USER MOD reduce.3.24.130724 H: found=0, std=0, add=447, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 447 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 29 SER OG : rot 180:sc= 0.368 USER MOD Set 1.2: A 34 THR OG1 : rot -63:sc= 0.409 USER MOD Single : A 1 LEU N :NH3+ -156:sc= 0.012 (180deg=0) USER MOD Single : A 4 HIS : no HE2:sc= -1.66 K(o=-1.7,f=-5.6!) USER MOD Single : A 5 ASN : amide:sc= -0.496 K(o=-0.5,f=-3.2!) USER MOD Single : A 6 GLN : amide:sc= -0.106 K(o=-0.11,f=-0.63) USER MOD Single : A 7 GLN : amide:sc= -1.67 X(o=-1.7,f=-1.6) USER MOD Single : A 8 SER OG : rot 180:sc=-0.00522 USER MOD Single : A 9 SER OG : rot 180:sc=-0.00401 USER MOD Single : A 10 GLN : amide:sc= 0 X(o=0,f=-0.016) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 24:sc= 0.379 USER MOD Single : A 15 LYS NZ :NH3+ -155:sc= 0 (180deg=-0.00765) USER MOD Single : A 16 THR OG1 : rot 58:sc= 0.711 USER MOD Single : A 18 SER OG : rot 180:sc= 0.124 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 ASN : amide:sc= -2.91! C(o=-2.9!,f=-4.2!) USER MOD Single : A 24 TYR OH : rot -151:sc= -0.717 USER MOD Single : A 25 LYS NZ :NH3+ -141:sc= 0.133 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 138:sc= 0.715 (180deg=-0.68) USER MOD Single : A 31 HIS : no HE2:sc= -0.778 K(o=-0.78,f=-2.1) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 165:sc= 0 (180deg=-0.17) USER MOD Single : A 50 ASN : amide:sc= -0.324 X(o=-0.32,f=-0.46) USER MOD Single : A 52 ASN : amide:sc= -2.43! K(o=-2.4!,f=-1.4) USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc= 0.224 K(o=0.22,f=-11!) USER MOD Single : A 61 ASN : amide:sc= 1.04 K(o=1,f=-0.71) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 4.709 13.718 1.659 1.00 0.00 N ATOM 2 CA LEU A 1 4.113 13.149 0.423 1.00 0.00 C ATOM 3 C LEU A 1 2.596 13.280 0.425 1.00 0.00 C ATOM 4 O LEU A 1 2.021 14.012 1.231 1.00 0.00 O ATOM 5 CB LEU A 1 4.510 11.677 0.320 1.00 0.00 C ATOM 6 CG LEU A 1 5.265 11.296 -0.955 1.00 0.00 C ATOM 7 CD1 LEU A 1 4.330 11.222 -2.150 1.00 0.00 C ATOM 8 CD2 LEU A 1 6.399 12.271 -1.228 1.00 0.00 C ATOM 0 H1 LEU A 1 5.696 13.989 1.476 1.00 0.00 H new ATOM 0 H2 LEU A 1 4.168 14.557 1.951 1.00 0.00 H new ATOM 0 H3 LEU A 1 4.680 13.007 2.417 1.00 0.00 H new ATOM 0 HA LEU A 1 4.489 13.704 -0.437 1.00 0.00 H new ATOM 0 HB2 LEU A 1 5.129 11.423 1.180 1.00 0.00 H new ATOM 0 HB3 LEU A 1 3.608 11.068 0.385 1.00 0.00 H new ATOM 0 HG LEU A 1 5.692 10.305 -0.799 1.00 0.00 H new ATOM 0 HD11 LEU A 1 4.898 10.949 -3.040 1.00 0.00 H new ATOM 0 HD12 LEU A 1 3.562 10.471 -1.965 1.00 0.00 H new ATOM 0 HD13 LEU A 1 3.859 12.193 -2.304 1.00 0.00 H new ATOM 0 HD21 LEU A 1 6.920 11.978 -2.140 1.00 0.00 H new ATOM 0 HD22 LEU A 1 5.994 13.276 -1.349 1.00 0.00 H new ATOM 0 HD23 LEU A 1 7.098 12.260 -0.392 1.00 0.00 H new ATOM 22 N GLU A 2 1.958 12.557 -0.485 1.00 0.00 N ATOM 23 CA GLU A 2 0.505 12.574 -0.603 1.00 0.00 C ATOM 24 C GLU A 2 0.018 11.343 -1.363 1.00 0.00 C ATOM 25 O GLU A 2 -0.714 11.451 -2.347 1.00 0.00 O ATOM 26 CB GLU A 2 0.041 13.853 -1.303 1.00 0.00 C ATOM 27 CG GLU A 2 -0.517 14.892 -0.346 1.00 0.00 C ATOM 28 CD GLU A 2 -0.817 16.213 -1.028 1.00 0.00 C ATOM 29 OE1 GLU A 2 0.079 16.742 -1.720 1.00 0.00 O ATOM 30 OE2 GLU A 2 -1.948 16.718 -0.870 1.00 0.00 O ATOM 0 H GLU A 2 2.426 11.948 -1.156 1.00 0.00 H new ATOM 0 HA GLU A 2 0.076 12.554 0.399 1.00 0.00 H new ATOM 0 HB2 GLU A 2 0.880 14.285 -1.849 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -0.722 13.600 -2.039 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -1.429 14.508 0.110 1.00 0.00 H new ATOM 0 HG3 GLU A 2 0.197 15.058 0.461 1.00 0.00 H new ATOM 37 N CYS A 3 0.440 10.172 -0.902 1.00 0.00 N ATOM 38 CA CYS A 3 0.064 8.918 -1.534 1.00 0.00 C ATOM 39 C CYS A 3 -1.332 8.478 -1.105 1.00 0.00 C ATOM 40 O CYS A 3 -1.999 9.159 -0.327 1.00 0.00 O ATOM 41 CB CYS A 3 1.085 7.840 -1.185 1.00 0.00 C ATOM 42 SG CYS A 3 2.700 8.060 -1.998 1.00 0.00 S ATOM 0 H CYS A 3 1.046 10.067 -0.088 1.00 0.00 H new ATOM 0 HA CYS A 3 0.049 9.070 -2.613 1.00 0.00 H new ATOM 0 HB2 CYS A 3 1.232 7.829 -0.105 1.00 0.00 H new ATOM 0 HB3 CYS A 3 0.680 6.867 -1.462 1.00 0.00 H new ATOM 47 N HIS A 4 -1.764 7.332 -1.621 1.00 0.00 N ATOM 48 CA HIS A 4 -3.080 6.793 -1.300 1.00 0.00 C ATOM 49 C HIS A 4 -3.058 6.058 0.037 1.00 0.00 C ATOM 50 O HIS A 4 -2.033 6.014 0.718 1.00 0.00 O ATOM 51 CB HIS A 4 -3.547 5.847 -2.406 1.00 0.00 C ATOM 52 CG HIS A 4 -3.826 6.537 -3.706 1.00 0.00 C ATOM 53 ND1 HIS A 4 -4.925 7.345 -3.908 1.00 0.00 N ATOM 54 CD2 HIS A 4 -3.143 6.535 -4.876 1.00 0.00 C ATOM 55 CE1 HIS A 4 -4.905 7.809 -5.145 1.00 0.00 C ATOM 56 NE2 HIS A 4 -3.835 7.333 -5.753 1.00 0.00 N ATOM 0 H HIS A 4 -1.220 6.758 -2.265 1.00 0.00 H new ATOM 0 HA HIS A 4 -3.778 7.627 -1.223 1.00 0.00 H new ATOM 0 HB2 HIS A 4 -2.785 5.084 -2.565 1.00 0.00 H new ATOM 0 HB3 HIS A 4 -4.450 5.333 -2.076 1.00 0.00 H new ATOM 0 HD1 HIS A 4 -5.641 7.552 -3.212 1.00 0.00 H new ATOM 0 HD2 HIS A 4 -2.225 6.004 -5.081 1.00 0.00 H new ATOM 0 HE1 HIS A 4 -5.640 8.467 -5.584 1.00 0.00 H new ATOM 65 N ASN A 5 -4.198 5.481 0.406 1.00 0.00 N ATOM 66 CA ASN A 5 -4.314 4.747 1.660 1.00 0.00 C ATOM 67 C ASN A 5 -5.646 4.007 1.731 1.00 0.00 C ATOM 68 O ASN A 5 -6.275 3.938 2.788 1.00 0.00 O ATOM 69 CB ASN A 5 -4.181 5.701 2.848 1.00 0.00 C ATOM 70 CG ASN A 5 -5.249 6.777 2.847 1.00 0.00 C ATOM 71 OD1 ASN A 5 -5.569 7.347 1.804 1.00 0.00 O ATOM 72 ND2 ASN A 5 -5.806 7.061 4.018 1.00 0.00 N ATOM 0 H ASN A 5 -5.055 5.508 -0.147 1.00 0.00 H new ATOM 0 HA ASN A 5 -3.508 4.014 1.702 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -4.243 5.132 3.776 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -3.197 6.169 2.826 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -6.530 7.777 4.078 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -5.510 6.563 4.858 1.00 0.00 H new ATOM 79 N GLN A 6 -6.072 3.459 0.598 1.00 0.00 N ATOM 80 CA GLN A 6 -7.331 2.726 0.528 1.00 0.00 C ATOM 81 C GLN A 6 -7.119 1.244 0.817 1.00 0.00 C ATOM 82 O GLN A 6 -6.177 0.632 0.315 1.00 0.00 O ATOM 83 CB GLN A 6 -7.970 2.901 -0.851 1.00 0.00 C ATOM 84 CG GLN A 6 -7.019 2.613 -2.000 1.00 0.00 C ATOM 85 CD GLN A 6 -7.726 2.032 -3.210 1.00 0.00 C ATOM 86 OE1 GLN A 6 -8.579 1.155 -3.082 1.00 0.00 O ATOM 87 NE2 GLN A 6 -7.371 2.520 -4.393 1.00 0.00 N ATOM 0 H GLN A 6 -5.564 3.509 -0.285 1.00 0.00 H new ATOM 0 HA GLN A 6 -8.000 3.132 1.287 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -8.833 2.240 -0.929 1.00 0.00 H new ATOM 0 HB3 GLN A 6 -8.341 3.922 -0.944 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -6.512 3.534 -2.287 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -6.250 1.918 -1.665 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -6.658 3.247 -4.452 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -7.811 2.167 -5.243 1.00 0.00 H new ATOM 96 N GLN A 7 -8.004 0.672 1.626 1.00 0.00 N ATOM 97 CA GLN A 7 -7.920 -0.739 1.981 1.00 0.00 C ATOM 98 C GLN A 7 -9.061 -1.523 1.340 1.00 0.00 C ATOM 99 O GLN A 7 -10.176 -1.016 1.209 1.00 0.00 O ATOM 100 CB GLN A 7 -7.955 -0.916 3.503 1.00 0.00 C ATOM 101 CG GLN A 7 -8.684 0.196 4.241 1.00 0.00 C ATOM 102 CD GLN A 7 -7.854 1.460 4.359 1.00 0.00 C ATOM 103 OE1 GLN A 7 -8.213 2.506 3.817 1.00 0.00 O ATOM 104 NE2 GLN A 7 -6.737 1.370 5.072 1.00 0.00 N ATOM 0 H GLN A 7 -8.790 1.166 2.049 1.00 0.00 H new ATOM 0 HA GLN A 7 -6.973 -1.126 1.605 1.00 0.00 H new ATOM 0 HB2 GLN A 7 -8.434 -1.867 3.736 1.00 0.00 H new ATOM 0 HB3 GLN A 7 -6.932 -0.974 3.875 1.00 0.00 H new ATOM 0 HG2 GLN A 7 -9.614 0.424 3.720 1.00 0.00 H new ATOM 0 HG3 GLN A 7 -8.954 -0.151 5.238 1.00 0.00 H new ATOM 0 HE21 GLN A 7 -6.478 0.483 5.504 1.00 0.00 H new ATOM 0 HE22 GLN A 7 -6.139 2.188 5.188 1.00 0.00 H new ATOM 113 N SER A 8 -8.777 -2.758 0.940 1.00 0.00 N ATOM 114 CA SER A 8 -9.785 -3.605 0.312 1.00 0.00 C ATOM 115 C SER A 8 -10.286 -2.972 -0.985 1.00 0.00 C ATOM 116 O SER A 8 -9.616 -2.119 -1.567 1.00 0.00 O ATOM 117 CB SER A 8 -10.951 -3.841 1.275 1.00 0.00 C ATOM 118 OG SER A 8 -10.506 -3.861 2.620 1.00 0.00 O ATOM 0 H SER A 8 -7.860 -3.194 1.039 1.00 0.00 H new ATOM 0 HA SER A 8 -9.329 -4.566 0.071 1.00 0.00 H new ATOM 0 HB2 SER A 8 -11.697 -3.056 1.147 1.00 0.00 H new ATOM 0 HB3 SER A 8 -11.439 -4.786 1.036 1.00 0.00 H new ATOM 0 HG SER A 8 -11.270 -4.012 3.215 1.00 0.00 H new ATOM 124 N SER A 9 -11.467 -3.390 -1.435 1.00 0.00 N ATOM 125 CA SER A 9 -12.048 -2.858 -2.663 1.00 0.00 C ATOM 126 C SER A 9 -12.999 -1.701 -2.364 1.00 0.00 C ATOM 127 O SER A 9 -13.948 -1.459 -3.110 1.00 0.00 O ATOM 128 CB SER A 9 -12.790 -3.960 -3.419 1.00 0.00 C ATOM 129 OG SER A 9 -14.065 -4.203 -2.849 1.00 0.00 O ATOM 0 H SER A 9 -12.039 -4.094 -0.968 1.00 0.00 H new ATOM 0 HA SER A 9 -11.235 -2.482 -3.285 1.00 0.00 H new ATOM 0 HB2 SER A 9 -12.905 -3.674 -4.464 1.00 0.00 H new ATOM 0 HB3 SER A 9 -12.200 -4.877 -3.402 1.00 0.00 H new ATOM 0 HG SER A 9 -14.519 -4.911 -3.352 1.00 0.00 H new ATOM 135 N GLN A 10 -12.738 -0.988 -1.272 1.00 0.00 N ATOM 136 CA GLN A 10 -13.571 0.142 -0.880 1.00 0.00 C ATOM 137 C GLN A 10 -13.342 1.334 -1.802 1.00 0.00 C ATOM 138 O GLN A 10 -12.594 1.244 -2.776 1.00 0.00 O ATOM 139 CB GLN A 10 -13.275 0.538 0.566 1.00 0.00 C ATOM 140 CG GLN A 10 -14.139 -0.189 1.578 1.00 0.00 C ATOM 141 CD GLN A 10 -15.204 0.703 2.186 1.00 0.00 C ATOM 142 OE1 GLN A 10 -14.897 1.670 2.883 1.00 0.00 O ATOM 143 NE2 GLN A 10 -16.465 0.381 1.923 1.00 0.00 N ATOM 0 H GLN A 10 -11.956 -1.174 -0.644 1.00 0.00 H new ATOM 0 HA GLN A 10 -14.615 -0.161 -0.963 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -12.226 0.336 0.783 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -13.422 1.612 0.678 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -14.617 -1.042 1.096 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -13.506 -0.585 2.372 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -16.673 -0.430 1.340 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -17.225 0.944 2.304 1.00 0.00 H new ATOM 152 N ALA A 11 -13.991 2.451 -1.489 1.00 0.00 N ATOM 153 CA ALA A 11 -13.858 3.662 -2.289 1.00 0.00 C ATOM 154 C ALA A 11 -12.512 4.342 -2.038 1.00 0.00 C ATOM 155 O ALA A 11 -12.257 4.840 -0.941 1.00 0.00 O ATOM 156 CB ALA A 11 -14.999 4.621 -1.981 1.00 0.00 C ATOM 0 H ALA A 11 -14.614 2.542 -0.687 1.00 0.00 H new ATOM 0 HA ALA A 11 -13.903 3.382 -3.341 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -14.890 5.522 -2.584 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -15.950 4.142 -2.214 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -14.976 4.887 -0.924 1.00 0.00 H new ATOM 162 N PRO A 12 -11.628 4.371 -3.053 1.00 0.00 N ATOM 163 CA PRO A 12 -10.303 4.992 -2.937 1.00 0.00 C ATOM 164 C PRO A 12 -10.336 6.330 -2.204 1.00 0.00 C ATOM 165 O PRO A 12 -11.397 6.935 -2.040 1.00 0.00 O ATOM 166 CB PRO A 12 -9.904 5.188 -4.395 1.00 0.00 C ATOM 167 CG PRO A 12 -10.512 4.018 -5.076 1.00 0.00 C ATOM 168 CD PRO A 12 -11.840 3.801 -4.399 1.00 0.00 C ATOM 0 HA PRO A 12 -9.610 4.383 -2.356 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -10.285 6.128 -4.793 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -8.821 5.206 -4.517 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -10.642 4.208 -6.141 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -9.877 3.137 -4.984 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -12.649 4.306 -4.927 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -12.101 2.744 -4.352 1.00 0.00 H new ATOM 176 N THR A 13 -9.169 6.787 -1.764 1.00 0.00 N ATOM 177 CA THR A 13 -9.063 8.053 -1.047 1.00 0.00 C ATOM 178 C THR A 13 -7.683 8.672 -1.240 1.00 0.00 C ATOM 179 O THR A 13 -6.746 8.002 -1.673 1.00 0.00 O ATOM 180 CB THR A 13 -9.339 7.844 0.444 1.00 0.00 C ATOM 181 OG1 THR A 13 -9.091 6.500 0.815 1.00 0.00 O ATOM 182 CG2 THR A 13 -10.762 8.174 0.839 1.00 0.00 C ATOM 0 H THR A 13 -8.282 6.299 -1.891 1.00 0.00 H new ATOM 0 HA THR A 13 -9.808 8.737 -1.454 1.00 0.00 H new ATOM 0 HB THR A 13 -8.667 8.527 0.963 1.00 0.00 H new ATOM 0 HG1 THR A 13 -9.271 6.386 1.772 1.00 0.00 H new ATOM 0 HG21 THR A 13 -10.891 8.005 1.908 1.00 0.00 H new ATOM 0 HG22 THR A 13 -10.970 9.219 0.609 1.00 0.00 H new ATOM 0 HG23 THR A 13 -11.451 7.536 0.285 1.00 0.00 H new ATOM 190 N THR A 14 -7.566 9.956 -0.917 1.00 0.00 N ATOM 191 CA THR A 14 -6.300 10.667 -1.055 1.00 0.00 C ATOM 192 C THR A 14 -6.032 11.544 0.163 1.00 0.00 C ATOM 193 O THR A 14 -6.843 12.401 0.514 1.00 0.00 O ATOM 194 CB THR A 14 -6.307 11.522 -2.322 1.00 0.00 C ATOM 195 OG1 THR A 14 -7.304 12.523 -2.245 1.00 0.00 O ATOM 196 CG2 THR A 14 -6.557 10.722 -3.583 1.00 0.00 C ATOM 0 H THR A 14 -8.332 10.525 -0.558 1.00 0.00 H new ATOM 0 HA THR A 14 -5.503 9.927 -1.129 1.00 0.00 H new ATOM 0 HB THR A 14 -5.311 11.960 -2.380 1.00 0.00 H new ATOM 0 HG1 THR A 14 -7.512 12.706 -1.305 1.00 0.00 H new ATOM 0 HG21 THR A 14 -6.549 11.389 -4.445 1.00 0.00 H new ATOM 0 HG22 THR A 14 -5.775 9.971 -3.698 1.00 0.00 H new ATOM 0 HG23 THR A 14 -7.527 10.229 -3.515 1.00 0.00 H new ATOM 204 N LYS A 15 -4.888 11.325 0.805 1.00 0.00 N ATOM 205 CA LYS A 15 -4.513 12.096 1.983 1.00 0.00 C ATOM 206 C LYS A 15 -2.998 12.266 2.062 1.00 0.00 C ATOM 207 O LYS A 15 -2.259 11.699 1.258 1.00 0.00 O ATOM 208 CB LYS A 15 -5.031 11.414 3.252 1.00 0.00 C ATOM 209 CG LYS A 15 -5.659 12.375 4.248 1.00 0.00 C ATOM 210 CD LYS A 15 -5.726 11.771 5.641 1.00 0.00 C ATOM 211 CE LYS A 15 -4.551 12.214 6.498 1.00 0.00 C ATOM 212 NZ LYS A 15 -4.714 13.612 6.984 1.00 0.00 N ATOM 0 H LYS A 15 -4.205 10.619 0.528 1.00 0.00 H new ATOM 0 HA LYS A 15 -4.967 13.084 1.900 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -5.767 10.660 2.974 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -4.206 10.891 3.736 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -5.080 13.298 4.278 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -6.663 12.639 3.916 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -6.659 12.065 6.121 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -5.734 10.684 5.567 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -4.450 11.543 7.351 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -3.630 12.136 5.920 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -3.779 14.022 7.182 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -5.193 14.179 6.256 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -5.284 13.613 7.854 1.00 0.00 H new ATOM 226 N THR A 16 -2.546 13.048 3.036 1.00 0.00 N ATOM 227 CA THR A 16 -1.119 13.290 3.219 1.00 0.00 C ATOM 228 C THR A 16 -0.590 12.532 4.433 1.00 0.00 C ATOM 229 O THR A 16 -1.305 12.337 5.416 1.00 0.00 O ATOM 230 CB THR A 16 -0.851 14.787 3.383 1.00 0.00 C ATOM 231 OG1 THR A 16 0.537 15.037 3.517 1.00 0.00 O ATOM 232 CG2 THR A 16 -1.545 15.393 4.583 1.00 0.00 C ATOM 0 H THR A 16 -3.145 13.524 3.710 1.00 0.00 H new ATOM 0 HA THR A 16 -0.598 12.929 2.332 1.00 0.00 H new ATOM 0 HB THR A 16 -1.251 15.251 2.481 1.00 0.00 H new ATOM 0 HG1 THR A 16 1.010 14.681 2.736 1.00 0.00 H new ATOM 0 HG21 THR A 16 -1.312 16.456 4.639 1.00 0.00 H new ATOM 0 HG22 THR A 16 -2.623 15.262 4.484 1.00 0.00 H new ATOM 0 HG23 THR A 16 -1.201 14.898 5.491 1.00 0.00 H new ATOM 240 N CYS A 17 0.666 12.106 4.357 1.00 0.00 N ATOM 241 CA CYS A 17 1.291 11.368 5.449 1.00 0.00 C ATOM 242 C CYS A 17 1.814 12.320 6.519 1.00 0.00 C ATOM 243 O CYS A 17 1.728 13.540 6.377 1.00 0.00 O ATOM 244 CB CYS A 17 2.435 10.501 4.919 1.00 0.00 C ATOM 245 SG CYS A 17 1.892 8.930 4.173 1.00 0.00 S ATOM 0 H CYS A 17 1.272 12.259 3.551 1.00 0.00 H new ATOM 0 HA CYS A 17 0.535 10.724 5.898 1.00 0.00 H new ATOM 0 HB2 CYS A 17 2.994 11.070 4.176 1.00 0.00 H new ATOM 0 HB3 CYS A 17 3.122 10.284 5.737 1.00 0.00 H new ATOM 250 N SER A 18 2.355 11.753 7.593 1.00 0.00 N ATOM 251 CA SER A 18 2.892 12.551 8.690 1.00 0.00 C ATOM 252 C SER A 18 4.187 13.242 8.278 1.00 0.00 C ATOM 253 O SER A 18 4.499 14.334 8.754 1.00 0.00 O ATOM 254 CB SER A 18 3.139 11.669 9.916 1.00 0.00 C ATOM 255 OG SER A 18 3.406 10.330 9.536 1.00 0.00 O ATOM 0 H SER A 18 2.433 10.745 7.727 1.00 0.00 H new ATOM 0 HA SER A 18 2.158 13.316 8.942 1.00 0.00 H new ATOM 0 HB2 SER A 18 3.980 12.063 10.488 1.00 0.00 H new ATOM 0 HB3 SER A 18 2.268 11.698 10.570 1.00 0.00 H new ATOM 0 HG SER A 18 3.562 9.788 10.337 1.00 0.00 H new ATOM 261 N GLY A 19 4.938 12.600 7.388 1.00 0.00 N ATOM 262 CA GLY A 19 6.191 13.168 6.928 1.00 0.00 C ATOM 263 C GLY A 19 7.220 12.106 6.592 1.00 0.00 C ATOM 264 O GLY A 19 8.386 12.223 6.967 1.00 0.00 O ATOM 0 H GLY A 19 4.701 11.697 6.978 1.00 0.00 H new ATOM 0 HA2 GLY A 19 6.006 13.782 6.047 1.00 0.00 H new ATOM 0 HA3 GLY A 19 6.592 13.827 7.698 1.00 0.00 H new ATOM 268 N GLU A 20 6.786 11.069 5.885 1.00 0.00 N ATOM 269 CA GLU A 20 7.677 9.980 5.499 1.00 0.00 C ATOM 270 C GLU A 20 8.443 10.331 4.227 1.00 0.00 C ATOM 271 O GLU A 20 8.368 11.458 3.736 1.00 0.00 O ATOM 272 CB GLU A 20 6.879 8.691 5.294 1.00 0.00 C ATOM 273 CG GLU A 20 6.941 7.746 6.483 1.00 0.00 C ATOM 274 CD GLU A 20 7.751 6.496 6.196 1.00 0.00 C ATOM 275 OE1 GLU A 20 8.658 6.562 5.339 1.00 0.00 O ATOM 276 OE2 GLU A 20 7.481 5.454 6.828 1.00 0.00 O ATOM 0 H GLU A 20 5.823 10.959 5.567 1.00 0.00 H new ATOM 0 HA GLU A 20 8.397 9.827 6.303 1.00 0.00 H new ATOM 0 HB2 GLU A 20 5.838 8.945 5.095 1.00 0.00 H new ATOM 0 HB3 GLU A 20 7.256 8.176 4.410 1.00 0.00 H new ATOM 0 HG2 GLU A 20 7.376 8.268 7.335 1.00 0.00 H new ATOM 0 HG3 GLU A 20 5.928 7.460 6.768 1.00 0.00 H new ATOM 283 N THR A 21 9.180 9.360 3.698 1.00 0.00 N ATOM 284 CA THR A 21 9.961 9.569 2.484 1.00 0.00 C ATOM 285 C THR A 21 9.283 8.927 1.278 1.00 0.00 C ATOM 286 O THR A 21 8.731 9.618 0.422 1.00 0.00 O ATOM 287 CB THR A 21 11.372 9.004 2.655 1.00 0.00 C ATOM 288 OG1 THR A 21 12.018 9.597 3.768 1.00 0.00 O ATOM 289 CG2 THR A 21 12.255 9.218 1.445 1.00 0.00 C ATOM 0 H THR A 21 9.253 8.421 4.090 1.00 0.00 H new ATOM 0 HA THR A 21 10.027 10.643 2.308 1.00 0.00 H new ATOM 0 HB THR A 21 11.237 7.932 2.800 1.00 0.00 H new ATOM 0 HG1 THR A 21 12.918 9.222 3.862 1.00 0.00 H new ATOM 0 HG21 THR A 21 13.241 8.793 1.634 1.00 0.00 H new ATOM 0 HG22 THR A 21 11.810 8.729 0.578 1.00 0.00 H new ATOM 0 HG23 THR A 21 12.352 10.286 1.249 1.00 0.00 H new ATOM 297 N ASN A 22 9.332 7.603 1.219 1.00 0.00 N ATOM 298 CA ASN A 22 8.725 6.861 0.115 1.00 0.00 C ATOM 299 C ASN A 22 7.539 6.036 0.602 1.00 0.00 C ATOM 300 O ASN A 22 7.552 5.504 1.712 1.00 0.00 O ATOM 301 CB ASN A 22 9.756 5.941 -0.555 1.00 0.00 C ATOM 302 CG ASN A 22 11.189 6.334 -0.250 1.00 0.00 C ATOM 303 OD1 ASN A 22 11.709 7.309 -0.795 1.00 0.00 O ATOM 304 ND2 ASN A 22 11.838 5.573 0.625 1.00 0.00 N ATOM 0 H ASN A 22 9.785 7.018 1.921 1.00 0.00 H new ATOM 0 HA ASN A 22 8.371 7.587 -0.617 1.00 0.00 H new ATOM 0 HB2 ASN A 22 9.588 4.916 -0.225 1.00 0.00 H new ATOM 0 HB3 ASN A 22 9.602 5.958 -1.634 1.00 0.00 H new ATOM 0 HD21 ASN A 22 12.805 5.787 0.869 1.00 0.00 H new ATOM 0 HD22 ASN A 22 11.369 4.775 1.053 1.00 0.00 H new ATOM 311 N CYS A 23 6.515 5.928 -0.240 1.00 0.00 N ATOM 312 CA CYS A 23 5.325 5.170 0.090 1.00 0.00 C ATOM 313 C CYS A 23 5.485 3.721 -0.341 1.00 0.00 C ATOM 314 O CYS A 23 6.585 3.277 -0.666 1.00 0.00 O ATOM 315 CB CYS A 23 4.117 5.777 -0.614 1.00 0.00 C ATOM 316 SG CYS A 23 4.038 7.595 -0.546 1.00 0.00 S ATOM 0 H CYS A 23 6.492 6.362 -1.163 1.00 0.00 H new ATOM 0 HA CYS A 23 5.176 5.205 1.169 1.00 0.00 H new ATOM 0 HB2 CYS A 23 4.126 5.465 -1.658 1.00 0.00 H new ATOM 0 HB3 CYS A 23 3.210 5.370 -0.168 1.00 0.00 H new ATOM 321 N TYR A 24 4.379 2.988 -0.354 1.00 0.00 N ATOM 322 CA TYR A 24 4.405 1.596 -0.764 1.00 0.00 C ATOM 323 C TYR A 24 3.023 1.106 -1.160 1.00 0.00 C ATOM 324 O TYR A 24 2.014 1.775 -0.932 1.00 0.00 O ATOM 325 CB TYR A 24 4.965 0.710 0.346 1.00 0.00 C ATOM 326 CG TYR A 24 4.218 0.825 1.657 1.00 0.00 C ATOM 327 CD1 TYR A 24 2.993 0.196 1.836 1.00 0.00 C ATOM 328 CD2 TYR A 24 4.741 1.557 2.715 1.00 0.00 C ATOM 329 CE1 TYR A 24 2.309 0.295 3.033 1.00 0.00 C ATOM 330 CE2 TYR A 24 4.064 1.660 3.915 1.00 0.00 C ATOM 331 CZ TYR A 24 2.849 1.028 4.068 1.00 0.00 C ATOM 332 OH TYR A 24 2.171 1.129 5.262 1.00 0.00 O ATOM 0 H TYR A 24 3.458 3.335 -0.086 1.00 0.00 H new ATOM 0 HA TYR A 24 5.057 1.531 -1.635 1.00 0.00 H new ATOM 0 HB2 TYR A 24 4.942 -0.328 0.015 1.00 0.00 H new ATOM 0 HB3 TYR A 24 6.011 0.968 0.511 1.00 0.00 H new ATOM 0 HD1 TYR A 24 2.568 -0.380 1.027 1.00 0.00 H new ATOM 0 HD2 TYR A 24 5.693 2.054 2.598 1.00 0.00 H new ATOM 0 HE1 TYR A 24 1.357 -0.199 3.157 1.00 0.00 H new ATOM 0 HE2 TYR A 24 4.485 2.233 4.728 1.00 0.00 H new ATOM 0 HH TYR A 24 2.394 1.980 5.694 1.00 0.00 H new ATOM 342 N LYS A 25 3.000 -0.081 -1.737 1.00 0.00 N ATOM 343 CA LYS A 25 1.764 -0.713 -2.164 1.00 0.00 C ATOM 344 C LYS A 25 1.931 -2.222 -2.109 1.00 0.00 C ATOM 345 O LYS A 25 2.792 -2.788 -2.782 1.00 0.00 O ATOM 346 CB LYS A 25 1.379 -0.267 -3.577 1.00 0.00 C ATOM 347 CG LYS A 25 -0.119 -0.098 -3.771 1.00 0.00 C ATOM 348 CD LYS A 25 -0.746 -1.343 -4.382 1.00 0.00 C ATOM 349 CE LYS A 25 -1.198 -1.095 -5.812 1.00 0.00 C ATOM 350 NZ LYS A 25 -1.318 -2.363 -6.585 1.00 0.00 N ATOM 0 H LYS A 25 3.836 -0.634 -1.923 1.00 0.00 H new ATOM 0 HA LYS A 25 0.960 -0.411 -1.493 1.00 0.00 H new ATOM 0 HB2 LYS A 25 1.875 0.678 -3.799 1.00 0.00 H new ATOM 0 HB3 LYS A 25 1.750 -0.999 -4.295 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -0.590 0.114 -2.811 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -0.309 0.760 -4.416 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -0.026 -2.161 -4.364 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -1.598 -1.656 -3.779 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -2.160 -0.582 -5.805 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -0.487 -0.434 -6.308 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -0.977 -2.211 -7.556 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -0.747 -3.103 -6.129 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -2.314 -2.661 -6.611 1.00 0.00 H new ATOM 364 N LYS A 26 1.128 -2.868 -1.276 1.00 0.00 N ATOM 365 CA LYS A 26 1.214 -4.311 -1.111 1.00 0.00 C ATOM 366 C LYS A 26 -0.082 -4.998 -1.506 1.00 0.00 C ATOM 367 O LYS A 26 -1.161 -4.417 -1.422 1.00 0.00 O ATOM 368 CB LYS A 26 1.556 -4.660 0.341 1.00 0.00 C ATOM 369 CG LYS A 26 1.263 -3.547 1.336 1.00 0.00 C ATOM 370 CD LYS A 26 1.333 -4.046 2.769 1.00 0.00 C ATOM 371 CE LYS A 26 0.946 -2.957 3.758 1.00 0.00 C ATOM 372 NZ LYS A 26 1.008 -3.438 5.166 1.00 0.00 N ATOM 0 H LYS A 26 0.412 -2.417 -0.706 1.00 0.00 H new ATOM 0 HA LYS A 26 2.005 -4.669 -1.770 1.00 0.00 H new ATOM 0 HB2 LYS A 26 0.995 -5.548 0.631 1.00 0.00 H new ATOM 0 HB3 LYS A 26 2.614 -4.917 0.402 1.00 0.00 H new ATOM 0 HG2 LYS A 26 1.978 -2.736 1.197 1.00 0.00 H new ATOM 0 HG3 LYS A 26 0.273 -3.135 1.141 1.00 0.00 H new ATOM 0 HD2 LYS A 26 0.669 -4.902 2.890 1.00 0.00 H new ATOM 0 HD3 LYS A 26 2.343 -4.393 2.986 1.00 0.00 H new ATOM 0 HE2 LYS A 26 1.612 -2.103 3.637 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -0.063 -2.608 3.538 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 1.438 -2.704 5.765 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 0.047 -3.643 5.505 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 1.583 -4.303 5.212 1.00 0.00 H new ATOM 386 N TRP A 27 0.039 -6.251 -1.919 1.00 0.00 N ATOM 387 CA TRP A 27 -1.122 -7.040 -2.306 1.00 0.00 C ATOM 388 C TRP A 27 -0.815 -8.524 -2.264 1.00 0.00 C ATOM 389 O TRP A 27 0.345 -8.934 -2.225 1.00 0.00 O ATOM 390 CB TRP A 27 -1.618 -6.670 -3.701 1.00 0.00 C ATOM 391 CG TRP A 27 -0.582 -6.754 -4.758 1.00 0.00 C ATOM 392 CD1 TRP A 27 -0.417 -7.782 -5.611 1.00 0.00 C ATOM 393 CD2 TRP A 27 0.410 -5.776 -5.097 1.00 0.00 C ATOM 394 NE1 TRP A 27 0.622 -7.530 -6.461 1.00 0.00 N ATOM 395 CE2 TRP A 27 1.151 -6.303 -6.168 1.00 0.00 C ATOM 396 CE3 TRP A 27 0.750 -4.511 -4.600 1.00 0.00 C ATOM 397 CZ2 TRP A 27 2.209 -5.615 -6.755 1.00 0.00 C ATOM 398 CZ3 TRP A 27 1.800 -3.829 -5.186 1.00 0.00 C ATOM 399 CH2 TRP A 27 2.518 -4.382 -6.254 1.00 0.00 C ATOM 0 H TRP A 27 0.929 -6.743 -1.995 1.00 0.00 H new ATOM 0 HA TRP A 27 -1.907 -6.814 -1.584 1.00 0.00 H new ATOM 0 HB2 TRP A 27 -2.445 -7.328 -3.966 1.00 0.00 H new ATOM 0 HB3 TRP A 27 -2.014 -5.655 -3.676 1.00 0.00 H new ATOM 0 HD1 TRP A 27 -1.020 -8.678 -5.622 1.00 0.00 H new ATOM 0 HE1 TRP A 27 0.951 -8.156 -7.196 1.00 0.00 H new ATOM 0 HE3 TRP A 27 0.203 -4.077 -3.776 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 2.766 -6.040 -7.577 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 2.072 -2.852 -4.814 1.00 0.00 H new ATOM 0 HH2 TRP A 27 3.332 -3.822 -6.690 1.00 0.00 H new ATOM 410 N TRP A 28 -1.870 -9.323 -2.272 1.00 0.00 N ATOM 411 CA TRP A 28 -1.728 -10.771 -2.236 1.00 0.00 C ATOM 412 C TRP A 28 -2.993 -11.456 -2.735 1.00 0.00 C ATOM 413 O TRP A 28 -3.991 -10.801 -3.043 1.00 0.00 O ATOM 414 CB TRP A 28 -1.432 -11.227 -0.813 1.00 0.00 C ATOM 415 CG TRP A 28 -2.425 -10.715 0.159 1.00 0.00 C ATOM 416 CD1 TRP A 28 -3.578 -11.323 0.526 1.00 0.00 C ATOM 417 CD2 TRP A 28 -2.363 -9.482 0.882 1.00 0.00 C ATOM 418 NE1 TRP A 28 -4.241 -10.550 1.432 1.00 0.00 N ATOM 419 CE2 TRP A 28 -3.518 -9.414 1.673 1.00 0.00 C ATOM 420 CE3 TRP A 28 -1.443 -8.431 0.942 1.00 0.00 C ATOM 421 CZ2 TRP A 28 -3.787 -8.340 2.515 1.00 0.00 C ATOM 422 CZ3 TRP A 28 -1.707 -7.362 1.777 1.00 0.00 C ATOM 423 CH2 TRP A 28 -2.872 -7.325 2.555 1.00 0.00 C ATOM 0 H TRP A 28 -2.835 -8.994 -2.303 1.00 0.00 H new ATOM 0 HA TRP A 28 -0.902 -11.048 -2.891 1.00 0.00 H new ATOM 0 HB2 TRP A 28 -1.421 -12.316 -0.778 1.00 0.00 H new ATOM 0 HB3 TRP A 28 -0.437 -10.888 -0.525 1.00 0.00 H new ATOM 0 HD1 TRP A 28 -3.921 -12.278 0.156 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -5.136 -10.782 1.863 1.00 0.00 H new ATOM 0 HE3 TRP A 28 -0.542 -8.454 0.347 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -4.685 -8.309 3.115 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 -1.005 -6.543 1.831 1.00 0.00 H new ATOM 0 HH2 TRP A 28 -3.051 -6.477 3.200 1.00 0.00 H new ATOM 434 N SER A 29 -2.942 -12.781 -2.799 1.00 0.00 N ATOM 435 CA SER A 29 -4.077 -13.577 -3.248 1.00 0.00 C ATOM 436 C SER A 29 -4.094 -14.928 -2.541 1.00 0.00 C ATOM 437 O SER A 29 -3.647 -15.934 -3.092 1.00 0.00 O ATOM 438 CB SER A 29 -4.019 -13.779 -4.763 1.00 0.00 C ATOM 439 OG SER A 29 -5.318 -13.761 -5.330 1.00 0.00 O ATOM 0 H SER A 29 -2.121 -13.330 -2.544 1.00 0.00 H new ATOM 0 HA SER A 29 -4.993 -13.041 -2.999 1.00 0.00 H new ATOM 0 HB2 SER A 29 -3.411 -12.995 -5.215 1.00 0.00 H new ATOM 0 HB3 SER A 29 -3.534 -14.729 -4.988 1.00 0.00 H new ATOM 0 HG SER A 29 -5.254 -13.890 -6.299 1.00 0.00 H new ATOM 445 N ASP A 30 -4.606 -14.941 -1.315 1.00 0.00 N ATOM 446 CA ASP A 30 -4.671 -16.167 -0.527 1.00 0.00 C ATOM 447 C ASP A 30 -6.107 -16.674 -0.418 1.00 0.00 C ATOM 448 O ASP A 30 -6.976 -16.279 -1.196 1.00 0.00 O ATOM 449 CB ASP A 30 -4.091 -15.928 0.869 1.00 0.00 C ATOM 450 CG ASP A 30 -3.257 -17.097 1.357 1.00 0.00 C ATOM 451 OD1 ASP A 30 -2.700 -17.824 0.508 1.00 0.00 O ATOM 452 OD2 ASP A 30 -3.162 -17.285 2.589 1.00 0.00 O ATOM 0 H ASP A 30 -4.982 -14.117 -0.845 1.00 0.00 H new ATOM 0 HA ASP A 30 -4.079 -16.928 -1.035 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -3.477 -15.028 0.855 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -4.905 -15.748 1.571 1.00 0.00 H new ATOM 457 N HIS A 31 -6.349 -17.552 0.553 1.00 0.00 N ATOM 458 CA HIS A 31 -7.678 -18.115 0.767 1.00 0.00 C ATOM 459 C HIS A 31 -8.721 -17.010 0.909 1.00 0.00 C ATOM 460 O HIS A 31 -9.790 -17.068 0.301 1.00 0.00 O ATOM 461 CB HIS A 31 -7.686 -19.001 2.012 1.00 0.00 C ATOM 462 CG HIS A 31 -7.252 -18.289 3.257 1.00 0.00 C ATOM 463 ND1 HIS A 31 -5.929 -18.053 3.567 1.00 0.00 N ATOM 464 CD2 HIS A 31 -7.975 -17.760 4.273 1.00 0.00 C ATOM 465 CE1 HIS A 31 -5.857 -17.411 4.719 1.00 0.00 C ATOM 466 NE2 HIS A 31 -7.084 -17.220 5.167 1.00 0.00 N ATOM 0 H HIS A 31 -5.640 -17.889 1.204 1.00 0.00 H new ATOM 0 HA HIS A 31 -7.932 -18.721 -0.103 1.00 0.00 H new ATOM 0 HB2 HIS A 31 -8.691 -19.396 2.161 1.00 0.00 H new ATOM 0 HB3 HIS A 31 -7.030 -19.855 1.844 1.00 0.00 H new ATOM 0 HD1 HIS A 31 -5.131 -18.331 2.996 1.00 0.00 H new ATOM 0 HD2 HIS A 31 -9.051 -17.763 4.363 1.00 0.00 H new ATOM 0 HE1 HIS A 31 -4.949 -17.096 5.211 1.00 0.00 H new ATOM 475 N ARG A 32 -8.399 -16.000 1.712 1.00 0.00 N ATOM 476 CA ARG A 32 -9.304 -14.879 1.929 1.00 0.00 C ATOM 477 C ARG A 32 -9.631 -14.183 0.610 1.00 0.00 C ATOM 478 O ARG A 32 -10.676 -13.547 0.475 1.00 0.00 O ATOM 479 CB ARG A 32 -8.684 -13.879 2.905 1.00 0.00 C ATOM 480 CG ARG A 32 -9.011 -14.168 4.361 1.00 0.00 C ATOM 481 CD ARG A 32 -8.275 -13.220 5.295 1.00 0.00 C ATOM 482 NE ARG A 32 -8.162 -13.760 6.649 1.00 0.00 N ATOM 483 CZ ARG A 32 -7.572 -13.120 7.655 1.00 0.00 C ATOM 484 NH1 ARG A 32 -7.040 -11.919 7.466 1.00 0.00 N ATOM 485 NH2 ARG A 32 -7.513 -13.683 8.855 1.00 0.00 N ATOM 0 H ARG A 32 -7.518 -15.936 2.222 1.00 0.00 H new ATOM 0 HA ARG A 32 -10.229 -15.267 2.355 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -7.602 -13.882 2.777 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -9.032 -12.877 2.655 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -10.085 -14.075 4.519 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -8.741 -15.197 4.598 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -7.279 -13.023 4.899 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -8.799 -12.265 5.329 1.00 0.00 H new ATOM 0 HE ARG A 32 -8.559 -14.681 6.833 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -7.082 -11.482 6.545 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -6.589 -11.433 8.241 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -7.920 -14.606 9.006 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -7.061 -13.193 9.627 1.00 0.00 H new ATOM 499 N GLY A 33 -8.730 -14.309 -0.360 1.00 0.00 N ATOM 500 CA GLY A 33 -8.939 -13.689 -1.654 1.00 0.00 C ATOM 501 C GLY A 33 -7.828 -12.724 -2.018 1.00 0.00 C ATOM 502 O GLY A 33 -6.692 -12.875 -1.565 1.00 0.00 O ATOM 0 H GLY A 33 -7.858 -14.831 -0.271 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -9.009 -14.463 -2.418 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -9.891 -13.158 -1.650 1.00 0.00 H new ATOM 506 N THR A 34 -8.154 -11.732 -2.838 1.00 0.00 N ATOM 507 CA THR A 34 -7.177 -10.736 -3.261 1.00 0.00 C ATOM 508 C THR A 34 -7.368 -9.433 -2.493 1.00 0.00 C ATOM 509 O THR A 34 -8.480 -8.912 -2.403 1.00 0.00 O ATOM 510 CB THR A 34 -7.297 -10.480 -4.765 1.00 0.00 C ATOM 511 OG1 THR A 34 -7.518 -11.693 -5.463 1.00 0.00 O ATOM 512 CG2 THR A 34 -6.071 -9.824 -5.360 1.00 0.00 C ATOM 0 H THR A 34 -9.088 -11.596 -3.224 1.00 0.00 H new ATOM 0 HA THR A 34 -6.181 -11.122 -3.046 1.00 0.00 H new ATOM 0 HB THR A 34 -8.142 -9.800 -4.876 1.00 0.00 H new ATOM 0 HG1 THR A 34 -6.742 -12.281 -5.350 1.00 0.00 H new ATOM 0 HG21 THR A 34 -6.223 -9.671 -6.429 1.00 0.00 H new ATOM 0 HG22 THR A 34 -5.902 -8.862 -4.876 1.00 0.00 H new ATOM 0 HG23 THR A 34 -5.204 -10.466 -5.205 1.00 0.00 H new ATOM 520 N ILE A 35 -6.279 -8.909 -1.939 1.00 0.00 N ATOM 521 CA ILE A 35 -6.336 -7.666 -1.177 1.00 0.00 C ATOM 522 C ILE A 35 -5.126 -6.783 -1.466 1.00 0.00 C ATOM 523 O ILE A 35 -4.064 -7.275 -1.846 1.00 0.00 O ATOM 524 CB ILE A 35 -6.409 -7.934 0.338 1.00 0.00 C ATOM 525 CG1 ILE A 35 -7.472 -8.991 0.642 1.00 0.00 C ATOM 526 CG2 ILE A 35 -6.705 -6.645 1.091 1.00 0.00 C ATOM 527 CD1 ILE A 35 -7.533 -9.384 2.102 1.00 0.00 C ATOM 0 H ILE A 35 -5.349 -9.324 -2.003 1.00 0.00 H new ATOM 0 HA ILE A 35 -7.243 -7.149 -1.491 1.00 0.00 H new ATOM 0 HB ILE A 35 -5.443 -8.313 0.671 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -8.447 -8.613 0.335 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -7.271 -9.879 0.043 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -6.753 -6.851 2.160 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -5.914 -5.920 0.897 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -7.660 -6.239 0.756 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -8.308 -10.137 2.244 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -6.570 -9.792 2.409 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -7.764 -8.506 2.706 1.00 0.00 H new ATOM 539 N ILE A 36 -5.298 -5.475 -1.287 1.00 0.00 N ATOM 540 CA ILE A 36 -4.221 -4.521 -1.533 1.00 0.00 C ATOM 541 C ILE A 36 -4.226 -3.399 -0.495 1.00 0.00 C ATOM 542 O ILE A 36 -5.252 -2.756 -0.272 1.00 0.00 O ATOM 543 CB ILE A 36 -4.341 -3.903 -2.944 1.00 0.00 C ATOM 544 CG1 ILE A 36 -5.622 -3.070 -3.059 1.00 0.00 C ATOM 545 CG2 ILE A 36 -4.315 -4.993 -4.006 1.00 0.00 C ATOM 546 CD1 ILE A 36 -5.871 -2.528 -4.451 1.00 0.00 C ATOM 0 H ILE A 36 -6.172 -5.053 -0.973 1.00 0.00 H new ATOM 0 HA ILE A 36 -3.283 -5.071 -1.458 1.00 0.00 H new ATOM 0 HB ILE A 36 -3.488 -3.244 -3.106 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -6.472 -3.683 -2.760 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -5.568 -2.237 -2.358 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -4.401 -4.541 -4.994 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -3.377 -5.544 -3.939 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -5.149 -5.676 -3.847 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -6.795 -1.949 -4.456 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -5.040 -1.888 -4.746 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -5.958 -3.357 -5.154 1.00 0.00 H new ATOM 558 N GLU A 37 -3.076 -3.160 0.137 1.00 0.00 N ATOM 559 CA GLU A 37 -2.965 -2.106 1.141 1.00 0.00 C ATOM 560 C GLU A 37 -1.876 -1.107 0.760 1.00 0.00 C ATOM 561 O GLU A 37 -1.036 -1.385 -0.095 1.00 0.00 O ATOM 562 CB GLU A 37 -2.674 -2.697 2.527 1.00 0.00 C ATOM 563 CG GLU A 37 -2.106 -4.107 2.496 1.00 0.00 C ATOM 564 CD GLU A 37 -1.606 -4.564 3.854 1.00 0.00 C ATOM 565 OE1 GLU A 37 -1.712 -3.780 4.822 1.00 0.00 O ATOM 566 OE2 GLU A 37 -1.107 -5.705 3.951 1.00 0.00 O ATOM 0 H GLU A 37 -2.214 -3.680 -0.029 1.00 0.00 H new ATOM 0 HA GLU A 37 -3.921 -1.583 1.181 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -1.972 -2.046 3.047 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -3.596 -2.701 3.109 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -2.874 -4.796 2.145 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -1.287 -4.149 1.778 1.00 0.00 H new ATOM 573 N ARG A 38 -1.900 0.059 1.399 1.00 0.00 N ATOM 574 CA ARG A 38 -0.917 1.103 1.124 1.00 0.00 C ATOM 575 C ARG A 38 -0.440 1.762 2.415 1.00 0.00 C ATOM 576 O ARG A 38 -0.806 1.342 3.512 1.00 0.00 O ATOM 577 CB ARG A 38 -1.511 2.162 0.195 1.00 0.00 C ATOM 578 CG ARG A 38 -2.075 1.594 -1.099 1.00 0.00 C ATOM 579 CD ARG A 38 -3.559 1.893 -1.241 1.00 0.00 C ATOM 580 NE ARG A 38 -3.996 1.835 -2.633 1.00 0.00 N ATOM 581 CZ ARG A 38 -4.099 0.707 -3.331 1.00 0.00 C ATOM 582 NH1 ARG A 38 -3.801 -0.458 -2.769 1.00 0.00 N ATOM 583 NH2 ARG A 38 -4.502 0.743 -4.594 1.00 0.00 N ATOM 0 H ARG A 38 -2.589 0.305 2.110 1.00 0.00 H new ATOM 0 HA ARG A 38 -0.061 0.635 0.637 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -2.302 2.693 0.723 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -0.741 2.895 -0.046 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -1.536 2.015 -1.947 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -1.916 0.516 -1.124 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -4.131 1.177 -0.651 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -3.770 2.882 -0.835 1.00 0.00 H new ATOM 0 HE ARG A 38 -4.236 2.711 -3.098 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -3.491 -0.491 -1.798 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -3.882 -1.320 -3.308 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -4.733 1.636 -5.030 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -4.581 -0.122 -5.129 1.00 0.00 H new ATOM 597 N GLY A 39 0.379 2.801 2.273 1.00 0.00 N ATOM 598 CA GLY A 39 0.895 3.506 3.431 1.00 0.00 C ATOM 599 C GLY A 39 2.151 4.294 3.113 1.00 0.00 C ATOM 600 O GLY A 39 2.436 4.575 1.949 1.00 0.00 O ATOM 0 H GLY A 39 0.694 3.167 1.374 1.00 0.00 H new ATOM 0 HA2 GLY A 39 0.130 4.183 3.812 1.00 0.00 H new ATOM 0 HA3 GLY A 39 1.109 2.790 4.224 1.00 0.00 H new ATOM 604 N CYS A 40 2.903 4.652 4.148 1.00 0.00 N ATOM 605 CA CYS A 40 4.134 5.412 3.970 1.00 0.00 C ATOM 606 C CYS A 40 5.326 4.669 4.567 1.00 0.00 C ATOM 607 O CYS A 40 5.314 4.296 5.740 1.00 0.00 O ATOM 608 CB CYS A 40 4.001 6.793 4.614 1.00 0.00 C ATOM 609 SG CYS A 40 3.605 8.126 3.437 1.00 0.00 S ATOM 0 H CYS A 40 2.682 4.428 5.118 1.00 0.00 H new ATOM 0 HA CYS A 40 4.306 5.533 2.900 1.00 0.00 H new ATOM 0 HB2 CYS A 40 3.223 6.753 5.377 1.00 0.00 H new ATOM 0 HB3 CYS A 40 4.934 7.037 5.122 1.00 0.00 H new ATOM 614 N GLY A 41 6.354 4.457 3.752 1.00 0.00 N ATOM 615 CA GLY A 41 7.540 3.760 4.215 1.00 0.00 C ATOM 616 C GLY A 41 8.027 2.723 3.221 1.00 0.00 C ATOM 617 O GLY A 41 7.708 2.793 2.034 1.00 0.00 O ATOM 0 H GLY A 41 6.387 4.756 2.777 1.00 0.00 H new ATOM 0 HA2 GLY A 41 8.334 4.483 4.400 1.00 0.00 H new ATOM 0 HA3 GLY A 41 7.324 3.274 5.166 1.00 0.00 H new ATOM 621 N CYS A 42 8.805 1.759 3.706 1.00 0.00 N ATOM 622 CA CYS A 42 9.336 0.704 2.851 1.00 0.00 C ATOM 623 C CYS A 42 9.763 -0.507 3.679 1.00 0.00 C ATOM 624 O CYS A 42 10.928 -0.906 3.657 1.00 0.00 O ATOM 625 CB CYS A 42 10.521 1.228 2.035 1.00 0.00 C ATOM 626 SG CYS A 42 11.048 0.112 0.694 1.00 0.00 S ATOM 0 H CYS A 42 9.081 1.688 4.685 1.00 0.00 H new ATOM 0 HA CYS A 42 8.546 0.391 2.168 1.00 0.00 H new ATOM 0 HB2 CYS A 42 10.255 2.194 1.606 1.00 0.00 H new ATOM 0 HB3 CYS A 42 11.364 1.398 2.705 1.00 0.00 H new ATOM 631 N PRO A 43 8.821 -1.108 4.425 1.00 0.00 N ATOM 632 CA PRO A 43 9.101 -2.274 5.264 1.00 0.00 C ATOM 633 C PRO A 43 9.142 -3.571 4.463 1.00 0.00 C ATOM 634 O PRO A 43 8.953 -3.569 3.247 1.00 0.00 O ATOM 635 CB PRO A 43 7.923 -2.283 6.235 1.00 0.00 C ATOM 636 CG PRO A 43 6.794 -1.700 5.456 1.00 0.00 C ATOM 637 CD PRO A 43 7.406 -0.693 4.514 1.00 0.00 C ATOM 0 HA PRO A 43 10.077 -2.212 5.746 1.00 0.00 H new ATOM 0 HB2 PRO A 43 7.693 -3.294 6.571 1.00 0.00 H new ATOM 0 HB3 PRO A 43 8.138 -1.692 7.125 1.00 0.00 H new ATOM 0 HG2 PRO A 43 6.261 -2.475 4.905 1.00 0.00 H new ATOM 0 HG3 PRO A 43 6.070 -1.224 6.117 1.00 0.00 H new ATOM 0 HD2 PRO A 43 6.921 -0.712 3.538 1.00 0.00 H new ATOM 0 HD3 PRO A 43 7.310 0.323 4.897 1.00 0.00 H new ATOM 645 N LYS A 44 9.389 -4.680 5.155 1.00 0.00 N ATOM 646 CA LYS A 44 9.454 -5.987 4.509 1.00 0.00 C ATOM 647 C LYS A 44 8.177 -6.781 4.765 1.00 0.00 C ATOM 648 O LYS A 44 7.237 -6.280 5.382 1.00 0.00 O ATOM 649 CB LYS A 44 10.666 -6.770 5.018 1.00 0.00 C ATOM 650 CG LYS A 44 11.929 -6.532 4.206 1.00 0.00 C ATOM 651 CD LYS A 44 13.147 -6.375 5.101 1.00 0.00 C ATOM 652 CE LYS A 44 13.084 -5.087 5.908 1.00 0.00 C ATOM 653 NZ LYS A 44 13.888 -5.175 7.158 1.00 0.00 N ATOM 0 H LYS A 44 9.547 -4.699 6.162 1.00 0.00 H new ATOM 0 HA LYS A 44 9.556 -5.831 3.435 1.00 0.00 H new ATOM 0 HB2 LYS A 44 10.855 -6.497 6.056 1.00 0.00 H new ATOM 0 HB3 LYS A 44 10.432 -7.834 5.006 1.00 0.00 H new ATOM 0 HG2 LYS A 44 12.085 -7.366 3.521 1.00 0.00 H new ATOM 0 HG3 LYS A 44 11.807 -5.637 3.596 1.00 0.00 H new ATOM 0 HD2 LYS A 44 13.215 -7.227 5.778 1.00 0.00 H new ATOM 0 HD3 LYS A 44 14.051 -6.380 4.492 1.00 0.00 H new ATOM 0 HE2 LYS A 44 13.448 -4.259 5.300 1.00 0.00 H new ATOM 0 HE3 LYS A 44 12.046 -4.866 6.159 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 13.819 -4.278 7.679 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 13.525 -5.948 7.751 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 14.883 -5.360 6.919 1.00 0.00 H new ATOM 667 N VAL A 45 8.149 -8.021 4.287 1.00 0.00 N ATOM 668 CA VAL A 45 6.985 -8.881 4.467 1.00 0.00 C ATOM 669 C VAL A 45 7.378 -10.355 4.457 1.00 0.00 C ATOM 670 O VAL A 45 8.543 -10.697 4.255 1.00 0.00 O ATOM 671 CB VAL A 45 5.930 -8.635 3.372 1.00 0.00 C ATOM 672 CG1 VAL A 45 5.201 -7.324 3.617 1.00 0.00 C ATOM 673 CG2 VAL A 45 6.576 -8.645 1.995 1.00 0.00 C ATOM 0 H VAL A 45 8.917 -8.452 3.773 1.00 0.00 H new ATOM 0 HA VAL A 45 6.557 -8.631 5.438 1.00 0.00 H new ATOM 0 HB VAL A 45 5.199 -9.443 3.411 1.00 0.00 H new ATOM 0 HG11 VAL A 45 4.460 -7.168 2.833 1.00 0.00 H new ATOM 0 HG12 VAL A 45 4.703 -7.360 4.586 1.00 0.00 H new ATOM 0 HG13 VAL A 45 5.917 -6.502 3.608 1.00 0.00 H new ATOM 0 HG21 VAL A 45 5.815 -8.470 1.235 1.00 0.00 H new ATOM 0 HG22 VAL A 45 7.330 -7.860 1.941 1.00 0.00 H new ATOM 0 HG23 VAL A 45 7.046 -9.613 1.821 1.00 0.00 H new ATOM 683 N LYS A 46 6.396 -11.221 4.682 1.00 0.00 N ATOM 684 CA LYS A 46 6.624 -12.652 4.707 1.00 0.00 C ATOM 685 C LYS A 46 6.701 -13.218 3.289 1.00 0.00 C ATOM 686 O LYS A 46 6.418 -12.514 2.319 1.00 0.00 O ATOM 687 CB LYS A 46 5.507 -13.345 5.493 1.00 0.00 C ATOM 688 CG LYS A 46 5.779 -13.429 6.987 1.00 0.00 C ATOM 689 CD LYS A 46 6.148 -14.841 7.412 1.00 0.00 C ATOM 690 CE LYS A 46 4.911 -15.689 7.667 1.00 0.00 C ATOM 691 NZ LYS A 46 4.638 -16.626 6.542 1.00 0.00 N ATOM 0 H LYS A 46 5.428 -10.948 4.851 1.00 0.00 H new ATOM 0 HA LYS A 46 7.578 -12.840 5.199 1.00 0.00 H new ATOM 0 HB2 LYS A 46 4.573 -12.808 5.331 1.00 0.00 H new ATOM 0 HB3 LYS A 46 5.368 -14.352 5.100 1.00 0.00 H new ATOM 0 HG2 LYS A 46 6.588 -12.747 7.249 1.00 0.00 H new ATOM 0 HG3 LYS A 46 4.896 -13.102 7.537 1.00 0.00 H new ATOM 0 HD2 LYS A 46 6.757 -15.308 6.637 1.00 0.00 H new ATOM 0 HD3 LYS A 46 6.756 -14.803 8.316 1.00 0.00 H new ATOM 0 HE2 LYS A 46 5.044 -16.257 8.588 1.00 0.00 H new ATOM 0 HE3 LYS A 46 4.049 -15.038 7.815 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 3.958 -17.350 6.850 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 4.241 -16.098 5.739 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 5.524 -17.085 6.250 1.00 0.00 H new ATOM 705 N PRO A 47 7.081 -14.501 3.147 1.00 0.00 N ATOM 706 CA PRO A 47 7.185 -15.141 1.847 1.00 0.00 C ATOM 707 C PRO A 47 5.824 -15.562 1.305 1.00 0.00 C ATOM 708 O PRO A 47 5.435 -16.727 1.401 1.00 0.00 O ATOM 709 CB PRO A 47 8.068 -16.365 2.105 1.00 0.00 C ATOM 710 CG PRO A 47 8.159 -16.546 3.575 1.00 0.00 C ATOM 711 CD PRO A 47 7.429 -15.416 4.238 1.00 0.00 C ATOM 0 HA PRO A 47 7.597 -14.467 1.096 1.00 0.00 H new ATOM 0 HB2 PRO A 47 7.642 -17.251 1.635 1.00 0.00 H new ATOM 0 HB3 PRO A 47 9.059 -16.221 1.674 1.00 0.00 H new ATOM 0 HG2 PRO A 47 7.724 -17.502 3.867 1.00 0.00 H new ATOM 0 HG3 PRO A 47 9.202 -16.561 3.891 1.00 0.00 H new ATOM 0 HD2 PRO A 47 6.538 -15.771 4.756 1.00 0.00 H new ATOM 0 HD3 PRO A 47 8.055 -14.924 4.982 1.00 0.00 H new ATOM 719 N GLY A 48 5.105 -14.601 0.734 1.00 0.00 N ATOM 720 CA GLY A 48 3.792 -14.877 0.182 1.00 0.00 C ATOM 721 C GLY A 48 3.044 -13.608 -0.174 1.00 0.00 C ATOM 722 O GLY A 48 2.268 -13.580 -1.128 1.00 0.00 O ATOM 0 H GLY A 48 5.410 -13.632 0.644 1.00 0.00 H new ATOM 0 HA2 GLY A 48 3.897 -15.497 -0.708 1.00 0.00 H new ATOM 0 HA3 GLY A 48 3.209 -15.450 0.903 1.00 0.00 H new ATOM 726 N VAL A 49 3.285 -12.554 0.599 1.00 0.00 N ATOM 727 CA VAL A 49 2.639 -11.268 0.367 1.00 0.00 C ATOM 728 C VAL A 49 3.524 -10.361 -0.482 1.00 0.00 C ATOM 729 O VAL A 49 4.737 -10.305 -0.287 1.00 0.00 O ATOM 730 CB VAL A 49 2.318 -10.557 1.697 1.00 0.00 C ATOM 731 CG1 VAL A 49 1.538 -9.274 1.449 1.00 0.00 C ATOM 732 CG2 VAL A 49 1.551 -11.487 2.625 1.00 0.00 C ATOM 0 H VAL A 49 3.925 -12.566 1.393 1.00 0.00 H new ATOM 0 HA VAL A 49 1.708 -11.466 -0.164 1.00 0.00 H new ATOM 0 HB VAL A 49 3.258 -10.290 2.180 1.00 0.00 H new ATOM 0 HG11 VAL A 49 1.323 -8.789 2.401 1.00 0.00 H new ATOM 0 HG12 VAL A 49 2.130 -8.603 0.826 1.00 0.00 H new ATOM 0 HG13 VAL A 49 0.602 -9.509 0.942 1.00 0.00 H new ATOM 0 HG21 VAL A 49 1.332 -10.970 3.559 1.00 0.00 H new ATOM 0 HG22 VAL A 49 0.617 -11.787 2.149 1.00 0.00 H new ATOM 0 HG23 VAL A 49 2.153 -12.372 2.832 1.00 0.00 H new ATOM 742 N ASN A 50 2.911 -9.655 -1.427 1.00 0.00 N ATOM 743 CA ASN A 50 3.653 -8.755 -2.303 1.00 0.00 C ATOM 744 C ASN A 50 3.688 -7.341 -1.735 1.00 0.00 C ATOM 745 O ASN A 50 2.791 -6.932 -0.997 1.00 0.00 O ATOM 746 CB ASN A 50 3.040 -8.733 -3.705 1.00 0.00 C ATOM 747 CG ASN A 50 2.536 -10.094 -4.146 1.00 0.00 C ATOM 748 OD1 ASN A 50 3.320 -11.020 -4.360 1.00 0.00 O ATOM 749 ND2 ASN A 50 1.222 -10.223 -4.284 1.00 0.00 N ATOM 0 H ASN A 50 1.907 -9.688 -1.605 1.00 0.00 H new ATOM 0 HA ASN A 50 4.674 -9.130 -2.369 1.00 0.00 H new ATOM 0 HB2 ASN A 50 2.215 -8.021 -3.725 1.00 0.00 H new ATOM 0 HB3 ASN A 50 3.785 -8.378 -4.417 1.00 0.00 H new ATOM 0 HD21 ASN A 50 0.825 -11.116 -4.578 1.00 0.00 H new ATOM 0 HD22 ASN A 50 0.609 -9.430 -4.096 1.00 0.00 H new ATOM 756 N LEU A 51 4.735 -6.603 -2.082 1.00 0.00 N ATOM 757 CA LEU A 51 4.907 -5.237 -1.613 1.00 0.00 C ATOM 758 C LEU A 51 5.826 -4.457 -2.550 1.00 0.00 C ATOM 759 O LEU A 51 6.707 -5.036 -3.187 1.00 0.00 O ATOM 760 CB LEU A 51 5.506 -5.249 -0.210 1.00 0.00 C ATOM 761 CG LEU A 51 5.371 -3.938 0.564 1.00 0.00 C ATOM 762 CD1 LEU A 51 4.502 -4.142 1.794 1.00 0.00 C ATOM 763 CD2 LEU A 51 6.741 -3.404 0.955 1.00 0.00 C ATOM 0 H LEU A 51 5.483 -6.933 -2.692 1.00 0.00 H new ATOM 0 HA LEU A 51 3.931 -4.751 -1.595 1.00 0.00 H new ATOM 0 HB2 LEU A 51 5.029 -6.043 0.365 1.00 0.00 H new ATOM 0 HB3 LEU A 51 6.564 -5.501 -0.286 1.00 0.00 H new ATOM 0 HG LEU A 51 4.891 -3.201 -0.080 1.00 0.00 H new ATOM 0 HD11 LEU A 51 4.413 -3.201 2.337 1.00 0.00 H new ATOM 0 HD12 LEU A 51 3.512 -4.479 1.488 1.00 0.00 H new ATOM 0 HD13 LEU A 51 4.957 -4.892 2.440 1.00 0.00 H new ATOM 0 HD21 LEU A 51 6.624 -2.470 1.505 1.00 0.00 H new ATOM 0 HD22 LEU A 51 7.250 -4.134 1.584 1.00 0.00 H new ATOM 0 HD23 LEU A 51 7.331 -3.224 0.057 1.00 0.00 H new ATOM 775 N ASN A 52 5.630 -3.142 -2.628 1.00 0.00 N ATOM 776 CA ASN A 52 6.466 -2.309 -3.489 1.00 0.00 C ATOM 777 C ASN A 52 6.469 -0.844 -3.039 1.00 0.00 C ATOM 778 O ASN A 52 5.429 -0.187 -3.002 1.00 0.00 O ATOM 779 CB ASN A 52 6.016 -2.438 -4.955 1.00 0.00 C ATOM 780 CG ASN A 52 5.153 -1.282 -5.434 1.00 0.00 C ATOM 781 OD1 ASN A 52 5.564 -0.501 -6.292 1.00 0.00 O ATOM 782 ND2 ASN A 52 3.954 -1.169 -4.881 1.00 0.00 N ATOM 0 H ASN A 52 4.910 -2.636 -2.113 1.00 0.00 H new ATOM 0 HA ASN A 52 7.492 -2.668 -3.406 1.00 0.00 H new ATOM 0 HB2 ASN A 52 6.898 -2.509 -5.591 1.00 0.00 H new ATOM 0 HB3 ASN A 52 5.461 -3.368 -5.075 1.00 0.00 H new ATOM 0 HD21 ASN A 52 3.331 -0.412 -5.163 1.00 0.00 H new ATOM 0 HD22 ASN A 52 3.654 -1.839 -4.173 1.00 0.00 H new ATOM 789 N CYS A 53 7.657 -0.342 -2.703 1.00 0.00 N ATOM 790 CA CYS A 53 7.828 1.037 -2.263 1.00 0.00 C ATOM 791 C CYS A 53 8.012 1.961 -3.461 1.00 0.00 C ATOM 792 O CYS A 53 8.460 1.532 -4.525 1.00 0.00 O ATOM 793 CB CYS A 53 9.042 1.143 -1.339 1.00 0.00 C ATOM 794 SG CYS A 53 9.321 -0.319 -0.284 1.00 0.00 S ATOM 0 H CYS A 53 8.523 -0.880 -2.729 1.00 0.00 H new ATOM 0 HA CYS A 53 6.933 1.341 -1.720 1.00 0.00 H new ATOM 0 HB2 CYS A 53 9.931 1.312 -1.946 1.00 0.00 H new ATOM 0 HB3 CYS A 53 8.921 2.018 -0.701 1.00 0.00 H new ATOM 799 N CYS A 54 7.663 3.230 -3.284 1.00 0.00 N ATOM 800 CA CYS A 54 7.789 4.211 -4.355 1.00 0.00 C ATOM 801 C CYS A 54 7.896 5.610 -3.798 1.00 0.00 C ATOM 802 O CYS A 54 7.528 5.878 -2.657 1.00 0.00 O ATOM 803 CB CYS A 54 6.607 4.114 -5.318 1.00 0.00 C ATOM 804 SG CYS A 54 5.011 3.777 -4.505 1.00 0.00 S ATOM 0 H CYS A 54 7.291 3.603 -2.411 1.00 0.00 H new ATOM 0 HA CYS A 54 8.704 3.990 -4.904 1.00 0.00 H new ATOM 0 HB2 CYS A 54 6.529 5.047 -5.875 1.00 0.00 H new ATOM 0 HB3 CYS A 54 6.807 3.325 -6.043 1.00 0.00 H new ATOM 809 N ARG A 55 8.448 6.485 -4.613 1.00 0.00 N ATOM 810 CA ARG A 55 8.667 7.854 -4.227 1.00 0.00 C ATOM 811 C ARG A 55 7.921 8.824 -5.141 1.00 0.00 C ATOM 812 O ARG A 55 8.448 9.876 -5.505 1.00 0.00 O ATOM 813 CB ARG A 55 10.167 8.128 -4.265 1.00 0.00 C ATOM 814 CG ARG A 55 11.020 6.904 -4.571 1.00 0.00 C ATOM 815 CD ARG A 55 12.484 7.148 -4.240 1.00 0.00 C ATOM 816 NE ARG A 55 13.086 6.008 -3.553 1.00 0.00 N ATOM 817 CZ ARG A 55 14.399 5.801 -3.473 1.00 0.00 C ATOM 818 NH1 ARG A 55 15.248 6.653 -4.032 1.00 0.00 N ATOM 819 NH2 ARG A 55 14.864 4.738 -2.830 1.00 0.00 N ATOM 0 H ARG A 55 8.755 6.263 -5.560 1.00 0.00 H new ATOM 0 HA ARG A 55 8.280 8.008 -3.220 1.00 0.00 H new ATOM 0 HB2 ARG A 55 10.366 8.892 -5.016 1.00 0.00 H new ATOM 0 HB3 ARG A 55 10.474 8.539 -3.303 1.00 0.00 H new ATOM 0 HG2 ARG A 55 10.654 6.052 -3.999 1.00 0.00 H new ATOM 0 HG3 ARG A 55 10.922 6.646 -5.625 1.00 0.00 H new ATOM 0 HD2 ARG A 55 13.035 7.350 -5.159 1.00 0.00 H new ATOM 0 HD3 ARG A 55 12.571 8.036 -3.614 1.00 0.00 H new ATOM 0 HE ARG A 55 12.465 5.332 -3.109 1.00 0.00 H new ATOM 0 HH11 ARG A 55 14.896 7.473 -4.527 1.00 0.00 H new ATOM 0 HH12 ARG A 55 16.253 6.489 -3.967 1.00 0.00 H new ATOM 0 HH21 ARG A 55 14.216 4.080 -2.397 1.00 0.00 H new ATOM 0 HH22 ARG A 55 15.870 4.579 -2.768 1.00 0.00 H new ATOM 833 N THR A 56 6.692 8.471 -5.506 1.00 0.00 N ATOM 834 CA THR A 56 5.884 9.321 -6.373 1.00 0.00 C ATOM 835 C THR A 56 4.482 9.504 -5.800 1.00 0.00 C ATOM 836 O THR A 56 3.969 8.632 -5.099 1.00 0.00 O ATOM 837 CB THR A 56 5.802 8.722 -7.778 1.00 0.00 C ATOM 838 OG1 THR A 56 6.875 7.825 -8.005 1.00 0.00 O ATOM 839 CG2 THR A 56 5.836 9.764 -8.876 1.00 0.00 C ATOM 0 H THR A 56 6.236 7.606 -5.216 1.00 0.00 H new ATOM 0 HA THR A 56 6.363 10.298 -6.432 1.00 0.00 H new ATOM 0 HB THR A 56 4.842 8.207 -7.816 1.00 0.00 H new ATOM 0 HG1 THR A 56 6.804 7.451 -8.908 1.00 0.00 H new ATOM 0 HG21 THR A 56 5.774 9.272 -9.847 1.00 0.00 H new ATOM 0 HG22 THR A 56 4.992 10.443 -8.759 1.00 0.00 H new ATOM 0 HG23 THR A 56 6.767 10.328 -8.814 1.00 0.00 H new ATOM 847 N ASP A 57 3.868 10.642 -6.104 1.00 0.00 N ATOM 848 CA ASP A 57 2.524 10.934 -5.620 1.00 0.00 C ATOM 849 C ASP A 57 1.516 9.950 -6.208 1.00 0.00 C ATOM 850 O ASP A 57 1.469 9.750 -7.422 1.00 0.00 O ATOM 851 CB ASP A 57 2.131 12.367 -5.981 1.00 0.00 C ATOM 852 CG ASP A 57 2.562 13.367 -4.926 1.00 0.00 C ATOM 853 OD1 ASP A 57 3.672 13.208 -4.376 1.00 0.00 O ATOM 854 OD2 ASP A 57 1.789 14.309 -4.648 1.00 0.00 O ATOM 0 H ASP A 57 4.278 11.376 -6.682 1.00 0.00 H new ATOM 0 HA ASP A 57 2.519 10.829 -4.535 1.00 0.00 H new ATOM 0 HB2 ASP A 57 2.581 12.635 -6.937 1.00 0.00 H new ATOM 0 HB3 ASP A 57 1.050 12.423 -6.111 1.00 0.00 H new ATOM 859 N ARG A 58 0.718 9.335 -5.342 1.00 0.00 N ATOM 860 CA ARG A 58 -0.281 8.367 -5.782 1.00 0.00 C ATOM 861 C ARG A 58 0.384 7.196 -6.499 1.00 0.00 C ATOM 862 O ARG A 58 -0.215 6.563 -7.369 1.00 0.00 O ATOM 863 CB ARG A 58 -1.298 9.035 -6.709 1.00 0.00 C ATOM 864 CG ARG A 58 -2.198 10.032 -5.998 1.00 0.00 C ATOM 865 CD ARG A 58 -3.330 10.504 -6.899 1.00 0.00 C ATOM 866 NE ARG A 58 -3.178 11.906 -7.280 1.00 0.00 N ATOM 867 CZ ARG A 58 -4.083 12.585 -7.982 1.00 0.00 C ATOM 868 NH1 ARG A 58 -5.203 11.996 -8.381 1.00 0.00 N ATOM 869 NH2 ARG A 58 -3.866 13.858 -8.285 1.00 0.00 N ATOM 0 H ARG A 58 0.743 9.489 -4.334 1.00 0.00 H new ATOM 0 HA ARG A 58 -0.799 7.989 -4.901 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -0.766 9.545 -7.512 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -1.915 8.266 -7.173 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -2.613 9.573 -5.101 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -1.608 10.889 -5.674 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -3.361 9.886 -7.796 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -4.282 10.369 -6.386 1.00 0.00 H new ATOM 0 HE ARG A 58 -2.329 12.393 -6.992 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -5.375 11.017 -8.150 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -5.892 12.522 -8.918 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -3.007 14.315 -7.980 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -4.558 14.379 -8.823 1.00 0.00 H new ATOM 883 N CYS A 59 1.629 6.921 -6.130 1.00 0.00 N ATOM 884 CA CYS A 59 2.391 5.838 -6.730 1.00 0.00 C ATOM 885 C CYS A 59 1.808 4.475 -6.360 1.00 0.00 C ATOM 886 O CYS A 59 1.910 3.518 -7.127 1.00 0.00 O ATOM 887 CB CYS A 59 3.846 5.925 -6.278 1.00 0.00 C ATOM 888 SG CYS A 59 4.094 5.585 -4.506 1.00 0.00 S ATOM 0 H CYS A 59 2.134 7.439 -5.411 1.00 0.00 H new ATOM 0 HA CYS A 59 2.337 5.941 -7.814 1.00 0.00 H new ATOM 0 HB2 CYS A 59 4.439 5.219 -6.859 1.00 0.00 H new ATOM 0 HB3 CYS A 59 4.226 6.921 -6.503 1.00 0.00 H new ATOM 893 N ASN A 60 1.203 4.394 -5.178 1.00 0.00 N ATOM 894 CA ASN A 60 0.608 3.147 -4.704 1.00 0.00 C ATOM 895 C ASN A 60 -0.888 3.108 -4.998 1.00 0.00 C ATOM 896 O ASN A 60 -1.662 2.512 -4.250 1.00 0.00 O ATOM 897 CB ASN A 60 0.849 2.985 -3.202 1.00 0.00 C ATOM 898 CG ASN A 60 0.491 4.233 -2.419 1.00 0.00 C ATOM 899 OD1 ASN A 60 -0.148 5.145 -2.942 1.00 0.00 O ATOM 900 ND2 ASN A 60 0.906 4.279 -1.158 1.00 0.00 N ATOM 0 H ASN A 60 1.112 5.177 -4.531 1.00 0.00 H new ATOM 0 HA ASN A 60 1.083 2.322 -5.235 1.00 0.00 H new ATOM 0 HB2 ASN A 60 0.260 2.146 -2.831 1.00 0.00 H new ATOM 0 HB3 ASN A 60 1.897 2.740 -3.030 1.00 0.00 H new ATOM 0 HD21 ASN A 60 0.697 5.094 -0.582 1.00 0.00 H new ATOM 0 HD22 ASN A 60 1.433 3.499 -0.766 1.00 0.00 H new ATOM 907 N ASN A 61 -1.289 3.747 -6.093 1.00 0.00 N ATOM 908 CA ASN A 61 -2.687 3.788 -6.487 1.00 0.00 C ATOM 909 C ASN A 61 -3.199 2.393 -6.834 1.00 0.00 C ATOM 910 O ASN A 61 -4.430 2.186 -6.789 1.00 0.00 O ATOM 911 CB ASN A 61 -2.859 4.723 -7.684 1.00 0.00 C ATOM 912 CG ASN A 61 -2.139 4.221 -8.922 1.00 0.00 C ATOM 913 OD1 ASN A 61 -2.625 3.330 -9.617 1.00 0.00 O ATOM 914 ND2 ASN A 61 -0.973 4.793 -9.201 1.00 0.00 N ATOM 915 OXT ASN A 61 -2.363 1.518 -7.148 1.00 0.00 O ATOM 0 H ASN A 61 -0.660 4.244 -6.723 1.00 0.00 H new ATOM 0 HA ASN A 61 -3.271 4.164 -5.647 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -3.921 4.834 -7.905 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -2.483 5.713 -7.425 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -0.443 4.496 -10.020 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -0.608 5.529 -8.596 1.00 0.00 H new