USER MOD reduce.3.24.130724 H: found=0, std=0, add=472, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 470 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 Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 SER OG : rot 71:sc= -0.0458 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 11 ASN : amide:sc= -8.23! C(o=-8.2!,f=-22!) USER MOD Single : A 18 THR OG1 : rot -29:sc= 0.233 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 GLN : amide:sc= -1.22 K(o=-1.2,f=-0.5) USER MOD Single : A 35 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 SER OG : rot -62:sc= -2.65! USER MOD Single : A 43 LYS NZ :NH3+ -150:sc= -0.603 (180deg=-2.31!) USER MOD Single : A 53 ASN : amide:sc= -0.122 X(o=-0.12,f=-0.23) USER MOD Single : A 58 THR OG1 : rot 180:sc= -0.0159 USER MOD Single : A 60 GLN : amide:sc= -0.634 K(o=-0.63,f=0) USER MOD Single : A 61 SER OG : rot -102:sc= 0.54 USER MOD Single : A 67 ASN : amide:sc= -0.0124 X(o=-0.012,f=-0.012) USER MOD Single : A 70 TYR OH : rot -142:sc= 1.43! USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -12.775 -10.432 -2.120 1.00 0.00 N ATOM 2 CA GLY A 1 -11.720 -10.218 -1.090 1.00 0.00 C ATOM 3 C GLY A 1 -12.278 -9.354 0.042 1.00 0.00 C ATOM 4 O GLY A 1 -13.125 -9.781 0.802 1.00 0.00 O ATOM 0 H1 GLY A 1 -12.395 -11.020 -2.889 1.00 0.00 H new ATOM 0 H2 GLY A 1 -13.590 -10.912 -1.688 1.00 0.00 H new ATOM 0 H3 GLY A 1 -13.078 -9.514 -2.503 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -11.381 -11.177 -0.697 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -10.853 -9.733 -1.538 1.00 0.00 H new ATOM 8 N LYS A 2 -11.812 -8.141 0.161 1.00 0.00 N ATOM 9 CA LYS A 2 -12.317 -7.252 1.244 1.00 0.00 C ATOM 10 C LYS A 2 -13.580 -6.534 0.762 1.00 0.00 C ATOM 11 O LYS A 2 -14.000 -6.688 -0.367 1.00 0.00 O ATOM 12 CB LYS A 2 -11.244 -6.221 1.600 1.00 0.00 C ATOM 13 CG LYS A 2 -10.943 -6.292 3.099 1.00 0.00 C ATOM 14 CD LYS A 2 -10.201 -7.593 3.410 1.00 0.00 C ATOM 15 CE LYS A 2 -11.130 -8.542 4.170 1.00 0.00 C ATOM 16 NZ LYS A 2 -10.804 -8.497 5.623 1.00 0.00 N ATOM 0 H LYS A 2 -11.103 -7.728 -0.445 1.00 0.00 H new ATOM 0 HA LYS A 2 -12.552 -7.847 2.126 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -10.337 -6.412 1.027 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -11.584 -5.220 1.334 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -10.339 -5.436 3.400 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -11.871 -6.245 3.670 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -9.863 -8.061 2.485 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -9.312 -7.384 4.005 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -12.170 -8.256 4.010 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -11.018 -9.558 3.792 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -11.435 -9.142 6.140 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -9.816 -8.790 5.766 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -10.933 -7.528 5.978 1.00 0.00 H new ATOM 30 N GLU A 3 -14.191 -5.752 1.611 1.00 0.00 N ATOM 31 CA GLU A 3 -15.428 -5.031 1.199 1.00 0.00 C ATOM 32 C GLU A 3 -15.227 -3.524 1.357 1.00 0.00 C ATOM 33 O GLU A 3 -16.050 -2.734 0.937 1.00 0.00 O ATOM 34 CB GLU A 3 -16.598 -5.481 2.077 1.00 0.00 C ATOM 35 CG GLU A 3 -16.230 -5.297 3.551 1.00 0.00 C ATOM 36 CD GLU A 3 -15.871 -6.652 4.161 1.00 0.00 C ATOM 37 OE1 GLU A 3 -15.151 -7.397 3.517 1.00 0.00 O ATOM 38 OE2 GLU A 3 -16.321 -6.923 5.263 1.00 0.00 O ATOM 0 H GLU A 3 -13.887 -5.582 2.570 1.00 0.00 H new ATOM 0 HA GLU A 3 -15.644 -5.259 0.155 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -17.490 -4.901 1.839 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -16.835 -6.526 1.878 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -15.389 -4.610 3.644 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -17.065 -4.853 4.092 1.00 0.00 H new ATOM 45 N CYS A 4 -14.143 -3.113 1.956 1.00 0.00 N ATOM 46 CA CYS A 4 -13.908 -1.653 2.128 1.00 0.00 C ATOM 47 C CYS A 4 -12.595 -1.259 1.449 1.00 0.00 C ATOM 48 O CYS A 4 -11.536 -1.325 2.040 1.00 0.00 O ATOM 49 CB CYS A 4 -13.825 -1.309 3.618 1.00 0.00 C ATOM 50 SG CYS A 4 -15.289 -0.364 4.110 1.00 0.00 S ATOM 0 H CYS A 4 -13.415 -3.721 2.331 1.00 0.00 H new ATOM 0 HA CYS A 4 -14.735 -1.107 1.675 1.00 0.00 H new ATOM 0 HB2 CYS A 4 -13.755 -2.223 4.208 1.00 0.00 H new ATOM 0 HB3 CYS A 4 -12.923 -0.730 3.818 1.00 0.00 H new ATOM 55 N ASP A 5 -12.656 -0.837 0.216 1.00 0.00 N ATOM 56 CA ASP A 5 -11.409 -0.426 -0.489 1.00 0.00 C ATOM 57 C ASP A 5 -11.080 1.024 -0.121 1.00 0.00 C ATOM 58 O ASP A 5 -10.209 1.641 -0.702 1.00 0.00 O ATOM 59 CB ASP A 5 -11.613 -0.539 -2.004 1.00 0.00 C ATOM 60 CG ASP A 5 -10.418 -1.261 -2.627 1.00 0.00 C ATOM 61 OD1 ASP A 5 -9.418 -0.606 -2.873 1.00 0.00 O ATOM 62 OD2 ASP A 5 -10.520 -2.456 -2.846 1.00 0.00 O ATOM 0 H ASP A 5 -13.512 -0.759 -0.332 1.00 0.00 H new ATOM 0 HA ASP A 5 -10.587 -1.076 -0.190 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -12.533 -1.084 -2.218 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -11.721 0.453 -2.442 1.00 0.00 H new ATOM 67 N CYS A 6 -11.772 1.570 0.843 1.00 0.00 N ATOM 68 CA CYS A 6 -11.508 2.975 1.256 1.00 0.00 C ATOM 69 C CYS A 6 -11.941 3.154 2.712 1.00 0.00 C ATOM 70 O CYS A 6 -12.582 2.297 3.286 1.00 0.00 O ATOM 71 CB CYS A 6 -12.308 3.924 0.363 1.00 0.00 C ATOM 72 SG CYS A 6 -11.177 5.061 -0.477 1.00 0.00 S ATOM 0 H CYS A 6 -12.512 1.099 1.364 1.00 0.00 H new ATOM 0 HA CYS A 6 -10.446 3.198 1.158 1.00 0.00 H new ATOM 0 HB2 CYS A 6 -12.880 3.355 -0.370 1.00 0.00 H new ATOM 0 HB3 CYS A 6 -13.026 4.485 0.961 1.00 0.00 H new ATOM 77 N SER A 7 -11.600 4.258 3.317 1.00 0.00 N ATOM 78 CA SER A 7 -11.999 4.477 4.735 1.00 0.00 C ATOM 79 C SER A 7 -12.898 5.711 4.827 1.00 0.00 C ATOM 80 O SER A 7 -13.513 5.970 5.842 1.00 0.00 O ATOM 81 CB SER A 7 -10.750 4.693 5.589 1.00 0.00 C ATOM 82 OG SER A 7 -9.592 4.518 4.782 1.00 0.00 O ATOM 0 H SER A 7 -11.064 5.015 2.893 1.00 0.00 H new ATOM 0 HA SER A 7 -12.541 3.604 5.098 1.00 0.00 H new ATOM 0 HB2 SER A 7 -10.759 5.694 6.020 1.00 0.00 H new ATOM 0 HB3 SER A 7 -10.738 3.988 6.420 1.00 0.00 H new ATOM 0 HG SER A 7 -9.514 5.267 4.155 1.00 0.00 H new ATOM 88 N SER A 8 -12.978 6.477 3.774 1.00 0.00 N ATOM 89 CA SER A 8 -13.835 7.693 3.803 1.00 0.00 C ATOM 90 C SER A 8 -15.012 7.512 2.836 1.00 0.00 C ATOM 91 O SER A 8 -14.834 7.035 1.732 1.00 0.00 O ATOM 92 CB SER A 8 -13.009 8.907 3.378 1.00 0.00 C ATOM 93 OG SER A 8 -12.404 9.488 4.526 1.00 0.00 O ATOM 0 H SER A 8 -12.487 6.313 2.895 1.00 0.00 H new ATOM 0 HA SER A 8 -14.215 7.847 4.813 1.00 0.00 H new ATOM 0 HB2 SER A 8 -12.244 8.608 2.661 1.00 0.00 H new ATOM 0 HB3 SER A 8 -13.645 9.638 2.879 1.00 0.00 H new ATOM 0 HG SER A 8 -11.872 10.266 4.257 1.00 0.00 H new ATOM 99 N PRO A 9 -16.184 7.899 3.279 1.00 0.00 N ATOM 100 CA PRO A 9 -17.411 7.792 2.472 1.00 0.00 C ATOM 101 C PRO A 9 -17.484 8.938 1.458 1.00 0.00 C ATOM 102 O PRO A 9 -18.146 8.841 0.443 1.00 0.00 O ATOM 103 CB PRO A 9 -18.533 7.914 3.507 1.00 0.00 C ATOM 104 CG PRO A 9 -17.923 8.642 4.727 1.00 0.00 C ATOM 105 CD PRO A 9 -16.395 8.475 4.623 1.00 0.00 C ATOM 0 HA PRO A 9 -17.465 6.868 1.896 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -19.376 8.474 3.102 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -18.910 6.931 3.790 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -18.198 9.697 4.726 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -18.296 8.216 5.658 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -15.882 9.430 4.732 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -16.012 7.817 5.403 1.00 0.00 H new ATOM 113 N GLU A 10 -16.812 10.023 1.728 1.00 0.00 N ATOM 114 CA GLU A 10 -16.845 11.175 0.785 1.00 0.00 C ATOM 115 C GLU A 10 -15.773 10.987 -0.292 1.00 0.00 C ATOM 116 O GLU A 10 -15.441 11.902 -1.017 1.00 0.00 O ATOM 117 CB GLU A 10 -16.575 12.471 1.554 1.00 0.00 C ATOM 118 CG GLU A 10 -17.823 12.870 2.341 1.00 0.00 C ATOM 119 CD GLU A 10 -17.420 13.742 3.532 1.00 0.00 C ATOM 120 OE1 GLU A 10 -16.252 14.086 3.618 1.00 0.00 O ATOM 121 OE2 GLU A 10 -18.284 14.049 4.336 1.00 0.00 O ATOM 0 H GLU A 10 -16.241 10.161 2.562 1.00 0.00 H new ATOM 0 HA GLU A 10 -17.826 11.229 0.313 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -15.733 12.334 2.233 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -16.300 13.266 0.861 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -18.514 13.413 1.696 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -18.346 11.979 2.690 1.00 0.00 H new ATOM 128 N ASN A 11 -15.230 9.806 -0.399 1.00 0.00 N ATOM 129 CA ASN A 11 -14.181 9.561 -1.428 1.00 0.00 C ATOM 130 C ASN A 11 -14.852 9.211 -2.763 1.00 0.00 C ATOM 131 O ASN A 11 -15.697 8.339 -2.814 1.00 0.00 O ATOM 132 CB ASN A 11 -13.297 8.393 -0.983 1.00 0.00 C ATOM 133 CG ASN A 11 -12.117 8.246 -1.945 1.00 0.00 C ATOM 134 OD1 ASN A 11 -12.269 8.402 -3.141 1.00 0.00 O ATOM 135 ND2 ASN A 11 -10.938 7.950 -1.472 1.00 0.00 N ATOM 0 H ASN A 11 -15.467 9.001 0.181 1.00 0.00 H new ATOM 0 HA ASN A 11 -13.570 10.456 -1.549 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -12.934 8.564 0.030 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -13.879 7.471 -0.962 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -10.145 7.850 -2.105 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -10.809 7.819 -0.469 1.00 0.00 H new ATOM 142 N PRO A 12 -14.458 9.897 -3.808 1.00 0.00 N ATOM 143 CA PRO A 12 -15.010 9.672 -5.155 1.00 0.00 C ATOM 144 C PRO A 12 -14.367 8.434 -5.787 1.00 0.00 C ATOM 145 O PRO A 12 -14.965 7.754 -6.597 1.00 0.00 O ATOM 146 CB PRO A 12 -14.620 10.938 -5.920 1.00 0.00 C ATOM 147 CG PRO A 12 -13.408 11.543 -5.173 1.00 0.00 C ATOM 148 CD PRO A 12 -13.432 10.958 -3.748 1.00 0.00 C ATOM 0 HA PRO A 12 -16.086 9.496 -5.157 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -14.362 10.704 -6.953 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -15.450 11.644 -5.951 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -12.476 11.292 -5.679 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -13.473 12.631 -5.146 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -12.459 10.555 -3.467 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -13.688 11.718 -3.010 1.00 0.00 H new ATOM 156 N CYS A 13 -13.147 8.142 -5.426 1.00 0.00 N ATOM 157 CA CYS A 13 -12.459 6.958 -6.004 1.00 0.00 C ATOM 158 C CYS A 13 -12.938 5.685 -5.308 1.00 0.00 C ATOM 159 O CYS A 13 -12.533 4.591 -5.649 1.00 0.00 O ATOM 160 CB CYS A 13 -10.951 7.109 -5.806 1.00 0.00 C ATOM 161 SG CYS A 13 -10.095 6.462 -7.257 1.00 0.00 S ATOM 0 H CYS A 13 -12.597 8.676 -4.753 1.00 0.00 H new ATOM 0 HA CYS A 13 -12.689 6.890 -7.067 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -10.695 8.158 -5.655 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -10.634 6.572 -4.912 1.00 0.00 H new ATOM 166 N CYS A 14 -13.794 5.813 -4.336 1.00 0.00 N ATOM 167 CA CYS A 14 -14.286 4.600 -3.626 1.00 0.00 C ATOM 168 C CYS A 14 -15.782 4.748 -3.345 1.00 0.00 C ATOM 169 O CYS A 14 -16.200 5.588 -2.572 1.00 0.00 O ATOM 170 CB CYS A 14 -13.538 4.419 -2.296 1.00 0.00 C ATOM 171 SG CYS A 14 -11.944 5.287 -2.336 1.00 0.00 S ATOM 0 H CYS A 14 -14.173 6.699 -4.003 1.00 0.00 H new ATOM 0 HA CYS A 14 -14.109 3.728 -4.255 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -14.146 4.801 -1.476 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -13.376 3.358 -2.105 1.00 0.00 H new ATOM 176 N ASP A 15 -16.590 3.933 -3.962 1.00 0.00 N ATOM 177 CA ASP A 15 -18.057 4.016 -3.731 1.00 0.00 C ATOM 178 C ASP A 15 -18.333 4.014 -2.226 1.00 0.00 C ATOM 179 O ASP A 15 -17.993 3.081 -1.525 1.00 0.00 O ATOM 180 CB ASP A 15 -18.733 2.806 -4.376 1.00 0.00 C ATOM 181 CG ASP A 15 -20.125 3.199 -4.875 1.00 0.00 C ATOM 182 OD1 ASP A 15 -20.414 4.385 -4.889 1.00 0.00 O ATOM 183 OD2 ASP A 15 -20.877 2.310 -5.238 1.00 0.00 O ATOM 0 H ASP A 15 -16.296 3.210 -4.619 1.00 0.00 H new ATOM 0 HA ASP A 15 -18.450 4.933 -4.170 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -18.129 2.439 -5.206 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -18.811 1.993 -3.654 1.00 0.00 H new ATOM 188 N ALA A 16 -18.945 5.051 -1.724 1.00 0.00 N ATOM 189 CA ALA A 16 -19.239 5.110 -0.263 1.00 0.00 C ATOM 190 C ALA A 16 -20.223 4.000 0.109 1.00 0.00 C ATOM 191 O ALA A 16 -20.141 3.415 1.171 1.00 0.00 O ATOM 192 CB ALA A 16 -19.852 6.471 0.079 1.00 0.00 C ATOM 0 H ALA A 16 -19.255 5.861 -2.262 1.00 0.00 H new ATOM 0 HA ALA A 16 -18.314 4.975 0.298 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -20.067 6.515 1.147 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -19.150 7.262 -0.183 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -20.776 6.605 -0.483 1.00 0.00 H new ATOM 198 N ALA A 17 -21.154 3.703 -0.755 1.00 0.00 N ATOM 199 CA ALA A 17 -22.142 2.631 -0.446 1.00 0.00 C ATOM 200 C ALA A 17 -21.408 1.317 -0.170 1.00 0.00 C ATOM 201 O ALA A 17 -21.400 0.820 0.939 1.00 0.00 O ATOM 202 CB ALA A 17 -23.086 2.447 -1.635 1.00 0.00 C ATOM 0 H ALA A 17 -21.273 4.156 -1.661 1.00 0.00 H new ATOM 0 HA ALA A 17 -22.717 2.915 0.435 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -23.808 1.663 -1.408 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -23.613 3.381 -1.829 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -22.510 2.166 -2.517 1.00 0.00 H new ATOM 208 N THR A 18 -20.796 0.744 -1.171 1.00 0.00 N ATOM 209 CA THR A 18 -20.071 -0.541 -0.961 1.00 0.00 C ATOM 210 C THR A 18 -18.721 -0.275 -0.288 1.00 0.00 C ATOM 211 O THR A 18 -18.052 -1.188 0.150 1.00 0.00 O ATOM 212 CB THR A 18 -19.843 -1.226 -2.310 1.00 0.00 C ATOM 213 OG1 THR A 18 -19.212 -2.482 -2.100 1.00 0.00 O ATOM 214 CG2 THR A 18 -18.952 -0.346 -3.187 1.00 0.00 C ATOM 0 H THR A 18 -20.767 1.109 -2.123 1.00 0.00 H new ATOM 0 HA THR A 18 -20.669 -1.188 -0.319 1.00 0.00 H new ATOM 0 HB THR A 18 -20.801 -1.378 -2.807 1.00 0.00 H new ATOM 0 HG1 THR A 18 -18.669 -2.443 -1.285 1.00 0.00 H new ATOM 0 HG21 THR A 18 -18.790 -0.835 -4.148 1.00 0.00 H new ATOM 0 HG22 THR A 18 -19.437 0.617 -3.347 1.00 0.00 H new ATOM 0 HG23 THR A 18 -17.993 -0.192 -2.692 1.00 0.00 H new ATOM 222 N CYS A 19 -18.319 0.966 -0.198 1.00 0.00 N ATOM 223 CA CYS A 19 -17.015 1.282 0.455 1.00 0.00 C ATOM 224 C CYS A 19 -15.865 0.674 -0.358 1.00 0.00 C ATOM 225 O CYS A 19 -14.853 0.280 0.178 1.00 0.00 O ATOM 226 CB CYS A 19 -17.014 0.696 1.874 1.00 0.00 C ATOM 227 SG CYS A 19 -15.455 1.083 2.708 1.00 0.00 S ATOM 0 H CYS A 19 -18.836 1.772 -0.548 1.00 0.00 H new ATOM 0 HA CYS A 19 -16.880 2.363 0.502 1.00 0.00 H new ATOM 0 HB2 CYS A 19 -17.850 1.102 2.444 1.00 0.00 H new ATOM 0 HB3 CYS A 19 -17.153 -0.384 1.829 1.00 0.00 H new ATOM 232 N LYS A 20 -16.008 0.596 -1.652 1.00 0.00 N ATOM 233 CA LYS A 20 -14.915 0.009 -2.479 1.00 0.00 C ATOM 234 C LYS A 20 -14.635 0.905 -3.687 1.00 0.00 C ATOM 235 O LYS A 20 -15.250 1.936 -3.862 1.00 0.00 O ATOM 236 CB LYS A 20 -15.332 -1.381 -2.959 1.00 0.00 C ATOM 237 CG LYS A 20 -14.905 -2.431 -1.930 1.00 0.00 C ATOM 238 CD LYS A 20 -14.991 -3.824 -2.558 1.00 0.00 C ATOM 239 CE LYS A 20 -13.686 -4.135 -3.295 1.00 0.00 C ATOM 240 NZ LYS A 20 -13.785 -5.476 -3.937 1.00 0.00 N ATOM 0 H LYS A 20 -16.828 0.911 -2.170 1.00 0.00 H new ATOM 0 HA LYS A 20 -14.011 -0.068 -1.876 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -16.412 -1.418 -3.104 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -14.873 -1.596 -3.924 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -13.887 -2.234 -1.594 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -15.547 -2.376 -1.051 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -15.172 -4.572 -1.786 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -15.832 -3.871 -3.250 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -13.491 -3.373 -4.049 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -12.848 -4.115 -2.598 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -12.898 -5.687 -4.438 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -13.952 -6.199 -3.208 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -14.574 -5.479 -4.614 1.00 0.00 H new ATOM 254 N LEU A 21 -13.706 0.520 -4.520 1.00 0.00 N ATOM 255 CA LEU A 21 -13.382 1.351 -5.716 1.00 0.00 C ATOM 256 C LEU A 21 -14.614 1.466 -6.615 1.00 0.00 C ATOM 257 O LEU A 21 -15.158 0.479 -7.069 1.00 0.00 O ATOM 258 CB LEU A 21 -12.243 0.697 -6.502 1.00 0.00 C ATOM 259 CG LEU A 21 -10.903 1.258 -6.025 1.00 0.00 C ATOM 260 CD1 LEU A 21 -9.851 0.152 -6.038 1.00 0.00 C ATOM 261 CD2 LEU A 21 -10.463 2.393 -6.951 1.00 0.00 C ATOM 0 H LEU A 21 -13.157 -0.334 -4.424 1.00 0.00 H new ATOM 0 HA LEU A 21 -13.077 2.345 -5.388 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -12.266 -0.384 -6.364 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -12.369 0.885 -7.568 1.00 0.00 H new ATOM 0 HG LEU A 21 -11.013 1.641 -5.010 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -8.897 0.554 -5.698 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -10.163 -0.654 -5.374 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -9.742 -0.234 -7.051 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -9.508 2.792 -6.609 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -10.355 2.013 -7.967 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -11.212 3.185 -6.938 1.00 0.00 H new ATOM 273 N ARG A 22 -15.057 2.665 -6.874 1.00 0.00 N ATOM 274 CA ARG A 22 -16.253 2.843 -7.745 1.00 0.00 C ATOM 275 C ARG A 22 -15.842 2.758 -9.221 1.00 0.00 C ATOM 276 O ARG A 22 -16.398 1.978 -9.968 1.00 0.00 O ATOM 277 CB ARG A 22 -16.889 4.207 -7.467 1.00 0.00 C ATOM 278 CG ARG A 22 -18.381 4.027 -7.183 1.00 0.00 C ATOM 279 CD ARG A 22 -19.193 4.577 -8.356 1.00 0.00 C ATOM 280 NE ARG A 22 -20.607 4.125 -8.233 1.00 0.00 N ATOM 281 CZ ARG A 22 -21.578 4.991 -8.320 1.00 0.00 C ATOM 282 NH1 ARG A 22 -21.969 5.640 -7.256 1.00 0.00 N ATOM 283 NH2 ARG A 22 -22.157 5.211 -9.468 1.00 0.00 N ATOM 0 H ARG A 22 -14.644 3.528 -6.521 1.00 0.00 H new ATOM 0 HA ARG A 22 -16.974 2.054 -7.530 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -16.401 4.681 -6.615 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -16.748 4.867 -8.323 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -18.609 2.972 -7.032 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -18.652 4.546 -6.264 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -19.147 5.666 -8.366 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -18.770 4.232 -9.299 1.00 0.00 H new ATOM 0 HE ARG A 22 -20.816 3.138 -8.081 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -21.515 5.469 -6.359 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -22.728 6.318 -7.322 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -21.850 4.705 -10.299 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -22.916 5.889 -9.535 1.00 0.00 H new ATOM 297 N PRO A 23 -14.882 3.567 -9.601 1.00 0.00 N ATOM 298 CA PRO A 23 -14.382 3.605 -10.987 1.00 0.00 C ATOM 299 C PRO A 23 -13.420 2.440 -11.245 1.00 0.00 C ATOM 300 O PRO A 23 -13.333 1.509 -10.468 1.00 0.00 O ATOM 301 CB PRO A 23 -13.647 4.943 -11.068 1.00 0.00 C ATOM 302 CG PRO A 23 -13.275 5.325 -9.615 1.00 0.00 C ATOM 303 CD PRO A 23 -14.205 4.514 -8.691 1.00 0.00 C ATOM 0 HA PRO A 23 -15.175 3.513 -11.729 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -12.755 4.859 -11.688 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -14.279 5.707 -11.521 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -12.229 5.095 -9.410 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -13.404 6.395 -9.451 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -13.642 3.991 -7.919 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -14.921 5.158 -8.182 1.00 0.00 H new ATOM 311 N GLY A 24 -12.696 2.488 -12.330 1.00 0.00 N ATOM 312 CA GLY A 24 -11.738 1.389 -12.641 1.00 0.00 C ATOM 313 C GLY A 24 -10.368 1.724 -12.048 1.00 0.00 C ATOM 314 O GLY A 24 -9.345 1.288 -12.536 1.00 0.00 O ATOM 0 H GLY A 24 -12.727 3.242 -13.016 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -12.103 0.447 -12.231 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -11.657 1.257 -13.720 1.00 0.00 H new ATOM 318 N ALA A 25 -10.342 2.499 -10.999 1.00 0.00 N ATOM 319 CA ALA A 25 -9.043 2.868 -10.369 1.00 0.00 C ATOM 320 C ALA A 25 -8.474 1.659 -9.619 1.00 0.00 C ATOM 321 O ALA A 25 -9.205 0.822 -9.131 1.00 0.00 O ATOM 322 CB ALA A 25 -9.273 4.022 -9.392 1.00 0.00 C ATOM 0 H ALA A 25 -11.168 2.894 -10.549 1.00 0.00 H new ATOM 0 HA ALA A 25 -8.334 3.175 -11.138 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -8.327 4.298 -8.926 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -9.677 4.880 -9.930 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -9.979 3.712 -8.622 1.00 0.00 H new ATOM 328 N GLN A 26 -7.172 1.556 -9.525 1.00 0.00 N ATOM 329 CA GLN A 26 -6.570 0.399 -8.810 1.00 0.00 C ATOM 330 C GLN A 26 -6.757 0.572 -7.305 1.00 0.00 C ATOM 331 O GLN A 26 -7.025 -0.372 -6.589 1.00 0.00 O ATOM 332 CB GLN A 26 -5.073 0.338 -9.123 1.00 0.00 C ATOM 333 CG GLN A 26 -4.859 0.318 -10.638 1.00 0.00 C ATOM 334 CD GLN A 26 -5.803 -0.702 -11.279 1.00 0.00 C ATOM 335 OE1 GLN A 26 -6.391 -0.439 -12.310 1.00 0.00 O ATOM 336 NE2 GLN A 26 -5.975 -1.863 -10.708 1.00 0.00 N ATOM 0 H GLN A 26 -6.505 2.223 -9.913 1.00 0.00 H new ATOM 0 HA GLN A 26 -7.057 -0.521 -9.135 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -4.566 1.198 -8.687 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -4.634 -0.553 -8.673 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -5.042 1.309 -11.054 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -3.824 0.063 -10.865 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -5.482 -2.084 -9.843 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -6.603 -2.549 -11.127 1.00 0.00 H new ATOM 345 N CYS A 27 -6.608 1.769 -6.819 1.00 0.00 N ATOM 346 CA CYS A 27 -6.764 2.001 -5.360 1.00 0.00 C ATOM 347 C CYS A 27 -7.366 3.390 -5.135 1.00 0.00 C ATOM 348 O CYS A 27 -6.779 4.397 -5.478 1.00 0.00 O ATOM 349 CB CYS A 27 -5.383 1.887 -4.692 1.00 0.00 C ATOM 350 SG CYS A 27 -5.331 2.830 -3.144 1.00 0.00 S ATOM 0 H CYS A 27 -6.385 2.598 -7.370 1.00 0.00 H new ATOM 0 HA CYS A 27 -7.431 1.259 -4.921 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -5.157 0.840 -4.492 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -4.615 2.255 -5.372 1.00 0.00 H new ATOM 355 N GLY A 28 -8.533 3.449 -4.555 1.00 0.00 N ATOM 356 CA GLY A 28 -9.169 4.768 -4.303 1.00 0.00 C ATOM 357 C GLY A 28 -8.401 5.491 -3.195 1.00 0.00 C ATOM 358 O GLY A 28 -8.265 6.698 -3.205 1.00 0.00 O ATOM 0 H GLY A 28 -9.072 2.640 -4.246 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -9.167 5.367 -5.214 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -10.211 4.634 -4.012 1.00 0.00 H new ATOM 362 N GLU A 29 -7.897 4.760 -2.239 1.00 0.00 N ATOM 363 CA GLU A 29 -7.136 5.402 -1.131 1.00 0.00 C ATOM 364 C GLU A 29 -6.027 4.458 -0.655 1.00 0.00 C ATOM 365 O GLU A 29 -6.197 3.256 -0.612 1.00 0.00 O ATOM 366 CB GLU A 29 -8.087 5.704 0.028 1.00 0.00 C ATOM 367 CG GLU A 29 -7.317 6.404 1.147 1.00 0.00 C ATOM 368 CD GLU A 29 -6.940 5.383 2.223 1.00 0.00 C ATOM 369 OE1 GLU A 29 -7.834 4.924 2.915 1.00 0.00 O ATOM 370 OE2 GLU A 29 -5.765 5.077 2.336 1.00 0.00 O ATOM 0 H GLU A 29 -7.980 3.745 -2.178 1.00 0.00 H new ATOM 0 HA GLU A 29 -6.689 6.331 -1.486 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -8.907 6.336 -0.315 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -8.530 4.780 0.399 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -6.419 6.874 0.746 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -7.926 7.197 1.581 1.00 0.00 H new ATOM 377 N GLY A 30 -4.894 4.995 -0.290 1.00 0.00 N ATOM 378 CA GLY A 30 -3.770 4.134 0.181 1.00 0.00 C ATOM 379 C GLY A 30 -2.465 4.937 0.134 1.00 0.00 C ATOM 380 O GLY A 30 -2.369 5.942 -0.541 1.00 0.00 O ATOM 0 H GLY A 30 -4.698 5.996 -0.298 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -3.962 3.789 1.197 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -3.688 3.247 -0.447 1.00 0.00 H new ATOM 384 N LEU A 31 -1.462 4.511 0.858 1.00 0.00 N ATOM 385 CA LEU A 31 -0.174 5.263 0.862 1.00 0.00 C ATOM 386 C LEU A 31 0.562 5.044 -0.460 1.00 0.00 C ATOM 387 O LEU A 31 1.322 5.882 -0.902 1.00 0.00 O ATOM 388 CB LEU A 31 0.697 4.770 2.019 1.00 0.00 C ATOM 389 CG LEU A 31 1.068 5.952 2.916 1.00 0.00 C ATOM 390 CD1 LEU A 31 -0.207 6.637 3.412 1.00 0.00 C ATOM 391 CD2 LEU A 31 1.872 5.449 4.116 1.00 0.00 C ATOM 0 H LEU A 31 -1.480 3.677 1.445 1.00 0.00 H new ATOM 0 HA LEU A 31 -0.379 6.327 0.984 1.00 0.00 H new ATOM 0 HB2 LEU A 31 0.162 4.016 2.596 1.00 0.00 H new ATOM 0 HB3 LEU A 31 1.599 4.295 1.633 1.00 0.00 H new ATOM 0 HG LEU A 31 1.667 6.664 2.348 1.00 0.00 H new ATOM 0 HD11 LEU A 31 0.058 7.479 4.051 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -0.783 6.996 2.559 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -0.805 5.925 3.980 1.00 0.00 H new ATOM 0 HD21 LEU A 31 2.137 6.291 4.755 1.00 0.00 H new ATOM 0 HD22 LEU A 31 1.272 4.737 4.683 1.00 0.00 H new ATOM 0 HD23 LEU A 31 2.781 4.960 3.766 1.00 0.00 H new ATOM 403 N CYS A 32 0.348 3.925 -1.093 1.00 0.00 N ATOM 404 CA CYS A 32 1.044 3.659 -2.385 1.00 0.00 C ATOM 405 C CYS A 32 0.037 3.778 -3.530 1.00 0.00 C ATOM 406 O CYS A 32 0.035 2.988 -4.453 1.00 0.00 O ATOM 407 CB CYS A 32 1.653 2.248 -2.386 1.00 0.00 C ATOM 408 SG CYS A 32 1.872 1.647 -0.689 1.00 0.00 S ATOM 0 H CYS A 32 -0.277 3.184 -0.774 1.00 0.00 H new ATOM 0 HA CYS A 32 1.845 4.387 -2.514 1.00 0.00 H new ATOM 0 HB2 CYS A 32 1.006 1.567 -2.938 1.00 0.00 H new ATOM 0 HB3 CYS A 32 2.614 2.261 -2.900 1.00 0.00 H new ATOM 413 N CYS A 33 -0.822 4.759 -3.475 1.00 0.00 N ATOM 414 CA CYS A 33 -1.832 4.930 -4.557 1.00 0.00 C ATOM 415 C CYS A 33 -1.631 6.288 -5.235 1.00 0.00 C ATOM 416 O CYS A 33 -1.977 7.319 -4.695 1.00 0.00 O ATOM 417 CB CYS A 33 -3.238 4.864 -3.956 1.00 0.00 C ATOM 418 SG CYS A 33 -3.392 3.369 -2.950 1.00 0.00 S ATOM 0 H CYS A 33 -0.868 5.450 -2.726 1.00 0.00 H new ATOM 0 HA CYS A 33 -1.713 4.136 -5.294 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -3.426 5.747 -3.346 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -3.985 4.860 -4.750 1.00 0.00 H new ATOM 423 N GLU A 34 -1.076 6.295 -6.415 1.00 0.00 N ATOM 424 CA GLU A 34 -0.855 7.584 -7.126 1.00 0.00 C ATOM 425 C GLU A 34 -1.890 7.726 -8.244 1.00 0.00 C ATOM 426 O GLU A 34 -1.938 6.934 -9.163 1.00 0.00 O ATOM 427 CB GLU A 34 0.554 7.606 -7.725 1.00 0.00 C ATOM 428 CG GLU A 34 0.851 6.257 -8.383 1.00 0.00 C ATOM 429 CD GLU A 34 2.089 6.383 -9.272 1.00 0.00 C ATOM 430 OE1 GLU A 34 3.183 6.235 -8.754 1.00 0.00 O ATOM 431 OE2 GLU A 34 1.922 6.627 -10.456 1.00 0.00 O ATOM 0 H GLU A 34 -0.766 5.463 -6.917 1.00 0.00 H new ATOM 0 HA GLU A 34 -0.959 8.411 -6.424 1.00 0.00 H new ATOM 0 HB2 GLU A 34 0.636 8.407 -8.460 1.00 0.00 H new ATOM 0 HB3 GLU A 34 1.288 7.812 -6.946 1.00 0.00 H new ATOM 0 HG2 GLU A 34 1.015 5.496 -7.620 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -0.004 5.934 -8.976 1.00 0.00 H new ATOM 438 N GLN A 35 -2.723 8.727 -8.169 1.00 0.00 N ATOM 439 CA GLN A 35 -3.758 8.914 -9.223 1.00 0.00 C ATOM 440 C GLN A 35 -4.758 7.758 -9.162 1.00 0.00 C ATOM 441 O GLN A 35 -5.243 7.287 -10.171 1.00 0.00 O ATOM 442 CB GLN A 35 -3.088 8.942 -10.598 1.00 0.00 C ATOM 443 CG GLN A 35 -3.252 10.332 -11.217 1.00 0.00 C ATOM 444 CD GLN A 35 -1.889 11.026 -11.281 1.00 0.00 C ATOM 445 OE1 GLN A 35 -1.363 11.449 -10.272 1.00 0.00 O ATOM 446 NE2 GLN A 35 -1.293 11.161 -12.434 1.00 0.00 N ATOM 0 H GLN A 35 -2.731 9.423 -7.423 1.00 0.00 H new ATOM 0 HA GLN A 35 -4.281 9.856 -9.058 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -2.030 8.697 -10.504 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -3.534 8.188 -11.247 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -3.677 10.249 -12.217 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -3.947 10.926 -10.624 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -1.735 10.805 -13.281 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -0.385 11.622 -12.488 1.00 0.00 H new ATOM 455 N CYS A 36 -5.067 7.295 -7.982 1.00 0.00 N ATOM 456 CA CYS A 36 -6.033 6.170 -7.849 1.00 0.00 C ATOM 457 C CYS A 36 -5.484 4.930 -8.553 1.00 0.00 C ATOM 458 O CYS A 36 -6.226 4.117 -9.069 1.00 0.00 O ATOM 459 CB CYS A 36 -7.363 6.553 -8.489 1.00 0.00 C ATOM 460 SG CYS A 36 -8.361 7.493 -7.315 1.00 0.00 S ATOM 0 H CYS A 36 -4.691 7.649 -7.102 1.00 0.00 H new ATOM 0 HA CYS A 36 -6.181 5.957 -6.790 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -7.187 7.146 -9.387 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -7.899 5.656 -8.799 1.00 0.00 H new ATOM 465 N LYS A 37 -4.194 4.775 -8.574 1.00 0.00 N ATOM 466 CA LYS A 37 -3.592 3.590 -9.236 1.00 0.00 C ATOM 467 C LYS A 37 -2.561 2.977 -8.293 1.00 0.00 C ATOM 468 O LYS A 37 -2.189 3.570 -7.301 1.00 0.00 O ATOM 469 CB LYS A 37 -2.906 4.019 -10.535 1.00 0.00 C ATOM 470 CG LYS A 37 -3.854 4.900 -11.352 1.00 0.00 C ATOM 471 CD LYS A 37 -3.956 4.354 -12.778 1.00 0.00 C ATOM 472 CE LYS A 37 -4.533 5.432 -13.699 1.00 0.00 C ATOM 473 NZ LYS A 37 -4.943 4.812 -14.992 1.00 0.00 N ATOM 0 H LYS A 37 -3.525 5.423 -8.158 1.00 0.00 H new ATOM 0 HA LYS A 37 -4.367 2.860 -9.468 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -1.990 4.565 -10.311 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -2.620 3.141 -11.114 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -4.840 4.920 -10.888 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -3.489 5.927 -11.370 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -2.972 4.047 -13.132 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -4.591 3.468 -12.795 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -5.390 5.910 -13.225 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -3.791 6.210 -13.876 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -5.335 5.543 -15.619 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -4.115 4.375 -15.445 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -5.665 4.085 -14.815 1.00 0.00 H new ATOM 487 N PHE A 38 -2.089 1.801 -8.588 1.00 0.00 N ATOM 488 CA PHE A 38 -1.076 1.172 -7.697 1.00 0.00 C ATOM 489 C PHE A 38 0.286 1.798 -7.969 1.00 0.00 C ATOM 490 O PHE A 38 0.830 1.674 -9.049 1.00 0.00 O ATOM 491 CB PHE A 38 -0.998 -0.328 -7.977 1.00 0.00 C ATOM 492 CG PHE A 38 -2.031 -1.056 -7.153 1.00 0.00 C ATOM 493 CD1 PHE A 38 -3.201 -0.399 -6.753 1.00 0.00 C ATOM 494 CD2 PHE A 38 -1.817 -2.390 -6.785 1.00 0.00 C ATOM 495 CE1 PHE A 38 -4.155 -1.076 -5.986 1.00 0.00 C ATOM 496 CE2 PHE A 38 -2.772 -3.067 -6.018 1.00 0.00 C ATOM 497 CZ PHE A 38 -3.941 -2.410 -5.618 1.00 0.00 C ATOM 0 H PHE A 38 -2.358 1.249 -9.403 1.00 0.00 H new ATOM 0 HA PHE A 38 -1.362 1.332 -6.658 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -1.165 -0.519 -9.037 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -0.002 -0.700 -7.739 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -3.367 0.630 -7.036 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -0.914 -2.897 -7.093 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -5.057 -0.569 -5.677 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -2.607 -4.096 -5.735 1.00 0.00 H new ATOM 0 HZ PHE A 38 -4.678 -2.932 -5.026 1.00 0.00 H new ATOM 507 N SER A 39 0.855 2.458 -7.002 1.00 0.00 N ATOM 508 CA SER A 39 2.190 3.069 -7.228 1.00 0.00 C ATOM 509 C SER A 39 3.165 1.951 -7.586 1.00 0.00 C ATOM 510 O SER A 39 2.767 0.827 -7.819 1.00 0.00 O ATOM 511 CB SER A 39 2.659 3.770 -5.953 1.00 0.00 C ATOM 512 OG SER A 39 2.689 2.832 -4.887 1.00 0.00 O ATOM 0 H SER A 39 0.458 2.600 -6.073 1.00 0.00 H new ATOM 0 HA SER A 39 2.140 3.803 -8.033 1.00 0.00 H new ATOM 0 HB2 SER A 39 3.650 4.199 -6.103 1.00 0.00 H new ATOM 0 HB3 SER A 39 1.988 4.594 -5.709 1.00 0.00 H new ATOM 0 HG SER A 39 1.784 2.491 -4.725 1.00 0.00 H new ATOM 518 N ARG A 40 4.431 2.236 -7.641 1.00 0.00 N ATOM 519 CA ARG A 40 5.401 1.167 -7.992 1.00 0.00 C ATOM 520 C ARG A 40 6.115 0.690 -6.724 1.00 0.00 C ATOM 521 O ARG A 40 6.004 1.290 -5.673 1.00 0.00 O ATOM 522 CB ARG A 40 6.430 1.718 -8.982 1.00 0.00 C ATOM 523 CG ARG A 40 6.197 1.099 -10.361 1.00 0.00 C ATOM 524 CD ARG A 40 7.523 1.035 -11.121 1.00 0.00 C ATOM 525 NE ARG A 40 7.840 -0.384 -11.443 1.00 0.00 N ATOM 526 CZ ARG A 40 7.773 -0.802 -12.677 1.00 0.00 C ATOM 527 NH1 ARG A 40 6.610 -0.994 -13.238 1.00 0.00 N ATOM 528 NH2 ARG A 40 8.868 -1.028 -13.351 1.00 0.00 N ATOM 0 H ARG A 40 4.835 3.155 -7.460 1.00 0.00 H new ATOM 0 HA ARG A 40 4.872 0.330 -8.447 1.00 0.00 H new ATOM 0 HB2 ARG A 40 6.348 2.803 -9.041 1.00 0.00 H new ATOM 0 HB3 ARG A 40 7.439 1.493 -8.637 1.00 0.00 H new ATOM 0 HG2 ARG A 40 5.777 0.099 -10.256 1.00 0.00 H new ATOM 0 HG3 ARG A 40 5.473 1.692 -10.920 1.00 0.00 H new ATOM 0 HD2 ARG A 40 7.458 1.622 -12.037 1.00 0.00 H new ATOM 0 HD3 ARG A 40 8.321 1.470 -10.519 1.00 0.00 H new ATOM 0 HE ARG A 40 8.109 -1.028 -10.700 1.00 0.00 H new ATOM 0 HH11 ARG A 40 5.754 -0.817 -12.712 1.00 0.00 H new ATOM 0 HH12 ARG A 40 6.557 -1.321 -14.203 1.00 0.00 H new ATOM 0 HH21 ARG A 40 9.777 -0.878 -12.913 1.00 0.00 H new ATOM 0 HH22 ARG A 40 8.815 -1.355 -14.316 1.00 0.00 H new ATOM 542 N ALA A 41 6.846 -0.386 -6.814 1.00 0.00 N ATOM 543 CA ALA A 41 7.568 -0.906 -5.620 1.00 0.00 C ATOM 544 C ALA A 41 8.713 0.039 -5.277 1.00 0.00 C ATOM 545 O ALA A 41 9.025 0.946 -6.023 1.00 0.00 O ATOM 546 CB ALA A 41 8.121 -2.299 -5.926 1.00 0.00 C ATOM 0 H ALA A 41 6.975 -0.930 -7.667 1.00 0.00 H new ATOM 0 HA ALA A 41 6.884 -0.970 -4.774 1.00 0.00 H new ATOM 0 HB1 ALA A 41 8.650 -2.681 -5.053 1.00 0.00 H new ATOM 0 HB2 ALA A 41 7.299 -2.970 -6.174 1.00 0.00 H new ATOM 0 HB3 ALA A 41 8.809 -2.240 -6.769 1.00 0.00 H new ATOM 552 N GLY A 42 9.335 -0.150 -4.148 1.00 0.00 N ATOM 553 CA GLY A 42 10.444 0.760 -3.766 1.00 0.00 C ATOM 554 C GLY A 42 9.838 2.125 -3.447 1.00 0.00 C ATOM 555 O GLY A 42 10.506 3.139 -3.478 1.00 0.00 O ATOM 0 H GLY A 42 9.124 -0.890 -3.479 1.00 0.00 H new ATOM 0 HA2 GLY A 42 10.979 0.368 -2.901 1.00 0.00 H new ATOM 0 HA3 GLY A 42 11.167 0.843 -4.578 1.00 0.00 H new ATOM 559 N LYS A 43 8.564 2.154 -3.157 1.00 0.00 N ATOM 560 CA LYS A 43 7.897 3.452 -2.854 1.00 0.00 C ATOM 561 C LYS A 43 7.899 3.682 -1.336 1.00 0.00 C ATOM 562 O LYS A 43 7.363 2.904 -0.573 1.00 0.00 O ATOM 563 CB LYS A 43 6.466 3.417 -3.430 1.00 0.00 C ATOM 564 CG LYS A 43 5.470 4.159 -2.527 1.00 0.00 C ATOM 565 CD LYS A 43 4.488 4.950 -3.393 1.00 0.00 C ATOM 566 CE LYS A 43 5.074 6.329 -3.697 1.00 0.00 C ATOM 567 NZ LYS A 43 5.549 6.957 -2.431 1.00 0.00 N ATOM 0 H LYS A 43 7.958 1.335 -3.117 1.00 0.00 H new ATOM 0 HA LYS A 43 8.432 4.283 -3.314 1.00 0.00 H new ATOM 0 HB2 LYS A 43 6.462 3.868 -4.422 1.00 0.00 H new ATOM 0 HB3 LYS A 43 6.147 2.381 -3.549 1.00 0.00 H new ATOM 0 HG2 LYS A 43 4.929 3.448 -1.902 1.00 0.00 H new ATOM 0 HG3 LYS A 43 6.003 4.832 -1.856 1.00 0.00 H new ATOM 0 HD2 LYS A 43 4.292 4.414 -4.321 1.00 0.00 H new ATOM 0 HD3 LYS A 43 3.534 5.054 -2.877 1.00 0.00 H new ATOM 0 HE2 LYS A 43 5.900 6.238 -4.402 1.00 0.00 H new ATOM 0 HE3 LYS A 43 4.321 6.960 -4.168 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 5.467 7.991 -2.505 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 4.968 6.619 -1.637 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 6.543 6.699 -2.267 1.00 0.00 H new ATOM 581 N ILE A 44 8.510 4.753 -0.905 1.00 0.00 N ATOM 582 CA ILE A 44 8.573 5.061 0.553 1.00 0.00 C ATOM 583 C ILE A 44 7.165 5.306 1.098 1.00 0.00 C ATOM 584 O ILE A 44 6.434 6.150 0.621 1.00 0.00 O ATOM 585 CB ILE A 44 9.462 6.303 0.758 1.00 0.00 C ATOM 586 CG1 ILE A 44 10.889 5.841 1.040 1.00 0.00 C ATOM 587 CG2 ILE A 44 8.969 7.145 1.943 1.00 0.00 C ATOM 588 CD1 ILE A 44 10.895 4.977 2.302 1.00 0.00 C ATOM 0 H ILE A 44 8.973 5.434 -1.507 1.00 0.00 H new ATOM 0 HA ILE A 44 9.001 4.218 1.095 1.00 0.00 H new ATOM 0 HB ILE A 44 9.422 6.915 -0.143 1.00 0.00 H new ATOM 0 HG12 ILE A 44 11.275 5.273 0.193 1.00 0.00 H new ATOM 0 HG13 ILE A 44 11.544 6.702 1.171 1.00 0.00 H new ATOM 0 HG21 ILE A 44 9.614 8.015 2.065 1.00 0.00 H new ATOM 0 HG22 ILE A 44 7.947 7.475 1.755 1.00 0.00 H new ATOM 0 HG23 ILE A 44 8.995 6.544 2.852 1.00 0.00 H new ATOM 0 HD11 ILE A 44 11.912 4.643 2.510 1.00 0.00 H new ATOM 0 HD12 ILE A 44 10.526 5.561 3.145 1.00 0.00 H new ATOM 0 HD13 ILE A 44 10.252 4.110 2.152 1.00 0.00 H new ATOM 600 N CYS A 45 6.797 4.578 2.114 1.00 0.00 N ATOM 601 CA CYS A 45 5.456 4.767 2.724 1.00 0.00 C ATOM 602 C CYS A 45 5.639 5.278 4.150 1.00 0.00 C ATOM 603 O CYS A 45 4.754 5.877 4.728 1.00 0.00 O ATOM 604 CB CYS A 45 4.699 3.438 2.746 1.00 0.00 C ATOM 605 SG CYS A 45 5.841 2.092 3.140 1.00 0.00 S ATOM 0 H CYS A 45 7.372 3.857 2.549 1.00 0.00 H new ATOM 0 HA CYS A 45 4.882 5.486 2.139 1.00 0.00 H new ATOM 0 HB2 CYS A 45 3.899 3.477 3.485 1.00 0.00 H new ATOM 0 HB3 CYS A 45 4.231 3.259 1.778 1.00 0.00 H new ATOM 610 N ARG A 46 6.794 5.052 4.719 1.00 0.00 N ATOM 611 CA ARG A 46 7.047 5.530 6.103 1.00 0.00 C ATOM 612 C ARG A 46 8.555 5.595 6.356 1.00 0.00 C ATOM 613 O ARG A 46 9.335 4.943 5.692 1.00 0.00 O ATOM 614 CB ARG A 46 6.398 4.573 7.107 1.00 0.00 C ATOM 615 CG ARG A 46 5.819 5.373 8.275 1.00 0.00 C ATOM 616 CD ARG A 46 5.569 4.438 9.461 1.00 0.00 C ATOM 617 NE ARG A 46 4.178 4.631 9.960 1.00 0.00 N ATOM 618 CZ ARG A 46 3.408 3.597 10.163 1.00 0.00 C ATOM 619 NH1 ARG A 46 2.697 3.110 9.183 1.00 0.00 N ATOM 620 NH2 ARG A 46 3.349 3.050 11.346 1.00 0.00 N ATOM 0 H ARG A 46 7.571 4.557 4.282 1.00 0.00 H new ATOM 0 HA ARG A 46 6.617 6.524 6.224 1.00 0.00 H new ATOM 0 HB2 ARG A 46 5.610 3.998 6.620 1.00 0.00 H new ATOM 0 HB3 ARG A 46 7.135 3.858 7.472 1.00 0.00 H new ATOM 0 HG2 ARG A 46 6.508 6.167 8.563 1.00 0.00 H new ATOM 0 HG3 ARG A 46 4.888 5.853 7.974 1.00 0.00 H new ATOM 0 HD2 ARG A 46 5.718 3.401 9.159 1.00 0.00 H new ATOM 0 HD3 ARG A 46 6.284 4.644 10.257 1.00 0.00 H new ATOM 0 HE ARG A 46 3.828 5.571 10.143 1.00 0.00 H new ATOM 0 HH11 ARG A 46 2.743 3.537 8.258 1.00 0.00 H new ATOM 0 HH12 ARG A 46 2.095 2.302 9.342 1.00 0.00 H new ATOM 0 HH21 ARG A 46 3.905 3.431 12.112 1.00 0.00 H new ATOM 0 HH22 ARG A 46 2.747 2.242 11.505 1.00 0.00 H new ATOM 634 N ILE A 47 8.970 6.382 7.312 1.00 0.00 N ATOM 635 CA ILE A 47 10.426 6.496 7.608 1.00 0.00 C ATOM 636 C ILE A 47 10.840 5.399 8.592 1.00 0.00 C ATOM 637 O ILE A 47 10.081 5.008 9.457 1.00 0.00 O ATOM 638 CB ILE A 47 10.711 7.868 8.223 1.00 0.00 C ATOM 639 CG1 ILE A 47 12.203 7.985 8.546 1.00 0.00 C ATOM 640 CG2 ILE A 47 9.899 8.030 9.509 1.00 0.00 C ATOM 641 CD1 ILE A 47 12.955 8.483 7.310 1.00 0.00 C ATOM 0 H ILE A 47 8.362 6.951 7.901 1.00 0.00 H new ATOM 0 HA ILE A 47 10.994 6.383 6.685 1.00 0.00 H new ATOM 0 HB ILE A 47 10.430 8.647 7.514 1.00 0.00 H new ATOM 0 HG12 ILE A 47 12.353 8.673 9.378 1.00 0.00 H new ATOM 0 HG13 ILE A 47 12.595 7.017 8.858 1.00 0.00 H new ATOM 0 HG21 ILE A 47 10.102 9.007 9.947 1.00 0.00 H new ATOM 0 HG22 ILE A 47 8.836 7.948 9.281 1.00 0.00 H new ATOM 0 HG23 ILE A 47 10.179 7.250 10.217 1.00 0.00 H new ATOM 0 HD11 ILE A 47 14.017 8.566 7.540 1.00 0.00 H new ATOM 0 HD12 ILE A 47 12.815 7.778 6.490 1.00 0.00 H new ATOM 0 HD13 ILE A 47 12.569 9.460 7.018 1.00 0.00 H new ATOM 653 N ALA A 48 12.040 4.901 8.467 1.00 0.00 N ATOM 654 CA ALA A 48 12.507 3.830 9.394 1.00 0.00 C ATOM 655 C ALA A 48 12.514 4.361 10.829 1.00 0.00 C ATOM 656 O ALA A 48 12.155 5.493 11.085 1.00 0.00 O ATOM 657 CB ALA A 48 13.922 3.398 9.004 1.00 0.00 C ATOM 0 H ALA A 48 12.718 5.190 7.762 1.00 0.00 H new ATOM 0 HA ALA A 48 11.834 2.975 9.327 1.00 0.00 H new ATOM 0 HB1 ALA A 48 14.263 2.615 9.682 1.00 0.00 H new ATOM 0 HB2 ALA A 48 13.918 3.017 7.983 1.00 0.00 H new ATOM 0 HB3 ALA A 48 14.595 4.253 9.070 1.00 0.00 H new ATOM 663 N ARG A 49 12.920 3.550 11.768 1.00 0.00 N ATOM 664 CA ARG A 49 12.951 4.006 13.187 1.00 0.00 C ATOM 665 C ARG A 49 13.876 3.092 13.994 1.00 0.00 C ATOM 666 O ARG A 49 13.430 2.201 14.687 1.00 0.00 O ATOM 667 CB ARG A 49 11.536 3.946 13.771 1.00 0.00 C ATOM 668 CG ARG A 49 11.307 5.147 14.691 1.00 0.00 C ATOM 669 CD ARG A 49 10.633 4.682 15.985 1.00 0.00 C ATOM 670 NE ARG A 49 11.335 5.281 17.155 1.00 0.00 N ATOM 671 CZ ARG A 49 10.652 5.666 18.199 1.00 0.00 C ATOM 672 NH1 ARG A 49 9.860 6.699 18.115 1.00 0.00 N ATOM 673 NH2 ARG A 49 10.762 5.018 19.327 1.00 0.00 N ATOM 0 H ARG A 49 13.232 2.591 11.614 1.00 0.00 H new ATOM 0 HA ARG A 49 13.321 5.030 13.234 1.00 0.00 H new ATOM 0 HB2 ARG A 49 10.800 3.946 12.967 1.00 0.00 H new ATOM 0 HB3 ARG A 49 11.401 3.018 14.327 1.00 0.00 H new ATOM 0 HG2 ARG A 49 12.257 5.631 14.918 1.00 0.00 H new ATOM 0 HG3 ARG A 49 10.684 5.888 14.190 1.00 0.00 H new ATOM 0 HD2 ARG A 49 9.584 4.977 15.987 1.00 0.00 H new ATOM 0 HD3 ARG A 49 10.658 3.594 16.050 1.00 0.00 H new ATOM 0 HE ARG A 49 12.349 5.390 17.140 1.00 0.00 H new ATOM 0 HH11 ARG A 49 9.774 7.206 17.234 1.00 0.00 H new ATOM 0 HH12 ARG A 49 9.326 7.000 18.930 1.00 0.00 H new ATOM 0 HH21 ARG A 49 11.382 4.211 19.393 1.00 0.00 H new ATOM 0 HH22 ARG A 49 10.228 5.319 20.142 1.00 0.00 H new ATOM 687 N GLY A 50 15.160 3.306 13.911 1.00 0.00 N ATOM 688 CA GLY A 50 16.107 2.446 14.676 1.00 0.00 C ATOM 689 C GLY A 50 17.382 2.233 13.862 1.00 0.00 C ATOM 690 O GLY A 50 18.480 2.298 14.380 1.00 0.00 O ATOM 0 H GLY A 50 15.594 4.037 13.348 1.00 0.00 H new ATOM 0 HA2 GLY A 50 16.348 2.913 15.631 1.00 0.00 H new ATOM 0 HA3 GLY A 50 15.642 1.486 14.899 1.00 0.00 H new ATOM 694 N ASP A 51 17.247 1.981 12.595 1.00 0.00 N ATOM 695 CA ASP A 51 18.456 1.766 11.749 1.00 0.00 C ATOM 696 C ASP A 51 18.061 1.137 10.414 1.00 0.00 C ATOM 697 O ASP A 51 18.445 1.600 9.359 1.00 0.00 O ATOM 698 CB ASP A 51 19.427 0.836 12.479 1.00 0.00 C ATOM 699 CG ASP A 51 20.718 1.591 12.797 1.00 0.00 C ATOM 700 OD1 ASP A 51 21.368 2.033 11.865 1.00 0.00 O ATOM 701 OD2 ASP A 51 21.035 1.714 13.969 1.00 0.00 O ATOM 0 H ASP A 51 16.355 1.914 12.105 1.00 0.00 H new ATOM 0 HA ASP A 51 18.934 2.728 11.562 1.00 0.00 H new ATOM 0 HB2 ASP A 51 18.972 0.469 13.399 1.00 0.00 H new ATOM 0 HB3 ASP A 51 19.646 -0.035 11.862 1.00 0.00 H new ATOM 706 N TRP A 52 17.306 0.082 10.456 1.00 0.00 N ATOM 707 CA TRP A 52 16.891 -0.590 9.191 1.00 0.00 C ATOM 708 C TRP A 52 16.451 0.461 8.169 1.00 0.00 C ATOM 709 O TRP A 52 15.934 1.503 8.517 1.00 0.00 O ATOM 710 CB TRP A 52 15.731 -1.549 9.470 1.00 0.00 C ATOM 711 CG TRP A 52 14.778 -0.923 10.436 1.00 0.00 C ATOM 712 CD1 TRP A 52 13.742 -0.121 10.097 1.00 0.00 C ATOM 713 CD2 TRP A 52 14.749 -1.035 11.889 1.00 0.00 C ATOM 714 NE1 TRP A 52 13.080 0.266 11.248 1.00 0.00 N ATOM 715 CE2 TRP A 52 13.663 -0.272 12.378 1.00 0.00 C ATOM 716 CE3 TRP A 52 15.552 -1.720 12.819 1.00 0.00 C ATOM 717 CZ2 TRP A 52 13.384 -0.191 13.743 1.00 0.00 C ATOM 718 CZ3 TRP A 52 15.274 -1.640 14.194 1.00 0.00 C ATOM 719 CH2 TRP A 52 14.192 -0.876 14.654 1.00 0.00 C ATOM 0 H TRP A 52 16.955 -0.349 11.311 1.00 0.00 H new ATOM 0 HA TRP A 52 17.735 -1.152 8.792 1.00 0.00 H new ATOM 0 HB2 TRP A 52 15.215 -1.790 8.541 1.00 0.00 H new ATOM 0 HB3 TRP A 52 16.112 -2.486 9.876 1.00 0.00 H new ATOM 0 HD1 TRP A 52 13.476 0.169 9.091 1.00 0.00 H new ATOM 0 HE1 TRP A 52 12.261 0.874 11.261 1.00 0.00 H new ATOM 0 HE3 TRP A 52 16.387 -2.311 12.474 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 12.549 0.397 14.093 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 15.897 -2.169 14.900 1.00 0.00 H new ATOM 0 HH2 TRP A 52 13.983 -0.817 15.712 1.00 0.00 H new ATOM 730 N ASN A 53 16.655 0.192 6.907 1.00 0.00 N ATOM 731 CA ASN A 53 16.251 1.171 5.858 1.00 0.00 C ATOM 732 C ASN A 53 14.796 1.590 6.080 1.00 0.00 C ATOM 733 O ASN A 53 14.161 1.183 7.031 1.00 0.00 O ATOM 734 CB ASN A 53 16.392 0.523 4.479 1.00 0.00 C ATOM 735 CG ASN A 53 16.848 1.574 3.466 1.00 0.00 C ATOM 736 OD1 ASN A 53 17.908 2.151 3.607 1.00 0.00 O ATOM 737 ND2 ASN A 53 16.088 1.850 2.442 1.00 0.00 N ATOM 0 H ASN A 53 17.085 -0.665 6.558 1.00 0.00 H new ATOM 0 HA ASN A 53 16.892 2.051 5.915 1.00 0.00 H new ATOM 0 HB2 ASN A 53 17.113 -0.294 4.521 1.00 0.00 H new ATOM 0 HB3 ASN A 53 15.440 0.092 4.169 1.00 0.00 H new ATOM 0 HD21 ASN A 53 16.384 2.549 1.761 1.00 0.00 H new ATOM 0 HD22 ASN A 53 15.198 1.366 2.322 1.00 0.00 H new ATOM 744 N ASP A 54 14.264 2.403 5.207 1.00 0.00 N ATOM 745 CA ASP A 54 12.852 2.851 5.367 1.00 0.00 C ATOM 746 C ASP A 54 11.909 1.818 4.743 1.00 0.00 C ATOM 747 O ASP A 54 12.339 0.840 4.167 1.00 0.00 O ATOM 748 CB ASP A 54 12.664 4.200 4.669 1.00 0.00 C ATOM 749 CG ASP A 54 13.692 5.200 5.203 1.00 0.00 C ATOM 750 OD1 ASP A 54 14.604 4.770 5.890 1.00 0.00 O ATOM 751 OD2 ASP A 54 13.550 6.377 4.916 1.00 0.00 O ATOM 0 H ASP A 54 14.747 2.776 4.390 1.00 0.00 H new ATOM 0 HA ASP A 54 12.624 2.953 6.428 1.00 0.00 H new ATOM 0 HB2 ASP A 54 12.781 4.083 3.592 1.00 0.00 H new ATOM 0 HB3 ASP A 54 11.655 4.573 4.842 1.00 0.00 H new ATOM 756 N ASP A 55 10.625 2.030 4.856 1.00 0.00 N ATOM 757 CA ASP A 55 9.653 1.063 4.271 1.00 0.00 C ATOM 758 C ASP A 55 9.437 1.385 2.791 1.00 0.00 C ATOM 759 O ASP A 55 9.510 2.524 2.375 1.00 0.00 O ATOM 760 CB ASP A 55 8.320 1.165 5.018 1.00 0.00 C ATOM 761 CG ASP A 55 8.455 0.508 6.392 1.00 0.00 C ATOM 762 OD1 ASP A 55 9.430 -0.198 6.597 1.00 0.00 O ATOM 763 OD2 ASP A 55 7.583 0.722 7.218 1.00 0.00 O ATOM 0 H ASP A 55 10.208 2.832 5.329 1.00 0.00 H new ATOM 0 HA ASP A 55 10.046 0.051 4.366 1.00 0.00 H new ATOM 0 HB2 ASP A 55 8.032 2.210 5.129 1.00 0.00 H new ATOM 0 HB3 ASP A 55 7.532 0.677 4.445 1.00 0.00 H new ATOM 768 N ARG A 56 9.176 0.386 1.989 1.00 0.00 N ATOM 769 CA ARG A 56 8.961 0.631 0.534 1.00 0.00 C ATOM 770 C ARG A 56 7.737 -0.149 0.055 1.00 0.00 C ATOM 771 O ARG A 56 7.658 -1.352 0.206 1.00 0.00 O ATOM 772 CB ARG A 56 10.195 0.170 -0.241 1.00 0.00 C ATOM 773 CG ARG A 56 11.443 0.845 0.334 1.00 0.00 C ATOM 774 CD ARG A 56 11.735 2.130 -0.444 1.00 0.00 C ATOM 775 NE ARG A 56 12.924 2.807 0.146 1.00 0.00 N ATOM 776 CZ ARG A 56 13.405 3.888 -0.407 1.00 0.00 C ATOM 777 NH1 ARG A 56 12.883 4.349 -1.512 1.00 0.00 N ATOM 778 NH2 ARG A 56 14.411 4.509 0.146 1.00 0.00 N ATOM 0 H ARG A 56 9.103 -0.589 2.280 1.00 0.00 H new ATOM 0 HA ARG A 56 8.797 1.695 0.365 1.00 0.00 H new ATOM 0 HB2 ARG A 56 10.293 -0.914 -0.177 1.00 0.00 H new ATOM 0 HB3 ARG A 56 10.088 0.419 -1.297 1.00 0.00 H new ATOM 0 HG2 ARG A 56 11.292 1.073 1.389 1.00 0.00 H new ATOM 0 HG3 ARG A 56 12.296 0.169 0.273 1.00 0.00 H new ATOM 0 HD2 ARG A 56 11.918 1.899 -1.493 1.00 0.00 H new ATOM 0 HD3 ARG A 56 10.871 2.793 -0.409 1.00 0.00 H new ATOM 0 HE ARG A 56 13.363 2.425 0.984 1.00 0.00 H new ATOM 0 HH11 ARG A 56 12.097 3.864 -1.946 1.00 0.00 H new ATOM 0 HH12 ARG A 56 13.261 5.194 -1.941 1.00 0.00 H new ATOM 0 HH21 ARG A 56 14.820 4.150 1.009 1.00 0.00 H new ATOM 0 HH22 ARG A 56 14.788 5.353 -0.284 1.00 0.00 H new ATOM 792 N CYS A 57 6.783 0.527 -0.524 1.00 0.00 N ATOM 793 CA CYS A 57 5.570 -0.179 -1.016 1.00 0.00 C ATOM 794 C CYS A 57 5.984 -1.224 -2.047 1.00 0.00 C ATOM 795 O CYS A 57 6.994 -1.081 -2.711 1.00 0.00 O ATOM 796 CB CYS A 57 4.614 0.825 -1.656 1.00 0.00 C ATOM 797 SG CYS A 57 3.854 1.833 -0.357 1.00 0.00 S ATOM 0 H CYS A 57 6.792 1.535 -0.677 1.00 0.00 H new ATOM 0 HA CYS A 57 5.067 -0.667 -0.181 1.00 0.00 H new ATOM 0 HB2 CYS A 57 5.152 1.461 -2.359 1.00 0.00 H new ATOM 0 HB3 CYS A 57 3.845 0.302 -2.224 1.00 0.00 H new ATOM 802 N THR A 58 5.219 -2.277 -2.170 1.00 0.00 N ATOM 803 CA THR A 58 5.566 -3.355 -3.141 1.00 0.00 C ATOM 804 C THR A 58 5.283 -2.905 -4.575 1.00 0.00 C ATOM 805 O THR A 58 5.728 -3.522 -5.523 1.00 0.00 O ATOM 806 CB THR A 58 4.742 -4.607 -2.828 1.00 0.00 C ATOM 807 OG1 THR A 58 4.831 -5.515 -3.917 1.00 0.00 O ATOM 808 CG2 THR A 58 3.279 -4.223 -2.601 1.00 0.00 C ATOM 0 H THR A 58 4.364 -2.437 -1.636 1.00 0.00 H new ATOM 0 HA THR A 58 6.629 -3.577 -3.049 1.00 0.00 H new ATOM 0 HB THR A 58 5.132 -5.078 -1.926 1.00 0.00 H new ATOM 0 HG1 THR A 58 4.305 -6.318 -3.717 1.00 0.00 H new ATOM 0 HG21 THR A 58 2.698 -5.118 -2.379 1.00 0.00 H new ATOM 0 HG22 THR A 58 3.211 -3.529 -1.763 1.00 0.00 H new ATOM 0 HG23 THR A 58 2.884 -3.748 -3.499 1.00 0.00 H new ATOM 816 N GLY A 59 4.540 -1.849 -4.752 1.00 0.00 N ATOM 817 CA GLY A 59 4.232 -1.391 -6.137 1.00 0.00 C ATOM 818 C GLY A 59 2.984 -2.123 -6.633 1.00 0.00 C ATOM 819 O GLY A 59 2.351 -1.722 -7.590 1.00 0.00 O ATOM 0 H GLY A 59 4.135 -1.286 -4.004 1.00 0.00 H new ATOM 0 HA2 GLY A 59 4.068 -0.314 -6.150 1.00 0.00 H new ATOM 0 HA3 GLY A 59 5.075 -1.593 -6.797 1.00 0.00 H new ATOM 823 N GLN A 60 2.622 -3.189 -5.974 1.00 0.00 N ATOM 824 CA GLN A 60 1.417 -3.954 -6.374 1.00 0.00 C ATOM 825 C GLN A 60 0.420 -3.917 -5.217 1.00 0.00 C ATOM 826 O GLN A 60 -0.636 -4.511 -5.277 1.00 0.00 O ATOM 827 CB GLN A 60 1.805 -5.406 -6.668 1.00 0.00 C ATOM 828 CG GLN A 60 2.861 -5.441 -7.774 1.00 0.00 C ATOM 829 CD GLN A 60 2.169 -5.505 -9.136 1.00 0.00 C ATOM 830 OE1 GLN A 60 2.162 -6.535 -9.780 1.00 0.00 O ATOM 831 NE2 GLN A 60 1.579 -4.440 -9.604 1.00 0.00 N ATOM 0 H GLN A 60 3.119 -3.564 -5.166 1.00 0.00 H new ATOM 0 HA GLN A 60 0.974 -3.517 -7.269 1.00 0.00 H new ATOM 0 HB2 GLN A 60 2.193 -5.879 -5.766 1.00 0.00 H new ATOM 0 HB3 GLN A 60 0.926 -5.973 -6.973 1.00 0.00 H new ATOM 0 HG2 GLN A 60 3.493 -4.555 -7.716 1.00 0.00 H new ATOM 0 HG3 GLN A 60 3.512 -6.306 -7.643 1.00 0.00 H new ATOM 0 HE21 GLN A 60 1.585 -3.575 -9.064 1.00 0.00 H new ATOM 0 HE22 GLN A 60 1.112 -4.472 -10.510 1.00 0.00 H new ATOM 840 N SER A 61 0.753 -3.225 -4.159 1.00 0.00 N ATOM 841 CA SER A 61 -0.177 -3.151 -2.997 1.00 0.00 C ATOM 842 C SER A 61 -0.429 -1.685 -2.640 1.00 0.00 C ATOM 843 O SER A 61 0.479 -0.959 -2.287 1.00 0.00 O ATOM 844 CB SER A 61 0.444 -3.863 -1.796 1.00 0.00 C ATOM 845 OG SER A 61 -0.473 -3.837 -0.711 1.00 0.00 O ATOM 0 H SER A 61 1.627 -2.710 -4.051 1.00 0.00 H new ATOM 0 HA SER A 61 -1.119 -3.633 -3.258 1.00 0.00 H new ATOM 0 HB2 SER A 61 0.689 -4.893 -2.056 1.00 0.00 H new ATOM 0 HB3 SER A 61 1.376 -3.375 -1.511 1.00 0.00 H new ATOM 0 HG SER A 61 -0.207 -3.141 -0.074 1.00 0.00 H new ATOM 851 N ALA A 62 -1.654 -1.244 -2.724 1.00 0.00 N ATOM 852 CA ALA A 62 -1.954 0.174 -2.383 1.00 0.00 C ATOM 853 C ALA A 62 -1.516 0.446 -0.945 1.00 0.00 C ATOM 854 O ALA A 62 -0.891 1.448 -0.655 1.00 0.00 O ATOM 855 CB ALA A 62 -3.456 0.430 -2.513 1.00 0.00 C ATOM 0 H ALA A 62 -2.457 -1.802 -3.013 1.00 0.00 H new ATOM 0 HA ALA A 62 -1.417 0.834 -3.065 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -3.671 1.469 -2.263 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -3.772 0.231 -3.537 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -3.997 -0.227 -1.832 1.00 0.00 H new ATOM 861 N ASP A 63 -1.833 -0.440 -0.040 1.00 0.00 N ATOM 862 CA ASP A 63 -1.427 -0.230 1.376 1.00 0.00 C ATOM 863 C ASP A 63 0.035 -0.625 1.538 1.00 0.00 C ATOM 864 O ASP A 63 0.448 -1.692 1.129 1.00 0.00 O ATOM 865 CB ASP A 63 -2.288 -1.096 2.295 1.00 0.00 C ATOM 866 CG ASP A 63 -1.691 -1.096 3.704 1.00 0.00 C ATOM 867 OD1 ASP A 63 -0.795 -1.888 3.946 1.00 0.00 O ATOM 868 OD2 ASP A 63 -2.140 -0.304 4.516 1.00 0.00 O ATOM 0 H ASP A 63 -2.354 -1.298 -0.221 1.00 0.00 H new ATOM 0 HA ASP A 63 -1.561 0.819 1.641 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -3.309 -0.714 2.321 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -2.339 -2.115 1.910 1.00 0.00 H new ATOM 873 N CYS A 64 0.827 0.225 2.125 1.00 0.00 N ATOM 874 CA CYS A 64 2.261 -0.116 2.297 1.00 0.00 C ATOM 875 C CYS A 64 2.384 -1.383 3.141 1.00 0.00 C ATOM 876 O CYS A 64 1.764 -1.504 4.178 1.00 0.00 O ATOM 877 CB CYS A 64 2.993 1.050 2.969 1.00 0.00 C ATOM 878 SG CYS A 64 4.642 0.506 3.492 1.00 0.00 S ATOM 0 H CYS A 64 0.545 1.135 2.490 1.00 0.00 H new ATOM 0 HA CYS A 64 2.715 -0.296 1.323 1.00 0.00 H new ATOM 0 HB2 CYS A 64 3.077 1.888 2.277 1.00 0.00 H new ATOM 0 HB3 CYS A 64 2.425 1.403 3.830 1.00 0.00 H new ATOM 883 N PRO A 65 3.181 -2.298 2.650 1.00 0.00 N ATOM 884 CA PRO A 65 3.412 -3.585 3.314 1.00 0.00 C ATOM 885 C PRO A 65 4.403 -3.429 4.472 1.00 0.00 C ATOM 886 O PRO A 65 4.717 -2.333 4.890 1.00 0.00 O ATOM 887 CB PRO A 65 4.009 -4.448 2.201 1.00 0.00 C ATOM 888 CG PRO A 65 4.603 -3.485 1.154 1.00 0.00 C ATOM 889 CD PRO A 65 3.930 -2.129 1.384 1.00 0.00 C ATOM 0 HA PRO A 65 2.509 -4.011 3.750 1.00 0.00 H new ATOM 0 HB2 PRO A 65 4.779 -5.110 2.597 1.00 0.00 H new ATOM 0 HB3 PRO A 65 3.244 -5.082 1.752 1.00 0.00 H new ATOM 0 HG2 PRO A 65 5.684 -3.406 1.268 1.00 0.00 H new ATOM 0 HG3 PRO A 65 4.414 -3.846 0.143 1.00 0.00 H new ATOM 0 HD2 PRO A 65 4.666 -1.329 1.462 1.00 0.00 H new ATOM 0 HD3 PRO A 65 3.264 -1.871 0.560 1.00 0.00 H new ATOM 897 N ARG A 66 4.898 -4.521 4.991 1.00 0.00 N ATOM 898 CA ARG A 66 5.869 -4.438 6.119 1.00 0.00 C ATOM 899 C ARG A 66 7.278 -4.729 5.599 1.00 0.00 C ATOM 900 O ARG A 66 7.597 -5.842 5.231 1.00 0.00 O ATOM 901 CB ARG A 66 5.498 -5.470 7.187 1.00 0.00 C ATOM 902 CG ARG A 66 5.507 -6.868 6.568 1.00 0.00 C ATOM 903 CD ARG A 66 6.675 -7.674 7.140 1.00 0.00 C ATOM 904 NE ARG A 66 6.579 -9.085 6.673 1.00 0.00 N ATOM 905 CZ ARG A 66 7.044 -10.051 7.416 1.00 0.00 C ATOM 906 NH1 ARG A 66 8.236 -9.957 7.935 1.00 0.00 N ATOM 907 NH2 ARG A 66 6.317 -11.112 7.639 1.00 0.00 N ATOM 0 H ARG A 66 4.672 -5.466 4.682 1.00 0.00 H new ATOM 0 HA ARG A 66 5.839 -3.438 6.552 1.00 0.00 H new ATOM 0 HB2 ARG A 66 6.205 -5.423 8.015 1.00 0.00 H new ATOM 0 HB3 ARG A 66 4.512 -5.248 7.596 1.00 0.00 H new ATOM 0 HG2 ARG A 66 4.565 -7.375 6.777 1.00 0.00 H new ATOM 0 HG3 ARG A 66 5.597 -6.796 5.484 1.00 0.00 H new ATOM 0 HD2 ARG A 66 7.622 -7.238 6.822 1.00 0.00 H new ATOM 0 HD3 ARG A 66 6.657 -7.638 8.229 1.00 0.00 H new ATOM 0 HE ARG A 66 6.150 -9.296 5.772 1.00 0.00 H new ATOM 0 HH11 ARG A 66 8.805 -9.128 7.760 1.00 0.00 H new ATOM 0 HH12 ARG A 66 8.600 -10.712 8.516 1.00 0.00 H new ATOM 0 HH21 ARG A 66 5.385 -11.186 7.232 1.00 0.00 H new ATOM 0 HH22 ARG A 66 6.681 -11.867 8.220 1.00 0.00 H new ATOM 921 N ASN A 67 8.124 -3.736 5.562 1.00 0.00 N ATOM 922 CA ASN A 67 9.510 -3.957 5.063 1.00 0.00 C ATOM 923 C ASN A 67 10.434 -4.285 6.237 1.00 0.00 C ATOM 924 O ASN A 67 11.367 -5.054 6.108 1.00 0.00 O ATOM 925 CB ASN A 67 10.006 -2.692 4.362 1.00 0.00 C ATOM 926 CG ASN A 67 10.157 -2.963 2.864 1.00 0.00 C ATOM 927 OD1 ASN A 67 11.254 -2.954 2.341 1.00 0.00 O ATOM 928 ND2 ASN A 67 9.095 -3.206 2.147 1.00 0.00 N ATOM 0 H ASN A 67 7.915 -2.782 5.856 1.00 0.00 H new ATOM 0 HA ASN A 67 9.512 -4.789 4.359 1.00 0.00 H new ATOM 0 HB2 ASN A 67 9.304 -1.874 4.525 1.00 0.00 H new ATOM 0 HB3 ASN A 67 10.962 -2.381 4.784 1.00 0.00 H new ATOM 0 HD21 ASN A 67 9.185 -3.388 1.148 1.00 0.00 H new ATOM 0 HD22 ASN A 67 8.174 -3.214 2.586 1.00 0.00 H new ATOM 935 N GLY A 68 10.184 -3.708 7.380 1.00 0.00 N ATOM 936 CA GLY A 68 11.052 -3.987 8.559 1.00 0.00 C ATOM 937 C GLY A 68 10.689 -5.351 9.151 1.00 0.00 C ATOM 938 O GLY A 68 10.571 -6.334 8.445 1.00 0.00 O ATOM 0 H GLY A 68 9.418 -3.056 7.549 1.00 0.00 H new ATOM 0 HA2 GLY A 68 12.101 -3.975 8.262 1.00 0.00 H new ATOM 0 HA3 GLY A 68 10.924 -3.207 9.310 1.00 0.00 H new ATOM 942 N LEU A 69 10.509 -5.419 10.442 1.00 0.00 N ATOM 943 CA LEU A 69 10.151 -6.720 11.076 1.00 0.00 C ATOM 944 C LEU A 69 8.874 -6.554 11.905 1.00 0.00 C ATOM 945 O LEU A 69 8.389 -7.492 12.506 1.00 0.00 O ATOM 946 CB LEU A 69 11.292 -7.230 11.979 1.00 0.00 C ATOM 947 CG LEU A 69 12.207 -6.087 12.449 1.00 0.00 C ATOM 948 CD1 LEU A 69 12.980 -5.508 11.261 1.00 0.00 C ATOM 949 CD2 LEU A 69 11.379 -4.986 13.118 1.00 0.00 C ATOM 0 H LEU A 69 10.594 -4.631 11.084 1.00 0.00 H new ATOM 0 HA LEU A 69 9.986 -7.452 10.286 1.00 0.00 H new ATOM 0 HB2 LEU A 69 10.869 -7.737 12.847 1.00 0.00 H new ATOM 0 HB3 LEU A 69 11.883 -7.968 11.436 1.00 0.00 H new ATOM 0 HG LEU A 69 12.917 -6.485 13.174 1.00 0.00 H new ATOM 0 HD11 LEU A 69 13.625 -4.699 11.606 1.00 0.00 H new ATOM 0 HD12 LEU A 69 13.589 -6.290 10.808 1.00 0.00 H new ATOM 0 HD13 LEU A 69 12.277 -5.122 10.523 1.00 0.00 H new ATOM 0 HD21 LEU A 69 12.039 -4.183 13.446 1.00 0.00 H new ATOM 0 HD22 LEU A 69 10.654 -4.592 12.405 1.00 0.00 H new ATOM 0 HD23 LEU A 69 10.854 -5.398 13.979 1.00 0.00 H new ATOM 961 N TYR A 70 8.326 -5.371 11.942 1.00 0.00 N ATOM 962 CA TYR A 70 7.081 -5.152 12.732 1.00 0.00 C ATOM 963 C TYR A 70 5.979 -4.628 11.808 1.00 0.00 C ATOM 964 O TYR A 70 6.242 -4.144 10.726 1.00 0.00 O ATOM 965 CB TYR A 70 7.350 -4.127 13.837 1.00 0.00 C ATOM 966 CG TYR A 70 8.232 -3.026 13.300 1.00 0.00 C ATOM 967 CD1 TYR A 70 7.753 -2.165 12.306 1.00 0.00 C ATOM 968 CD2 TYR A 70 9.531 -2.866 13.796 1.00 0.00 C ATOM 969 CE1 TYR A 70 8.572 -1.143 11.810 1.00 0.00 C ATOM 970 CE2 TYR A 70 10.351 -1.845 13.301 1.00 0.00 C ATOM 971 CZ TYR A 70 9.871 -0.983 12.307 1.00 0.00 C ATOM 972 OH TYR A 70 10.678 0.023 11.817 1.00 0.00 O ATOM 0 H TYR A 70 8.686 -4.547 11.460 1.00 0.00 H new ATOM 0 HA TYR A 70 6.764 -6.094 13.180 1.00 0.00 H new ATOM 0 HB2 TYR A 70 6.410 -3.710 14.198 1.00 0.00 H new ATOM 0 HB3 TYR A 70 7.831 -4.611 14.687 1.00 0.00 H new ATOM 0 HD1 TYR A 70 6.751 -2.289 11.921 1.00 0.00 H new ATOM 0 HD2 TYR A 70 9.901 -3.531 14.562 1.00 0.00 H new ATOM 0 HE1 TYR A 70 8.201 -0.478 11.044 1.00 0.00 H new ATOM 0 HE2 TYR A 70 11.353 -1.722 13.685 1.00 0.00 H new ATOM 0 HH TYR A 70 11.601 -0.301 11.751 1.00 0.00 H new ATOM 982 N GLY A 71 4.747 -4.723 12.225 1.00 0.00 N ATOM 983 CA GLY A 71 3.632 -4.231 11.367 1.00 0.00 C ATOM 984 C GLY A 71 2.454 -3.814 12.249 1.00 0.00 C ATOM 985 O GLY A 71 2.353 -2.636 12.549 1.00 0.00 O ATOM 986 OXT GLY A 71 1.673 -4.678 12.608 1.00 0.00 O ATOM 0 H GLY A 71 4.464 -5.119 13.121 1.00 0.00 H new ATOM 0 HA2 GLY A 71 3.967 -3.385 10.766 1.00 0.00 H new ATOM 0 HA3 GLY A 71 3.322 -5.012 10.673 1.00 0.00 H new TER 990 GLY A 71