASN A 33 3.817 -4.389 3.901 1.00 0.00 H new ATOM 0 HB3 ASN A 33 2.762 -5.504 4.746 1.00 0.00 H new ATOM 0 HD21 ASN A 33 3.763 -7.230 1.580 1.00 0.00 H new ATOM 0 HD22 ASN A 33 4.542 -6.695 3.073 1.00 0.00 H new ATOM 482 N LYS A 34 2.923 -3.131 1.821 1.00 0.00 N ATOM 483 CA LYS A 34 3.084 -2.346 0.580 1.00 0.00 C ATOM 484 C LYS A 34 2.309 -2.981 -0.589 1.00 0.00 C ATOM 485 O LYS A 34 1.675 -2.290 -1.358 1.00 0.00 O ATOM 486 CB LYS A 34 4.585 -2.262 0.274 1.00 0.00 C ATOM 487 CG LYS A 34 4.998 -3.283 -0.793 1.00 0.00 C ATOM 488 CD LYS A 34 6.479 -3.096 -1.130 1.00 0.00 C ATOM 489 CE LYS A 34 6.633 -2.800 -2.622 1.00 0.00 C ATOM 490 NZ LYS A 34 7.856 -1.977 -2.840 1.00 0.00 N ATOM 0 H LYS A 34 3.731 -3.695 2.084 1.00 0.00 H new ATOM 0 HA LYS A 34 2.672 -1.346 0.714 1.00 0.00 H new ATOM 0 HB2 LYS A 34 4.832 -1.257 -0.067 1.00 0.00 H new ATOM 0 HB3 LYS A 34 5.154 -2.438 1.187 1.00 0.00 H new ATOM 0 HG2 LYS A 34 4.821 -4.296 -0.431 1.00 0.00 H new ATOM 0 HG3 LYS A 34 4.391 -3.155 -1.689 1.00 0.00 H new ATOM 0 HD2 LYS A 34 6.896 -2.278 -0.542 1.00 0.00 H new ATOM 0 HD3 LYS A 34 7.038 -3.994 -0.868 1.00 0.00 H new ATOM 0 HE2 LYS A 34 6.703 -3.732 -3.183 1.00 0.00 H new ATOM 0 HE3 LYS A 34 5.755 -2.271 -2.992 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 7.962 -1.775 -3.855 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 7.771 -1.083 -2.316 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 8.690 -2.498 -2.502 1.00 0.00 H new ATOM 504 N CYS A 35 2.361 -4.278 -0.747 1.00 0.00 N ATOM 505 CA CYS A 35 1.625 -4.906 -1.885 1.00 0.00 C ATOM 506 C CYS A 35 0.121 -4.727 -1.687 1.00 0.00 C ATOM 507 O CYS A 35 -0.619 -4.550 -2.631 1.00 0.00 O ATOM 508 CB CYS A 35 1.943 -6.401 -1.971 1.00 0.00 C ATOM 509 SG CYS A 35 1.329 -7.046 -3.550 1.00 0.00 S ATOM 0 H CYS A 35 2.874 -4.923 -0.146 1.00 0.00 H new ATOM 0 HA CYS A 35 1.939 -4.420 -2.809 1.00 0.00 H new ATOM 0 HB2 CYS A 35 3.018 -6.562 -1.891 1.00 0.00 H new ATOM 0 HB3 CYS A 35 1.478 -6.933 -1.141 1.00 0.00 H new ATOM 514 N ASN A 36 -0.339 -4.782 -0.469 1.00 0.00 N ATOM 515 CA ASN A 36 -1.802 -4.620 -0.224 1.00 0.00 C ATOM 516 C ASN A 36 -2.184 -3.139 -0.318 1.00 0.00 C ATOM 517 O ASN A 36 -3.217 -2.792 -0.858 1.00 0.00 O ATOM 518 CB ASN A 36 -2.158 -5.161 1.162 1.00 0.00 C ATOM 519 CG ASN A 36 -1.913 -6.670 1.190 1.00 0.00 C ATOM 520 OD1 ASN A 36 -2.844 -7.451 1.143 1.00 0.00 O ATOM 521 ND2 ASN A 36 -0.690 -7.114 1.264 1.00 0.00 N ATOM 0 H ASN A 36 0.230 -4.931 0.365 1.00 0.00 H new ATOM 0 HA ASN A 36 -2.355 -5.179 -0.979 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -1.554 -4.668 1.924 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -3.201 -4.945 1.393 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -0.512 -8.118 1.283 1.00 0.00 H new ATOM 0 HD22 ASN A 36 0.089 -6.457 1.303 1.00 0.00 H new ATOM 528 N PHE A 37 -1.365 -2.260 0.199 1.00 0.00 N ATOM 529 CA PHE A 37 -1.696 -0.804 0.127 1.00 0.00 C ATOM 530 C PHE A 37 -1.791 -0.375 -1.317 1.00 0.00 C ATOM 531 O PHE A 37 -2.682 0.347 -1.724 1.00 0.00 O ATOM 532 CB PHE A 37 -0.588 0.040 0.755 1.00 0.00 C ATOM 533 CG PHE A 37 -1.011 1.478 0.712 1.00 0.00 C ATOM 534 CD1 PHE A 37 -2.262 1.876 1.174 1.00 0.00 C ATOM 535 CD2 PHE A 37 -0.148 2.400 0.136 1.00 0.00 C ATOM 536 CE1 PHE A 37 -2.652 3.216 1.056 1.00 0.00 C ATOM 537 CE2 PHE A 37 -0.525 3.738 0.021 1.00 0.00 C ATOM 538 CZ PHE A 37 -1.783 4.150 0.479 1.00 0.00 C ATOM 0 H PHE A 37 -0.486 -2.485 0.665 1.00 0.00 H new ATOM 0 HA PHE A 37 -2.637 -0.658 0.657 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -0.409 -0.273 1.784 1.00 0.00 H new ATOM 0 HB3 PHE A 37 0.348 -0.097 0.213 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -2.929 1.154 1.622 1.00 0.00 H new ATOM 0 HD2 PHE A 37 0.819 2.080 -0.224 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -3.623 3.529 1.410 1.00 0.00 H new ATOM 0 HE2 PHE A 37 0.152 4.455 -0.420 1.00 0.00 H new ATOM 0 HZ PHE A 37 -2.081 5.184 0.387 1.00 0.00 H new ATOM 548 N CYS A 38 -0.850 -0.796 -2.083 1.00 0.00 N ATOM 549 CA CYS A 38 -0.836 -0.394 -3.509 1.00 0.00 C ATOM 550 C CYS A 38 -1.965 -1.105 -4.241 1.00 0.00 C ATOM 551 O CYS A 38 -2.680 -0.500 -5.000 1.00 0.00 O ATOM 552 CB CYS A 38 0.500 -0.744 -4.167 1.00 0.00 C ATOM 553 SG CYS A 38 0.345 -0.518 -5.952 1.00 0.00 S ATOM 0 H CYS A 38 -0.084 -1.403 -1.791 1.00 0.00 H new ATOM 0 HA CYS A 38 -0.972 0.686 -3.566 1.00 0.00 H new ATOM 0 HB2 CYS A 38 1.293 -0.108 -3.773 1.00 0.00 H new ATOM 0 HB3 CYS A 38 0.775 -1.774 -3.939 1.00 0.00 H new ATOM 558 N ASN A 39 -2.138 -2.382 -4.028 1.00 0.00 N ATOM 559 CA ASN A 39 -3.242 -3.092 -4.734 1.00 0.00 C ATOM 560 C ASN A 39 -4.479 -2.200 -4.680 1.00 0.00 C ATOM 561 O ASN A 39 -5.293 -2.184 -5.575 1.00 0.00 O ATOM 562 CB ASN A 39 -3.530 -4.429 -4.047 1.00 0.00 C ATOM 563 CG ASN A 39 -2.433 -5.435 -4.397 1.00 0.00 C ATOM 564 OD1 ASN A 39 -1.607 -5.180 -5.251 1.00 0.00 O ATOM 565 ND2 ASN A 39 -2.390 -6.580 -3.771 1.00 0.00 N ATOM 0 H ASN A 39 -1.571 -2.957 -3.405 1.00 0.00 H new ATOM 0 HA ASN A 39 -2.963 -3.294 -5.768 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -3.579 -4.291 -2.967 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -4.501 -4.810 -4.364 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -1.664 -7.259 -3.999 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -3.083 -6.796 -3.054 1.00 0.00 H new ATOM 572 N ALA A 40 -4.587 -1.415 -3.644 1.00 0.00 N ATOM 573 CA ALA A 40 -5.730 -0.475 -3.535 1.00 0.00 C ATOM 574 C ALA A 40 -5.471 0.675 -4.509 1.00 0.00 C ATOM 575 O ALA A 40 -6.316 1.048 -5.299 1.00 0.00 O ATOM 576 CB ALA A 40 -5.804 0.061 -2.103 1.00 0.00 C ATOM 0 H ALA A 40 -3.928 -1.386 -2.866 1.00 0.00 H new ATOM 0 HA ALA A 40 -6.672 -0.970 -3.773 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -6.642 0.753 -2.016 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -5.945 -0.769 -1.411 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -4.877 0.582 -1.861 1.00 0.00 H new ATOM 582 N VAL A 41 -4.286 1.225 -4.458 1.00 0.00 N ATOM 583 CA VAL A 41 -3.918 2.344 -5.375 1.00 0.00 C ATOM 584 C VAL A 41 -4.069 1.899 -6.835 1.00 0.00 C ATOM 585 O VAL A 41 -4.872 2.424 -7.576 1.00 0.00 O ATOM 586 CB VAL A 41 -2.454 2.724 -5.128 1.00 0.00 C ATOM 587 CG1 VAL A 41 -2.048 3.864 -6.067 1.00 0.00 C ATOM 588 CG2 VAL A 41 -2.277 3.167 -3.674 1.00 0.00 C ATOM 0 H VAL A 41 -3.549 0.943 -3.812 1.00 0.00 H new ATOM 0 HA VAL A 41 -4.573 3.194 -5.186 1.00 0.00 H new ATOM 0 HB VAL A 41 -1.821 1.858 -5.322 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -1.006 4.130 -5.887 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -2.167 3.543 -7.102 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -2.681 4.731 -5.881 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -1.235 3.437 -3.500 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -2.913 4.030 -3.476 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -2.556 2.350 -3.008 1.00 0.00 H new ATOM 598 N VAL A 42 -3.271 0.954 -7.255 1.00 0.00 N ATOM 599 CA VAL A 42 -3.310 0.477 -8.657 1.00 0.00 C ATOM 600 C VAL A 42 -4.708 -0.029 -9.060 1.00 0.00 C ATOM 601 O VAL A 42 -5.062 0.010 -10.221 1.00 0.00 O ATOM 602 CB VAL A 42 -2.275 -0.641 -8.804 1.00 0.00 C ATOM 603 CG1 VAL A 42 -2.571 -1.782 -7.830 1.00 0.00 C ATOM 604 CG2 VAL A 42 -2.306 -1.165 -10.232 1.00 0.00 C ATOM 0 H VAL A 42 -2.581 0.486 -6.668 1.00 0.00 H new ATOM 0 HA VAL A 42 -3.078 1.309 -9.322 1.00 0.00 H new ATOM 0 HB VAL A 42 -1.287 -0.241 -8.576 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -1.824 -2.566 -7.951 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -2.540 -1.405 -6.808 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -3.561 -2.189 -8.036 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -1.571 -1.962 -10.343 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -3.299 -1.554 -10.455 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -2.070 -0.355 -10.922 1.00 0.00 H new ATOM 614 N GLU A 43 -5.516 -0.492 -8.140 1.00 0.00 N ATOM 615 CA GLU A 43 -6.875 -0.969 -8.547 1.00 0.00 C ATOM 616 C GLU A 43 -7.867 0.187 -8.423 1.00 0.00 C ATOM 617 O GLU A 43 -8.980 0.121 -8.906 1.00 0.00 O ATOM 618 CB GLU A 43 -7.327 -2.136 -7.661 1.00 0.00 C ATOM 619 CG GLU A 43 -8.021 -3.192 -8.522 1.00 0.00 C ATOM 620 CD GLU A 43 -9.295 -3.664 -7.820 1.00 0.00 C ATOM 621 OE1 GLU A 43 -10.328 -3.051 -8.031 1.00 0.00 O ATOM 622 OE2 GLU A 43 -9.217 -4.632 -7.080 1.00 0.00 O ATOM 0 H GLU A 43 -5.302 -0.560 -7.145 1.00 0.00 H new ATOM 0 HA GLU A 43 -6.835 -1.317 -9.579 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -6.468 -2.574 -7.152 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -8.007 -1.777 -6.888 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -8.264 -2.777 -9.500 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -7.352 -4.036 -8.691 1.00 0.00 H new ATOM 629 N SER A 44 -7.468 1.245 -7.774 1.00 0.00 N ATOM 630 CA SER A 44 -8.380 2.412 -7.607 1.00 0.00 C ATOM 631 C SER A 44 -7.934 3.547 -8.531 1.00 0.00 C ATOM 632 O SER A 44 -7.935 4.697 -8.151 1.00 0.00 O ATOM 633 CB SER A 44 -8.328 2.889 -6.153 1.00 0.00 C ATOM 634 OG SER A 44 -6.992 3.241 -5.821 1.00 0.00 O ATOM 0 H SER A 44 -6.546 1.353 -7.350 1.00 0.00 H new ATOM 0 HA SER A 44 -9.398 2.118 -7.861 1.00 0.00 H new ATOM 0 HB2 SER A 44 -8.987 3.747 -6.016 1.00 0.00 H new ATOM 0 HB3 SER A 44 -8.685 2.103 -5.488 1.00 0.00 H new ATOM 0 HG SER A 44 -6.472 2.428 -5.651 1.00 0.00 H new ATOM 640 N ASN A 45 -7.547 3.231 -9.738 1.00 0.00 N ATOM 641 CA ASN A 45 -7.087 4.289 -10.689 1.00 0.00 C ATOM 642 C ASN A 45 -6.127 5.233 -9.962 1.00 0.00 C ATOM 643 O ASN A 45 -6.220 6.440 -10.067 1.00 0.00 O ATOM 644 CB ASN A 45 -8.279 5.080 -11.255 1.00 0.00 C ATOM 645 CG ASN A 45 -9.335 5.312 -10.171 1.00 0.00 C ATOM 646 OD1 ASN A 45 -10.023 4.393 -9.772 1.00 0.00 O ATOM 647 ND2 ASN A 45 -9.497 6.508 -9.676 1.00 0.00 N ATOM 0 H ASN A 45 -7.529 2.281 -10.109 1.00 0.00 H new ATOM 0 HA ASN A 45 -6.575 3.813 -11.525 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -7.934 6.038 -11.646 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -8.720 4.535 -12.090 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -10.200 6.671 -8.955 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -8.920 7.280 -10.010 1.00 0.00 H new ATOM 654 N GLY A 46 -5.202 4.673 -9.227 1.00 0.00 N ATOM 655 CA GLY A 46 -4.210 5.492 -8.472 1.00 0.00 C ATOM 656 C GLY A 46 -4.882 6.741 -7.915 1.00 0.00 C ATOM 657 O GLY A 46 -4.373 7.839 -8.020 1.00 0.00 O ATOM 0 H GLY A 46 -5.091 3.665 -9.117 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -3.785 4.904 -7.658 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -3.385 5.774 -9.127 1.00 0.00 H new ATOM 661 N THR A 47 -6.022 6.572 -7.315 1.00 0.00 N ATOM 662 CA THR A 47 -6.746 7.735 -6.733 1.00 0.00 C ATOM 663 C THR A 47 -6.656 7.671 -5.206 1.00 0.00 C ATOM 664 O THR A 47 -7.052 8.587 -4.512 1.00 0.00 O ATOM 665 CB THR A 47 -8.216 7.689 -7.157 1.00 0.00 C ATOM 666 OG1 THR A 47 -8.873 8.863 -6.702 1.00 0.00 O ATOM 667 CG2 THR A 47 -8.889 6.457 -6.548 1.00 0.00 C ATOM 0 H THR A 47 -6.489 5.672 -7.201 1.00 0.00 H new ATOM 0 HA THR A 47 -6.295 8.661 -7.090 1.00 0.00 H new ATOM 0 HB THR A 47 -8.279 7.633 -8.244 1.00 0.00 H new ATOM 0 HG1 THR A 47 -8.467 9.160 -5.861 1.00 0.00 H new ATOM 0 HG21 THR A 47 -9.935 6.427 -6.851 1.00 0.00 H new ATOM 0 HG22 THR A 47 -8.384 5.556 -6.897 1.00 0.00 H new ATOM 0 HG23 THR A 47 -8.828 6.509 -5.461 1.00 0.00 H new ATOM 675 N LEU A 48 -6.150 6.591 -4.676 1.00 0.00 N ATOM 676 CA LEU A 48 -6.044 6.456 -3.207 1.00 0.00 C ATOM 677 C LEU A 48 -4.731 7.066 -2.719 1.00 0.00 C ATOM 678 O LEU A 48 -3.665 6.766 -3.216 1.00 0.00 O ATOM 679 CB LEU A 48 -6.086 4.960 -2.857 1.00 0.00 C ATOM 680 CG LEU A 48 -5.419 4.690 -1.501 1.00 0.00 C ATOM 681 CD1 LEU A 48 -6.386 5.042 -0.381 1.00 0.00 C ATOM 682 CD2 LEU A 48 -5.050 3.209 -1.414 1.00 0.00 C ATOM 0 H LEU A 48 -5.804 5.793 -5.208 1.00 0.00 H new ATOM 0 HA LEU A 48 -6.869 6.980 -2.723 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -7.121 4.618 -2.831 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -5.581 4.387 -3.635 1.00 0.00 H new ATOM 0 HG LEU A 48 -4.520 5.299 -1.403 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -5.913 4.850 0.582 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -6.654 6.096 -0.450 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -7.285 4.432 -0.471 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -4.575 3.008 -0.454 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -5.951 2.603 -1.507 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -4.360 2.958 -2.219 1.00 0.00 H new ATOM 694 N THR A 49 -4.807 7.875 -1.707 1.00 0.00 N ATOM 695 CA THR A 49 -3.577 8.466 -1.122 1.00 0.00 C ATOM 696 C THR A 49 -3.495 7.937 0.300 1.00 0.00 C ATOM 697 O THR A 49 -4.465 7.428 0.816 1.00 0.00 O ATOM 698 CB THR A 49 -3.667 9.996 -1.107 1.00 0.00 C ATOM 699 OG1 THR A 49 -4.109 10.431 0.172 1.00 0.00 O ATOM 700 CG2 THR A 49 -4.652 10.471 -2.178 1.00 0.00 C ATOM 0 H THR A 49 -5.677 8.156 -1.255 1.00 0.00 H new ATOM 0 HA THR A 49 -2.696 8.199 -1.705 1.00 0.00 H new ATOM 0 HB THR A 49 -2.683 10.416 -1.316 1.00 0.00 H new ATOM 0 HG1 THR A 49 -4.166 11.409 0.183 1.00 0.00 H new ATOM 0 HG21 THR A 49 -4.711 11.559 -2.161 1.00 0.00 H new ATOM 0 HG22 THR A 49 -4.310 10.141 -3.159 1.00 0.00 H new ATOM 0 HG23 THR A 49 -5.638 10.051 -1.977 1.00 0.00 H new ATOM 708 N LEU A 50 -2.373 8.002 0.945 1.00 0.00 N ATOM 709 CA LEU A 50 -2.326 7.447 2.306 1.00 0.00 C ATOM 710 C LEU A 50 -2.162 8.572 3.332 1.00 0.00 C ATOM 711 O LEU A 50 -2.099 9.734 2.985 1.00 0.00 O ATOM 712 CB LEU A 50 -1.193 6.406 2.347 1.00 0.00 C ATOM 713 CG LEU A 50 0.016 6.847 3.178 1.00 0.00 C ATOM 714 CD1 LEU A 50 0.322 5.744 4.176 1.00 0.00 C ATOM 715 CD2 LEU A 50 1.224 7.038 2.258 1.00 0.00 C ATOM 0 H LEU A 50 -1.505 8.407 0.594 1.00 0.00 H new ATOM 0 HA LEU A 50 -3.258 6.947 2.569 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -1.583 5.473 2.755 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -0.866 6.197 1.328 1.00 0.00 H new ATOM 0 HG LEU A 50 -0.197 7.785 3.691 1.00 0.00 H new ATOM 0 HD11 LEU A 50 1.181 6.031 4.783 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -0.542 5.587 4.821 1.00 0.00 H new ATOM 0 HD13 LEU A 50 0.548 4.822 3.641 1.00 0.00 H new ATOM 0 HD21 LEU A 50 2.085 7.352 2.848 1.00 0.00 H new ATOM 0 HD22 LEU A 50 1.451 6.097 1.756 1.00 0.00 H new ATOM 0 HD23 LEU A 50 0.997 7.801 1.513 1.00 0.00 H new ATOM 727 N SER A 51 -2.102 8.237 4.593 1.00 0.00 N ATOM 728 CA SER A 51 -1.955 9.282 5.627 1.00 0.00 C ATOM 729 C SER A 51 -0.739 8.958 6.496 1.00 0.00 C ATOM 730 O SER A 51 -0.064 9.842 6.985 1.00 0.00 O ATOM 731 CB SER A 51 -3.206 9.323 6.508 1.00 0.00 C ATOM 732 OG SER A 51 -3.872 10.566 6.332 1.00 0.00 O ATOM 0 H SER A 51 -2.149 7.281 4.945 1.00 0.00 H new ATOM 0 HA SER A 51 -1.823 10.251 5.145 1.00 0.00 H new ATOM 0 HB2 SER A 51 -3.873 8.501 6.248 1.00 0.00 H new ATOM 0 HB3 SER A 51 -2.931 9.191 7.554 1.00 0.00 H new ATOM 0 HG SER A 51 -4.674 10.590 6.895 1.00 0.00 H new ATOM 738 N HIS A 52 -0.452 7.697 6.698 1.00 0.00 N ATOM 739 CA HIS A 52 0.724 7.338 7.541 1.00 0.00 C ATOM 740 C HIS A 52 1.105 5.874 7.310 1.00 0.00 C ATOM 741 O HIS A 52 0.270 4.991 7.326 1.00 0.00 O ATOM 742 CB HIS A 52 0.384 7.561 9.015 1.00 0.00 C ATOM 743 CG HIS A 52 -0.667 6.579 9.464 1.00 0.00 C ATOM 744 ND1 HIS A 52 -0.460 5.725 10.536 1.00 0.00 N ATOM 745 CD2 HIS A 52 -1.947 6.324 9.025 1.00 0.00 C ATOM 746 CE1 HIS A 52 -1.585 5.009 10.709 1.00 0.00 C ATOM 747 NE2 HIS A 52 -2.523 5.337 9.819 1.00 0.00 N ATOM 0 H HIS A 52 -0.977 6.909 6.319 1.00 0.00 H new ATOM 0 HA HIS A 52 1.569 7.970 7.267 1.00 0.00 H new ATOM 0 HB2 HIS A 52 1.281 7.447 9.623 1.00 0.00 H new ATOM 0 HB3 HIS A 52 0.026 8.580 9.162 1.00 0.00 H new ATOM 0 HD1 HIS A 52 0.392 5.653 11.093 1.00 0.00 H new ATOM 0 HD2 HIS A 52 -2.430 6.815 8.193 1.00 0.00 H new ATOM 0 HE1 HIS A 52 -1.714 4.259 11.476 1.00 0.00 H new ATOM 755 N PHE A 53 2.366 5.614 7.092 1.00 0.00 N ATOM 756 CA PHE A 53 2.815 4.214 6.853 1.00 0.00 C ATOM 757 C PHE A 53 2.788 3.426 8.165 1.00 0.00 C ATOM 758 O PHE A 53 3.542 3.695 9.081 1.00 0.00 O ATOM 759 CB PHE A 53 4.239 4.220 6.303 1.00 0.00 C ATOM 760 CG PHE A 53 4.244 4.776 4.898 1.00 0.00 C ATOM 761 CD1 PHE A 53 4.075 6.150 4.684 1.00 0.00 C ATOM 762 CD2 PHE A 53 4.418 3.916 3.808 1.00 0.00 C ATOM 763 CE1 PHE A 53 4.081 6.661 3.380 1.00 0.00 C ATOM 764 CE2 PHE A 53 4.423 4.427 2.505 1.00 0.00 C ATOM 765 CZ PHE A 53 4.255 5.799 2.291 1.00 0.00 C ATOM 0 H PHE A 53 3.107 6.315 7.069 1.00 0.00 H new ATOM 0 HA PHE A 53 2.144 3.745 6.134 1.00 0.00 H new ATOM 0 HB2 PHE A 53 4.883 4.822 6.944 1.00 0.00 H new ATOM 0 HB3 PHE A 53 4.643 3.208 6.305 1.00 0.00 H new ATOM 0 HD1 PHE A 53 3.940 6.815 5.524 1.00 0.00 H new ATOM 0 HD2 PHE A 53 4.549 2.857 3.972 1.00 0.00 H new ATOM 0 HE1 PHE A 53 3.951 7.720 3.215 1.00 0.00 H new ATOM 0 HE2 PHE A 53 4.557 3.762 1.665 1.00 0.00 H new ATOM 0 HZ PHE A 53 4.260 6.193 1.286 1.00 0.00 H new ATOM 775 N GLY A 54 1.926 2.454 8.260 1.00 0.00 N ATOM 776 CA GLY A 54 1.834 1.643 9.493 1.00 0.00 C ATOM 777 C GLY A 54 0.384 1.220 9.692 1.00 0.00 C ATOM 778 O GLY A 54 -0.479 1.509 8.888 1.00 0.00 O ATOM 0 H GLY A 54 1.274 2.187 7.522 1.00 0.00 H new ATOM 0 HA2 GLY A 54 2.477 0.766 9.417 1.00 0.00 H new ATOM 0 HA3 GLY A 54 2.181 2.219 10.351 1.00 0.00 H new ATOM 782 N LYS A 55 0.110 0.576 10.779 1.00 0.00 N ATOM 783 CA LYS A 55 -1.288 0.170 11.067 1.00 0.00 C ATOM 784 C LYS A 55 -2.008 1.377 11.664 1.00 0.00 C ATOM 785 O LYS A 55 -1.408 2.216 12.307 1.00 0.00 O ATOM 786 CB LYS A 55 -1.353 -1.010 12.053 1.00 0.00 C ATOM 787 CG LYS A 55 0.033 -1.628 12.312 1.00 0.00 C ATOM 788 CD LYS A 55 0.868 -0.724 13.226 1.00 0.00 C ATOM 789 CE LYS A 55 1.055 -1.401 14.585 1.00 0.00 C ATOM 790 NZ LYS A 55 0.169 -0.750 15.592 1.00 0.00 N ATOM 0 H LYS A 55 0.795 0.310 11.487 1.00 0.00 H new ATOM 0 HA LYS A 55 -1.761 -0.159 10.142 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -1.779 -0.670 12.997 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -2.022 -1.775 11.658 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -0.081 -2.610 12.770 1.00 0.00 H new ATOM 0 HG3 LYS A 55 0.553 -1.776 11.366 1.00 0.00 H new ATOM 0 HD2 LYS A 55 1.838 -0.526 12.770 1.00 0.00 H new ATOM 0 HD3 LYS A 55 0.373 0.239 13.353 1.00 0.00 H new ATOM 0 HE2 LYS A 55 0.819 -2.462 14.510 1.00 0.00 H new ATOM 0 HE3 LYS A 55 2.096 -1.327 14.900 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 0.296 -1.210 16.516 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 0.414 0.258 15.671 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -0.823 -0.842 15.293 1.00 0.00 H new ATOM 804 N CYS A 56 -3.274 1.502 11.407 1.00 0.00 N ATOM 805 CA CYS A 56 -4.023 2.681 11.896 1.00 0.00 C ATOM 806 C CYS A 56 -4.269 2.553 13.401 1.00 0.00 C ATOM 807 O CYS A 56 -3.300 2.456 14.136 1.00 0.00 O ATOM 808 CB CYS A 56 -5.363 2.760 11.167 1.00 0.00 C ATOM 809 SG CYS A 56 -5.161 2.562 9.362 1.00 0.00 S ATOM 810 OXT CYS A 56 -5.425 2.556 13.794 1.00 0.00 O ATOM 0 H CYS A 56 -3.826 0.830 10.874 1.00 0.00 H new ATOM 0 HA CYS A 56 -3.443 3.584 11.704 1.00 0.00 H new ATOM 0 HB2 CYS A 56 -6.030 1.986 11.546 1.00 0.00 H new ATOM 0 HB3 CYS A 56 -5.836 3.719 11.377 1.00 0.00 H new TER 815 CYS A 56