USER MOD reduce.3.24.130724 H: found=0, std=0, add=260, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 261 hydrogens (2 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 GLU N :NH3+ 146:sc= 0.0114 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ -139:sc= 0 (180deg=-0.00292) USER MOD Single : A 10 ASN : amide:sc=-0.00965 K(o=-0.0097,f=-3.6!) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 13 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 15 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 ASN : amide:sc= -0.484 K(o=-0.48,f=-2.7!) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 HIS : no HD1:sc=-0.00707 X(o=-0.0071,f=-0.32) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 10.311 7.566 5.677 1.00 0.00 N ATOM 2 CA GLU A 1 9.161 6.979 6.431 1.00 0.00 C ATOM 3 C GLU A 1 8.161 6.334 5.462 1.00 0.00 C ATOM 4 O GLU A 1 7.929 6.831 4.375 1.00 0.00 O ATOM 5 CB GLU A 1 8.517 8.159 7.167 1.00 0.00 C ATOM 6 CG GLU A 1 9.016 8.191 8.616 1.00 0.00 C ATOM 7 CD GLU A 1 9.646 9.554 8.913 1.00 0.00 C ATOM 8 OE1 GLU A 1 10.828 9.710 8.650 1.00 0.00 O ATOM 9 OE2 GLU A 1 8.937 10.419 9.402 1.00 0.00 O ATOM 0 H1 GLU A 1 10.642 8.424 6.162 1.00 0.00 H new ATOM 0 H2 GLU A 1 11.086 6.874 5.631 1.00 0.00 H new ATOM 0 H3 GLU A 1 10.006 7.809 4.713 1.00 0.00 H new ATOM 0 HA GLU A 1 9.480 6.198 7.121 1.00 0.00 H new ATOM 0 HB2 GLU A 1 8.765 9.094 6.665 1.00 0.00 H new ATOM 0 HB3 GLU A 1 7.431 8.065 7.147 1.00 0.00 H new ATOM 0 HG2 GLU A 1 8.188 8.005 9.300 1.00 0.00 H new ATOM 0 HG3 GLU A 1 9.747 7.399 8.777 1.00 0.00 H new ATOM 18 N CYS A 2 7.573 5.226 5.848 1.00 0.00 N ATOM 19 CA CYS A 2 6.591 4.538 4.951 1.00 0.00 C ATOM 20 C CYS A 2 5.446 3.920 5.769 1.00 0.00 C ATOM 21 O CYS A 2 5.479 3.901 6.985 1.00 0.00 O ATOM 22 CB CYS A 2 7.400 3.447 4.244 1.00 0.00 C ATOM 23 SG CYS A 2 7.978 2.229 5.456 1.00 0.00 S ATOM 0 H CYS A 2 7.731 4.769 6.746 1.00 0.00 H new ATOM 0 HA CYS A 2 6.128 5.228 4.246 1.00 0.00 H new ATOM 0 HB2 CYS A 2 6.786 2.958 3.488 1.00 0.00 H new ATOM 0 HB3 CYS A 2 8.251 3.890 3.726 1.00 0.00 H new ATOM 28 N LEU A 3 4.433 3.413 5.104 1.00 0.00 N ATOM 29 CA LEU A 3 3.282 2.794 5.835 1.00 0.00 C ATOM 30 C LEU A 3 3.457 1.272 5.917 1.00 0.00 C ATOM 31 O LEU A 3 3.965 0.646 5.005 1.00 0.00 O ATOM 32 CB LEU A 3 2.039 3.143 5.007 1.00 0.00 C ATOM 33 CG LEU A 3 1.721 4.637 5.144 1.00 0.00 C ATOM 34 CD1 LEU A 3 0.561 4.999 4.213 1.00 0.00 C ATOM 35 CD2 LEU A 3 1.327 4.953 6.590 1.00 0.00 C ATOM 0 H LEU A 3 4.355 3.402 4.087 1.00 0.00 H new ATOM 0 HA LEU A 3 3.206 3.163 6.858 1.00 0.00 H new ATOM 0 HB2 LEU A 3 2.208 2.893 3.960 1.00 0.00 H new ATOM 0 HB3 LEU A 3 1.189 2.549 5.344 1.00 0.00 H new ATOM 0 HG LEU A 3 2.603 5.218 4.875 1.00 0.00 H new ATOM 0 HD11 LEU A 3 0.334 6.061 4.310 1.00 0.00 H new ATOM 0 HD12 LEU A 3 0.840 4.780 3.182 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -0.318 4.414 4.483 1.00 0.00 H new ATOM 0 HD21 LEU A 3 1.102 6.016 6.682 1.00 0.00 H new ATOM 0 HD22 LEU A 3 0.447 4.371 6.863 1.00 0.00 H new ATOM 0 HD23 LEU A 3 2.151 4.698 7.256 1.00 0.00 H new ATOM 47 N GLY A 4 3.036 0.675 7.007 1.00 0.00 N ATOM 48 CA GLY A 4 3.172 -0.806 7.164 1.00 0.00 C ATOM 49 C GLY A 4 2.091 -1.525 6.346 1.00 0.00 C ATOM 50 O GLY A 4 1.542 -0.977 5.408 1.00 0.00 O ATOM 0 H GLY A 4 2.603 1.153 7.797 1.00 0.00 H new ATOM 0 HA2 GLY A 4 4.161 -1.125 6.834 1.00 0.00 H new ATOM 0 HA3 GLY A 4 3.084 -1.078 8.216 1.00 0.00 H new ATOM 54 N PHE A 5 1.786 -2.751 6.695 1.00 0.00 N ATOM 55 CA PHE A 5 0.743 -3.515 5.941 1.00 0.00 C ATOM 56 C PHE A 5 -0.652 -3.208 6.500 1.00 0.00 C ATOM 57 O PHE A 5 -0.835 -3.063 7.695 1.00 0.00 O ATOM 58 CB PHE A 5 1.102 -4.992 6.146 1.00 0.00 C ATOM 59 CG PHE A 5 -0.014 -5.874 5.626 1.00 0.00 C ATOM 60 CD1 PHE A 5 -0.272 -5.945 4.250 1.00 0.00 C ATOM 61 CD2 PHE A 5 -0.790 -6.620 6.522 1.00 0.00 C ATOM 62 CE1 PHE A 5 -1.305 -6.760 3.773 1.00 0.00 C ATOM 63 CE2 PHE A 5 -1.822 -7.435 6.044 1.00 0.00 C ATOM 64 CZ PHE A 5 -2.080 -7.505 4.670 1.00 0.00 C ATOM 0 H PHE A 5 2.215 -3.256 7.470 1.00 0.00 H new ATOM 0 HA PHE A 5 0.720 -3.249 4.884 1.00 0.00 H new ATOM 0 HB2 PHE A 5 2.032 -5.224 5.627 1.00 0.00 H new ATOM 0 HB3 PHE A 5 1.270 -5.190 7.205 1.00 0.00 H new ATOM 0 HD1 PHE A 5 0.326 -5.371 3.558 1.00 0.00 H new ATOM 0 HD2 PHE A 5 -0.592 -6.566 7.582 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -1.504 -6.814 2.713 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -2.420 -8.010 6.735 1.00 0.00 H new ATOM 0 HZ PHE A 5 -2.877 -8.134 4.302 1.00 0.00 H new ATOM 74 N GLY A 6 -1.634 -3.112 5.638 1.00 0.00 N ATOM 75 CA GLY A 6 -3.024 -2.818 6.097 1.00 0.00 C ATOM 76 C GLY A 6 -3.103 -1.379 6.615 1.00 0.00 C ATOM 77 O GLY A 6 -3.682 -1.118 7.652 1.00 0.00 O ATOM 0 H GLY A 6 -1.530 -3.226 4.630 1.00 0.00 H new ATOM 0 HA2 GLY A 6 -3.726 -2.958 5.275 1.00 0.00 H new ATOM 0 HA3 GLY A 6 -3.312 -3.515 6.884 1.00 0.00 H new ATOM 81 N LYS A 7 -2.524 -0.448 5.899 1.00 0.00 N ATOM 82 CA LYS A 7 -2.557 0.979 6.343 1.00 0.00 C ATOM 83 C LYS A 7 -3.238 1.844 5.277 1.00 0.00 C ATOM 84 O LYS A 7 -2.848 1.840 4.125 1.00 0.00 O ATOM 85 CB LYS A 7 -1.088 1.376 6.511 1.00 0.00 C ATOM 86 CG LYS A 7 -0.483 0.617 7.697 1.00 0.00 C ATOM 87 CD LYS A 7 -0.242 1.581 8.863 1.00 0.00 C ATOM 88 CE LYS A 7 -0.804 0.978 10.156 1.00 0.00 C ATOM 89 NZ LYS A 7 0.212 -0.020 10.601 1.00 0.00 N ATOM 0 H LYS A 7 -2.028 -0.615 5.023 1.00 0.00 H new ATOM 0 HA LYS A 7 -3.119 1.116 7.267 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -0.533 1.150 5.600 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -1.008 2.451 6.675 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -1.154 -0.184 8.008 1.00 0.00 H new ATOM 0 HG3 LYS A 7 0.456 0.149 7.400 1.00 0.00 H new ATOM 0 HD2 LYS A 7 0.825 1.773 8.974 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -0.719 2.540 8.660 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -0.958 1.746 10.913 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -1.770 0.504 9.981 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -0.269 -0.874 10.949 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 0.826 -0.271 9.800 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 0.788 0.388 11.365 1.00 0.00 H new ATOM 103 N GLY A 8 -4.256 2.579 5.658 1.00 0.00 N ATOM 104 CA GLY A 8 -4.981 3.446 4.679 1.00 0.00 C ATOM 105 C GLY A 8 -4.000 4.406 3.998 1.00 0.00 C ATOM 106 O GLY A 8 -3.339 5.195 4.647 1.00 0.00 O ATOM 0 H GLY A 8 -4.617 2.615 6.611 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -5.475 2.827 3.930 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -5.760 4.012 5.190 1.00 0.00 H new ATOM 110 N CYS A 9 -3.904 4.341 2.693 1.00 0.00 N ATOM 111 CA CYS A 9 -2.969 5.246 1.954 1.00 0.00 C ATOM 112 C CYS A 9 -3.627 5.770 0.671 1.00 0.00 C ATOM 113 O CYS A 9 -4.772 5.473 0.381 1.00 0.00 O ATOM 114 CB CYS A 9 -1.746 4.381 1.618 1.00 0.00 C ATOM 115 SG CYS A 9 -2.275 2.819 0.865 1.00 0.00 S ATOM 0 H CYS A 9 -4.435 3.698 2.105 1.00 0.00 H new ATOM 0 HA CYS A 9 -2.697 6.119 2.547 1.00 0.00 H new ATOM 0 HB2 CYS A 9 -1.088 4.918 0.935 1.00 0.00 H new ATOM 0 HB3 CYS A 9 -1.172 4.181 2.523 1.00 0.00 H new ATOM 120 N ASN A 10 -2.905 6.545 -0.100 1.00 0.00 N ATOM 121 CA ASN A 10 -3.472 7.092 -1.370 1.00 0.00 C ATOM 122 C ASN A 10 -3.156 6.147 -2.538 1.00 0.00 C ATOM 123 O ASN A 10 -2.032 5.711 -2.689 1.00 0.00 O ATOM 124 CB ASN A 10 -2.771 8.440 -1.566 1.00 0.00 C ATOM 125 CG ASN A 10 -3.676 9.380 -2.366 1.00 0.00 C ATOM 126 OD1 ASN A 10 -3.771 9.270 -3.572 1.00 0.00 O ATOM 127 ND2 ASN A 10 -4.349 10.308 -1.741 1.00 0.00 N ATOM 0 H ASN A 10 -1.944 6.823 0.097 1.00 0.00 H new ATOM 0 HA ASN A 10 -4.556 7.198 -1.330 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -2.535 8.883 -0.598 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -1.826 8.297 -2.089 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -4.954 10.940 -2.265 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -4.270 10.401 -0.728 1.00 0.00 H new ATOM 134 N PRO A 11 -4.162 5.859 -3.331 1.00 0.00 N ATOM 135 CA PRO A 11 -3.977 4.954 -4.499 1.00 0.00 C ATOM 136 C PRO A 11 -3.149 5.637 -5.602 1.00 0.00 C ATOM 137 O PRO A 11 -2.509 4.977 -6.399 1.00 0.00 O ATOM 138 CB PRO A 11 -5.403 4.684 -4.973 1.00 0.00 C ATOM 139 CG PRO A 11 -6.199 5.856 -4.494 1.00 0.00 C ATOM 140 CD PRO A 11 -5.548 6.338 -3.224 1.00 0.00 C ATOM 0 HA PRO A 11 -3.435 4.043 -4.246 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -5.448 4.594 -6.058 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -5.786 3.751 -4.560 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -6.213 6.646 -5.245 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -7.235 5.571 -4.312 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -5.590 7.424 -3.141 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -6.044 5.932 -2.342 1.00 0.00 H new ATOM 148 N SER A 12 -3.156 6.949 -5.652 1.00 0.00 N ATOM 149 CA SER A 12 -2.370 7.669 -6.703 1.00 0.00 C ATOM 150 C SER A 12 -0.951 7.968 -6.202 1.00 0.00 C ATOM 151 O SER A 12 0.015 7.806 -6.924 1.00 0.00 O ATOM 152 CB SER A 12 -3.133 8.972 -6.950 1.00 0.00 C ATOM 153 OG SER A 12 -4.353 8.684 -7.622 1.00 0.00 O ATOM 0 H SER A 12 -3.672 7.551 -5.010 1.00 0.00 H new ATOM 0 HA SER A 12 -2.266 7.076 -7.612 1.00 0.00 H new ATOM 0 HB2 SER A 12 -3.336 9.473 -6.003 1.00 0.00 H new ATOM 0 HB3 SER A 12 -2.528 9.653 -7.548 1.00 0.00 H new ATOM 0 HG SER A 12 -4.844 9.517 -7.780 1.00 0.00 H new ATOM 159 N ASN A 13 -0.819 8.405 -4.973 1.00 0.00 N ATOM 160 CA ASN A 13 0.538 8.719 -4.424 1.00 0.00 C ATOM 161 C ASN A 13 1.229 7.441 -3.935 1.00 0.00 C ATOM 162 O ASN A 13 2.430 7.295 -4.064 1.00 0.00 O ATOM 163 CB ASN A 13 0.289 9.675 -3.253 1.00 0.00 C ATOM 164 CG ASN A 13 1.129 10.941 -3.440 1.00 0.00 C ATOM 165 OD1 ASN A 13 0.718 11.860 -4.119 1.00 0.00 O ATOM 166 ND2 ASN A 13 2.297 11.028 -2.862 1.00 0.00 N ATOM 0 H ASN A 13 -1.593 8.558 -4.326 1.00 0.00 H new ATOM 0 HA ASN A 13 1.189 9.161 -5.179 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -0.769 9.932 -3.198 1.00 0.00 H new ATOM 0 HB3 ASN A 13 0.548 9.190 -2.312 1.00 0.00 H new ATOM 0 HD21 ASN A 13 2.864 11.868 -2.981 1.00 0.00 H new ATOM 0 HD22 ASN A 13 2.642 10.256 -2.292 1.00 0.00 H new ATOM 173 N ASP A 14 0.474 6.522 -3.377 1.00 0.00 N ATOM 174 CA ASP A 14 1.055 5.236 -2.866 1.00 0.00 C ATOM 175 C ASP A 14 2.133 5.515 -1.810 1.00 0.00 C ATOM 176 O ASP A 14 3.303 5.650 -2.119 1.00 0.00 O ATOM 177 CB ASP A 14 1.650 4.528 -4.091 1.00 0.00 C ATOM 178 CG ASP A 14 0.541 4.240 -5.109 1.00 0.00 C ATOM 179 OD1 ASP A 14 -0.215 3.309 -4.886 1.00 0.00 O ATOM 180 OD2 ASP A 14 0.467 4.957 -6.093 1.00 0.00 O ATOM 0 H ASP A 14 -0.535 6.610 -3.252 1.00 0.00 H new ATOM 0 HA ASP A 14 0.300 4.616 -2.382 1.00 0.00 H new ATOM 0 HB2 ASP A 14 2.421 5.151 -4.545 1.00 0.00 H new ATOM 0 HB3 ASP A 14 2.130 3.597 -3.788 1.00 0.00 H new ATOM 185 N GLN A 15 1.740 5.601 -0.563 1.00 0.00 N ATOM 186 CA GLN A 15 2.728 5.873 0.526 1.00 0.00 C ATOM 187 C GLN A 15 3.049 4.586 1.305 1.00 0.00 C ATOM 188 O GLN A 15 3.351 4.625 2.483 1.00 0.00 O ATOM 189 CB GLN A 15 2.035 6.895 1.432 1.00 0.00 C ATOM 190 CG GLN A 15 3.085 7.779 2.110 1.00 0.00 C ATOM 191 CD GLN A 15 2.431 9.083 2.572 1.00 0.00 C ATOM 192 OE1 GLN A 15 2.609 10.115 1.957 1.00 0.00 O ATOM 193 NE2 GLN A 15 1.676 9.079 3.637 1.00 0.00 N ATOM 0 H GLN A 15 0.775 5.494 -0.252 1.00 0.00 H new ATOM 0 HA GLN A 15 3.677 6.242 0.138 1.00 0.00 H new ATOM 0 HB2 GLN A 15 1.351 7.510 0.847 1.00 0.00 H new ATOM 0 HB3 GLN A 15 1.437 6.382 2.185 1.00 0.00 H new ATOM 0 HG2 GLN A 15 3.521 7.257 2.961 1.00 0.00 H new ATOM 0 HG3 GLN A 15 3.898 7.993 1.417 1.00 0.00 H new ATOM 0 HE21 GLN A 15 1.527 8.212 4.153 1.00 0.00 H new ATOM 0 HE22 GLN A 15 1.235 9.943 3.953 1.00 0.00 H new ATOM 202 N CYS A 16 2.997 3.447 0.654 1.00 0.00 N ATOM 203 CA CYS A 16 3.307 2.164 1.358 1.00 0.00 C ATOM 204 C CYS A 16 4.820 1.912 1.350 1.00 0.00 C ATOM 205 O CYS A 16 5.551 2.498 0.573 1.00 0.00 O ATOM 206 CB CYS A 16 2.573 1.081 0.564 1.00 0.00 C ATOM 207 SG CYS A 16 0.784 1.298 0.752 1.00 0.00 S ATOM 0 H CYS A 16 2.754 3.352 -0.332 1.00 0.00 H new ATOM 0 HA CYS A 16 2.993 2.179 2.402 1.00 0.00 H new ATOM 0 HB2 CYS A 16 2.848 1.139 -0.489 1.00 0.00 H new ATOM 0 HB3 CYS A 16 2.869 0.093 0.917 1.00 0.00 H new ATOM 212 N CYS A 17 5.294 1.050 2.216 1.00 0.00 N ATOM 213 CA CYS A 17 6.762 0.765 2.269 1.00 0.00 C ATOM 214 C CYS A 17 7.188 -0.132 1.100 1.00 0.00 C ATOM 215 O CYS A 17 6.646 -1.201 0.891 1.00 0.00 O ATOM 216 CB CYS A 17 6.985 0.052 3.605 1.00 0.00 C ATOM 217 SG CYS A 17 8.530 0.635 4.344 1.00 0.00 S ATOM 0 H CYS A 17 4.728 0.532 2.888 1.00 0.00 H new ATOM 0 HA CYS A 17 7.353 1.677 2.189 1.00 0.00 H new ATOM 0 HB2 CYS A 17 6.150 0.247 4.278 1.00 0.00 H new ATOM 0 HB3 CYS A 17 7.026 -1.026 3.452 1.00 0.00 H new ATOM 222 N LYS A 18 8.166 0.303 0.343 1.00 0.00 N ATOM 223 CA LYS A 18 8.653 -0.509 -0.816 1.00 0.00 C ATOM 224 C LYS A 18 9.514 -1.686 -0.329 1.00 0.00 C ATOM 225 O LYS A 18 9.588 -2.714 -0.976 1.00 0.00 O ATOM 226 CB LYS A 18 9.494 0.461 -1.651 1.00 0.00 C ATOM 227 CG LYS A 18 9.879 -0.195 -2.981 1.00 0.00 C ATOM 228 CD LYS A 18 8.664 -0.225 -3.911 1.00 0.00 C ATOM 229 CE LYS A 18 9.113 0.038 -5.352 1.00 0.00 C ATOM 230 NZ LYS A 18 8.251 -0.839 -6.195 1.00 0.00 N ATOM 0 H LYS A 18 8.650 1.190 0.479 1.00 0.00 H new ATOM 0 HA LYS A 18 7.831 -0.939 -1.388 1.00 0.00 H new ATOM 0 HB2 LYS A 18 8.932 1.377 -1.836 1.00 0.00 H new ATOM 0 HB3 LYS A 18 10.392 0.744 -1.101 1.00 0.00 H new ATOM 0 HG2 LYS A 18 10.693 0.358 -3.448 1.00 0.00 H new ATOM 0 HG3 LYS A 18 10.241 -1.208 -2.807 1.00 0.00 H new ATOM 0 HD2 LYS A 18 8.167 -1.193 -3.845 1.00 0.00 H new ATOM 0 HD3 LYS A 18 7.938 0.528 -3.602 1.00 0.00 H new ATOM 0 HE2 LYS A 18 8.987 1.087 -5.618 1.00 0.00 H new ATOM 0 HE3 LYS A 18 10.168 -0.201 -5.486 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 8.501 -0.713 -7.196 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 8.397 -1.833 -5.924 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 7.253 -0.584 -6.053 1.00 0.00 H new ATOM 244 N SER A 19 10.164 -1.542 0.805 1.00 0.00 N ATOM 245 CA SER A 19 11.021 -2.650 1.338 1.00 0.00 C ATOM 246 C SER A 19 10.181 -3.909 1.597 1.00 0.00 C ATOM 247 O SER A 19 10.638 -5.018 1.391 1.00 0.00 O ATOM 248 CB SER A 19 11.598 -2.112 2.649 1.00 0.00 C ATOM 249 OG SER A 19 12.677 -2.939 3.063 1.00 0.00 O ATOM 0 H SER A 19 10.137 -0.703 1.384 1.00 0.00 H new ATOM 0 HA SER A 19 11.802 -2.935 0.633 1.00 0.00 H new ATOM 0 HB2 SER A 19 11.942 -1.087 2.514 1.00 0.00 H new ATOM 0 HB3 SER A 19 10.826 -2.091 3.418 1.00 0.00 H new ATOM 0 HG SER A 19 13.049 -2.595 3.902 1.00 0.00 H new ATOM 255 N SER A 20 8.956 -3.747 2.042 1.00 0.00 N ATOM 256 CA SER A 20 8.086 -4.936 2.306 1.00 0.00 C ATOM 257 C SER A 20 7.155 -5.206 1.111 1.00 0.00 C ATOM 258 O SER A 20 6.152 -5.883 1.244 1.00 0.00 O ATOM 259 CB SER A 20 7.273 -4.563 3.549 1.00 0.00 C ATOM 260 OG SER A 20 8.030 -4.866 4.714 1.00 0.00 O ATOM 0 H SER A 20 8.523 -2.844 2.233 1.00 0.00 H new ATOM 0 HA SER A 20 8.670 -5.844 2.455 1.00 0.00 H new ATOM 0 HB2 SER A 20 7.023 -3.502 3.529 1.00 0.00 H new ATOM 0 HB3 SER A 20 6.331 -5.112 3.560 1.00 0.00 H new ATOM 0 HG SER A 20 7.513 -4.627 5.511 1.00 0.00 H new ATOM 266 N ASN A 21 7.483 -4.687 -0.055 1.00 0.00 N ATOM 267 CA ASN A 21 6.629 -4.911 -1.267 1.00 0.00 C ATOM 268 C ASN A 21 5.165 -4.536 -0.980 1.00 0.00 C ATOM 269 O ASN A 21 4.248 -5.242 -1.358 1.00 0.00 O ATOM 270 CB ASN A 21 6.764 -6.408 -1.578 1.00 0.00 C ATOM 271 CG ASN A 21 6.994 -6.621 -3.079 1.00 0.00 C ATOM 272 OD1 ASN A 21 7.382 -5.713 -3.788 1.00 0.00 O ATOM 273 ND2 ASN A 21 6.772 -7.799 -3.598 1.00 0.00 N ATOM 0 H ASN A 21 8.312 -4.115 -0.217 1.00 0.00 H new ATOM 0 HA ASN A 21 6.942 -4.293 -2.108 1.00 0.00 H new ATOM 0 HB2 ASN A 21 7.594 -6.830 -1.012 1.00 0.00 H new ATOM 0 HB3 ASN A 21 5.863 -6.935 -1.263 1.00 0.00 H new ATOM 0 HD21 ASN A 21 6.924 -7.954 -4.595 1.00 0.00 H new ATOM 0 HD22 ASN A 21 6.446 -8.564 -3.007 1.00 0.00 H new ATOM 280 N LEU A 22 4.944 -3.427 -0.317 1.00 0.00 N ATOM 281 CA LEU A 22 3.545 -3.001 -0.007 1.00 0.00 C ATOM 282 C LEU A 22 3.070 -1.969 -1.033 1.00 0.00 C ATOM 283 O LEU A 22 3.794 -1.057 -1.390 1.00 0.00 O ATOM 284 CB LEU A 22 3.611 -2.376 1.390 1.00 0.00 C ATOM 285 CG LEU A 22 3.733 -3.477 2.448 1.00 0.00 C ATOM 286 CD1 LEU A 22 4.087 -2.848 3.798 1.00 0.00 C ATOM 287 CD2 LEU A 22 2.402 -4.225 2.566 1.00 0.00 C ATOM 0 H LEU A 22 5.672 -2.799 0.023 1.00 0.00 H new ATOM 0 HA LEU A 22 2.845 -3.836 -0.043 1.00 0.00 H new ATOM 0 HB2 LEU A 22 4.464 -1.700 1.456 1.00 0.00 H new ATOM 0 HB3 LEU A 22 2.717 -1.780 1.574 1.00 0.00 H new ATOM 0 HG LEU A 22 4.516 -4.177 2.155 1.00 0.00 H new ATOM 0 HD11 LEU A 22 4.174 -3.630 4.552 1.00 0.00 H new ATOM 0 HD12 LEU A 22 5.035 -2.317 3.715 1.00 0.00 H new ATOM 0 HD13 LEU A 22 3.304 -2.148 4.090 1.00 0.00 H new ATOM 0 HD21 LEU A 22 2.490 -5.008 3.319 1.00 0.00 H new ATOM 0 HD22 LEU A 22 1.617 -3.527 2.858 1.00 0.00 H new ATOM 0 HD23 LEU A 22 2.150 -4.673 1.605 1.00 0.00 H new ATOM 299 N VAL A 23 1.859 -2.108 -1.509 1.00 0.00 N ATOM 300 CA VAL A 23 1.324 -1.137 -2.515 1.00 0.00 C ATOM 301 C VAL A 23 -0.083 -0.680 -2.110 1.00 0.00 C ATOM 302 O VAL A 23 -0.855 -1.439 -1.554 1.00 0.00 O ATOM 303 CB VAL A 23 1.289 -1.897 -3.852 1.00 0.00 C ATOM 304 CG1 VAL A 23 2.718 -2.209 -4.305 1.00 0.00 C ATOM 305 CG2 VAL A 23 0.510 -3.210 -3.694 1.00 0.00 C ATOM 0 H VAL A 23 1.215 -2.853 -1.245 1.00 0.00 H new ATOM 0 HA VAL A 23 1.942 -0.242 -2.586 1.00 0.00 H new ATOM 0 HB VAL A 23 0.795 -1.274 -4.597 1.00 0.00 H new ATOM 0 HG11 VAL A 23 2.690 -2.747 -5.252 1.00 0.00 H new ATOM 0 HG12 VAL A 23 3.271 -1.278 -4.433 1.00 0.00 H new ATOM 0 HG13 VAL A 23 3.212 -2.824 -3.553 1.00 0.00 H new ATOM 0 HG21 VAL A 23 0.492 -3.739 -4.647 1.00 0.00 H new ATOM 0 HG22 VAL A 23 0.995 -3.833 -2.942 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -0.511 -2.992 -3.381 1.00 0.00 H new ATOM 315 N CYS A 24 -0.420 0.557 -2.383 1.00 0.00 N ATOM 316 CA CYS A 24 -1.778 1.063 -2.011 1.00 0.00 C ATOM 317 C CYS A 24 -2.830 0.528 -2.990 1.00 0.00 C ATOM 318 O CYS A 24 -2.772 0.782 -4.179 1.00 0.00 O ATOM 319 CB CYS A 24 -1.681 2.588 -2.096 1.00 0.00 C ATOM 320 SG CYS A 24 -2.903 3.329 -0.986 1.00 0.00 S ATOM 0 H CYS A 24 0.184 1.236 -2.846 1.00 0.00 H new ATOM 0 HA CYS A 24 -2.079 0.736 -1.016 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -0.678 2.916 -1.822 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -1.856 2.918 -3.120 1.00 0.00 H new ATOM 325 N SER A 25 -3.788 -0.217 -2.493 1.00 0.00 N ATOM 326 CA SER A 25 -4.850 -0.785 -3.382 1.00 0.00 C ATOM 327 C SER A 25 -5.925 0.267 -3.686 1.00 0.00 C ATOM 328 O SER A 25 -5.927 1.348 -3.128 1.00 0.00 O ATOM 329 CB SER A 25 -5.451 -1.945 -2.584 1.00 0.00 C ATOM 330 OG SER A 25 -6.264 -2.737 -3.440 1.00 0.00 O ATOM 0 H SER A 25 -3.880 -0.457 -1.506 1.00 0.00 H new ATOM 0 HA SER A 25 -4.448 -1.107 -4.343 1.00 0.00 H new ATOM 0 HB2 SER A 25 -4.657 -2.554 -2.153 1.00 0.00 H new ATOM 0 HB3 SER A 25 -6.044 -1.561 -1.754 1.00 0.00 H new ATOM 0 HG SER A 25 -6.648 -3.481 -2.930 1.00 0.00 H new ATOM 336 N ARG A 26 -6.844 -0.052 -4.566 1.00 0.00 N ATOM 337 CA ARG A 26 -7.933 0.914 -4.912 1.00 0.00 C ATOM 338 C ARG A 26 -9.225 0.522 -4.184 1.00 0.00 C ATOM 339 O ARG A 26 -9.861 1.344 -3.551 1.00 0.00 O ATOM 340 CB ARG A 26 -8.106 0.797 -6.429 1.00 0.00 C ATOM 341 CG ARG A 26 -9.033 1.910 -6.927 1.00 0.00 C ATOM 342 CD ARG A 26 -8.802 2.140 -8.423 1.00 0.00 C ATOM 343 NE ARG A 26 -10.019 1.597 -9.090 1.00 0.00 N ATOM 344 CZ ARG A 26 -9.978 0.430 -9.677 1.00 0.00 C ATOM 345 NH1 ARG A 26 -9.537 0.331 -10.904 1.00 0.00 N ATOM 346 NH2 ARG A 26 -10.377 -0.638 -9.035 1.00 0.00 N ATOM 0 H ARG A 26 -6.886 -0.943 -5.061 1.00 0.00 H new ATOM 0 HA ARG A 26 -7.695 1.935 -4.614 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -7.137 0.869 -6.922 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -8.522 -0.178 -6.684 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -10.073 1.638 -6.747 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -8.843 2.830 -6.374 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -8.671 3.199 -8.644 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -7.903 1.629 -8.766 1.00 0.00 H new ATOM 0 HE ARG A 26 -10.885 2.137 -9.088 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -9.225 1.164 -11.403 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -9.505 -0.580 -11.362 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -10.720 -0.559 -8.077 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -10.346 -1.549 -9.492 1.00 0.00 H new ATOM 360 N LYS A 27 -9.609 -0.732 -4.262 1.00 0.00 N ATOM 361 CA LYS A 27 -10.854 -1.189 -3.566 1.00 0.00 C ATOM 362 C LYS A 27 -10.686 -1.041 -2.048 1.00 0.00 C ATOM 363 O LYS A 27 -11.569 -0.561 -1.362 1.00 0.00 O ATOM 364 CB LYS A 27 -11.008 -2.666 -3.948 1.00 0.00 C ATOM 365 CG LYS A 27 -12.343 -3.202 -3.417 1.00 0.00 C ATOM 366 CD LYS A 27 -12.101 -4.475 -2.598 1.00 0.00 C ATOM 367 CE LYS A 27 -12.975 -5.613 -3.140 1.00 0.00 C ATOM 368 NZ LYS A 27 -14.058 -5.794 -2.129 1.00 0.00 N ATOM 0 H LYS A 27 -9.113 -1.458 -4.778 1.00 0.00 H new ATOM 0 HA LYS A 27 -11.728 -0.605 -3.853 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -10.966 -2.777 -5.031 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -10.183 -3.246 -3.535 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -12.829 -2.447 -2.798 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -13.016 -3.415 -4.247 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -11.049 -4.756 -2.648 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -12.333 -4.293 -1.549 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -13.387 -5.361 -4.117 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -12.396 -6.528 -3.265 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -14.694 -6.558 -2.435 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -13.638 -6.041 -1.210 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -14.598 -4.910 -2.036 1.00 0.00 H new ATOM 382 N HIS A 28 -9.554 -1.446 -1.526 1.00 0.00 N ATOM 383 CA HIS A 28 -9.310 -1.330 -0.054 1.00 0.00 C ATOM 384 C HIS A 28 -8.644 0.015 0.279 1.00 0.00 C ATOM 385 O HIS A 28 -8.731 0.491 1.396 1.00 0.00 O ATOM 386 CB HIS A 28 -8.369 -2.490 0.286 1.00 0.00 C ATOM 387 CG HIS A 28 -9.093 -3.799 0.120 1.00 0.00 C ATOM 388 ND1 HIS A 28 -10.183 -4.146 0.904 1.00 0.00 N ATOM 389 CD2 HIS A 28 -8.897 -4.853 -0.738 1.00 0.00 C ATOM 390 CE1 HIS A 28 -10.597 -5.363 0.505 1.00 0.00 C ATOM 391 NE2 HIS A 28 -9.848 -5.839 -0.493 1.00 0.00 N ATOM 0 H HIS A 28 -8.785 -1.854 -2.058 1.00 0.00 H new ATOM 0 HA HIS A 28 -10.237 -1.372 0.517 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -7.494 -2.463 -0.363 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -8.009 -2.390 1.310 1.00 0.00 H new ATOM 0 HD2 HIS A 28 -8.123 -4.908 -1.489 1.00 0.00 H new ATOM 0 HE1 HIS A 28 -11.433 -5.891 0.939 1.00 0.00 H new ATOM 0 HE2 HIS A 28 -9.951 -6.733 -0.973 1.00 0.00 H new ATOM 399 N ARG A 29 -7.980 0.625 -0.682 1.00 0.00 N ATOM 400 CA ARG A 29 -7.299 1.940 -0.438 1.00 0.00 C ATOM 401 C ARG A 29 -6.325 1.835 0.746 1.00 0.00 C ATOM 402 O ARG A 29 -6.293 2.686 1.616 1.00 0.00 O ATOM 403 CB ARG A 29 -8.429 2.933 -0.136 1.00 0.00 C ATOM 404 CG ARG A 29 -8.067 4.307 -0.707 1.00 0.00 C ATOM 405 CD ARG A 29 -8.196 5.369 0.389 1.00 0.00 C ATOM 406 NE ARG A 29 -7.577 6.594 -0.190 1.00 0.00 N ATOM 407 CZ ARG A 29 -8.321 7.627 -0.484 1.00 0.00 C ATOM 408 NH1 ARG A 29 -8.660 8.475 0.453 1.00 0.00 N ATOM 409 NH2 ARG A 29 -8.726 7.812 -1.713 1.00 0.00 N ATOM 0 H ARG A 29 -7.881 0.264 -1.631 1.00 0.00 H new ATOM 0 HA ARG A 29 -6.706 2.257 -1.296 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -9.364 2.581 -0.572 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -8.587 3.005 0.940 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -7.049 4.293 -1.096 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -8.724 4.550 -1.542 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -9.240 5.540 0.652 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -7.684 5.060 1.300 1.00 0.00 H new ATOM 0 HE ARG A 29 -6.571 6.626 -0.357 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -8.343 8.329 1.412 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -9.241 9.282 0.225 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -8.461 7.150 -2.442 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -9.307 8.618 -1.943 1.00 0.00 H new ATOM 423 N TRP A 30 -5.527 0.794 0.778 1.00 0.00 N ATOM 424 CA TRP A 30 -4.548 0.627 1.898 1.00 0.00 C ATOM 425 C TRP A 30 -3.303 -0.140 1.424 1.00 0.00 C ATOM 426 O TRP A 30 -3.232 -0.591 0.296 1.00 0.00 O ATOM 427 CB TRP A 30 -5.311 -0.140 2.998 1.00 0.00 C ATOM 428 CG TRP A 30 -5.492 -1.597 2.652 1.00 0.00 C ATOM 429 CD1 TRP A 30 -5.381 -2.144 1.417 1.00 0.00 C ATOM 430 CD2 TRP A 30 -5.828 -2.696 3.549 1.00 0.00 C ATOM 431 NE1 TRP A 30 -5.617 -3.503 1.503 1.00 0.00 N ATOM 432 CE2 TRP A 30 -5.899 -3.891 2.796 1.00 0.00 C ATOM 433 CE3 TRP A 30 -6.074 -2.770 4.932 1.00 0.00 C ATOM 434 CZ2 TRP A 30 -6.203 -5.116 3.392 1.00 0.00 C ATOM 435 CZ3 TRP A 30 -6.380 -4.000 5.535 1.00 0.00 C ATOM 436 CH2 TRP A 30 -6.444 -5.171 4.766 1.00 0.00 C ATOM 0 H TRP A 30 -5.512 0.053 0.077 1.00 0.00 H new ATOM 0 HA TRP A 30 -4.182 1.584 2.270 1.00 0.00 H new ATOM 0 HB2 TRP A 30 -4.769 -0.056 3.940 1.00 0.00 H new ATOM 0 HB3 TRP A 30 -6.287 0.320 3.150 1.00 0.00 H new ATOM 0 HD1 TRP A 30 -5.146 -1.605 0.511 1.00 0.00 H new ATOM 0 HE1 TRP A 30 -5.586 -4.141 0.708 1.00 0.00 H new ATOM 0 HE3 TRP A 30 -6.027 -1.874 5.534 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 -6.251 -6.015 2.795 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 -6.567 -4.045 6.598 1.00 0.00 H new ATOM 0 HH2 TRP A 30 -6.679 -6.114 5.236 1.00 0.00 H new ATOM 447 N CYS A 31 -2.319 -0.285 2.276 1.00 0.00 N ATOM 448 CA CYS A 31 -1.081 -1.019 1.871 1.00 0.00 C ATOM 449 C CYS A 31 -1.344 -2.529 1.867 1.00 0.00 C ATOM 450 O CYS A 31 -1.759 -3.099 2.858 1.00 0.00 O ATOM 451 CB CYS A 31 -0.026 -0.659 2.921 1.00 0.00 C ATOM 452 SG CYS A 31 0.454 1.077 2.733 1.00 0.00 S ATOM 0 H CYS A 31 -2.319 0.072 3.232 1.00 0.00 H new ATOM 0 HA CYS A 31 -0.754 -0.746 0.868 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -0.422 -0.831 3.922 1.00 0.00 H new ATOM 0 HB3 CYS A 31 0.847 -1.302 2.809 1.00 0.00 H new ATOM 457 N LYS A 32 -1.109 -3.174 0.754 1.00 0.00 N ATOM 458 CA LYS A 32 -1.344 -4.646 0.668 1.00 0.00 C ATOM 459 C LYS A 32 -0.145 -5.333 0.005 1.00 0.00 C ATOM 460 O LYS A 32 0.517 -4.763 -0.843 1.00 0.00 O ATOM 461 CB LYS A 32 -2.596 -4.795 -0.199 1.00 0.00 C ATOM 462 CG LYS A 32 -3.131 -6.224 -0.086 1.00 0.00 C ATOM 463 CD LYS A 32 -4.472 -6.328 -0.816 1.00 0.00 C ATOM 464 CE LYS A 32 -4.859 -7.801 -0.973 1.00 0.00 C ATOM 465 NZ LYS A 32 -6.219 -7.782 -1.584 1.00 0.00 N ATOM 0 H LYS A 32 -0.763 -2.742 -0.103 1.00 0.00 H new ATOM 0 HA LYS A 32 -1.471 -5.105 1.649 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -3.358 -4.084 0.120 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -2.361 -4.565 -1.238 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -2.416 -6.926 -0.515 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -3.254 -6.495 0.962 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -5.243 -5.796 -0.258 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -4.402 -5.854 -1.795 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -4.149 -8.330 -1.609 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -4.866 -8.312 -0.010 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -6.551 -8.758 -1.722 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -6.876 -7.279 -0.954 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -6.180 -7.296 -2.503 1.00 0.00 H new ATOM 479 N TYR A 33 0.135 -6.556 0.381 1.00 0.00 N ATOM 480 CA TYR A 33 1.288 -7.284 -0.230 1.00 0.00 C ATOM 481 C TYR A 33 0.903 -7.794 -1.622 1.00 0.00 C ATOM 482 O TYR A 33 -0.040 -8.549 -1.776 1.00 0.00 O ATOM 483 CB TYR A 33 1.576 -8.456 0.715 1.00 0.00 C ATOM 484 CG TYR A 33 3.070 -8.613 0.891 1.00 0.00 C ATOM 485 CD1 TYR A 33 3.886 -8.886 -0.217 1.00 0.00 C ATOM 486 CD2 TYR A 33 3.640 -8.485 2.163 1.00 0.00 C ATOM 487 CE1 TYR A 33 5.268 -9.028 -0.049 1.00 0.00 C ATOM 488 CE2 TYR A 33 5.022 -8.628 2.330 1.00 0.00 C ATOM 489 CZ TYR A 33 5.836 -8.900 1.224 1.00 0.00 C ATOM 490 OH TYR A 33 7.200 -9.037 1.389 1.00 0.00 O ATOM 0 H TYR A 33 -0.385 -7.081 1.084 1.00 0.00 H new ATOM 0 HA TYR A 33 2.162 -6.645 -0.352 1.00 0.00 H new ATOM 0 HB2 TYR A 33 1.103 -8.282 1.681 1.00 0.00 H new ATOM 0 HB3 TYR A 33 1.149 -9.374 0.312 1.00 0.00 H new ATOM 0 HD1 TYR A 33 3.448 -8.987 -1.199 1.00 0.00 H new ATOM 0 HD2 TYR A 33 3.012 -8.276 3.017 1.00 0.00 H new ATOM 0 HE1 TYR A 33 5.897 -9.236 -0.902 1.00 0.00 H new ATOM 0 HE2 TYR A 33 5.461 -8.529 3.312 1.00 0.00 H new ATOM 0 HH TYR A 33 7.429 -8.918 2.334 1.00 0.00 H new ATOM 500 N GLU A 34 1.623 -7.382 -2.635 1.00 0.00 N ATOM 501 CA GLU A 34 1.301 -7.837 -4.025 1.00 0.00 C ATOM 502 C GLU A 34 1.520 -9.350 -4.163 1.00 0.00 C ATOM 503 O GLU A 34 2.406 -9.919 -3.552 1.00 0.00 O ATOM 504 CB GLU A 34 2.252 -7.058 -4.946 1.00 0.00 C ATOM 505 CG GLU A 34 3.712 -7.324 -4.553 1.00 0.00 C ATOM 506 CD GLU A 34 4.611 -7.152 -5.779 1.00 0.00 C ATOM 507 OE1 GLU A 34 4.729 -8.099 -6.540 1.00 0.00 O ATOM 508 OE2 GLU A 34 5.167 -6.078 -5.935 1.00 0.00 O ATOM 0 H GLU A 34 2.420 -6.750 -2.561 1.00 0.00 H new ATOM 0 HA GLU A 34 0.258 -7.650 -4.280 1.00 0.00 H new ATOM 0 HB2 GLU A 34 2.088 -7.353 -5.982 1.00 0.00 H new ATOM 0 HB3 GLU A 34 2.039 -5.991 -4.881 1.00 0.00 H new ATOM 0 HG2 GLU A 34 4.019 -6.636 -3.765 1.00 0.00 H new ATOM 0 HG3 GLU A 34 3.814 -8.333 -4.153 1.00 0.00 H new ATOM 515 N ILE A 35 0.714 -10.004 -4.962 1.00 0.00 N ATOM 516 CA ILE A 35 0.867 -11.481 -5.145 1.00 0.00 C ATOM 517 C ILE A 35 1.800 -11.788 -6.329 1.00 0.00 C ATOM 518 O ILE A 35 2.186 -12.945 -6.308 1.00 0.00 O ATOM 519 CB ILE A 35 -0.554 -12.006 -5.404 1.00 0.00 C ATOM 520 CG1 ILE A 35 -0.570 -13.530 -5.235 1.00 0.00 C ATOM 521 CG2 ILE A 35 -1.004 -11.645 -6.827 1.00 0.00 C ATOM 522 CD1 ILE A 35 -1.977 -13.994 -4.848 1.00 0.00 C ATOM 0 H ILE A 35 -0.044 -9.579 -5.496 1.00 0.00 H new ATOM 0 HA ILE A 35 1.316 -11.957 -4.274 1.00 0.00 H new ATOM 0 HB ILE A 35 -1.238 -11.547 -4.690 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -0.261 -14.011 -6.163 1.00 0.00 H new ATOM 0 HG13 ILE A 35 0.145 -13.828 -4.468 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -2.012 -12.023 -6.997 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -0.998 -10.562 -6.947 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -0.322 -12.094 -7.549 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -1.983 -15.077 -4.729 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -2.270 -13.524 -3.909 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -2.681 -13.711 -5.630 1.00 0.00 H new HETATM 534 N NH2 A 36 2.708 -10.837 -6.372 1.00 0.00 N TER 537 NH2 A 36