USER MOD reduce.3.24.130724 H: found=0, std=0, add=441, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 442 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 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 180:sc= 0.155 USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot 140:sc= 0.0665 USER MOD Single : A 21 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 22 CYS SG : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 28 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 GLN : amide:sc= 0 X(o=0,f=-0.0066) USER MOD Single : A 49 SER OG : rot 49:sc= 1.25 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 63 GLN : amide:sc= -1.71! C(o=-1.7!,f=-2.3!) USER MOD ----------------------------------------------------------------- ATOM 77 N GLY A 9 3.117 -4.468 -2.589 1.00 0.00 N ATOM 78 CA GLY A 9 2.477 -4.288 -1.299 1.00 0.00 C ATOM 79 C GLY A 9 2.559 -2.857 -0.806 1.00 0.00 C ATOM 80 O GLY A 9 2.909 -2.610 0.348 1.00 0.00 O ATOM 0 HA2 GLY A 9 1.431 -4.585 -1.371 1.00 0.00 H new ATOM 0 HA3 GLY A 9 2.946 -4.948 -0.569 1.00 0.00 H new ATOM 84 N TYR A 10 2.238 -1.912 -1.682 1.00 0.00 N ATOM 85 CA TYR A 10 2.281 -0.497 -1.331 1.00 0.00 C ATOM 86 C TYR A 10 1.086 0.247 -1.920 1.00 0.00 C ATOM 87 O TYR A 10 0.885 0.259 -3.135 1.00 0.00 O ATOM 88 CB TYR A 10 3.583 0.133 -1.826 1.00 0.00 C ATOM 89 CG TYR A 10 4.718 0.040 -0.831 1.00 0.00 C ATOM 90 CD1 TYR A 10 4.902 1.019 0.137 1.00 0.00 C ATOM 91 CD2 TYR A 10 5.605 -1.029 -0.859 1.00 0.00 C ATOM 92 CE1 TYR A 10 5.938 0.938 1.047 1.00 0.00 C ATOM 93 CE2 TYR A 10 6.643 -1.119 0.049 1.00 0.00 C ATOM 94 CZ TYR A 10 6.805 -0.133 0.999 1.00 0.00 C ATOM 95 OH TYR A 10 7.838 -0.218 1.905 1.00 0.00 O ATOM 0 H TYR A 10 1.945 -2.100 -2.641 1.00 0.00 H new ATOM 0 HA TYR A 10 2.236 -0.416 -0.245 1.00 0.00 H new ATOM 0 HB2 TYR A 10 3.883 -0.355 -2.753 1.00 0.00 H new ATOM 0 HB3 TYR A 10 3.403 1.182 -2.062 1.00 0.00 H new ATOM 0 HD1 TYR A 10 4.223 1.858 0.179 1.00 0.00 H new ATOM 0 HD2 TYR A 10 5.481 -1.802 -1.603 1.00 0.00 H new ATOM 0 HE1 TYR A 10 6.068 1.709 1.792 1.00 0.00 H new ATOM 0 HE2 TYR A 10 7.323 -1.957 0.015 1.00 0.00 H new ATOM 0 HH TYR A 10 8.355 -1.033 1.736 1.00 0.00 H new ATOM 105 N VAL A 11 0.296 0.867 -1.050 1.00 0.00 N ATOM 106 CA VAL A 11 -0.879 1.615 -1.482 1.00 0.00 C ATOM 107 C VAL A 11 -0.755 3.090 -1.117 1.00 0.00 C ATOM 108 O VAL A 11 -0.236 3.436 -0.055 1.00 0.00 O ATOM 109 CB VAL A 11 -2.167 1.049 -0.856 1.00 0.00 C ATOM 110 CG1 VAL A 11 -2.335 -0.419 -1.217 1.00 0.00 C ATOM 111 CG2 VAL A 11 -2.153 1.237 0.653 1.00 0.00 C ATOM 0 H VAL A 11 0.448 0.866 -0.041 1.00 0.00 H new ATOM 0 HA VAL A 11 -0.937 1.515 -2.566 1.00 0.00 H new ATOM 0 HB VAL A 11 -3.018 1.598 -1.259 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -3.250 -0.802 -0.766 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -2.393 -0.523 -2.300 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -1.482 -0.985 -0.844 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -3.071 0.831 1.079 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -1.295 0.715 1.077 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -2.083 2.299 0.887 1.00 0.00 H new ATOM 121 N ILE A 12 -1.236 3.956 -2.003 1.00 0.00 N ATOM 122 CA ILE A 12 -1.180 5.394 -1.773 1.00 0.00 C ATOM 123 C ILE A 12 -2.554 5.945 -1.407 1.00 0.00 C ATOM 124 O ILE A 12 -3.581 5.373 -1.770 1.00 0.00 O ATOM 125 CB ILE A 12 -0.652 6.142 -3.011 1.00 0.00 C ATOM 126 CG1 ILE A 12 -0.284 7.582 -2.645 1.00 0.00 C ATOM 127 CG2 ILE A 12 -1.689 6.122 -4.124 1.00 0.00 C ATOM 128 CD1 ILE A 12 0.668 8.230 -3.627 1.00 0.00 C ATOM 0 H ILE A 12 -1.669 3.687 -2.886 1.00 0.00 H new ATOM 0 HA ILE A 12 -0.493 5.555 -0.942 1.00 0.00 H new ATOM 0 HB ILE A 12 0.245 5.636 -3.368 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -1.195 8.178 -2.587 1.00 0.00 H new ATOM 0 HG13 ILE A 12 0.167 7.592 -1.653 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -1.301 6.655 -4.992 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -1.908 5.090 -4.399 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -2.602 6.607 -3.779 1.00 0.00 H new ATOM 0 HD11 ILE A 12 0.885 9.249 -3.305 1.00 0.00 H new ATOM 0 HD12 ILE A 12 1.594 7.657 -3.668 1.00 0.00 H new ATOM 0 HD13 ILE A 12 0.211 8.252 -4.616 1.00 0.00 H new ATOM 140 N ALA A 13 -2.565 7.062 -0.687 1.00 0.00 N ATOM 141 CA ALA A 13 -3.812 7.694 -0.275 1.00 0.00 C ATOM 142 C ALA A 13 -4.366 8.588 -1.380 1.00 0.00 C ATOM 143 O ALA A 13 -3.634 9.374 -1.981 1.00 0.00 O ATOM 144 CB ALA A 13 -3.602 8.496 1.000 1.00 0.00 C ATOM 0 H ALA A 13 -1.724 7.548 -0.377 1.00 0.00 H new ATOM 0 HA ALA A 13 -4.541 6.908 -0.080 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -4.542 8.962 1.296 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -3.260 7.833 1.795 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -2.853 9.268 0.825 1.00 0.00 H new ATOM 150 N LEU A 14 -5.662 8.462 -1.642 1.00 0.00 N ATOM 151 CA LEU A 14 -6.314 9.258 -2.676 1.00 0.00 C ATOM 152 C LEU A 14 -6.859 10.560 -2.098 1.00 0.00 C ATOM 153 O LEU A 14 -6.918 11.580 -2.785 1.00 0.00 O ATOM 154 CB LEU A 14 -7.448 8.461 -3.323 1.00 0.00 C ATOM 155 CG LEU A 14 -7.062 7.104 -3.913 1.00 0.00 C ATOM 156 CD1 LEU A 14 -8.296 6.237 -4.110 1.00 0.00 C ATOM 157 CD2 LEU A 14 -6.321 7.286 -5.230 1.00 0.00 C ATOM 0 H LEU A 14 -6.282 7.816 -1.153 1.00 0.00 H new ATOM 0 HA LEU A 14 -5.570 9.501 -3.435 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -8.226 8.302 -2.576 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -7.886 9.068 -4.115 1.00 0.00 H new ATOM 0 HG LEU A 14 -6.397 6.600 -3.211 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -8.002 5.275 -4.531 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -8.786 6.078 -3.149 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -8.986 6.735 -4.791 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -6.054 6.310 -5.635 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -6.962 7.810 -5.939 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -5.415 7.868 -5.060 1.00 0.00 H new ATOM 169 N ARG A 15 -7.253 10.519 -0.829 1.00 0.00 N ATOM 170 CA ARG A 15 -7.792 11.696 -0.158 1.00 0.00 C ATOM 171 C ARG A 15 -7.088 11.931 1.175 1.00 0.00 C ATOM 172 O ARG A 15 -6.262 11.124 1.603 1.00 0.00 O ATOM 173 CB ARG A 15 -9.296 11.536 0.069 1.00 0.00 C ATOM 174 CG ARG A 15 -9.696 10.149 0.545 1.00 0.00 C ATOM 175 CD ARG A 15 -11.039 10.170 1.259 1.00 0.00 C ATOM 176 NE ARG A 15 -12.142 10.441 0.342 1.00 0.00 N ATOM 177 CZ ARG A 15 -13.422 10.316 0.674 1.00 0.00 C ATOM 178 NH1 ARG A 15 -13.758 9.926 1.897 1.00 0.00 N ATOM 179 NH2 ARG A 15 -14.370 10.581 -0.216 1.00 0.00 N ATOM 0 H ARG A 15 -7.209 9.684 -0.245 1.00 0.00 H new ATOM 0 HA ARG A 15 -7.618 12.560 -0.799 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -9.624 12.272 0.803 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -9.821 11.757 -0.860 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -9.746 9.471 -0.307 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -8.931 9.759 1.217 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -11.203 9.211 1.750 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -11.022 10.930 2.040 1.00 0.00 H new ATOM 0 HE ARG A 15 -11.917 10.743 -0.606 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -13.033 9.722 2.584 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -14.742 9.831 2.150 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -14.116 10.881 -1.157 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -15.352 10.484 0.041 1.00 0.00 H new ATOM 193 N SER A 16 -7.419 13.042 1.826 1.00 0.00 N ATOM 194 CA SER A 16 -6.816 13.386 3.108 1.00 0.00 C ATOM 195 C SER A 16 -7.656 12.853 4.264 1.00 0.00 C ATOM 196 O SER A 16 -8.706 13.407 4.590 1.00 0.00 O ATOM 197 CB SER A 16 -6.661 14.903 3.232 1.00 0.00 C ATOM 198 OG SER A 16 -5.537 15.362 2.501 1.00 0.00 O ATOM 0 H SER A 16 -8.102 13.719 1.486 1.00 0.00 H new ATOM 0 HA SER A 16 -5.831 12.922 3.154 1.00 0.00 H new ATOM 0 HB2 SER A 16 -7.562 15.395 2.866 1.00 0.00 H new ATOM 0 HB3 SER A 16 -6.552 15.176 4.282 1.00 0.00 H new ATOM 0 HG SER A 16 -5.461 16.335 2.595 1.00 0.00 H new ATOM 204 N TYR A 17 -7.186 11.774 4.880 1.00 0.00 N ATOM 205 CA TYR A 17 -7.894 11.163 5.999 1.00 0.00 C ATOM 206 C TYR A 17 -7.346 11.667 7.331 1.00 0.00 C ATOM 207 O TYR A 17 -6.401 11.100 7.880 1.00 0.00 O ATOM 208 CB TYR A 17 -7.780 9.640 5.931 1.00 0.00 C ATOM 209 CG TYR A 17 -8.912 8.916 6.626 1.00 0.00 C ATOM 210 CD1 TYR A 17 -10.115 8.678 5.972 1.00 0.00 C ATOM 211 CD2 TYR A 17 -8.779 8.472 7.936 1.00 0.00 C ATOM 212 CE1 TYR A 17 -11.152 8.019 6.603 1.00 0.00 C ATOM 213 CE2 TYR A 17 -9.811 7.811 8.573 1.00 0.00 C ATOM 214 CZ TYR A 17 -10.995 7.586 7.903 1.00 0.00 C ATOM 215 OH TYR A 17 -12.025 6.929 8.536 1.00 0.00 O ATOM 0 H TYR A 17 -6.318 11.304 4.623 1.00 0.00 H new ATOM 0 HA TYR A 17 -8.945 11.445 5.929 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -7.751 9.333 4.886 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -6.835 9.334 6.380 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -10.241 9.014 4.953 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -7.854 8.647 8.465 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -12.081 7.844 6.081 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -9.691 7.472 9.591 1.00 0.00 H new ATOM 0 HH TYR A 17 -11.751 6.691 9.446 1.00 0.00 H new ATOM 225 N ILE A 18 -7.946 12.735 7.845 1.00 0.00 N ATOM 226 CA ILE A 18 -7.520 13.314 9.112 1.00 0.00 C ATOM 227 C ILE A 18 -8.518 13.003 10.222 1.00 0.00 C ATOM 228 O ILE A 18 -9.695 13.355 10.132 1.00 0.00 O ATOM 229 CB ILE A 18 -7.350 14.841 9.005 1.00 0.00 C ATOM 230 CG1 ILE A 18 -6.237 15.184 8.013 1.00 0.00 C ATOM 231 CG2 ILE A 18 -7.051 15.439 10.371 1.00 0.00 C ATOM 232 CD1 ILE A 18 -4.867 14.720 8.458 1.00 0.00 C ATOM 0 H ILE A 18 -8.729 13.217 7.403 1.00 0.00 H new ATOM 0 HA ILE A 18 -6.557 12.865 9.355 1.00 0.00 H new ATOM 0 HB ILE A 18 -8.283 15.270 8.639 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -6.469 14.732 7.048 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -6.215 16.263 7.863 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -6.934 16.519 10.278 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -7.874 15.221 11.052 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -6.131 15.007 10.764 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -4.127 14.997 7.707 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -4.614 15.192 9.408 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -4.872 13.637 8.581 1.00 0.00 H new ATOM 244 N THR A 19 -8.040 12.341 11.272 1.00 0.00 N ATOM 245 CA THR A 19 -8.890 11.981 12.400 1.00 0.00 C ATOM 246 C THR A 19 -8.220 12.330 13.725 1.00 0.00 C ATOM 247 O THR A 19 -6.999 12.247 13.855 1.00 0.00 O ATOM 248 CB THR A 19 -9.232 10.480 12.390 1.00 0.00 C ATOM 249 OG1 THR A 19 -9.617 10.056 13.703 1.00 0.00 O ATOM 250 CG2 THR A 19 -8.044 9.657 11.915 1.00 0.00 C ATOM 0 H THR A 19 -7.069 12.044 11.364 1.00 0.00 H new ATOM 0 HA THR A 19 -9.811 12.555 12.298 1.00 0.00 H new ATOM 0 HB THR A 19 -10.061 10.324 11.700 1.00 0.00 H new ATOM 0 HG1 THR A 19 -10.370 9.432 13.638 1.00 0.00 H new ATOM 0 HG21 THR A 19 -8.310 8.600 11.916 1.00 0.00 H new ATOM 0 HG22 THR A 19 -7.771 9.961 10.904 1.00 0.00 H new ATOM 0 HG23 THR A 19 -7.198 9.819 12.583 1.00 0.00 H new ATOM 258 N ASP A 20 -9.027 12.719 14.706 1.00 0.00 N ATOM 259 CA ASP A 20 -8.512 13.079 16.022 1.00 0.00 C ATOM 260 C ASP A 20 -8.556 11.882 16.968 1.00 0.00 C ATOM 261 O ASP A 20 -8.650 12.043 18.184 1.00 0.00 O ATOM 262 CB ASP A 20 -9.318 14.238 16.609 1.00 0.00 C ATOM 263 CG ASP A 20 -8.500 15.090 17.558 1.00 0.00 C ATOM 264 OD1 ASP A 20 -7.645 14.527 18.275 1.00 0.00 O ATOM 265 OD2 ASP A 20 -8.712 16.320 17.585 1.00 0.00 O ATOM 0 H ASP A 20 -10.040 12.793 14.615 1.00 0.00 H new ATOM 0 HA ASP A 20 -7.474 13.391 15.906 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -9.695 14.862 15.798 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -10.186 13.843 17.137 1.00 0.00 H new ATOM 270 N ASN A 21 -8.489 10.683 16.400 1.00 0.00 N ATOM 271 CA ASN A 21 -8.522 9.459 17.192 1.00 0.00 C ATOM 272 C ASN A 21 -7.189 8.721 17.110 1.00 0.00 C ATOM 273 O ASN A 21 -6.412 8.925 16.177 1.00 0.00 O ATOM 274 CB ASN A 21 -9.653 8.547 16.713 1.00 0.00 C ATOM 275 CG ASN A 21 -11.004 8.962 17.265 1.00 0.00 C ATOM 276 OD1 ASN A 21 -11.563 8.293 18.135 1.00 0.00 O ATOM 277 ND2 ASN A 21 -11.534 10.070 16.761 1.00 0.00 N ATOM 0 H ASN A 21 -8.412 10.533 15.394 1.00 0.00 H new ATOM 0 HA ASN A 21 -8.701 9.734 18.231 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -9.689 8.559 15.624 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -9.441 7.521 17.013 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -12.440 10.399 17.094 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -11.035 10.592 16.041 1.00 0.00 H new ATOM 284 N CYS A 22 -6.933 7.862 18.090 1.00 0.00 N ATOM 285 CA CYS A 22 -5.695 7.093 18.129 1.00 0.00 C ATOM 286 C CYS A 22 -5.846 5.780 17.368 1.00 0.00 C ATOM 287 O CYS A 22 -5.085 5.496 16.443 1.00 0.00 O ATOM 288 CB CYS A 22 -5.289 6.814 19.577 1.00 0.00 C ATOM 289 SG CYS A 22 -3.796 5.807 19.744 1.00 0.00 S ATOM 0 H CYS A 22 -7.567 7.681 18.868 1.00 0.00 H new ATOM 0 HA CYS A 22 -4.915 7.683 17.648 1.00 0.00 H new ATOM 0 HB2 CYS A 22 -5.133 7.764 20.089 1.00 0.00 H new ATOM 0 HB3 CYS A 22 -6.112 6.311 20.083 1.00 0.00 H new ATOM 0 HG CYS A 22 -3.533 5.627 21.004 1.00 0.00 H new ATOM 295 N SER A 23 -6.832 4.982 17.766 1.00 0.00 N ATOM 296 CA SER A 23 -7.079 3.696 17.125 1.00 0.00 C ATOM 297 C SER A 23 -6.938 3.808 15.610 1.00 0.00 C ATOM 298 O SER A 23 -6.328 2.953 14.966 1.00 0.00 O ATOM 299 CB SER A 23 -8.477 3.185 17.482 1.00 0.00 C ATOM 300 OG SER A 23 -8.487 2.584 18.765 1.00 0.00 O ATOM 0 H SER A 23 -7.472 5.203 18.529 1.00 0.00 H new ATOM 0 HA SER A 23 -6.336 2.987 17.490 1.00 0.00 H new ATOM 0 HB2 SER A 23 -9.187 4.012 17.459 1.00 0.00 H new ATOM 0 HB3 SER A 23 -8.805 2.462 16.735 1.00 0.00 H new ATOM 0 HG SER A 23 -9.391 2.267 18.971 1.00 0.00 H new ATOM 306 N LEU A 24 -7.507 4.868 15.046 1.00 0.00 N ATOM 307 CA LEU A 24 -7.446 5.093 13.606 1.00 0.00 C ATOM 308 C LEU A 24 -6.106 5.704 13.207 1.00 0.00 C ATOM 309 O LEU A 24 -5.273 6.013 14.061 1.00 0.00 O ATOM 310 CB LEU A 24 -8.588 6.009 13.164 1.00 0.00 C ATOM 311 CG LEU A 24 -10.000 5.444 13.322 1.00 0.00 C ATOM 312 CD1 LEU A 24 -11.040 6.521 13.052 1.00 0.00 C ATOM 313 CD2 LEU A 24 -10.207 4.256 12.393 1.00 0.00 C ATOM 0 H LEU A 24 -8.016 5.585 15.564 1.00 0.00 H new ATOM 0 HA LEU A 24 -7.548 4.129 13.108 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -8.524 6.937 13.732 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -8.436 6.266 12.116 1.00 0.00 H new ATOM 0 HG LEU A 24 -10.120 5.101 14.350 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -12.039 6.100 13.169 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -10.907 7.341 13.758 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -10.921 6.895 12.035 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -11.217 3.867 12.519 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -10.067 4.573 11.360 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -9.485 3.476 12.634 1.00 0.00 H new ATOM 325 N LEU A 25 -5.905 5.878 11.905 1.00 0.00 N ATOM 326 CA LEU A 25 -4.667 6.455 11.393 1.00 0.00 C ATOM 327 C LEU A 25 -4.944 7.747 10.630 1.00 0.00 C ATOM 328 O LEU A 25 -5.912 7.839 9.875 1.00 0.00 O ATOM 329 CB LEU A 25 -3.954 5.454 10.482 1.00 0.00 C ATOM 330 CG LEU A 25 -2.800 6.011 9.648 1.00 0.00 C ATOM 331 CD1 LEU A 25 -1.604 6.327 10.533 1.00 0.00 C ATOM 332 CD2 LEU A 25 -2.410 5.027 8.554 1.00 0.00 C ATOM 0 H LEU A 25 -6.583 5.628 11.185 1.00 0.00 H new ATOM 0 HA LEU A 25 -4.024 6.687 12.242 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -3.571 4.641 11.098 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -4.690 5.021 9.804 1.00 0.00 H new ATOM 0 HG LEU A 25 -3.132 6.936 9.177 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -0.793 6.722 9.921 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -1.890 7.068 11.280 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -1.271 5.418 11.033 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -1.587 5.439 7.970 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -2.098 4.085 9.006 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -3.265 4.850 7.902 1.00 0.00 H new ATOM 344 N SER A 26 -4.085 8.742 10.830 1.00 0.00 N ATOM 345 CA SER A 26 -4.238 10.029 10.162 1.00 0.00 C ATOM 346 C SER A 26 -3.115 10.254 9.153 1.00 0.00 C ATOM 347 O SER A 26 -1.935 10.149 9.487 1.00 0.00 O ATOM 348 CB SER A 26 -4.250 11.162 11.189 1.00 0.00 C ATOM 349 OG SER A 26 -3.862 12.391 10.598 1.00 0.00 O ATOM 0 H SER A 26 -3.277 8.681 11.449 1.00 0.00 H new ATOM 0 HA SER A 26 -5.188 10.023 9.627 1.00 0.00 H new ATOM 0 HB2 SER A 26 -5.248 11.259 11.616 1.00 0.00 H new ATOM 0 HB3 SER A 26 -3.575 10.920 12.010 1.00 0.00 H new ATOM 0 HG SER A 26 -3.879 13.099 11.275 1.00 0.00 H new ATOM 355 N PHE A 27 -3.493 10.563 7.917 1.00 0.00 N ATOM 356 CA PHE A 27 -2.519 10.802 6.858 1.00 0.00 C ATOM 357 C PHE A 27 -3.062 11.795 5.834 1.00 0.00 C ATOM 358 O PHE A 27 -4.252 12.112 5.830 1.00 0.00 O ATOM 359 CB PHE A 27 -2.154 9.487 6.166 1.00 0.00 C ATOM 360 CG PHE A 27 -3.348 8.701 5.703 1.00 0.00 C ATOM 361 CD1 PHE A 27 -4.120 9.150 4.644 1.00 0.00 C ATOM 362 CD2 PHE A 27 -3.696 7.514 6.327 1.00 0.00 C ATOM 363 CE1 PHE A 27 -5.220 8.429 4.217 1.00 0.00 C ATOM 364 CE2 PHE A 27 -4.794 6.789 5.904 1.00 0.00 C ATOM 365 CZ PHE A 27 -5.556 7.247 4.847 1.00 0.00 C ATOM 0 H PHE A 27 -4.466 10.654 7.624 1.00 0.00 H new ATOM 0 HA PHE A 27 -1.623 11.227 7.311 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -1.516 9.702 5.309 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -1.570 8.874 6.853 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -3.860 10.073 4.147 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -3.103 7.151 7.153 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -5.816 8.790 3.392 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -5.056 5.866 6.399 1.00 0.00 H new ATOM 0 HZ PHE A 27 -6.414 6.681 4.514 1.00 0.00 H new ATOM 375 N HIS A 28 -2.181 12.283 4.967 1.00 0.00 N ATOM 376 CA HIS A 28 -2.570 13.240 3.938 1.00 0.00 C ATOM 377 C HIS A 28 -2.638 12.569 2.569 1.00 0.00 C ATOM 378 O HIS A 28 -1.988 11.550 2.334 1.00 0.00 O ATOM 379 CB HIS A 28 -1.584 14.408 3.898 1.00 0.00 C ATOM 380 CG HIS A 28 -1.440 15.115 5.210 1.00 0.00 C ATOM 381 ND1 HIS A 28 -0.399 14.878 6.083 1.00 0.00 N ATOM 382 CD2 HIS A 28 -2.212 16.061 5.795 1.00 0.00 C ATOM 383 CE1 HIS A 28 -0.538 15.645 7.149 1.00 0.00 C ATOM 384 NE2 HIS A 28 -1.630 16.373 6.999 1.00 0.00 N ATOM 0 H HIS A 28 -1.193 12.031 4.957 1.00 0.00 H new ATOM 0 HA HIS A 28 -3.561 13.620 4.187 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -0.608 14.038 3.585 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -1.911 15.123 3.143 1.00 0.00 H new ATOM 0 HD2 HIS A 28 -3.117 16.490 5.390 1.00 0.00 H new ATOM 0 HE1 HIS A 28 0.128 15.672 7.999 1.00 0.00 H new ATOM 0 HE2 HIS A 28 -1.984 17.056 7.669 1.00 0.00 H new ATOM 393 N ARG A 29 -3.430 13.146 1.671 1.00 0.00 N ATOM 394 CA ARG A 29 -3.584 12.603 0.327 1.00 0.00 C ATOM 395 C ARG A 29 -2.241 12.553 -0.396 1.00 0.00 C ATOM 396 O ARG A 29 -1.460 13.501 -0.343 1.00 0.00 O ATOM 397 CB ARG A 29 -4.577 13.445 -0.476 1.00 0.00 C ATOM 398 CG ARG A 29 -4.004 14.768 -0.957 1.00 0.00 C ATOM 399 CD ARG A 29 -4.988 15.510 -1.848 1.00 0.00 C ATOM 400 NE ARG A 29 -4.816 16.958 -1.765 1.00 0.00 N ATOM 401 CZ ARG A 29 -3.890 17.628 -2.442 1.00 0.00 C ATOM 402 NH1 ARG A 29 -3.057 16.984 -3.247 1.00 0.00 N ATOM 403 NH2 ARG A 29 -3.796 18.946 -2.314 1.00 0.00 N ATOM 0 H ARG A 29 -3.975 13.989 1.850 1.00 0.00 H new ATOM 0 HA ARG A 29 -3.968 11.587 0.415 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -4.914 12.870 -1.338 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -5.455 13.641 0.139 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -3.749 15.389 -0.098 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -3.079 14.587 -1.505 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -4.856 15.188 -2.881 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -6.006 15.249 -1.560 1.00 0.00 H new ATOM 0 HE ARG A 29 -5.441 17.484 -1.154 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -3.126 15.971 -3.348 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -2.347 17.501 -3.766 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -4.435 19.445 -1.695 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -3.085 19.459 -2.834 1.00 0.00 H new ATOM 417 N GLY A 30 -1.980 11.438 -1.073 1.00 0.00 N ATOM 418 CA GLY A 30 -0.731 11.284 -1.796 1.00 0.00 C ATOM 419 C GLY A 30 0.315 10.536 -0.994 1.00 0.00 C ATOM 420 O GLY A 30 1.235 9.945 -1.560 1.00 0.00 O ATOM 0 H GLY A 30 -2.611 10.639 -1.133 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -0.918 10.752 -2.729 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -0.345 12.268 -2.062 1.00 0.00 H new ATOM 424 N ASP A 31 0.177 10.563 0.326 1.00 0.00 N ATOM 425 CA ASP A 31 1.119 9.883 1.208 1.00 0.00 C ATOM 426 C ASP A 31 1.089 8.376 0.975 1.00 0.00 C ATOM 427 O ASP A 31 0.019 7.769 0.904 1.00 0.00 O ATOM 428 CB ASP A 31 0.796 10.193 2.671 1.00 0.00 C ATOM 429 CG ASP A 31 1.933 9.827 3.604 1.00 0.00 C ATOM 430 OD1 ASP A 31 2.993 9.392 3.106 1.00 0.00 O ATOM 431 OD2 ASP A 31 1.763 9.974 4.833 1.00 0.00 O ATOM 0 H ASP A 31 -0.578 11.049 0.810 1.00 0.00 H new ATOM 0 HA ASP A 31 2.121 10.248 0.981 1.00 0.00 H new ATOM 0 HB2 ASP A 31 0.573 11.255 2.774 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -0.101 9.649 2.965 1.00 0.00 H new ATOM 436 N LEU A 32 2.269 7.777 0.857 1.00 0.00 N ATOM 437 CA LEU A 32 2.379 6.340 0.631 1.00 0.00 C ATOM 438 C LEU A 32 2.258 5.572 1.944 1.00 0.00 C ATOM 439 O LEU A 32 3.141 5.643 2.799 1.00 0.00 O ATOM 440 CB LEU A 32 3.711 6.011 -0.045 1.00 0.00 C ATOM 441 CG LEU A 32 4.029 4.524 -0.211 1.00 0.00 C ATOM 442 CD1 LEU A 32 3.190 3.920 -1.327 1.00 0.00 C ATOM 443 CD2 LEU A 32 5.512 4.325 -0.489 1.00 0.00 C ATOM 0 H LEU A 32 3.163 8.264 0.914 1.00 0.00 H new ATOM 0 HA LEU A 32 1.562 6.036 -0.023 1.00 0.00 H new ATOM 0 HB2 LEU A 32 3.720 6.477 -1.031 1.00 0.00 H new ATOM 0 HB3 LEU A 32 4.513 6.471 0.533 1.00 0.00 H new ATOM 0 HG LEU A 32 3.781 4.012 0.719 1.00 0.00 H new ATOM 0 HD11 LEU A 32 3.430 2.862 -1.431 1.00 0.00 H new ATOM 0 HD12 LEU A 32 2.132 4.031 -1.088 1.00 0.00 H new ATOM 0 HD13 LEU A 32 3.406 4.434 -2.264 1.00 0.00 H new ATOM 0 HD21 LEU A 32 5.721 3.261 -0.604 1.00 0.00 H new ATOM 0 HD22 LEU A 32 5.784 4.850 -1.405 1.00 0.00 H new ATOM 0 HD23 LEU A 32 6.094 4.721 0.343 1.00 0.00 H new ATOM 455 N ILE A 33 1.161 4.838 2.095 1.00 0.00 N ATOM 456 CA ILE A 33 0.927 4.054 3.301 1.00 0.00 C ATOM 457 C ILE A 33 1.642 2.709 3.230 1.00 0.00 C ATOM 458 O ILE A 33 1.387 1.904 2.333 1.00 0.00 O ATOM 459 CB ILE A 33 -0.576 3.813 3.533 1.00 0.00 C ATOM 460 CG1 ILE A 33 -1.298 5.141 3.768 1.00 0.00 C ATOM 461 CG2 ILE A 33 -0.786 2.874 4.712 1.00 0.00 C ATOM 462 CD1 ILE A 33 -2.761 5.109 3.386 1.00 0.00 C ATOM 0 H ILE A 33 0.420 4.770 1.397 1.00 0.00 H new ATOM 0 HA ILE A 33 1.327 4.631 4.135 1.00 0.00 H new ATOM 0 HB ILE A 33 -0.996 3.346 2.642 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -1.211 5.411 4.820 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -0.798 5.923 3.196 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -1.853 2.713 4.864 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -0.301 1.920 4.508 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -0.354 3.316 5.610 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -3.209 6.084 3.579 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -2.855 4.870 2.327 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -3.275 4.350 3.976 1.00 0.00 H new ATOM 474 N LYS A 34 2.537 2.469 4.182 1.00 0.00 N ATOM 475 CA LYS A 34 3.287 1.220 4.230 1.00 0.00 C ATOM 476 C LYS A 34 2.446 0.103 4.840 1.00 0.00 C ATOM 477 O LYS A 34 1.936 0.234 5.954 1.00 0.00 O ATOM 478 CB LYS A 34 4.573 1.405 5.040 1.00 0.00 C ATOM 479 CG LYS A 34 5.687 0.453 4.638 1.00 0.00 C ATOM 480 CD LYS A 34 6.618 0.161 5.802 1.00 0.00 C ATOM 481 CE LYS A 34 7.309 1.425 6.293 1.00 0.00 C ATOM 482 NZ LYS A 34 8.403 1.120 7.256 1.00 0.00 N ATOM 0 H LYS A 34 2.761 3.124 4.931 1.00 0.00 H new ATOM 0 HA LYS A 34 3.545 0.940 3.208 1.00 0.00 H new ATOM 0 HB2 LYS A 34 4.923 2.431 4.922 1.00 0.00 H new ATOM 0 HB3 LYS A 34 4.350 1.264 6.098 1.00 0.00 H new ATOM 0 HG2 LYS A 34 5.256 -0.479 4.273 1.00 0.00 H new ATOM 0 HG3 LYS A 34 6.256 0.885 3.815 1.00 0.00 H new ATOM 0 HD2 LYS A 34 6.052 -0.286 6.619 1.00 0.00 H new ATOM 0 HD3 LYS A 34 7.367 -0.569 5.496 1.00 0.00 H new ATOM 0 HE2 LYS A 34 7.716 1.971 5.442 1.00 0.00 H new ATOM 0 HE3 LYS A 34 6.577 2.077 6.769 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 8.849 2.007 7.567 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 8.011 0.622 8.080 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 9.114 0.518 6.794 1.00 0.00 H new ATOM 496 N LEU A 35 2.306 -0.995 4.106 1.00 0.00 N ATOM 497 CA LEU A 35 1.528 -2.136 4.576 1.00 0.00 C ATOM 498 C LEU A 35 2.343 -2.991 5.540 1.00 0.00 C ATOM 499 O LEU A 35 2.954 -3.984 5.142 1.00 0.00 O ATOM 500 CB LEU A 35 1.064 -2.984 3.390 1.00 0.00 C ATOM 501 CG LEU A 35 0.030 -2.339 2.467 1.00 0.00 C ATOM 502 CD1 LEU A 35 -0.256 -3.239 1.275 1.00 0.00 C ATOM 503 CD2 LEU A 35 -1.252 -2.038 3.230 1.00 0.00 C ATOM 0 H LEU A 35 2.721 -1.120 3.183 1.00 0.00 H new ATOM 0 HA LEU A 35 0.655 -1.756 5.107 1.00 0.00 H new ATOM 0 HB2 LEU A 35 1.938 -3.249 2.795 1.00 0.00 H new ATOM 0 HB3 LEU A 35 0.647 -3.914 3.775 1.00 0.00 H new ATOM 0 HG LEU A 35 0.438 -1.399 2.097 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -0.994 -2.764 0.629 1.00 0.00 H new ATOM 0 HD12 LEU A 35 0.664 -3.404 0.714 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -0.643 -4.196 1.626 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -1.977 -1.579 2.557 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -1.664 -2.965 3.629 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -1.035 -1.354 4.051 1.00 0.00 H new ATOM 515 N LEU A 36 2.347 -2.601 6.810 1.00 0.00 N ATOM 516 CA LEU A 36 3.085 -3.333 7.833 1.00 0.00 C ATOM 517 C LEU A 36 2.571 -4.764 7.956 1.00 0.00 C ATOM 518 O LEU A 36 1.409 -5.059 7.676 1.00 0.00 O ATOM 519 CB LEU A 36 2.971 -2.620 9.181 1.00 0.00 C ATOM 520 CG LEU A 36 3.490 -1.183 9.226 1.00 0.00 C ATOM 521 CD1 LEU A 36 2.973 -0.467 10.465 1.00 0.00 C ATOM 522 CD2 LEU A 36 5.011 -1.163 9.193 1.00 0.00 C ATOM 0 H LEU A 36 1.847 -1.782 7.156 1.00 0.00 H new ATOM 0 HA LEU A 36 4.133 -3.367 7.535 1.00 0.00 H new ATOM 0 HB2 LEU A 36 1.923 -2.616 9.480 1.00 0.00 H new ATOM 0 HB3 LEU A 36 3.512 -3.204 9.925 1.00 0.00 H new ATOM 0 HG LEU A 36 3.121 -0.657 8.346 1.00 0.00 H new ATOM 0 HD11 LEU A 36 3.353 0.555 10.480 1.00 0.00 H new ATOM 0 HD12 LEU A 36 1.883 -0.449 10.447 1.00 0.00 H new ATOM 0 HD13 LEU A 36 3.312 -0.993 11.357 1.00 0.00 H new ATOM 0 HD21 LEU A 36 5.362 -0.132 9.226 1.00 0.00 H new ATOM 0 HD22 LEU A 36 5.401 -1.707 10.054 1.00 0.00 H new ATOM 0 HD23 LEU A 36 5.361 -1.637 8.276 1.00 0.00 H new ATOM 534 N PRO A 37 3.455 -5.676 8.388 1.00 0.00 N ATOM 535 CA PRO A 37 3.112 -7.091 8.562 1.00 0.00 C ATOM 536 C PRO A 37 2.159 -7.317 9.730 1.00 0.00 C ATOM 537 O PRO A 37 2.568 -7.293 10.891 1.00 0.00 O ATOM 538 CB PRO A 37 4.465 -7.752 8.839 1.00 0.00 C ATOM 539 CG PRO A 37 5.308 -6.664 9.411 1.00 0.00 C ATOM 540 CD PRO A 37 4.857 -5.396 8.742 1.00 0.00 C ATOM 0 HA PRO A 37 2.595 -7.495 7.692 1.00 0.00 H new ATOM 0 HB2 PRO A 37 4.364 -8.583 9.537 1.00 0.00 H new ATOM 0 HB3 PRO A 37 4.904 -8.154 7.926 1.00 0.00 H new ATOM 0 HG2 PRO A 37 5.183 -6.601 10.492 1.00 0.00 H new ATOM 0 HG3 PRO A 37 6.365 -6.850 9.223 1.00 0.00 H new ATOM 0 HD2 PRO A 37 4.939 -4.538 9.410 1.00 0.00 H new ATOM 0 HD3 PRO A 37 5.457 -5.172 7.860 1.00 0.00 H new ATOM 548 N VAL A 38 0.887 -7.538 9.416 1.00 0.00 N ATOM 549 CA VAL A 38 -0.125 -7.771 10.440 1.00 0.00 C ATOM 550 C VAL A 38 -0.621 -9.212 10.405 1.00 0.00 C ATOM 551 O VAL A 38 -1.007 -9.721 9.353 1.00 0.00 O ATOM 552 CB VAL A 38 -1.325 -6.821 10.269 1.00 0.00 C ATOM 553 CG1 VAL A 38 -1.993 -7.043 8.921 1.00 0.00 C ATOM 554 CG2 VAL A 38 -2.320 -7.012 11.404 1.00 0.00 C ATOM 0 H VAL A 38 0.532 -7.561 8.460 1.00 0.00 H new ATOM 0 HA VAL A 38 0.348 -7.577 11.403 1.00 0.00 H new ATOM 0 HB VAL A 38 -0.962 -5.794 10.303 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -2.839 -6.363 8.818 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -1.275 -6.853 8.123 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -2.345 -8.073 8.854 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -3.162 -6.333 11.268 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -2.680 -8.041 11.403 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -1.832 -6.799 12.355 1.00 0.00 H new ATOM 564 N ALA A 39 -0.608 -9.865 11.562 1.00 0.00 N ATOM 565 CA ALA A 39 -1.060 -11.247 11.665 1.00 0.00 C ATOM 566 C ALA A 39 -2.429 -11.427 11.018 1.00 0.00 C ATOM 567 O ALA A 39 -2.637 -12.346 10.225 1.00 0.00 O ATOM 568 CB ALA A 39 -1.101 -11.682 13.122 1.00 0.00 C ATOM 0 H ALA A 39 -0.289 -9.459 12.442 1.00 0.00 H new ATOM 0 HA ALA A 39 -0.349 -11.876 11.130 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -1.440 -12.716 13.184 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -0.104 -11.601 13.554 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -1.789 -11.041 13.674 1.00 0.00 H new ATOM 574 N THR A 40 -3.361 -10.543 11.361 1.00 0.00 N ATOM 575 CA THR A 40 -4.711 -10.605 10.815 1.00 0.00 C ATOM 576 C THR A 40 -5.406 -9.252 10.911 1.00 0.00 C ATOM 577 O THR A 40 -5.152 -8.476 11.834 1.00 0.00 O ATOM 578 CB THR A 40 -5.564 -11.661 11.544 1.00 0.00 C ATOM 579 OG1 THR A 40 -6.821 -11.821 10.878 1.00 0.00 O ATOM 580 CG2 THR A 40 -5.799 -11.260 12.993 1.00 0.00 C ATOM 0 H THR A 40 -3.205 -9.776 12.015 1.00 0.00 H new ATOM 0 HA THR A 40 -4.615 -10.887 9.766 1.00 0.00 H new ATOM 0 HB THR A 40 -5.023 -12.607 11.528 1.00 0.00 H new ATOM 0 HG1 THR A 40 -7.356 -12.495 11.347 1.00 0.00 H new ATOM 0 HG21 THR A 40 -6.403 -12.020 13.488 1.00 0.00 H new ATOM 0 HG22 THR A 40 -4.841 -11.168 13.505 1.00 0.00 H new ATOM 0 HG23 THR A 40 -6.321 -10.304 13.026 1.00 0.00 H new ATOM 588 N LEU A 41 -6.285 -8.974 9.955 1.00 0.00 N ATOM 589 CA LEU A 41 -7.018 -7.713 9.932 1.00 0.00 C ATOM 590 C LEU A 41 -8.508 -7.954 9.711 1.00 0.00 C ATOM 591 O LEU A 41 -8.938 -9.087 9.497 1.00 0.00 O ATOM 592 CB LEU A 41 -6.469 -6.801 8.834 1.00 0.00 C ATOM 593 CG LEU A 41 -5.317 -5.881 9.240 1.00 0.00 C ATOM 594 CD1 LEU A 41 -4.587 -5.365 8.009 1.00 0.00 C ATOM 595 CD2 LEU A 41 -5.830 -4.723 10.083 1.00 0.00 C ATOM 0 H LEU A 41 -6.508 -9.605 9.185 1.00 0.00 H new ATOM 0 HA LEU A 41 -6.886 -7.227 10.899 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -6.135 -7.425 8.005 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -7.286 -6.184 8.460 1.00 0.00 H new ATOM 0 HG LEU A 41 -4.612 -6.456 9.841 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -3.771 -4.712 8.317 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -4.185 -6.207 7.445 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -5.281 -4.806 7.382 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -4.996 -4.079 10.363 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -6.556 -4.148 9.508 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -6.306 -5.111 10.983 1.00 0.00 H new ATOM 607 N GLU A 42 -9.290 -6.880 9.764 1.00 0.00 N ATOM 608 CA GLU A 42 -10.732 -6.976 9.568 1.00 0.00 C ATOM 609 C GLU A 42 -11.096 -6.773 8.100 1.00 0.00 C ATOM 610 O GLU A 42 -10.353 -6.167 7.327 1.00 0.00 O ATOM 611 CB GLU A 42 -11.456 -5.940 10.431 1.00 0.00 C ATOM 612 CG GLU A 42 -11.794 -6.441 11.825 1.00 0.00 C ATOM 613 CD GLU A 42 -10.584 -6.490 12.737 1.00 0.00 C ATOM 614 OE1 GLU A 42 -9.663 -5.669 12.547 1.00 0.00 O ATOM 615 OE2 GLU A 42 -10.558 -7.351 13.642 1.00 0.00 O ATOM 0 H GLU A 42 -8.950 -5.935 9.941 1.00 0.00 H new ATOM 0 HA GLU A 42 -11.048 -7.975 9.869 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -10.833 -5.050 10.515 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -12.376 -5.639 9.929 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -12.551 -5.793 12.266 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -12.230 -7.437 11.753 1.00 0.00 H new ATOM 622 N PRO A 43 -12.267 -7.294 7.704 1.00 0.00 N ATOM 623 CA PRO A 43 -12.757 -7.184 6.327 1.00 0.00 C ATOM 624 C PRO A 43 -13.157 -5.757 5.966 1.00 0.00 C ATOM 625 O PRO A 43 -14.302 -5.354 6.166 1.00 0.00 O ATOM 626 CB PRO A 43 -13.981 -8.103 6.311 1.00 0.00 C ATOM 627 CG PRO A 43 -14.443 -8.142 7.727 1.00 0.00 C ATOM 628 CD PRO A 43 -13.203 -8.029 8.571 1.00 0.00 C ATOM 0 HA PRO A 43 -11.993 -7.457 5.600 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -14.758 -7.716 5.651 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -13.724 -9.099 5.951 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -15.132 -7.324 7.935 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -14.976 -9.069 7.938 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -13.396 -7.492 9.500 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -12.812 -9.009 8.845 1.00 0.00 H new ATOM 636 N GLY A 44 -12.206 -4.997 5.432 1.00 0.00 N ATOM 637 CA GLY A 44 -12.479 -3.624 5.052 1.00 0.00 C ATOM 638 C GLY A 44 -11.512 -2.643 5.685 1.00 0.00 C ATOM 639 O GLY A 44 -11.323 -1.536 5.182 1.00 0.00 O ATOM 0 H GLY A 44 -11.251 -5.308 5.256 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -12.425 -3.533 3.967 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -13.497 -3.365 5.344 1.00 0.00 H new ATOM 643 N TRP A 45 -10.901 -3.049 6.792 1.00 0.00 N ATOM 644 CA TRP A 45 -9.949 -2.197 7.496 1.00 0.00 C ATOM 645 C TRP A 45 -8.516 -2.551 7.115 1.00 0.00 C ATOM 646 O TRP A 45 -8.219 -3.697 6.780 1.00 0.00 O ATOM 647 CB TRP A 45 -10.136 -2.330 9.008 1.00 0.00 C ATOM 648 CG TRP A 45 -11.384 -1.672 9.513 1.00 0.00 C ATOM 649 CD1 TRP A 45 -12.554 -2.287 9.854 1.00 0.00 C ATOM 650 CD2 TRP A 45 -11.587 -0.271 9.730 1.00 0.00 C ATOM 651 NE1 TRP A 45 -13.472 -1.353 10.271 1.00 0.00 N ATOM 652 CE2 TRP A 45 -12.903 -0.109 10.205 1.00 0.00 C ATOM 653 CE3 TRP A 45 -10.784 0.862 9.571 1.00 0.00 C ATOM 654 CZ2 TRP A 45 -13.432 1.139 10.521 1.00 0.00 C ATOM 655 CZ3 TRP A 45 -11.310 2.100 9.885 1.00 0.00 C ATOM 656 CH2 TRP A 45 -12.624 2.231 10.356 1.00 0.00 C ATOM 0 H TRP A 45 -11.048 -3.962 7.222 1.00 0.00 H new ATOM 0 HA TRP A 45 -10.138 -1.164 7.203 1.00 0.00 H new ATOM 0 HB2 TRP A 45 -10.159 -3.387 9.272 1.00 0.00 H new ATOM 0 HB3 TRP A 45 -9.274 -1.894 9.513 1.00 0.00 H new ATOM 0 HD1 TRP A 45 -12.732 -3.351 9.804 1.00 0.00 H new ATOM 0 HE1 TRP A 45 -14.423 -1.554 10.580 1.00 0.00 H new ATOM 0 HE3 TRP A 45 -9.770 0.771 9.209 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 -14.444 1.242 10.884 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 -10.699 2.982 9.766 1.00 0.00 H new ATOM 0 HH2 TRP A 45 -13.006 3.213 10.593 1.00 0.00 H new ATOM 667 N GLN A 46 -7.632 -1.560 7.169 1.00 0.00 N ATOM 668 CA GLN A 46 -6.229 -1.769 6.828 1.00 0.00 C ATOM 669 C GLN A 46 -5.319 -1.289 7.954 1.00 0.00 C ATOM 670 O GLN A 46 -5.607 -0.293 8.617 1.00 0.00 O ATOM 671 CB GLN A 46 -5.884 -1.038 5.530 1.00 0.00 C ATOM 672 CG GLN A 46 -6.367 -1.757 4.280 1.00 0.00 C ATOM 673 CD GLN A 46 -5.407 -2.836 3.819 1.00 0.00 C ATOM 674 OE1 GLN A 46 -5.450 -3.968 4.301 1.00 0.00 O ATOM 675 NE2 GLN A 46 -4.532 -2.489 2.882 1.00 0.00 N ATOM 0 H GLN A 46 -7.862 -0.605 7.445 1.00 0.00 H new ATOM 0 HA GLN A 46 -6.070 -2.838 6.687 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -6.322 -0.040 5.557 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -4.803 -0.910 5.471 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -7.342 -2.203 4.476 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -6.504 -1.031 3.478 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -4.532 -1.539 2.511 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -3.860 -3.173 2.534 1.00 0.00 H new ATOM 684 N PHE A 47 -4.219 -2.004 8.164 1.00 0.00 N ATOM 685 CA PHE A 47 -3.266 -1.652 9.210 1.00 0.00 C ATOM 686 C PHE A 47 -1.942 -1.192 8.608 1.00 0.00 C ATOM 687 O PHE A 47 -1.371 -1.865 7.750 1.00 0.00 O ATOM 688 CB PHE A 47 -3.031 -2.845 10.138 1.00 0.00 C ATOM 689 CG PHE A 47 -2.110 -2.541 11.285 1.00 0.00 C ATOM 690 CD1 PHE A 47 -2.493 -1.657 12.281 1.00 0.00 C ATOM 691 CD2 PHE A 47 -0.863 -3.139 11.368 1.00 0.00 C ATOM 692 CE1 PHE A 47 -1.648 -1.374 13.337 1.00 0.00 C ATOM 693 CE2 PHE A 47 -0.014 -2.860 12.423 1.00 0.00 C ATOM 694 CZ PHE A 47 -0.408 -1.977 13.409 1.00 0.00 C ATOM 0 H PHE A 47 -3.965 -2.831 7.624 1.00 0.00 H new ATOM 0 HA PHE A 47 -3.687 -0.829 9.788 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -3.990 -3.183 10.532 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -2.616 -3.670 9.558 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -3.463 -1.184 12.231 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -0.551 -3.831 10.600 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -1.957 -0.681 14.106 1.00 0.00 H new ATOM 0 HE2 PHE A 47 0.956 -3.332 12.476 1.00 0.00 H new ATOM 0 HZ PHE A 47 0.253 -1.759 14.235 1.00 0.00 H new ATOM 704 N GLY A 48 -1.459 -0.040 9.064 1.00 0.00 N ATOM 705 CA GLY A 48 -0.206 0.491 8.559 1.00 0.00 C ATOM 706 C GLY A 48 0.228 1.746 9.289 1.00 0.00 C ATOM 707 O GLY A 48 -0.348 2.105 10.316 1.00 0.00 O ATOM 0 H GLY A 48 -1.913 0.535 9.774 1.00 0.00 H new ATOM 0 HA2 GLY A 48 0.571 -0.268 8.654 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -0.310 0.710 7.496 1.00 0.00 H new ATOM 711 N SER A 49 1.249 2.414 8.760 1.00 0.00 N ATOM 712 CA SER A 49 1.763 3.633 9.372 1.00 0.00 C ATOM 713 C SER A 49 1.707 4.799 8.390 1.00 0.00 C ATOM 714 O SER A 49 1.767 4.606 7.176 1.00 0.00 O ATOM 715 CB SER A 49 3.202 3.422 9.848 1.00 0.00 C ATOM 716 OG SER A 49 3.661 4.536 10.595 1.00 0.00 O ATOM 0 H SER A 49 1.736 2.131 7.909 1.00 0.00 H new ATOM 0 HA SER A 49 1.135 3.872 10.230 1.00 0.00 H new ATOM 0 HB2 SER A 49 3.257 2.522 10.460 1.00 0.00 H new ATOM 0 HB3 SER A 49 3.853 3.263 8.988 1.00 0.00 H new ATOM 0 HG SER A 49 2.996 4.769 11.276 1.00 0.00 H new ATOM 722 N ALA A 50 1.590 6.010 8.925 1.00 0.00 N ATOM 723 CA ALA A 50 1.527 7.208 8.098 1.00 0.00 C ATOM 724 C ALA A 50 1.610 8.470 8.951 1.00 0.00 C ATOM 725 O ALA A 50 0.829 8.652 9.884 1.00 0.00 O ATOM 726 CB ALA A 50 0.251 7.211 7.270 1.00 0.00 C ATOM 0 H ALA A 50 1.537 6.187 9.928 1.00 0.00 H new ATOM 0 HA ALA A 50 2.384 7.200 7.425 1.00 0.00 H new ATOM 0 HB1 ALA A 50 0.217 8.112 6.657 1.00 0.00 H new ATOM 0 HB2 ALA A 50 0.234 6.332 6.625 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -0.613 7.191 7.934 1.00 0.00 H new ATOM 732 N GLY A 51 2.562 9.339 8.624 1.00 0.00 N ATOM 733 CA GLY A 51 2.728 10.572 9.371 1.00 0.00 C ATOM 734 C GLY A 51 3.258 10.334 10.771 1.00 0.00 C ATOM 735 O GLY A 51 2.729 10.873 11.743 1.00 0.00 O ATOM 0 H GLY A 51 3.221 9.211 7.856 1.00 0.00 H new ATOM 0 HA2 GLY A 51 3.412 11.230 8.834 1.00 0.00 H new ATOM 0 HA3 GLY A 51 1.770 11.089 9.431 1.00 0.00 H new ATOM 739 N GLY A 52 4.307 9.523 10.876 1.00 0.00 N ATOM 740 CA GLY A 52 4.890 9.228 12.172 1.00 0.00 C ATOM 741 C GLY A 52 3.863 8.729 13.169 1.00 0.00 C ATOM 742 O GLY A 52 3.914 9.076 14.349 1.00 0.00 O ATOM 0 H GLY A 52 4.763 9.065 10.087 1.00 0.00 H new ATOM 0 HA2 GLY A 52 5.671 8.477 12.053 1.00 0.00 H new ATOM 0 HA3 GLY A 52 5.367 10.126 12.565 1.00 0.00 H new ATOM 746 N ARG A 53 2.927 7.913 12.695 1.00 0.00 N ATOM 747 CA ARG A 53 1.883 7.368 13.553 1.00 0.00 C ATOM 748 C ARG A 53 1.388 6.025 13.022 1.00 0.00 C ATOM 749 O ARG A 53 1.711 5.633 11.901 1.00 0.00 O ATOM 750 CB ARG A 53 0.714 8.349 13.656 1.00 0.00 C ATOM 751 CG ARG A 53 1.070 9.649 14.359 1.00 0.00 C ATOM 752 CD ARG A 53 -0.067 10.656 14.277 1.00 0.00 C ATOM 753 NE ARG A 53 0.418 12.033 14.312 1.00 0.00 N ATOM 754 CZ ARG A 53 -0.288 13.072 13.880 1.00 0.00 C ATOM 755 NH1 ARG A 53 -1.504 12.891 13.384 1.00 0.00 N ATOM 756 NH2 ARG A 53 0.222 14.295 13.945 1.00 0.00 N ATOM 0 H ARG A 53 2.871 7.615 11.721 1.00 0.00 H new ATOM 0 HA ARG A 53 2.307 7.213 14.545 1.00 0.00 H new ATOM 0 HB2 ARG A 53 0.351 8.575 12.653 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -0.106 7.869 14.191 1.00 0.00 H new ATOM 0 HG2 ARG A 53 1.304 9.447 15.404 1.00 0.00 H new ATOM 0 HG3 ARG A 53 1.967 10.074 13.908 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -0.630 10.493 13.358 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -0.756 10.493 15.106 1.00 0.00 H new ATOM 0 HE ARG A 53 1.350 12.206 14.689 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -1.900 11.952 13.333 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -2.044 13.691 13.053 1.00 0.00 H new ATOM 0 HH21 ARG A 53 1.157 14.438 14.327 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -0.321 15.092 13.613 1.00 0.00 H new ATOM 770 N SER A 54 0.604 5.325 13.835 1.00 0.00 N ATOM 771 CA SER A 54 0.069 4.025 13.449 1.00 0.00 C ATOM 772 C SER A 54 -1.415 3.925 13.792 1.00 0.00 C ATOM 773 O SER A 54 -1.906 4.616 14.683 1.00 0.00 O ATOM 774 CB SER A 54 0.842 2.904 14.147 1.00 0.00 C ATOM 775 OG SER A 54 0.801 3.056 15.555 1.00 0.00 O ATOM 0 H SER A 54 0.325 5.636 14.765 1.00 0.00 H new ATOM 0 HA SER A 54 0.183 3.918 12.370 1.00 0.00 H new ATOM 0 HB2 SER A 54 0.418 1.939 13.870 1.00 0.00 H new ATOM 0 HB3 SER A 54 1.878 2.907 13.808 1.00 0.00 H new ATOM 0 HG SER A 54 1.301 2.326 15.977 1.00 0.00 H new ATOM 781 N GLY A 55 -2.124 3.057 13.076 1.00 0.00 N ATOM 782 CA GLY A 55 -3.544 2.881 13.318 1.00 0.00 C ATOM 783 C GLY A 55 -4.238 2.147 12.188 1.00 0.00 C ATOM 784 O GLY A 55 -3.584 1.600 11.299 1.00 0.00 O ATOM 0 H GLY A 55 -1.740 2.473 12.333 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -3.685 2.329 14.247 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -4.010 3.857 13.454 1.00 0.00 H new ATOM 788 N LEU A 56 -5.566 2.133 12.222 1.00 0.00 N ATOM 789 CA LEU A 56 -6.350 1.458 11.193 1.00 0.00 C ATOM 790 C LEU A 56 -7.039 2.470 10.283 1.00 0.00 C ATOM 791 O LEU A 56 -7.629 3.443 10.752 1.00 0.00 O ATOM 792 CB LEU A 56 -7.392 0.542 11.837 1.00 0.00 C ATOM 793 CG LEU A 56 -6.855 -0.734 12.485 1.00 0.00 C ATOM 794 CD1 LEU A 56 -7.924 -1.385 13.349 1.00 0.00 C ATOM 795 CD2 LEU A 56 -6.362 -1.705 11.422 1.00 0.00 C ATOM 0 H LEU A 56 -6.122 2.581 12.950 1.00 0.00 H new ATOM 0 HA LEU A 56 -5.671 0.857 10.589 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -7.929 1.112 12.595 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -8.119 0.261 11.075 1.00 0.00 H new ATOM 0 HG LEU A 56 -6.013 -0.467 13.124 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -7.523 -2.292 13.802 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -8.230 -0.692 14.133 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -8.786 -1.638 12.732 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -5.983 -2.608 11.901 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -7.186 -1.965 10.757 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -5.564 -1.238 10.845 1.00 0.00 H new ATOM 807 N PHE A 57 -6.962 2.232 8.977 1.00 0.00 N ATOM 808 CA PHE A 57 -7.578 3.122 8.000 1.00 0.00 C ATOM 809 C PHE A 57 -8.401 2.331 6.988 1.00 0.00 C ATOM 810 O PHE A 57 -8.131 1.163 6.707 1.00 0.00 O ATOM 811 CB PHE A 57 -6.507 3.940 7.276 1.00 0.00 C ATOM 812 CG PHE A 57 -5.579 3.106 6.440 1.00 0.00 C ATOM 813 CD1 PHE A 57 -4.465 2.508 7.006 1.00 0.00 C ATOM 814 CD2 PHE A 57 -5.822 2.920 5.089 1.00 0.00 C ATOM 815 CE1 PHE A 57 -3.609 1.741 6.238 1.00 0.00 C ATOM 816 CE2 PHE A 57 -4.970 2.153 4.316 1.00 0.00 C ATOM 817 CZ PHE A 57 -3.862 1.563 4.892 1.00 0.00 C ATOM 0 H PHE A 57 -6.479 1.430 8.571 1.00 0.00 H new ATOM 0 HA PHE A 57 -8.244 3.801 8.533 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -6.994 4.678 6.638 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -5.923 4.492 8.013 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -4.263 2.642 8.058 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -6.687 3.379 4.634 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -2.743 1.281 6.690 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -5.171 2.016 3.264 1.00 0.00 H new ATOM 0 HZ PHE A 57 -3.195 0.963 4.291 1.00 0.00 H new ATOM 827 N PRO A 58 -9.431 2.981 6.425 1.00 0.00 N ATOM 828 CA PRO A 58 -10.314 2.359 5.435 1.00 0.00 C ATOM 829 C PRO A 58 -9.613 2.116 4.103 1.00 0.00 C ATOM 830 O PRO A 58 -8.977 3.014 3.553 1.00 0.00 O ATOM 831 CB PRO A 58 -11.438 3.384 5.268 1.00 0.00 C ATOM 832 CG PRO A 58 -10.821 4.687 5.643 1.00 0.00 C ATOM 833 CD PRO A 58 -9.811 4.375 6.712 1.00 0.00 C ATOM 0 HA PRO A 58 -10.659 1.377 5.758 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -11.808 3.402 4.243 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -12.287 3.149 5.910 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -10.345 5.156 4.782 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -11.574 5.384 6.010 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -8.952 5.044 6.661 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -10.237 4.478 7.710 1.00 0.00 H new ATOM 841 N ALA A 59 -9.733 0.896 3.590 1.00 0.00 N ATOM 842 CA ALA A 59 -9.112 0.536 2.321 1.00 0.00 C ATOM 843 C ALA A 59 -10.022 0.881 1.147 1.00 0.00 C ATOM 844 O ALA A 59 -9.898 0.308 0.064 1.00 0.00 O ATOM 845 CB ALA A 59 -8.764 -0.945 2.305 1.00 0.00 C ATOM 0 H ALA A 59 -10.255 0.140 4.034 1.00 0.00 H new ATOM 0 HA ALA A 59 -8.194 1.114 2.217 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -8.301 -1.200 1.352 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -8.069 -1.164 3.116 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -9.672 -1.534 2.436 1.00 0.00 H new ATOM 851 N ASP A 60 -10.937 1.818 1.369 1.00 0.00 N ATOM 852 CA ASP A 60 -11.869 2.239 0.330 1.00 0.00 C ATOM 853 C ASP A 60 -11.540 3.647 -0.157 1.00 0.00 C ATOM 854 O ASP A 60 -12.300 4.244 -0.920 1.00 0.00 O ATOM 855 CB ASP A 60 -13.305 2.188 0.851 1.00 0.00 C ATOM 856 CG ASP A 60 -13.702 3.457 1.579 1.00 0.00 C ATOM 857 OD1 ASP A 60 -13.480 3.531 2.806 1.00 0.00 O ATOM 858 OD2 ASP A 60 -14.236 4.376 0.923 1.00 0.00 O ATOM 0 H ASP A 60 -11.053 2.301 2.260 1.00 0.00 H new ATOM 0 HA ASP A 60 -11.772 1.552 -0.510 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -13.986 2.024 0.016 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -13.414 1.337 1.524 1.00 0.00 H new ATOM 863 N ILE A 61 -10.405 4.173 0.292 1.00 0.00 N ATOM 864 CA ILE A 61 -9.977 5.511 -0.098 1.00 0.00 C ATOM 865 C ILE A 61 -8.538 5.502 -0.602 1.00 0.00 C ATOM 866 O ILE A 61 -8.021 6.524 -1.054 1.00 0.00 O ATOM 867 CB ILE A 61 -10.093 6.502 1.075 1.00 0.00 C ATOM 868 CG1 ILE A 61 -8.893 6.359 2.013 1.00 0.00 C ATOM 869 CG2 ILE A 61 -11.393 6.278 1.832 1.00 0.00 C ATOM 870 CD1 ILE A 61 -8.936 7.299 3.198 1.00 0.00 C ATOM 0 H ILE A 61 -9.766 3.693 0.926 1.00 0.00 H new ATOM 0 HA ILE A 61 -10.639 5.833 -0.902 1.00 0.00 H new ATOM 0 HB ILE A 61 -10.099 7.516 0.675 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -8.846 5.332 2.376 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -7.978 6.540 1.449 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -11.460 6.986 2.658 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -12.237 6.426 1.158 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -11.415 5.261 2.223 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -8.054 7.142 3.819 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -8.952 8.330 2.844 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -9.833 7.103 3.785 1.00 0.00 H new ATOM 882 N VAL A 62 -7.896 4.341 -0.523 1.00 0.00 N ATOM 883 CA VAL A 62 -6.517 4.198 -0.974 1.00 0.00 C ATOM 884 C VAL A 62 -6.430 3.295 -2.199 1.00 0.00 C ATOM 885 O VAL A 62 -7.234 2.379 -2.364 1.00 0.00 O ATOM 886 CB VAL A 62 -5.619 3.624 0.139 1.00 0.00 C ATOM 887 CG1 VAL A 62 -5.616 4.543 1.351 1.00 0.00 C ATOM 888 CG2 VAL A 62 -6.076 2.224 0.522 1.00 0.00 C ATOM 0 H VAL A 62 -8.309 3.486 -0.151 1.00 0.00 H new ATOM 0 HA VAL A 62 -6.165 5.196 -1.236 1.00 0.00 H new ATOM 0 HB VAL A 62 -4.599 3.558 -0.239 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -4.976 4.121 2.126 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -5.238 5.524 1.063 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -6.632 4.644 1.734 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -5.431 1.833 1.309 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -7.104 2.262 0.881 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -6.020 1.572 -0.350 1.00 0.00 H new ATOM 898 N GLN A 63 -5.448 3.561 -3.054 1.00 0.00 N ATOM 899 CA GLN A 63 -5.256 2.771 -4.265 1.00 0.00 C ATOM 900 C GLN A 63 -3.851 2.181 -4.314 1.00 0.00 C ATOM 901 O GLN A 63 -2.905 2.720 -3.739 1.00 0.00 O ATOM 902 CB GLN A 63 -5.504 3.632 -5.505 1.00 0.00 C ATOM 903 CG GLN A 63 -4.303 4.470 -5.914 1.00 0.00 C ATOM 904 CD GLN A 63 -4.545 5.255 -7.188 1.00 0.00 C ATOM 905 OE1 GLN A 63 -5.251 4.798 -8.088 1.00 0.00 O ATOM 906 NE2 GLN A 63 -3.960 6.444 -7.271 1.00 0.00 N ATOM 0 H GLN A 63 -4.774 4.316 -2.931 1.00 0.00 H new ATOM 0 HA GLN A 63 -5.974 1.951 -4.251 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -5.785 2.985 -6.336 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -6.350 4.293 -5.315 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -4.055 5.161 -5.108 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -3.440 3.818 -6.052 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -3.383 6.783 -6.501 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -4.087 7.018 -8.105 1.00 0.00 H new ATOM 915 N PRO A 64 -3.708 1.047 -5.016 1.00 0.00 N ATOM 916 CA PRO A 64 -2.422 0.359 -5.156 1.00 0.00 C ATOM 917 C PRO A 64 -1.441 1.137 -6.027 1.00 0.00 C ATOM 918 O PRO A 64 -1.842 1.850 -6.946 1.00 0.00 O ATOM 919 CB PRO A 64 -2.798 -0.964 -5.826 1.00 0.00 C ATOM 920 CG PRO A 64 -4.065 -0.673 -6.555 1.00 0.00 C ATOM 921 CD PRO A 64 -4.793 0.350 -5.727 1.00 0.00 C ATOM 0 HA PRO A 64 -1.918 0.238 -4.197 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -2.017 -1.298 -6.508 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -2.938 -1.755 -5.089 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -3.861 -0.292 -7.556 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -4.663 -1.576 -6.674 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -5.370 1.034 -6.349 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -5.492 -0.118 -5.034 1.00 0.00 H new ATOM 929 N ALA A 65 -0.153 0.994 -5.731 1.00 0.00 N ATOM 930 CA ALA A 65 0.886 1.682 -6.489 1.00 0.00 C ATOM 931 C ALA A 65 2.126 0.808 -6.637 1.00 0.00 C ATOM 932 O ALA A 65 2.566 0.170 -5.681 1.00 0.00 O ATOM 933 CB ALA A 65 1.243 3.000 -5.819 1.00 0.00 C ATOM 0 H ALA A 65 0.196 0.408 -4.972 1.00 0.00 H new ATOM 0 HA ALA A 65 0.498 1.888 -7.486 1.00 0.00 H new ATOM 0 HB1 ALA A 65 2.020 3.503 -6.396 1.00 0.00 H new ATOM 0 HB2 ALA A 65 0.358 3.635 -5.771 1.00 0.00 H new ATOM 0 HB3 ALA A 65 1.607 2.808 -4.810 1.00 0.00 H new ATOM 939 N ALA A 66 2.686 0.783 -7.842 1.00 0.00 N ATOM 940 CA ALA A 66 3.878 -0.012 -8.115 1.00 0.00 C ATOM 941 C ALA A 66 4.847 0.031 -6.938 1.00 0.00 C ATOM 942 O ALA A 66 5.400 1.081 -6.615 1.00 0.00 O ATOM 943 CB ALA A 66 4.561 0.479 -9.382 1.00 0.00 C ATOM 0 H ALA A 66 2.334 1.304 -8.645 1.00 0.00 H new ATOM 0 HA ALA A 66 3.569 -1.047 -8.260 1.00 0.00 H new ATOM 0 HB1 ALA A 66 5.449 -0.123 -9.573 1.00 0.00 H new ATOM 0 HB2 ALA A 66 3.874 0.390 -10.224 1.00 0.00 H new ATOM 0 HB3 ALA A 66 4.850 1.523 -9.258 1.00 0.00 H new ATOM 949 N ALA A 67 5.047 -1.118 -6.301 1.00 0.00 N ATOM 950 CA ALA A 67 5.951 -1.212 -5.161 1.00 0.00 C ATOM 951 C ALA A 67 7.357 -0.759 -5.537 1.00 0.00 C ATOM 952 O ALA A 67 7.822 -0.962 -6.659 1.00 0.00 O ATOM 953 CB ALA A 67 5.979 -2.636 -4.625 1.00 0.00 C ATOM 0 H ALA A 67 4.595 -1.997 -6.555 1.00 0.00 H new ATOM 0 HA ALA A 67 5.580 -0.549 -4.379 1.00 0.00 H new ATOM 0 HB1 ALA A 67 6.658 -2.691 -3.774 1.00 0.00 H new ATOM 0 HB2 ALA A 67 4.977 -2.926 -4.309 1.00 0.00 H new ATOM 0 HB3 ALA A 67 6.322 -3.313 -5.408 1.00 0.00 H new