USER MOD reduce.3.24.130724 H: found=0, std=0, add=443, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 444 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 8 ASN :FLIP amide:sc= 0.661 F(o=-0.15,f=0.66) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 TYR OH : rot 165:sc= -0.0469 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=-0.0092) USER MOD Single : A 21 ASN : amide:sc=-0.00372 X(o=-0.0037,f=0) USER MOD Single : A 26 MET CE :methyl -124:sc= -1.99 (180deg=-2.33) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 ASN : amide:sc= 0 K(o=0,f=-0.96) USER MOD Single : A 44 LYS NZ :NH3+ -122:sc= 1.77 (180deg=-0.544) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 GLN : amide:sc= 0 K(o=0,f=-0.5) USER MOD Single : A 57 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 60 GLN : amide:sc= -0.785 K(o=-0.78,f=-1.8!) USER MOD ----------------------------------------------------------------- ATOM 66 N ASN A 8 2.537 -10.723 -2.359 1.00 0.00 N ATOM 67 CA ASN A 8 3.348 -9.905 -1.464 1.00 0.00 C ATOM 68 C ASN A 8 2.493 -8.852 -0.765 1.00 0.00 C ATOM 69 O ASN A 8 1.863 -8.016 -1.413 1.00 0.00 O ATOM 70 CB ASN A 8 4.476 -9.226 -2.243 1.00 0.00 C ATOM 71 CG ASN A 8 5.490 -10.220 -2.776 1.00 0.00 C ATOM 72 OD1 ASN A 8 6.704 -9.746 -3.035 1.00 0.00 O flip ATOM 73 ND2 ASN A 8 5.186 -11.399 -2.953 1.00 0.00 N flip ATOM 0 HA ASN A 8 3.780 -10.559 -0.706 1.00 0.00 H new ATOM 0 HB2 ASN A 8 4.052 -8.663 -3.074 1.00 0.00 H new ATOM 0 HB3 ASN A 8 4.980 -8.508 -1.596 1.00 0.00 H new ATOM 0 HD21 ASN A 8 4.241 -11.720 -2.740 1.00 0.00 H new ATOM 0 HD22 ASN A 8 5.879 -12.056 -3.312 1.00 0.00 H new ATOM 80 N THR A 9 2.477 -8.899 0.564 1.00 0.00 N ATOM 81 CA THR A 9 1.700 -7.950 1.352 1.00 0.00 C ATOM 82 C THR A 9 2.595 -6.875 1.958 1.00 0.00 C ATOM 83 O THR A 9 3.758 -7.128 2.275 1.00 0.00 O ATOM 84 CB THR A 9 0.930 -8.658 2.483 1.00 0.00 C ATOM 85 OG1 THR A 9 0.402 -9.903 2.012 1.00 0.00 O ATOM 86 CG2 THR A 9 -0.203 -7.783 2.997 1.00 0.00 C ATOM 0 H THR A 9 2.993 -9.584 1.117 1.00 0.00 H new ATOM 0 HA THR A 9 0.987 -7.484 0.672 1.00 0.00 H new ATOM 0 HB THR A 9 1.624 -8.845 3.303 1.00 0.00 H new ATOM 0 HG1 THR A 9 -0.084 -10.347 2.737 1.00 0.00 H new ATOM 0 HG21 THR A 9 -0.732 -8.304 3.795 1.00 0.00 H new ATOM 0 HG22 THR A 9 0.205 -6.849 3.382 1.00 0.00 H new ATOM 0 HG23 THR A 9 -0.895 -7.568 2.183 1.00 0.00 H new ATOM 94 N TYR A 10 2.046 -5.676 2.117 1.00 0.00 N ATOM 95 CA TYR A 10 2.796 -4.561 2.683 1.00 0.00 C ATOM 96 C TYR A 10 1.991 -3.861 3.773 1.00 0.00 C ATOM 97 O TYR A 10 0.767 -3.757 3.688 1.00 0.00 O ATOM 98 CB TYR A 10 3.170 -3.562 1.588 1.00 0.00 C ATOM 99 CG TYR A 10 4.193 -4.092 0.608 1.00 0.00 C ATOM 100 CD1 TYR A 10 3.921 -5.208 -0.174 1.00 0.00 C ATOM 101 CD2 TYR A 10 5.430 -3.476 0.463 1.00 0.00 C ATOM 102 CE1 TYR A 10 4.853 -5.695 -1.070 1.00 0.00 C ATOM 103 CE2 TYR A 10 6.367 -3.956 -0.431 1.00 0.00 C ATOM 104 CZ TYR A 10 6.074 -5.066 -1.195 1.00 0.00 C ATOM 105 OH TYR A 10 7.004 -5.549 -2.088 1.00 0.00 O ATOM 0 H TYR A 10 1.084 -5.451 1.862 1.00 0.00 H new ATOM 0 HA TYR A 10 3.708 -4.959 3.129 1.00 0.00 H new ATOM 0 HB2 TYR A 10 2.269 -3.279 1.043 1.00 0.00 H new ATOM 0 HB3 TYR A 10 3.559 -2.656 2.052 1.00 0.00 H new ATOM 0 HD1 TYR A 10 2.966 -5.703 -0.080 1.00 0.00 H new ATOM 0 HD2 TYR A 10 5.663 -2.607 1.060 1.00 0.00 H new ATOM 0 HE1 TYR A 10 4.627 -6.564 -1.670 1.00 0.00 H new ATOM 0 HE2 TYR A 10 7.324 -3.465 -0.531 1.00 0.00 H new ATOM 0 HH TYR A 10 7.699 -4.874 -2.233 1.00 0.00 H new ATOM 115 N VAL A 11 2.688 -3.380 4.798 1.00 0.00 N ATOM 116 CA VAL A 11 2.040 -2.687 5.905 1.00 0.00 C ATOM 117 C VAL A 11 2.392 -1.204 5.907 1.00 0.00 C ATOM 118 O VAL A 11 3.562 -0.833 5.815 1.00 0.00 O ATOM 119 CB VAL A 11 2.437 -3.300 7.261 1.00 0.00 C ATOM 120 CG1 VAL A 11 3.941 -3.205 7.469 1.00 0.00 C ATOM 121 CG2 VAL A 11 1.689 -2.615 8.395 1.00 0.00 C ATOM 0 H VAL A 11 3.701 -3.458 4.884 1.00 0.00 H new ATOM 0 HA VAL A 11 0.965 -2.802 5.764 1.00 0.00 H new ATOM 0 HB VAL A 11 2.160 -4.354 7.259 1.00 0.00 H new ATOM 0 HG11 VAL A 11 4.203 -3.643 8.432 1.00 0.00 H new ATOM 0 HG12 VAL A 11 4.453 -3.745 6.673 1.00 0.00 H new ATOM 0 HG13 VAL A 11 4.245 -2.159 7.451 1.00 0.00 H new ATOM 0 HG21 VAL A 11 1.982 -3.061 9.346 1.00 0.00 H new ATOM 0 HG22 VAL A 11 1.933 -1.553 8.402 1.00 0.00 H new ATOM 0 HG23 VAL A 11 0.616 -2.740 8.251 1.00 0.00 H new ATOM 131 N ALA A 12 1.372 -0.358 6.013 1.00 0.00 N ATOM 132 CA ALA A 12 1.575 1.085 6.030 1.00 0.00 C ATOM 133 C ALA A 12 2.293 1.524 7.301 1.00 0.00 C ATOM 134 O ALA A 12 1.887 1.169 8.409 1.00 0.00 O ATOM 135 CB ALA A 12 0.242 1.807 5.898 1.00 0.00 C ATOM 0 H ALA A 12 0.397 -0.648 6.088 1.00 0.00 H new ATOM 0 HA ALA A 12 2.204 1.348 5.180 1.00 0.00 H new ATOM 0 HB1 ALA A 12 0.409 2.884 5.912 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -0.233 1.526 4.958 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -0.406 1.529 6.729 1.00 0.00 H new ATOM 141 N LEU A 13 3.360 2.297 7.136 1.00 0.00 N ATOM 142 CA LEU A 13 4.136 2.784 8.271 1.00 0.00 C ATOM 143 C LEU A 13 3.495 4.030 8.874 1.00 0.00 C ATOM 144 O LEU A 13 3.506 4.220 10.090 1.00 0.00 O ATOM 145 CB LEU A 13 5.571 3.093 7.839 1.00 0.00 C ATOM 146 CG LEU A 13 6.318 1.959 7.136 1.00 0.00 C ATOM 147 CD1 LEU A 13 7.473 2.511 6.314 1.00 0.00 C ATOM 148 CD2 LEU A 13 6.822 0.942 8.150 1.00 0.00 C ATOM 0 H LEU A 13 3.708 2.600 6.226 1.00 0.00 H new ATOM 0 HA LEU A 13 4.152 2.002 9.030 1.00 0.00 H new ATOM 0 HB2 LEU A 13 5.551 3.956 7.173 1.00 0.00 H new ATOM 0 HB3 LEU A 13 6.140 3.384 8.722 1.00 0.00 H new ATOM 0 HG LEU A 13 5.625 1.457 6.461 1.00 0.00 H new ATOM 0 HD11 LEU A 13 7.993 1.690 5.821 1.00 0.00 H new ATOM 0 HD12 LEU A 13 7.088 3.200 5.563 1.00 0.00 H new ATOM 0 HD13 LEU A 13 8.166 3.039 6.969 1.00 0.00 H new ATOM 0 HD21 LEU A 13 7.351 0.142 7.631 1.00 0.00 H new ATOM 0 HD22 LEU A 13 7.500 1.431 8.850 1.00 0.00 H new ATOM 0 HD23 LEU A 13 5.977 0.523 8.696 1.00 0.00 H new ATOM 160 N TYR A 14 2.935 4.875 8.015 1.00 0.00 N ATOM 161 CA TYR A 14 2.289 6.103 8.462 1.00 0.00 C ATOM 162 C TYR A 14 1.007 6.362 7.677 1.00 0.00 C ATOM 163 O TYR A 14 0.786 5.777 6.616 1.00 0.00 O ATOM 164 CB TYR A 14 3.242 7.290 8.310 1.00 0.00 C ATOM 165 CG TYR A 14 4.692 6.937 8.553 1.00 0.00 C ATOM 166 CD1 TYR A 14 5.494 6.464 7.521 1.00 0.00 C ATOM 167 CD2 TYR A 14 5.260 7.076 9.813 1.00 0.00 C ATOM 168 CE1 TYR A 14 6.819 6.140 7.738 1.00 0.00 C ATOM 169 CE2 TYR A 14 6.584 6.756 10.039 1.00 0.00 C ATOM 170 CZ TYR A 14 7.360 6.288 8.998 1.00 0.00 C ATOM 171 OH TYR A 14 8.679 5.966 9.219 1.00 0.00 O ATOM 0 H TYR A 14 2.916 4.732 7.005 1.00 0.00 H new ATOM 0 HA TYR A 14 2.031 5.985 9.514 1.00 0.00 H new ATOM 0 HB2 TYR A 14 3.140 7.701 7.305 1.00 0.00 H new ATOM 0 HB3 TYR A 14 2.946 8.074 9.007 1.00 0.00 H new ATOM 0 HD1 TYR A 14 5.074 6.348 6.533 1.00 0.00 H new ATOM 0 HD2 TYR A 14 4.655 7.441 10.630 1.00 0.00 H new ATOM 0 HE1 TYR A 14 7.428 5.773 6.925 1.00 0.00 H new ATOM 0 HE2 TYR A 14 7.010 6.871 11.025 1.00 0.00 H new ATOM 0 HH TYR A 14 8.902 6.129 10.159 1.00 0.00 H new ATOM 181 N LYS A 15 0.164 7.243 8.205 1.00 0.00 N ATOM 182 CA LYS A 15 -1.096 7.583 7.555 1.00 0.00 C ATOM 183 C LYS A 15 -0.857 8.459 6.330 1.00 0.00 C ATOM 184 O LYS A 15 -0.088 9.419 6.382 1.00 0.00 O ATOM 185 CB LYS A 15 -2.022 8.303 8.538 1.00 0.00 C ATOM 186 CG LYS A 15 -3.193 9.002 7.868 1.00 0.00 C ATOM 187 CD LYS A 15 -4.045 9.753 8.878 1.00 0.00 C ATOM 188 CE LYS A 15 -4.850 10.860 8.214 1.00 0.00 C ATOM 189 NZ LYS A 15 -4.105 12.149 8.189 1.00 0.00 N ATOM 0 H LYS A 15 0.331 7.735 9.083 1.00 0.00 H new ATOM 0 HA LYS A 15 -1.570 6.657 7.230 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -2.405 7.581 9.259 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -1.443 9.037 9.098 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -2.821 9.697 7.116 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -3.807 8.267 7.347 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -4.722 9.057 9.374 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -3.405 10.180 9.650 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -5.101 10.566 7.195 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -5.791 10.995 8.747 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -4.687 12.878 7.729 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -3.888 12.443 9.163 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -3.219 12.028 7.658 1.00 0.00 H new ATOM 203 N PHE A 16 -1.521 8.123 5.229 1.00 0.00 N ATOM 204 CA PHE A 16 -1.381 8.880 3.991 1.00 0.00 C ATOM 205 C PHE A 16 -2.651 9.669 3.689 1.00 0.00 C ATOM 206 O PHE A 16 -3.761 9.202 3.944 1.00 0.00 O ATOM 207 CB PHE A 16 -1.063 7.939 2.826 1.00 0.00 C ATOM 208 CG PHE A 16 -0.663 8.656 1.568 1.00 0.00 C ATOM 209 CD1 PHE A 16 -1.623 9.094 0.670 1.00 0.00 C ATOM 210 CD2 PHE A 16 0.672 8.893 1.285 1.00 0.00 C ATOM 211 CE1 PHE A 16 -1.257 9.753 -0.488 1.00 0.00 C ATOM 212 CE2 PHE A 16 1.044 9.552 0.128 1.00 0.00 C ATOM 213 CZ PHE A 16 0.077 9.984 -0.759 1.00 0.00 C ATOM 0 H PHE A 16 -2.161 7.331 5.169 1.00 0.00 H new ATOM 0 HA PHE A 16 -0.558 9.584 4.116 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -0.259 7.266 3.122 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -1.937 7.321 2.620 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -2.668 8.918 0.877 1.00 0.00 H new ATOM 0 HD2 PHE A 16 1.431 8.559 1.976 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -2.015 10.087 -1.181 1.00 0.00 H new ATOM 0 HE2 PHE A 16 2.089 9.729 -0.082 1.00 0.00 H new ATOM 0 HZ PHE A 16 0.364 10.501 -1.663 1.00 0.00 H new ATOM 223 N VAL A 17 -2.480 10.870 3.144 1.00 0.00 N ATOM 224 CA VAL A 17 -3.611 11.725 2.807 1.00 0.00 C ATOM 225 C VAL A 17 -3.693 11.961 1.303 1.00 0.00 C ATOM 226 O VAL A 17 -3.084 12.883 0.760 1.00 0.00 O ATOM 227 CB VAL A 17 -3.520 13.085 3.525 1.00 0.00 C ATOM 228 CG1 VAL A 17 -4.661 13.994 3.094 1.00 0.00 C ATOM 229 CG2 VAL A 17 -3.523 12.892 5.034 1.00 0.00 C ATOM 0 H VAL A 17 -1.568 11.272 2.927 1.00 0.00 H new ATOM 0 HA VAL A 17 -4.510 11.206 3.140 1.00 0.00 H new ATOM 0 HB VAL A 17 -2.581 13.562 3.244 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -4.580 14.950 3.612 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -4.608 14.158 2.018 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -5.613 13.526 3.343 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -3.458 13.863 5.525 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -4.444 12.394 5.335 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -2.668 12.281 5.324 1.00 0.00 H new ATOM 239 N PRO A 18 -4.463 11.109 0.611 1.00 0.00 N ATOM 240 CA PRO A 18 -4.644 11.205 -0.840 1.00 0.00 C ATOM 241 C PRO A 18 -5.463 12.426 -1.243 1.00 0.00 C ATOM 242 O PRO A 18 -6.681 12.452 -1.068 1.00 0.00 O ATOM 243 CB PRO A 18 -5.395 9.918 -1.190 1.00 0.00 C ATOM 244 CG PRO A 18 -6.106 9.542 0.064 1.00 0.00 C ATOM 245 CD PRO A 18 -5.218 9.986 1.193 1.00 0.00 C ATOM 0 HA PRO A 18 -3.694 11.316 -1.362 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -6.096 10.079 -2.009 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -4.709 9.133 -1.507 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -7.081 10.027 0.120 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -6.282 8.467 0.106 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -5.798 10.299 2.061 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -4.556 9.185 1.523 1.00 0.00 H new ATOM 253 N GLN A 19 -4.787 13.435 -1.783 1.00 0.00 N ATOM 254 CA GLN A 19 -5.454 14.659 -2.210 1.00 0.00 C ATOM 255 C GLN A 19 -6.346 14.399 -3.419 1.00 0.00 C ATOM 256 O GLN A 19 -7.459 14.918 -3.503 1.00 0.00 O ATOM 257 CB GLN A 19 -4.421 15.737 -2.545 1.00 0.00 C ATOM 258 CG GLN A 19 -5.037 17.087 -2.877 1.00 0.00 C ATOM 259 CD GLN A 19 -4.033 18.220 -2.802 1.00 0.00 C ATOM 260 OE1 GLN A 19 -3.459 18.488 -1.746 1.00 0.00 O ATOM 261 NE2 GLN A 19 -3.814 18.893 -3.926 1.00 0.00 N ATOM 0 H GLN A 19 -3.778 13.429 -1.935 1.00 0.00 H new ATOM 0 HA GLN A 19 -6.080 15.008 -1.389 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -3.743 15.854 -1.700 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -3.821 15.403 -3.391 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -5.464 17.051 -3.879 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -5.857 17.287 -2.188 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -4.312 18.637 -4.779 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -3.148 19.666 -3.936 1.00 0.00 H new ATOM 270 N GLU A 20 -5.849 13.594 -4.353 1.00 0.00 N ATOM 271 CA GLU A 20 -6.603 13.268 -5.558 1.00 0.00 C ATOM 272 C GLU A 20 -7.066 11.814 -5.533 1.00 0.00 C ATOM 273 O GLU A 20 -6.398 10.949 -4.968 1.00 0.00 O ATOM 274 CB GLU A 20 -5.750 13.521 -6.804 1.00 0.00 C ATOM 275 CG GLU A 20 -5.782 14.964 -7.279 1.00 0.00 C ATOM 276 CD GLU A 20 -5.372 15.944 -6.196 1.00 0.00 C ATOM 277 OE1 GLU A 20 -4.349 15.693 -5.526 1.00 0.00 O ATOM 278 OE2 GLU A 20 -6.074 16.961 -6.019 1.00 0.00 O ATOM 0 H GLU A 20 -4.929 13.156 -4.299 1.00 0.00 H new ATOM 0 HA GLU A 20 -7.482 13.911 -5.591 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -4.719 13.240 -6.591 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -6.097 12.874 -7.610 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -5.117 15.076 -8.135 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -6.787 15.207 -7.622 1.00 0.00 H new ATOM 285 N ASN A 21 -8.213 11.554 -6.151 1.00 0.00 N ATOM 286 CA ASN A 21 -8.767 10.205 -6.199 1.00 0.00 C ATOM 287 C ASN A 21 -7.672 9.176 -6.462 1.00 0.00 C ATOM 288 O ASN A 21 -7.583 8.161 -5.772 1.00 0.00 O ATOM 289 CB ASN A 21 -9.842 10.111 -7.284 1.00 0.00 C ATOM 290 CG ASN A 21 -11.115 10.841 -6.901 1.00 0.00 C ATOM 291 OD1 ASN A 21 -11.464 11.859 -7.499 1.00 0.00 O ATOM 292 ND2 ASN A 21 -11.816 10.322 -5.899 1.00 0.00 N ATOM 0 H ASN A 21 -8.777 12.259 -6.626 1.00 0.00 H new ATOM 0 HA ASN A 21 -9.218 9.990 -5.230 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -9.454 10.527 -8.214 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -10.071 9.063 -7.475 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -12.682 10.769 -5.597 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -11.489 9.476 -5.432 1.00 0.00 H new ATOM 299 N GLU A 22 -6.840 9.448 -7.463 1.00 0.00 N ATOM 300 CA GLU A 22 -5.751 8.545 -7.816 1.00 0.00 C ATOM 301 C GLU A 22 -5.047 8.026 -6.566 1.00 0.00 C ATOM 302 O GLU A 22 -4.787 6.830 -6.438 1.00 0.00 O ATOM 303 CB GLU A 22 -4.745 9.256 -8.724 1.00 0.00 C ATOM 304 CG GLU A 22 -4.147 10.509 -8.107 1.00 0.00 C ATOM 305 CD GLU A 22 -3.150 11.191 -9.023 1.00 0.00 C ATOM 306 OE1 GLU A 22 -1.989 10.734 -9.080 1.00 0.00 O ATOM 307 OE2 GLU A 22 -3.529 12.182 -9.682 1.00 0.00 O ATOM 0 H GLU A 22 -6.899 10.285 -8.043 1.00 0.00 H new ATOM 0 HA GLU A 22 -6.176 7.695 -8.351 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -3.940 8.564 -8.972 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -5.237 9.521 -9.660 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -4.948 11.207 -7.863 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -3.655 10.249 -7.170 1.00 0.00 H new ATOM 314 N ASP A 23 -4.740 8.935 -5.647 1.00 0.00 N ATOM 315 CA ASP A 23 -4.066 8.571 -4.406 1.00 0.00 C ATOM 316 C ASP A 23 -4.963 7.693 -3.538 1.00 0.00 C ATOM 317 O ASP A 23 -6.179 7.652 -3.727 1.00 0.00 O ATOM 318 CB ASP A 23 -3.660 9.827 -3.634 1.00 0.00 C ATOM 319 CG ASP A 23 -2.721 10.715 -4.426 1.00 0.00 C ATOM 320 OD1 ASP A 23 -3.213 11.499 -5.265 1.00 0.00 O ATOM 321 OD2 ASP A 23 -1.495 10.628 -4.207 1.00 0.00 O ATOM 0 H ASP A 23 -4.947 9.930 -5.738 1.00 0.00 H new ATOM 0 HA ASP A 23 -3.170 8.005 -4.660 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -4.554 10.392 -3.370 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -3.179 9.536 -2.700 1.00 0.00 H new ATOM 326 N LEU A 24 -4.354 6.991 -2.589 1.00 0.00 N ATOM 327 CA LEU A 24 -5.097 6.112 -1.692 1.00 0.00 C ATOM 328 C LEU A 24 -4.843 6.482 -0.234 1.00 0.00 C ATOM 329 O LEU A 24 -3.747 6.908 0.126 1.00 0.00 O ATOM 330 CB LEU A 24 -4.706 4.654 -1.936 1.00 0.00 C ATOM 331 CG LEU A 24 -4.956 3.689 -0.777 1.00 0.00 C ATOM 332 CD1 LEU A 24 -6.447 3.537 -0.521 1.00 0.00 C ATOM 333 CD2 LEU A 24 -4.321 2.336 -1.063 1.00 0.00 C ATOM 0 H LEU A 24 -3.348 7.013 -2.421 1.00 0.00 H new ATOM 0 HA LEU A 24 -6.160 6.236 -1.899 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -5.253 4.293 -2.807 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -3.646 4.620 -2.188 1.00 0.00 H new ATOM 0 HG LEU A 24 -4.495 4.102 0.120 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -6.605 2.846 0.307 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -6.874 4.508 -0.271 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -6.932 3.147 -1.416 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -4.509 1.662 -0.227 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -4.752 1.916 -1.972 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -3.246 2.459 -1.195 1.00 0.00 H new ATOM 345 N GLU A 25 -5.864 6.312 0.600 1.00 0.00 N ATOM 346 CA GLU A 25 -5.750 6.627 2.019 1.00 0.00 C ATOM 347 C GLU A 25 -5.416 5.377 2.829 1.00 0.00 C ATOM 348 O GLU A 25 -6.146 4.387 2.792 1.00 0.00 O ATOM 349 CB GLU A 25 -7.051 7.247 2.533 1.00 0.00 C ATOM 350 CG GLU A 25 -6.907 7.936 3.880 1.00 0.00 C ATOM 351 CD GLU A 25 -7.965 8.998 4.109 1.00 0.00 C ATOM 352 OE1 GLU A 25 -7.955 10.011 3.379 1.00 0.00 O ATOM 353 OE2 GLU A 25 -8.803 8.815 5.016 1.00 0.00 O ATOM 0 H GLU A 25 -6.778 5.958 0.318 1.00 0.00 H new ATOM 0 HA GLU A 25 -4.940 7.346 2.141 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -7.413 7.970 1.802 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -7.809 6.467 2.612 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -6.968 7.191 4.673 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -5.919 8.392 3.947 1.00 0.00 H new ATOM 360 N MET A 26 -4.306 5.431 3.558 1.00 0.00 N ATOM 361 CA MET A 26 -3.874 4.304 4.376 1.00 0.00 C ATOM 362 C MET A 26 -3.578 4.751 5.804 1.00 0.00 C ATOM 363 O MET A 26 -3.373 5.937 6.063 1.00 0.00 O ATOM 364 CB MET A 26 -2.633 3.649 3.767 1.00 0.00 C ATOM 365 CG MET A 26 -1.751 4.618 2.997 1.00 0.00 C ATOM 366 SD MET A 26 -0.501 3.780 2.004 1.00 0.00 S ATOM 367 CE MET A 26 0.996 4.535 2.636 1.00 0.00 C ATOM 0 H MET A 26 -3.690 6.243 3.599 1.00 0.00 H new ATOM 0 HA MET A 26 -4.684 3.575 4.402 1.00 0.00 H new ATOM 0 HB2 MET A 26 -2.046 3.191 4.563 1.00 0.00 H new ATOM 0 HB3 MET A 26 -2.946 2.846 3.099 1.00 0.00 H new ATOM 0 HG2 MET A 26 -2.374 5.232 2.347 1.00 0.00 H new ATOM 0 HG3 MET A 26 -1.260 5.292 3.699 1.00 0.00 H new ATOM 0 HE1 MET A 26 1.554 4.981 1.813 1.00 0.00 H new ATOM 0 HE2 MET A 26 0.736 5.308 3.359 1.00 0.00 H new ATOM 0 HE3 MET A 26 1.610 3.776 3.121 1.00 0.00 H new ATOM 377 N ARG A 27 -3.558 3.795 6.727 1.00 0.00 N ATOM 378 CA ARG A 27 -3.289 4.091 8.129 1.00 0.00 C ATOM 379 C ARG A 27 -2.103 3.277 8.638 1.00 0.00 C ATOM 380 O ARG A 27 -1.748 2.237 8.083 1.00 0.00 O ATOM 381 CB ARG A 27 -4.526 3.799 8.981 1.00 0.00 C ATOM 382 CG ARG A 27 -5.562 4.911 8.952 1.00 0.00 C ATOM 383 CD ARG A 27 -6.895 4.445 9.516 1.00 0.00 C ATOM 384 NE ARG A 27 -6.975 4.637 10.961 1.00 0.00 N ATOM 385 CZ ARG A 27 -7.836 3.994 11.742 1.00 0.00 C ATOM 386 NH1 ARG A 27 -8.685 3.121 11.219 1.00 0.00 N ATOM 387 NH2 ARG A 27 -7.848 4.224 13.049 1.00 0.00 N ATOM 0 H ARG A 27 -3.725 2.808 6.529 1.00 0.00 H new ATOM 0 HA ARG A 27 -3.043 5.150 8.210 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -4.987 2.875 8.632 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -4.215 3.630 10.012 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -5.200 5.762 9.528 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -5.700 5.255 7.927 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -7.704 4.992 9.032 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -7.039 3.390 9.282 1.00 0.00 H new ATOM 0 HE ARG A 27 -6.334 5.302 11.395 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -8.678 2.942 10.215 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -9.345 2.628 11.821 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -7.196 4.895 13.455 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -8.510 3.730 13.648 1.00 0.00 H new ATOM 401 N PRO A 28 -1.475 3.760 9.721 1.00 0.00 N ATOM 402 CA PRO A 28 -0.320 3.093 10.329 1.00 0.00 C ATOM 403 C PRO A 28 -0.700 1.785 11.013 1.00 0.00 C ATOM 404 O PRO A 28 -1.005 1.761 12.204 1.00 0.00 O ATOM 405 CB PRO A 28 0.175 4.111 11.359 1.00 0.00 C ATOM 406 CG PRO A 28 -1.026 4.927 11.694 1.00 0.00 C ATOM 407 CD PRO A 28 -1.844 4.994 10.434 1.00 0.00 C ATOM 0 HA PRO A 28 0.429 2.818 9.587 1.00 0.00 H new ATOM 0 HB2 PRO A 28 0.576 3.616 12.243 1.00 0.00 H new ATOM 0 HB3 PRO A 28 0.973 4.731 10.951 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -1.594 4.471 12.505 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -0.740 5.925 12.027 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -2.912 5.029 10.650 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -1.608 5.882 9.848 1.00 0.00 H new ATOM 415 N GLY A 29 -0.679 0.696 10.250 1.00 0.00 N ATOM 416 CA GLY A 29 -1.023 -0.602 10.801 1.00 0.00 C ATOM 417 C GLY A 29 -2.043 -1.339 9.955 1.00 0.00 C ATOM 418 O GLY A 29 -2.614 -2.339 10.390 1.00 0.00 O ATOM 0 H GLY A 29 -0.430 0.690 9.261 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -0.121 -1.208 10.887 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -1.417 -0.473 11.809 1.00 0.00 H new ATOM 422 N ASP A 30 -2.274 -0.843 8.744 1.00 0.00 N ATOM 423 CA ASP A 30 -3.233 -1.461 7.835 1.00 0.00 C ATOM 424 C ASP A 30 -2.532 -2.414 6.872 1.00 0.00 C ATOM 425 O ASP A 30 -1.310 -2.374 6.724 1.00 0.00 O ATOM 426 CB ASP A 30 -3.988 -0.387 7.051 1.00 0.00 C ATOM 427 CG ASP A 30 -5.187 0.148 7.809 1.00 0.00 C ATOM 428 OD1 ASP A 30 -5.220 0.001 9.049 1.00 0.00 O ATOM 429 OD2 ASP A 30 -6.093 0.713 7.162 1.00 0.00 O ATOM 0 H ASP A 30 -1.811 -0.015 8.369 1.00 0.00 H new ATOM 0 HA ASP A 30 -3.945 -2.033 8.430 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -3.310 0.435 6.822 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -4.319 -0.802 6.099 1.00 0.00 H new ATOM 434 N ILE A 31 -3.313 -3.269 6.221 1.00 0.00 N ATOM 435 CA ILE A 31 -2.768 -4.232 5.273 1.00 0.00 C ATOM 436 C ILE A 31 -3.078 -3.825 3.836 1.00 0.00 C ATOM 437 O ILE A 31 -4.242 -3.697 3.455 1.00 0.00 O ATOM 438 CB ILE A 31 -3.321 -5.647 5.525 1.00 0.00 C ATOM 439 CG1 ILE A 31 -2.938 -6.126 6.927 1.00 0.00 C ATOM 440 CG2 ILE A 31 -2.806 -6.613 4.469 1.00 0.00 C ATOM 441 CD1 ILE A 31 -1.466 -6.439 7.076 1.00 0.00 C ATOM 0 H ILE A 31 -4.326 -3.314 6.333 1.00 0.00 H new ATOM 0 HA ILE A 31 -1.688 -4.242 5.420 1.00 0.00 H new ATOM 0 HB ILE A 31 -4.408 -5.613 5.458 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -3.214 -5.360 7.652 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -3.517 -7.017 7.169 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -3.206 -7.609 4.661 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -3.126 -6.278 3.482 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -1.717 -6.646 4.506 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -1.266 -6.773 8.094 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -1.189 -7.226 6.375 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -0.881 -5.544 6.866 1.00 0.00 H new ATOM 453 N ILE A 32 -2.030 -3.625 3.044 1.00 0.00 N ATOM 454 CA ILE A 32 -2.191 -3.236 1.649 1.00 0.00 C ATOM 455 C ILE A 32 -1.633 -4.302 0.713 1.00 0.00 C ATOM 456 O ILE A 32 -0.453 -4.649 0.781 1.00 0.00 O ATOM 457 CB ILE A 32 -1.495 -1.894 1.355 1.00 0.00 C ATOM 458 CG1 ILE A 32 -2.113 -0.778 2.199 1.00 0.00 C ATOM 459 CG2 ILE A 32 -1.591 -1.561 -0.127 1.00 0.00 C ATOM 460 CD1 ILE A 32 -1.440 -0.592 3.540 1.00 0.00 C ATOM 0 H ILE A 32 -1.061 -3.726 3.345 1.00 0.00 H new ATOM 0 HA ILE A 32 -3.261 -3.127 1.473 1.00 0.00 H new ATOM 0 HB ILE A 32 -0.441 -1.982 1.620 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -2.062 0.158 1.643 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -3.169 -0.996 2.359 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -1.095 -0.610 -0.319 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -1.108 -2.346 -0.708 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -2.639 -1.488 -0.416 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -1.930 0.215 4.084 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -1.514 -1.515 4.115 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -0.390 -0.342 3.389 1.00 0.00 H new ATOM 472 N THR A 33 -2.488 -4.819 -0.165 1.00 0.00 N ATOM 473 CA THR A 33 -2.080 -5.845 -1.116 1.00 0.00 C ATOM 474 C THR A 33 -1.400 -5.228 -2.332 1.00 0.00 C ATOM 475 O THR A 33 -2.011 -4.459 -3.075 1.00 0.00 O ATOM 476 CB THR A 33 -3.283 -6.685 -1.585 1.00 0.00 C ATOM 477 OG1 THR A 33 -3.951 -7.257 -0.456 1.00 0.00 O ATOM 478 CG2 THR A 33 -2.835 -7.791 -2.529 1.00 0.00 C ATOM 0 H THR A 33 -3.467 -4.543 -0.237 1.00 0.00 H new ATOM 0 HA THR A 33 -1.373 -6.493 -0.598 1.00 0.00 H new ATOM 0 HB THR A 33 -3.970 -6.029 -2.119 1.00 0.00 H new ATOM 0 HG1 THR A 33 -4.715 -7.788 -0.763 1.00 0.00 H new ATOM 0 HG21 THR A 33 -3.701 -8.371 -2.847 1.00 0.00 H new ATOM 0 HG22 THR A 33 -2.352 -7.351 -3.402 1.00 0.00 H new ATOM 0 HG23 THR A 33 -2.130 -8.444 -2.015 1.00 0.00 H new ATOM 486 N LEU A 34 -0.132 -5.570 -2.532 1.00 0.00 N ATOM 487 CA LEU A 34 0.633 -5.050 -3.661 1.00 0.00 C ATOM 488 C LEU A 34 0.075 -5.569 -4.982 1.00 0.00 C ATOM 489 O LEU A 34 0.189 -6.756 -5.292 1.00 0.00 O ATOM 490 CB LEU A 34 2.106 -5.439 -3.527 1.00 0.00 C ATOM 491 CG LEU A 34 3.097 -4.602 -4.337 1.00 0.00 C ATOM 492 CD1 LEU A 34 3.304 -3.244 -3.686 1.00 0.00 C ATOM 493 CD2 LEU A 34 4.423 -5.336 -4.478 1.00 0.00 C ATOM 0 H LEU A 34 0.389 -6.205 -1.927 1.00 0.00 H new ATOM 0 HA LEU A 34 0.549 -3.963 -3.655 1.00 0.00 H new ATOM 0 HB2 LEU A 34 2.383 -5.377 -2.475 1.00 0.00 H new ATOM 0 HB3 LEU A 34 2.214 -6.482 -3.824 1.00 0.00 H new ATOM 0 HG LEU A 34 2.683 -4.445 -5.333 1.00 0.00 H new ATOM 0 HD11 LEU A 34 4.012 -2.662 -4.276 1.00 0.00 H new ATOM 0 HD12 LEU A 34 2.352 -2.715 -3.636 1.00 0.00 H new ATOM 0 HD13 LEU A 34 3.696 -3.380 -2.678 1.00 0.00 H new ATOM 0 HD21 LEU A 34 5.117 -4.726 -5.057 1.00 0.00 H new ATOM 0 HD22 LEU A 34 4.842 -5.523 -3.489 1.00 0.00 H new ATOM 0 HD23 LEU A 34 4.261 -6.285 -4.989 1.00 0.00 H new ATOM 505 N LEU A 35 -0.527 -4.674 -5.757 1.00 0.00 N ATOM 506 CA LEU A 35 -1.101 -5.041 -7.047 1.00 0.00 C ATOM 507 C LEU A 35 -0.140 -4.710 -8.184 1.00 0.00 C ATOM 508 O LEU A 35 0.138 -5.550 -9.039 1.00 0.00 O ATOM 509 CB LEU A 35 -2.431 -4.317 -7.260 1.00 0.00 C ATOM 510 CG LEU A 35 -3.488 -4.521 -6.174 1.00 0.00 C ATOM 511 CD1 LEU A 35 -4.574 -3.461 -6.280 1.00 0.00 C ATOM 512 CD2 LEU A 35 -4.090 -5.915 -6.271 1.00 0.00 C ATOM 0 H LEU A 35 -0.630 -3.689 -5.515 1.00 0.00 H new ATOM 0 HA LEU A 35 -1.277 -6.117 -7.046 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -2.230 -3.249 -7.348 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -2.850 -4.642 -8.212 1.00 0.00 H new ATOM 0 HG LEU A 35 -3.006 -4.422 -5.201 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -5.317 -3.622 -5.499 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -4.131 -2.473 -6.160 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -5.053 -3.528 -7.257 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -4.840 -6.042 -5.491 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -4.557 -6.042 -7.248 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -3.305 -6.660 -6.144 1.00 0.00 H new ATOM 524 N GLU A 36 0.365 -3.480 -8.186 1.00 0.00 N ATOM 525 CA GLU A 36 1.296 -3.039 -9.218 1.00 0.00 C ATOM 526 C GLU A 36 2.623 -2.604 -8.604 1.00 0.00 C ATOM 527 O GLU A 36 2.651 -1.903 -7.592 1.00 0.00 O ATOM 528 CB GLU A 36 0.691 -1.886 -10.023 1.00 0.00 C ATOM 529 CG GLU A 36 1.378 -1.650 -11.358 1.00 0.00 C ATOM 530 CD GLU A 36 0.526 -0.840 -12.316 1.00 0.00 C ATOM 531 OE1 GLU A 36 -0.489 -1.378 -12.806 1.00 0.00 O ATOM 532 OE2 GLU A 36 0.875 0.330 -12.577 1.00 0.00 O ATOM 0 H GLU A 36 0.145 -2.772 -7.485 1.00 0.00 H new ATOM 0 HA GLU A 36 1.483 -3.880 -9.886 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -0.365 -2.091 -10.199 1.00 0.00 H new ATOM 0 HB3 GLU A 36 0.744 -0.973 -9.430 1.00 0.00 H new ATOM 0 HG2 GLU A 36 2.322 -1.132 -11.190 1.00 0.00 H new ATOM 0 HG3 GLU A 36 1.618 -2.611 -11.814 1.00 0.00 H new ATOM 539 N ASP A 37 3.721 -3.025 -9.222 1.00 0.00 N ATOM 540 CA ASP A 37 5.052 -2.679 -8.738 1.00 0.00 C ATOM 541 C ASP A 37 5.936 -2.191 -9.881 1.00 0.00 C ATOM 542 O ASP A 37 7.113 -2.543 -9.962 1.00 0.00 O ATOM 543 CB ASP A 37 5.699 -3.886 -8.056 1.00 0.00 C ATOM 544 CG ASP A 37 5.965 -5.024 -9.022 1.00 0.00 C ATOM 545 OD1 ASP A 37 5.156 -5.212 -9.955 1.00 0.00 O ATOM 546 OD2 ASP A 37 6.982 -5.725 -8.846 1.00 0.00 O ATOM 0 H ASP A 37 3.715 -3.607 -10.060 1.00 0.00 H new ATOM 0 HA ASP A 37 4.950 -1.872 -8.012 1.00 0.00 H new ATOM 0 HB2 ASP A 37 6.637 -3.579 -7.594 1.00 0.00 H new ATOM 0 HB3 ASP A 37 5.049 -4.238 -7.255 1.00 0.00 H new ATOM 551 N SER A 38 5.361 -1.379 -10.762 1.00 0.00 N ATOM 552 CA SER A 38 6.096 -0.846 -11.903 1.00 0.00 C ATOM 553 C SER A 38 6.705 0.513 -11.570 1.00 0.00 C ATOM 554 O SER A 38 7.665 0.948 -12.205 1.00 0.00 O ATOM 555 CB SER A 38 5.173 -0.721 -13.117 1.00 0.00 C ATOM 556 OG SER A 38 4.154 0.236 -12.886 1.00 0.00 O ATOM 0 H SER A 38 4.389 -1.076 -10.708 1.00 0.00 H new ATOM 0 HA SER A 38 6.904 -1.538 -12.140 1.00 0.00 H new ATOM 0 HB2 SER A 38 5.755 -0.433 -13.992 1.00 0.00 H new ATOM 0 HB3 SER A 38 4.724 -1.689 -13.338 1.00 0.00 H new ATOM 0 HG SER A 38 3.579 0.298 -13.677 1.00 0.00 H new ATOM 562 N ASN A 39 6.138 1.180 -10.570 1.00 0.00 N ATOM 563 CA ASN A 39 6.623 2.490 -10.152 1.00 0.00 C ATOM 564 C ASN A 39 7.278 2.414 -8.776 1.00 0.00 C ATOM 565 O ASN A 39 6.666 2.765 -7.768 1.00 0.00 O ATOM 566 CB ASN A 39 5.474 3.499 -10.128 1.00 0.00 C ATOM 567 CG ASN A 39 4.925 3.784 -11.512 1.00 0.00 C ATOM 568 OD1 ASN A 39 5.641 3.683 -12.509 1.00 0.00 O ATOM 569 ND2 ASN A 39 3.648 4.143 -11.580 1.00 0.00 N ATOM 0 H ASN A 39 5.342 0.835 -10.034 1.00 0.00 H new ATOM 0 HA ASN A 39 7.371 2.820 -10.873 1.00 0.00 H new ATOM 0 HB2 ASN A 39 4.673 3.118 -9.494 1.00 0.00 H new ATOM 0 HB3 ASN A 39 5.821 4.430 -9.679 1.00 0.00 H new ATOM 0 HD21 ASN A 39 3.223 4.348 -12.484 1.00 0.00 H new ATOM 0 HD22 ASN A 39 3.092 4.214 -10.728 1.00 0.00 H new ATOM 576 N GLU A 40 8.525 1.954 -8.744 1.00 0.00 N ATOM 577 CA GLU A 40 9.261 1.832 -7.491 1.00 0.00 C ATOM 578 C GLU A 40 8.918 2.978 -6.544 1.00 0.00 C ATOM 579 O GLU A 40 8.677 2.765 -5.356 1.00 0.00 O ATOM 580 CB GLU A 40 10.768 1.812 -7.760 1.00 0.00 C ATOM 581 CG GLU A 40 11.237 0.573 -8.504 1.00 0.00 C ATOM 582 CD GLU A 40 12.719 0.609 -8.822 1.00 0.00 C ATOM 583 OE1 GLU A 40 13.514 0.920 -7.911 1.00 0.00 O ATOM 584 OE2 GLU A 40 13.083 0.327 -9.983 1.00 0.00 O ATOM 0 H GLU A 40 9.046 1.660 -9.570 1.00 0.00 H new ATOM 0 HA GLU A 40 8.970 0.894 -7.018 1.00 0.00 H new ATOM 0 HB2 GLU A 40 11.037 2.696 -8.338 1.00 0.00 H new ATOM 0 HB3 GLU A 40 11.299 1.878 -6.810 1.00 0.00 H new ATOM 0 HG2 GLU A 40 11.019 -0.311 -7.904 1.00 0.00 H new ATOM 0 HG3 GLU A 40 10.673 0.475 -9.431 1.00 0.00 H new ATOM 591 N ASP A 41 8.898 4.194 -7.080 1.00 0.00 N ATOM 592 CA ASP A 41 8.583 5.375 -6.284 1.00 0.00 C ATOM 593 C ASP A 41 7.251 5.203 -5.560 1.00 0.00 C ATOM 594 O ASP A 41 7.177 5.330 -4.338 1.00 0.00 O ATOM 595 CB ASP A 41 8.539 6.618 -7.173 1.00 0.00 C ATOM 596 CG ASP A 41 8.699 7.902 -6.382 1.00 0.00 C ATOM 597 OD1 ASP A 41 8.568 7.854 -5.141 1.00 0.00 O ATOM 598 OD2 ASP A 41 8.957 8.953 -7.004 1.00 0.00 O ATOM 0 H ASP A 41 9.096 4.387 -8.062 1.00 0.00 H new ATOM 0 HA ASP A 41 9.367 5.500 -5.538 1.00 0.00 H new ATOM 0 HB2 ASP A 41 9.330 6.554 -7.921 1.00 0.00 H new ATOM 0 HB3 ASP A 41 7.592 6.642 -7.712 1.00 0.00 H new ATOM 603 N TRP A 42 6.203 4.916 -6.322 1.00 0.00 N ATOM 604 CA TRP A 42 4.873 4.729 -5.753 1.00 0.00 C ATOM 605 C TRP A 42 4.287 3.384 -6.170 1.00 0.00 C ATOM 606 O TRP A 42 4.319 3.020 -7.345 1.00 0.00 O ATOM 607 CB TRP A 42 3.943 5.861 -6.193 1.00 0.00 C ATOM 608 CG TRP A 42 4.350 7.203 -5.662 1.00 0.00 C ATOM 609 CD1 TRP A 42 5.588 7.773 -5.738 1.00 0.00 C ATOM 610 CD2 TRP A 42 3.516 8.140 -4.973 1.00 0.00 C ATOM 611 NE1 TRP A 42 5.574 9.009 -5.137 1.00 0.00 N ATOM 612 CE2 TRP A 42 4.314 9.257 -4.661 1.00 0.00 C ATOM 613 CE3 TRP A 42 2.171 8.145 -4.591 1.00 0.00 C ATOM 614 CZ2 TRP A 42 3.812 10.366 -3.984 1.00 0.00 C ATOM 615 CZ3 TRP A 42 1.674 9.246 -3.919 1.00 0.00 C ATOM 616 CH2 TRP A 42 2.492 10.344 -3.622 1.00 0.00 C ATOM 0 H TRP A 42 6.248 4.808 -7.335 1.00 0.00 H new ATOM 0 HA TRP A 42 4.965 4.745 -4.667 1.00 0.00 H new ATOM 0 HB2 TRP A 42 3.920 5.901 -7.282 1.00 0.00 H new ATOM 0 HB3 TRP A 42 2.929 5.639 -5.861 1.00 0.00 H new ATOM 0 HD1 TRP A 42 6.451 7.320 -6.202 1.00 0.00 H new ATOM 0 HE1 TRP A 42 6.372 9.639 -5.058 1.00 0.00 H new ATOM 0 HE3 TRP A 42 1.532 7.304 -4.817 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 4.441 11.213 -3.753 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 0.637 9.260 -3.618 1.00 0.00 H new ATOM 0 HH2 TRP A 42 2.073 11.190 -3.097 1.00 0.00 H new ATOM 627 N TRP A 43 3.754 2.650 -5.199 1.00 0.00 N ATOM 628 CA TRP A 43 3.161 1.345 -5.466 1.00 0.00 C ATOM 629 C TRP A 43 1.647 1.389 -5.292 1.00 0.00 C ATOM 630 O TRP A 43 1.128 2.144 -4.469 1.00 0.00 O ATOM 631 CB TRP A 43 3.763 0.289 -4.538 1.00 0.00 C ATOM 632 CG TRP A 43 5.177 -0.069 -4.884 1.00 0.00 C ATOM 633 CD1 TRP A 43 5.755 -0.024 -6.121 1.00 0.00 C ATOM 634 CD2 TRP A 43 6.190 -0.528 -3.982 1.00 0.00 C ATOM 635 NE1 TRP A 43 7.066 -0.427 -6.042 1.00 0.00 N ATOM 636 CE2 TRP A 43 7.357 -0.741 -4.740 1.00 0.00 C ATOM 637 CE3 TRP A 43 6.224 -0.778 -2.608 1.00 0.00 C ATOM 638 CZ2 TRP A 43 8.544 -1.193 -4.169 1.00 0.00 C ATOM 639 CZ3 TRP A 43 7.403 -1.226 -2.042 1.00 0.00 C ATOM 640 CH2 TRP A 43 8.549 -1.429 -2.821 1.00 0.00 C ATOM 0 H TRP A 43 3.721 2.937 -4.221 1.00 0.00 H new ATOM 0 HA TRP A 43 3.381 1.078 -6.500 1.00 0.00 H new ATOM 0 HB2 TRP A 43 3.729 0.655 -3.512 1.00 0.00 H new ATOM 0 HB3 TRP A 43 3.148 -0.610 -4.576 1.00 0.00 H new ATOM 0 HD1 TRP A 43 5.255 0.283 -7.028 1.00 0.00 H new ATOM 0 HE1 TRP A 43 7.717 -0.483 -6.825 1.00 0.00 H new ATOM 0 HE3 TRP A 43 5.345 -0.624 -1.999 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 9.428 -1.352 -4.768 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 7.441 -1.423 -0.981 1.00 0.00 H new ATOM 0 HH2 TRP A 43 9.455 -1.779 -2.348 1.00 0.00 H new ATOM 651 N LYS A 44 0.942 0.575 -6.071 1.00 0.00 N ATOM 652 CA LYS A 44 -0.514 0.519 -6.001 1.00 0.00 C ATOM 653 C LYS A 44 -0.976 -0.733 -5.263 1.00 0.00 C ATOM 654 O LYS A 44 -0.405 -1.810 -5.430 1.00 0.00 O ATOM 655 CB LYS A 44 -1.113 0.544 -7.409 1.00 0.00 C ATOM 656 CG LYS A 44 -2.549 1.035 -7.450 1.00 0.00 C ATOM 657 CD LYS A 44 -3.254 0.593 -8.722 1.00 0.00 C ATOM 658 CE LYS A 44 -4.697 1.073 -8.756 1.00 0.00 C ATOM 659 NZ LYS A 44 -4.790 2.528 -9.062 1.00 0.00 N ATOM 0 H LYS A 44 1.355 -0.055 -6.758 1.00 0.00 H new ATOM 0 HA LYS A 44 -0.860 1.393 -5.449 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -0.501 1.184 -8.044 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -1.069 -0.460 -7.831 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -3.089 0.655 -6.583 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -2.564 2.123 -7.384 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -2.720 0.982 -9.589 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -3.230 -0.494 -8.794 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -5.250 0.508 -9.506 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -5.169 0.873 -7.794 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -5.291 3.014 -8.291 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -3.833 2.925 -9.157 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -5.311 2.663 -9.952 1.00 0.00 H new ATOM 673 N GLY A 45 -2.014 -0.583 -4.446 1.00 0.00 N ATOM 674 CA GLY A 45 -2.536 -1.710 -3.695 1.00 0.00 C ATOM 675 C GLY A 45 -4.029 -1.606 -3.455 1.00 0.00 C ATOM 676 O GLY A 45 -4.633 -0.560 -3.695 1.00 0.00 O ATOM 0 H GLY A 45 -2.503 0.299 -4.291 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -2.321 -2.633 -4.234 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -2.021 -1.774 -2.737 1.00 0.00 H new ATOM 680 N LYS A 46 -4.628 -2.694 -2.982 1.00 0.00 N ATOM 681 CA LYS A 46 -6.060 -2.722 -2.709 1.00 0.00 C ATOM 682 C LYS A 46 -6.327 -2.867 -1.215 1.00 0.00 C ATOM 683 O LYS A 46 -5.911 -3.845 -0.593 1.00 0.00 O ATOM 684 CB LYS A 46 -6.722 -3.872 -3.470 1.00 0.00 C ATOM 685 CG LYS A 46 -8.200 -4.035 -3.161 1.00 0.00 C ATOM 686 CD LYS A 46 -8.928 -4.759 -4.282 1.00 0.00 C ATOM 687 CE LYS A 46 -9.137 -3.854 -5.486 1.00 0.00 C ATOM 688 NZ LYS A 46 -9.652 -4.607 -6.663 1.00 0.00 N ATOM 0 H LYS A 46 -4.143 -3.568 -2.780 1.00 0.00 H new ATOM 0 HA LYS A 46 -6.487 -1.777 -3.046 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -6.599 -3.706 -4.540 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -6.205 -4.801 -3.230 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -8.319 -4.590 -2.231 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -8.651 -3.055 -3.007 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -8.356 -5.638 -4.581 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -9.893 -5.114 -3.921 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -9.839 -3.061 -5.227 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -8.194 -3.373 -5.747 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -9.781 -3.955 -7.463 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -8.971 -5.347 -6.926 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -10.564 -5.045 -6.423 1.00 0.00 H new ATOM 702 N ILE A 47 -7.022 -1.888 -0.645 1.00 0.00 N ATOM 703 CA ILE A 47 -7.346 -1.910 0.776 1.00 0.00 C ATOM 704 C ILE A 47 -8.769 -2.406 1.008 1.00 0.00 C ATOM 705 O ILE A 47 -9.581 -2.446 0.084 1.00 0.00 O ATOM 706 CB ILE A 47 -7.191 -0.514 1.410 1.00 0.00 C ATOM 707 CG1 ILE A 47 -5.748 -0.026 1.273 1.00 0.00 C ATOM 708 CG2 ILE A 47 -7.608 -0.548 2.872 1.00 0.00 C ATOM 709 CD1 ILE A 47 -5.480 1.277 1.993 1.00 0.00 C ATOM 0 H ILE A 47 -7.371 -1.070 -1.145 1.00 0.00 H new ATOM 0 HA ILE A 47 -6.643 -2.596 1.249 1.00 0.00 H new ATOM 0 HB ILE A 47 -7.842 0.183 0.883 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -5.076 -0.791 1.661 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -5.514 0.098 0.216 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -7.493 0.445 3.306 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -8.650 -0.858 2.946 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -6.980 -1.256 3.413 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -4.437 1.562 1.853 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -6.127 2.056 1.589 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -5.682 1.153 3.057 1.00 0.00 H new ATOM 721 N GLN A 48 -9.065 -2.780 2.249 1.00 0.00 N ATOM 722 CA GLN A 48 -10.391 -3.272 2.603 1.00 0.00 C ATOM 723 C GLN A 48 -11.463 -2.618 1.737 1.00 0.00 C ATOM 724 O GLN A 48 -12.004 -3.242 0.824 1.00 0.00 O ATOM 725 CB GLN A 48 -10.679 -3.006 4.081 1.00 0.00 C ATOM 726 CG GLN A 48 -9.890 -3.898 5.025 1.00 0.00 C ATOM 727 CD GLN A 48 -10.623 -4.166 6.325 1.00 0.00 C ATOM 728 OE1 GLN A 48 -11.451 -3.366 6.760 1.00 0.00 O ATOM 729 NE2 GLN A 48 -10.320 -5.296 6.953 1.00 0.00 N ATOM 0 H GLN A 48 -8.404 -2.752 3.026 1.00 0.00 H new ATOM 0 HA GLN A 48 -10.412 -4.347 2.425 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -10.452 -1.964 4.305 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -11.744 -3.147 4.266 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -9.677 -4.846 4.530 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -8.930 -3.430 5.243 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -9.627 -5.930 6.556 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -10.780 -5.530 7.833 1.00 0.00 H new ATOM 738 N ASP A 49 -11.766 -1.359 2.031 1.00 0.00 N ATOM 739 CA ASP A 49 -12.773 -0.619 1.279 1.00 0.00 C ATOM 740 C ASP A 49 -12.157 0.599 0.598 1.00 0.00 C ATOM 741 O ASP A 49 -12.869 1.496 0.147 1.00 0.00 O ATOM 742 CB ASP A 49 -13.911 -0.181 2.203 1.00 0.00 C ATOM 743 CG ASP A 49 -14.996 -1.233 2.324 1.00 0.00 C ATOM 744 OD1 ASP A 49 -14.805 -2.196 3.096 1.00 0.00 O ATOM 745 OD2 ASP A 49 -16.036 -1.093 1.647 1.00 0.00 O ATOM 0 H ASP A 49 -11.329 -0.829 2.785 1.00 0.00 H new ATOM 0 HA ASP A 49 -13.174 -1.279 0.510 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -13.508 0.037 3.192 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -14.346 0.744 1.825 1.00 0.00 H new ATOM 750 N ARG A 50 -10.830 0.624 0.528 1.00 0.00 N ATOM 751 CA ARG A 50 -10.119 1.732 -0.096 1.00 0.00 C ATOM 752 C ARG A 50 -9.191 1.231 -1.199 1.00 0.00 C ATOM 753 O ARG A 50 -8.680 0.113 -1.133 1.00 0.00 O ATOM 754 CB ARG A 50 -9.313 2.503 0.951 1.00 0.00 C ATOM 755 CG ARG A 50 -10.168 3.363 1.866 1.00 0.00 C ATOM 756 CD ARG A 50 -10.583 4.659 1.186 1.00 0.00 C ATOM 757 NE ARG A 50 -11.155 5.615 2.131 1.00 0.00 N ATOM 758 CZ ARG A 50 -12.402 5.544 2.583 1.00 0.00 C ATOM 759 NH1 ARG A 50 -13.203 4.568 2.180 1.00 0.00 N ATOM 760 NH2 ARG A 50 -12.849 6.452 3.442 1.00 0.00 N ATOM 0 H ARG A 50 -10.226 -0.111 0.896 1.00 0.00 H new ATOM 0 HA ARG A 50 -10.857 2.399 -0.541 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -8.748 1.794 1.556 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -8.587 3.138 0.443 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -11.057 2.807 2.164 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -9.614 3.590 2.777 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -9.717 5.106 0.698 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -11.312 4.441 0.405 1.00 0.00 H new ATOM 0 HE ARG A 50 -10.565 6.378 2.462 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -12.862 3.868 1.521 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -14.160 4.517 2.529 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -12.235 7.204 3.755 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -13.807 6.398 3.789 1.00 0.00 H new ATOM 774 N ILE A 51 -8.981 2.065 -2.212 1.00 0.00 N ATOM 775 CA ILE A 51 -8.115 1.707 -3.329 1.00 0.00 C ATOM 776 C ILE A 51 -7.414 2.936 -3.897 1.00 0.00 C ATOM 777 O ILE A 51 -7.847 4.066 -3.681 1.00 0.00 O ATOM 778 CB ILE A 51 -8.906 1.014 -4.454 1.00 0.00 C ATOM 779 CG1 ILE A 51 -9.608 -0.236 -3.920 1.00 0.00 C ATOM 780 CG2 ILE A 51 -7.982 0.656 -5.608 1.00 0.00 C ATOM 781 CD1 ILE A 51 -10.965 0.046 -3.313 1.00 0.00 C ATOM 0 H ILE A 51 -9.398 2.993 -2.282 1.00 0.00 H new ATOM 0 HA ILE A 51 -7.369 1.014 -2.941 1.00 0.00 H new ATOM 0 HB ILE A 51 -9.665 1.704 -4.822 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -9.724 -0.953 -4.733 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -8.974 -0.706 -3.169 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -8.556 0.167 -6.395 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -7.524 1.563 -6.003 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -7.203 -0.019 -5.254 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -11.404 -0.885 -2.955 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -10.854 0.739 -2.479 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -11.616 0.488 -4.067 1.00 0.00 H new ATOM 793 N GLY A 52 -6.327 2.705 -4.628 1.00 0.00 N ATOM 794 CA GLY A 52 -5.583 3.803 -5.218 1.00 0.00 C ATOM 795 C GLY A 52 -4.086 3.568 -5.194 1.00 0.00 C ATOM 796 O GLY A 52 -3.630 2.434 -5.043 1.00 0.00 O ATOM 0 H GLY A 52 -5.949 1.778 -4.822 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -5.909 3.946 -6.248 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -5.812 4.723 -4.680 1.00 0.00 H new ATOM 800 N PHE A 53 -3.318 4.642 -5.345 1.00 0.00 N ATOM 801 CA PHE A 53 -1.863 4.547 -5.342 1.00 0.00 C ATOM 802 C PHE A 53 -1.287 5.052 -4.022 1.00 0.00 C ATOM 803 O PHE A 53 -1.998 5.637 -3.205 1.00 0.00 O ATOM 804 CB PHE A 53 -1.277 5.348 -6.507 1.00 0.00 C ATOM 805 CG PHE A 53 -1.629 4.790 -7.856 1.00 0.00 C ATOM 806 CD1 PHE A 53 -0.895 3.750 -8.403 1.00 0.00 C ATOM 807 CD2 PHE A 53 -2.694 5.305 -8.577 1.00 0.00 C ATOM 808 CE1 PHE A 53 -1.216 3.235 -9.644 1.00 0.00 C ATOM 809 CE2 PHE A 53 -3.021 4.794 -9.819 1.00 0.00 C ATOM 810 CZ PHE A 53 -2.281 3.757 -10.353 1.00 0.00 C ATOM 0 H PHE A 53 -3.679 5.588 -5.471 1.00 0.00 H new ATOM 0 HA PHE A 53 -1.592 3.498 -5.458 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -1.632 6.377 -6.445 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -0.192 5.378 -6.407 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -0.062 3.337 -7.853 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -3.276 6.116 -8.164 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -0.635 2.425 -10.060 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -3.854 5.205 -10.371 1.00 0.00 H new ATOM 0 HZ PHE A 53 -2.534 3.355 -11.323 1.00 0.00 H new ATOM 820 N PHE A 54 0.006 4.820 -3.821 1.00 0.00 N ATOM 821 CA PHE A 54 0.678 5.249 -2.600 1.00 0.00 C ATOM 822 C PHE A 54 2.186 5.042 -2.708 1.00 0.00 C ATOM 823 O PHE A 54 2.668 4.164 -3.423 1.00 0.00 O ATOM 824 CB PHE A 54 0.132 4.481 -1.395 1.00 0.00 C ATOM 825 CG PHE A 54 0.344 2.997 -1.483 1.00 0.00 C ATOM 826 CD1 PHE A 54 1.603 2.451 -1.293 1.00 0.00 C ATOM 827 CD2 PHE A 54 -0.716 2.147 -1.756 1.00 0.00 C ATOM 828 CE1 PHE A 54 1.802 1.086 -1.375 1.00 0.00 C ATOM 829 CE2 PHE A 54 -0.524 0.781 -1.838 1.00 0.00 C ATOM 830 CZ PHE A 54 0.736 0.249 -1.646 1.00 0.00 C ATOM 0 H PHE A 54 0.609 4.338 -4.487 1.00 0.00 H new ATOM 0 HA PHE A 54 0.483 6.313 -2.463 1.00 0.00 H new ATOM 0 HB2 PHE A 54 0.610 4.855 -0.489 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -0.935 4.682 -1.299 1.00 0.00 H new ATOM 0 HD1 PHE A 54 2.439 3.100 -1.078 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -1.704 2.557 -1.906 1.00 0.00 H new ATOM 0 HE1 PHE A 54 2.789 0.674 -1.228 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -1.359 0.130 -2.052 1.00 0.00 H new ATOM 0 HZ PHE A 54 0.888 -0.818 -1.707 1.00 0.00 H new ATOM 840 N PRO A 55 2.950 5.871 -1.980 1.00 0.00 N ATOM 841 CA PRO A 55 4.414 5.799 -1.977 1.00 0.00 C ATOM 842 C PRO A 55 4.932 4.548 -1.275 1.00 0.00 C ATOM 843 O PRO A 55 4.331 4.071 -0.313 1.00 0.00 O ATOM 844 CB PRO A 55 4.829 7.055 -1.206 1.00 0.00 C ATOM 845 CG PRO A 55 3.662 7.367 -0.334 1.00 0.00 C ATOM 846 CD PRO A 55 2.443 6.941 -1.105 1.00 0.00 C ATOM 0 HA PRO A 55 4.821 5.747 -2.987 1.00 0.00 H new ATOM 0 HB2 PRO A 55 5.728 6.878 -0.616 1.00 0.00 H new ATOM 0 HB3 PRO A 55 5.049 7.880 -1.883 1.00 0.00 H new ATOM 0 HG2 PRO A 55 3.730 6.834 0.614 1.00 0.00 H new ATOM 0 HG3 PRO A 55 3.623 8.431 -0.100 1.00 0.00 H new ATOM 0 HD2 PRO A 55 1.655 6.580 -0.444 1.00 0.00 H new ATOM 0 HD3 PRO A 55 2.023 7.766 -1.681 1.00 0.00 H new ATOM 854 N ALA A 56 6.050 4.022 -1.763 1.00 0.00 N ATOM 855 CA ALA A 56 6.650 2.827 -1.181 1.00 0.00 C ATOM 856 C ALA A 56 7.361 3.153 0.129 1.00 0.00 C ATOM 857 O ALA A 56 7.443 2.315 1.026 1.00 0.00 O ATOM 858 CB ALA A 56 7.619 2.190 -2.165 1.00 0.00 C ATOM 0 H ALA A 56 6.559 4.404 -2.560 1.00 0.00 H new ATOM 0 HA ALA A 56 5.851 2.118 -0.964 1.00 0.00 H new ATOM 0 HB1 ALA A 56 8.059 1.299 -1.717 1.00 0.00 H new ATOM 0 HB2 ALA A 56 7.085 1.913 -3.074 1.00 0.00 H new ATOM 0 HB3 ALA A 56 8.408 2.901 -2.410 1.00 0.00 H new ATOM 864 N ASN A 57 7.873 4.375 0.231 1.00 0.00 N ATOM 865 CA ASN A 57 8.578 4.810 1.431 1.00 0.00 C ATOM 866 C ASN A 57 7.648 4.805 2.640 1.00 0.00 C ATOM 867 O ASN A 57 8.098 4.705 3.782 1.00 0.00 O ATOM 868 CB ASN A 57 9.159 6.211 1.226 1.00 0.00 C ATOM 869 CG ASN A 57 10.232 6.241 0.155 1.00 0.00 C ATOM 870 OD1 ASN A 57 9.939 6.414 -1.028 1.00 0.00 O ATOM 871 ND2 ASN A 57 11.483 6.072 0.566 1.00 0.00 N ATOM 0 H ASN A 57 7.813 5.081 -0.502 1.00 0.00 H new ATOM 0 HA ASN A 57 9.392 4.110 1.618 1.00 0.00 H new ATOM 0 HB2 ASN A 57 8.357 6.897 0.953 1.00 0.00 H new ATOM 0 HB3 ASN A 57 9.578 6.569 2.166 1.00 0.00 H new ATOM 0 HD21 ASN A 57 12.247 6.082 -0.109 1.00 0.00 H new ATOM 0 HD22 ASN A 57 11.680 5.932 1.557 1.00 0.00 H new ATOM 878 N PHE A 58 6.349 4.911 2.382 1.00 0.00 N ATOM 879 CA PHE A 58 5.355 4.919 3.449 1.00 0.00 C ATOM 880 C PHE A 58 5.082 3.503 3.948 1.00 0.00 C ATOM 881 O PHE A 58 4.861 3.284 5.139 1.00 0.00 O ATOM 882 CB PHE A 58 4.055 5.559 2.959 1.00 0.00 C ATOM 883 CG PHE A 58 4.065 7.060 3.021 1.00 0.00 C ATOM 884 CD1 PHE A 58 5.100 7.783 2.452 1.00 0.00 C ATOM 885 CD2 PHE A 58 3.038 7.747 3.648 1.00 0.00 C ATOM 886 CE1 PHE A 58 5.112 9.164 2.509 1.00 0.00 C ATOM 887 CE2 PHE A 58 3.044 9.128 3.707 1.00 0.00 C ATOM 888 CZ PHE A 58 4.082 9.837 3.136 1.00 0.00 C ATOM 0 H PHE A 58 5.960 4.993 1.443 1.00 0.00 H new ATOM 0 HA PHE A 58 5.751 5.507 4.277 1.00 0.00 H new ATOM 0 HB2 PHE A 58 3.871 5.247 1.931 1.00 0.00 H new ATOM 0 HB3 PHE A 58 3.226 5.184 3.559 1.00 0.00 H new ATOM 0 HD1 PHE A 58 5.907 7.262 1.958 1.00 0.00 H new ATOM 0 HD2 PHE A 58 2.223 7.197 4.096 1.00 0.00 H new ATOM 0 HE1 PHE A 58 5.926 9.716 2.064 1.00 0.00 H new ATOM 0 HE2 PHE A 58 2.238 9.652 4.199 1.00 0.00 H new ATOM 0 HZ PHE A 58 4.088 10.916 3.180 1.00 0.00 H new ATOM 898 N VAL A 59 5.098 2.544 3.027 1.00 0.00 N ATOM 899 CA VAL A 59 4.853 1.149 3.372 1.00 0.00 C ATOM 900 C VAL A 59 6.153 0.353 3.401 1.00 0.00 C ATOM 901 O VAL A 59 7.217 0.873 3.066 1.00 0.00 O ATOM 902 CB VAL A 59 3.881 0.487 2.378 1.00 0.00 C ATOM 903 CG1 VAL A 59 2.603 1.303 2.257 1.00 0.00 C ATOM 904 CG2 VAL A 59 4.545 0.316 1.019 1.00 0.00 C ATOM 0 H VAL A 59 5.278 2.708 2.037 1.00 0.00 H new ATOM 0 HA VAL A 59 4.405 1.143 4.366 1.00 0.00 H new ATOM 0 HB VAL A 59 3.618 -0.501 2.756 1.00 0.00 H new ATOM 0 HG11 VAL A 59 1.928 0.820 1.550 1.00 0.00 H new ATOM 0 HG12 VAL A 59 2.120 1.370 3.232 1.00 0.00 H new ATOM 0 HG13 VAL A 59 2.843 2.305 1.902 1.00 0.00 H new ATOM 0 HG21 VAL A 59 3.844 -0.153 0.328 1.00 0.00 H new ATOM 0 HG22 VAL A 59 4.838 1.292 0.632 1.00 0.00 H new ATOM 0 HG23 VAL A 59 5.429 -0.313 1.123 1.00 0.00 H new ATOM 914 N GLN A 60 6.059 -0.910 3.804 1.00 0.00 N ATOM 915 CA GLN A 60 7.228 -1.777 3.877 1.00 0.00 C ATOM 916 C GLN A 60 6.886 -3.192 3.423 1.00 0.00 C ATOM 917 O GLN A 60 5.779 -3.678 3.655 1.00 0.00 O ATOM 918 CB GLN A 60 7.780 -1.806 5.303 1.00 0.00 C ATOM 919 CG GLN A 60 6.934 -2.624 6.266 1.00 0.00 C ATOM 920 CD GLN A 60 7.740 -3.181 7.423 1.00 0.00 C ATOM 921 OE1 GLN A 60 8.934 -2.907 7.552 1.00 0.00 O ATOM 922 NE2 GLN A 60 7.091 -3.968 8.273 1.00 0.00 N ATOM 0 H GLN A 60 5.185 -1.355 4.085 1.00 0.00 H new ATOM 0 HA GLN A 60 7.989 -1.375 3.209 1.00 0.00 H new ATOM 0 HB2 GLN A 60 8.791 -2.213 5.284 1.00 0.00 H new ATOM 0 HB3 GLN A 60 7.855 -0.784 5.676 1.00 0.00 H new ATOM 0 HG2 GLN A 60 6.129 -2.001 6.656 1.00 0.00 H new ATOM 0 HG3 GLN A 60 6.467 -3.447 5.724 1.00 0.00 H new ATOM 0 HE21 GLN A 60 6.101 -4.169 8.128 1.00 0.00 H new ATOM 0 HE22 GLN A 60 7.582 -4.372 9.071 1.00 0.00 H new ATOM 931 N ARG A 61 7.842 -3.848 2.773 1.00 0.00 N ATOM 932 CA ARG A 61 7.640 -5.207 2.285 1.00 0.00 C ATOM 933 C ARG A 61 7.717 -6.213 3.429 1.00 0.00 C ATOM 934 O ARG A 61 8.689 -6.235 4.186 1.00 0.00 O ATOM 935 CB ARG A 61 8.684 -5.549 1.220 1.00 0.00 C ATOM 936 CG ARG A 61 8.648 -7.002 0.776 1.00 0.00 C ATOM 937 CD ARG A 61 9.380 -7.200 -0.542 1.00 0.00 C ATOM 938 NE ARG A 61 10.818 -7.374 -0.348 1.00 0.00 N ATOM 939 CZ ARG A 61 11.703 -7.331 -1.338 1.00 0.00 C ATOM 940 NH1 ARG A 61 11.300 -7.121 -2.584 1.00 0.00 N ATOM 941 NH2 ARG A 61 12.994 -7.497 -1.082 1.00 0.00 N ATOM 0 H ARG A 61 8.764 -3.460 2.572 1.00 0.00 H new ATOM 0 HA ARG A 61 6.646 -5.263 1.842 1.00 0.00 H new ATOM 0 HB2 ARG A 61 8.528 -4.909 0.352 1.00 0.00 H new ATOM 0 HB3 ARG A 61 9.676 -5.322 1.610 1.00 0.00 H new ATOM 0 HG2 ARG A 61 9.102 -7.629 1.543 1.00 0.00 H new ATOM 0 HG3 ARG A 61 7.613 -7.326 0.671 1.00 0.00 H new ATOM 0 HD2 ARG A 61 8.975 -8.073 -1.054 1.00 0.00 H new ATOM 0 HD3 ARG A 61 9.203 -6.340 -1.188 1.00 0.00 H new ATOM 0 HE ARG A 61 11.161 -7.537 0.599 1.00 0.00 H new ATOM 0 HH11 ARG A 61 10.308 -6.992 -2.784 1.00 0.00 H new ATOM 0 HH12 ARG A 61 11.982 -7.089 -3.342 1.00 0.00 H new ATOM 0 HH21 ARG A 61 13.308 -7.658 -0.125 1.00 0.00 H new ATOM 0 HH22 ARG A 61 13.673 -7.464 -1.842 1.00 0.00 H new ATOM 955 N LEU A 62 6.688 -7.044 3.550 1.00 0.00 N ATOM 956 CA LEU A 62 6.638 -8.052 4.602 1.00 0.00 C ATOM 957 C LEU A 62 7.187 -9.386 4.105 1.00 0.00 C ATOM 958 O LEU A 62 7.300 -9.612 2.900 1.00 0.00 O ATOM 959 CB LEU A 62 5.201 -8.232 5.096 1.00 0.00 C ATOM 960 CG LEU A 62 4.704 -7.196 6.105 1.00 0.00 C ATOM 961 CD1 LEU A 62 3.193 -7.050 6.019 1.00 0.00 C ATOM 962 CD2 LEU A 62 5.125 -7.580 7.516 1.00 0.00 C ATOM 0 H LEU A 62 5.877 -7.039 2.932 1.00 0.00 H new ATOM 0 HA LEU A 62 7.260 -7.709 5.429 1.00 0.00 H new ATOM 0 HB2 LEU A 62 4.536 -8.217 4.232 1.00 0.00 H new ATOM 0 HB3 LEU A 62 5.114 -9.220 5.547 1.00 0.00 H new ATOM 0 HG LEU A 62 5.156 -6.234 5.862 1.00 0.00 H new ATOM 0 HD11 LEU A 62 2.857 -6.309 6.744 1.00 0.00 H new ATOM 0 HD12 LEU A 62 2.915 -6.728 5.015 1.00 0.00 H new ATOM 0 HD13 LEU A 62 2.722 -8.009 6.236 1.00 0.00 H new ATOM 0 HD21 LEU A 62 4.763 -6.831 8.220 1.00 0.00 H new ATOM 0 HD22 LEU A 62 4.702 -8.552 7.770 1.00 0.00 H new ATOM 0 HD23 LEU A 62 6.212 -7.632 7.570 1.00 0.00 H new