USER MOD reduce.3.24.130724 H: found=0, std=0, add=475, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 477 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: C 16 TYR OH : rot 102:sc= 0.768 USER MOD Set 1.2: C 18 SER OG : rot 47:sc= -1.85! USER MOD Single : C 9 THR OG1 : rot 35:sc= 0.296 USER MOD Single : C 14 TYR OH : rot 180:sc= 0 USER MOD Single : C 20 THR OG1 : rot 180:sc= 0 USER MOD Single : C 22 THR OG1 : rot 180:sc= -0.0185 USER MOD Single : C 25 SER OG : rot 180:sc= 0.045 USER MOD Single : C 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 33 GLN : amide:sc= -0.229 X(o=-0.23,f=-0.06) USER MOD Single : C 36 ASN : amide:sc= -0.824 K(o=-0.82,f=-2.8!) USER MOD Single : C 37 ASN : amide:sc=-0.00567 X(o=-0.0057,f=-0.0057) USER MOD Single : C 38 THR OG1 : rot 180:sc= 0 USER MOD Single : C 46 HIS : no HE2:sc= -4.96 X(o=-5,f=-5.4!) USER MOD Single : C 47 SER OG : rot 180:sc= 0 USER MOD Single : C 49 THR OG1 : rot 65:sc= 0.262 USER MOD Single : C 50 THR OG1 : rot 180:sc= 0.00756 USER MOD Single : C 52 GLN : amide:sc= -0.116 X(o=-0.12,f=-0.0021) USER MOD Single : C 53 THR OG1 : rot 180:sc= 0 USER MOD Single : C 55 TYR OH : rot 180:sc= 0 USER MOD Single : C 58 SER OG : rot 171:sc= -1.31! USER MOD Single : C 59 ASN : amide:sc= -1.83 X(o=-1.8,f=-2.3!) USER MOD Single : C 60 TYR OH : rot -78:sc= -0.301 USER MOD Single : C 64 SER OG : rot -56:sc= 1.15 USER MOD ----------------------------------------------------------------- ATOM 1 N THR C 9 5.799 3.532 -24.963 1.00 0.00 N ATOM 2 CA THR C 9 4.394 3.077 -25.159 1.00 0.00 C ATOM 3 C THR C 9 3.927 2.314 -23.917 1.00 0.00 C ATOM 4 O THR C 9 3.468 1.192 -24.002 1.00 0.00 O ATOM 5 CB THR C 9 4.322 2.157 -26.379 1.00 0.00 C ATOM 6 OG1 THR C 9 5.015 2.759 -27.465 1.00 0.00 O ATOM 7 CG2 THR C 9 2.860 1.933 -26.765 1.00 0.00 C ATOM 0 HA THR C 9 3.750 3.942 -25.317 1.00 0.00 H new ATOM 0 HB THR C 9 4.783 1.198 -26.140 1.00 0.00 H new ATOM 0 HG1 THR C 9 5.789 3.255 -27.125 1.00 0.00 H new ATOM 0 HG21 THR C 9 2.810 1.277 -27.634 1.00 0.00 H new ATOM 0 HG22 THR C 9 2.330 1.472 -25.932 1.00 0.00 H new ATOM 0 HG23 THR C 9 2.396 2.890 -27.005 1.00 0.00 H new ATOM 14 N PHE C 10 4.039 2.913 -22.763 1.00 0.00 N ATOM 15 CA PHE C 10 3.601 2.221 -21.518 1.00 0.00 C ATOM 16 C PHE C 10 2.330 2.885 -20.984 1.00 0.00 C ATOM 17 O PHE C 10 2.036 4.023 -21.292 1.00 0.00 O ATOM 18 CB PHE C 10 4.707 2.315 -20.465 1.00 0.00 C ATOM 19 CG PHE C 10 5.655 1.124 -20.614 1.00 0.00 C ATOM 20 CD1 PHE C 10 6.122 0.753 -21.862 1.00 0.00 C ATOM 21 CD2 PHE C 10 6.057 0.402 -19.504 1.00 0.00 C ATOM 22 CE1 PHE C 10 6.976 -0.323 -21.998 1.00 0.00 C ATOM 23 CE2 PHE C 10 6.912 -0.672 -19.641 1.00 0.00 C ATOM 24 CZ PHE C 10 7.371 -1.035 -20.888 1.00 0.00 C ATOM 0 H PHE C 10 4.415 3.852 -22.629 1.00 0.00 H new ATOM 0 HA PHE C 10 3.398 1.173 -21.738 1.00 0.00 H new ATOM 0 HB2 PHE C 10 5.257 3.248 -20.582 1.00 0.00 H new ATOM 0 HB3 PHE C 10 4.272 2.325 -19.465 1.00 0.00 H new ATOM 0 HD1 PHE C 10 5.816 1.309 -22.736 1.00 0.00 H new ATOM 0 HD2 PHE C 10 5.699 0.681 -18.524 1.00 0.00 H new ATOM 0 HE1 PHE C 10 7.335 -0.607 -22.976 1.00 0.00 H new ATOM 0 HE2 PHE C 10 7.222 -1.229 -18.769 1.00 0.00 H new ATOM 0 HZ PHE C 10 8.039 -1.877 -20.995 1.00 0.00 H new ATOM 34 N VAL C 11 1.573 2.183 -20.186 1.00 0.00 N ATOM 35 CA VAL C 11 0.321 2.773 -19.634 1.00 0.00 C ATOM 36 C VAL C 11 0.246 2.496 -18.131 1.00 0.00 C ATOM 37 O VAL C 11 0.579 1.422 -17.670 1.00 0.00 O ATOM 38 CB VAL C 11 -0.888 2.143 -20.327 1.00 0.00 C ATOM 39 CG1 VAL C 11 -2.131 2.992 -20.054 1.00 0.00 C ATOM 40 CG2 VAL C 11 -0.635 2.079 -21.834 1.00 0.00 C ATOM 0 H VAL C 11 1.768 1.226 -19.892 1.00 0.00 H new ATOM 0 HA VAL C 11 0.320 3.849 -19.807 1.00 0.00 H new ATOM 0 HB VAL C 11 -1.044 1.135 -19.942 1.00 0.00 H new ATOM 0 HG11 VAL C 11 -2.993 2.544 -20.548 1.00 0.00 H new ATOM 0 HG12 VAL C 11 -2.311 3.038 -18.980 1.00 0.00 H new ATOM 0 HG13 VAL C 11 -1.975 4.000 -20.440 1.00 0.00 H new ATOM 0 HG21 VAL C 11 -1.496 1.630 -22.329 1.00 0.00 H new ATOM 0 HG22 VAL C 11 -0.479 3.086 -22.220 1.00 0.00 H new ATOM 0 HG23 VAL C 11 0.251 1.475 -22.029 1.00 0.00 H new ATOM 50 N ALA C 12 -0.190 3.456 -17.361 1.00 0.00 N ATOM 51 CA ALA C 12 -0.286 3.244 -15.890 1.00 0.00 C ATOM 52 C ALA C 12 -1.465 2.320 -15.582 1.00 0.00 C ATOM 53 O ALA C 12 -2.608 2.649 -15.831 1.00 0.00 O ATOM 54 CB ALA C 12 -0.499 4.590 -15.194 1.00 0.00 C ATOM 0 H ALA C 12 -0.483 4.377 -17.687 1.00 0.00 H new ATOM 0 HA ALA C 12 0.636 2.789 -15.529 1.00 0.00 H new ATOM 0 HB1 ALA C 12 -0.569 4.436 -14.117 1.00 0.00 H new ATOM 0 HB2 ALA C 12 0.341 5.249 -15.412 1.00 0.00 H new ATOM 0 HB3 ALA C 12 -1.421 5.045 -15.556 1.00 0.00 H new ATOM 60 N LEU C 13 -1.198 1.163 -15.040 1.00 0.00 N ATOM 61 CA LEU C 13 -2.305 0.220 -14.716 1.00 0.00 C ATOM 62 C LEU C 13 -2.982 0.655 -13.416 1.00 0.00 C ATOM 63 O LEU C 13 -4.192 0.725 -13.327 1.00 0.00 O ATOM 64 CB LEU C 13 -1.740 -1.191 -14.543 1.00 0.00 C ATOM 65 CG LEU C 13 -0.780 -1.503 -15.690 1.00 0.00 C ATOM 66 CD1 LEU C 13 -0.137 -2.870 -15.455 1.00 0.00 C ATOM 67 CD2 LEU C 13 -1.552 -1.521 -17.011 1.00 0.00 C ATOM 0 H LEU C 13 -0.262 0.831 -14.808 1.00 0.00 H new ATOM 0 HA LEU C 13 -3.033 0.225 -15.527 1.00 0.00 H new ATOM 0 HB2 LEU C 13 -1.220 -1.271 -13.588 1.00 0.00 H new ATOM 0 HB3 LEU C 13 -2.551 -1.919 -14.526 1.00 0.00 H new ATOM 0 HG LEU C 13 -0.004 -0.739 -15.735 1.00 0.00 H new ATOM 0 HD11 LEU C 13 0.548 -3.095 -16.272 1.00 0.00 H new ATOM 0 HD12 LEU C 13 0.412 -2.857 -14.514 1.00 0.00 H new ATOM 0 HD13 LEU C 13 -0.913 -3.634 -15.411 1.00 0.00 H new ATOM 0 HD21 LEU C 13 -0.867 -1.744 -17.829 1.00 0.00 H new ATOM 0 HD22 LEU C 13 -2.328 -2.286 -16.969 1.00 0.00 H new ATOM 0 HD23 LEU C 13 -2.012 -0.547 -17.177 1.00 0.00 H new ATOM 79 N TYR C 14 -2.210 0.948 -12.406 1.00 0.00 N ATOM 80 CA TYR C 14 -2.811 1.377 -11.110 1.00 0.00 C ATOM 81 C TYR C 14 -2.494 2.854 -10.869 1.00 0.00 C ATOM 82 O TYR C 14 -1.495 3.368 -11.332 1.00 0.00 O ATOM 83 CB TYR C 14 -2.229 0.540 -9.966 1.00 0.00 C ATOM 84 CG TYR C 14 -1.860 -0.855 -10.479 1.00 0.00 C ATOM 85 CD1 TYR C 14 -2.636 -1.482 -11.432 1.00 0.00 C ATOM 86 CD2 TYR C 14 -0.742 -1.504 -9.995 1.00 0.00 C ATOM 87 CE1 TYR C 14 -2.301 -2.739 -11.893 1.00 0.00 C ATOM 88 CE2 TYR C 14 -0.408 -2.761 -10.455 1.00 0.00 C ATOM 89 CZ TYR C 14 -1.185 -3.388 -11.407 1.00 0.00 C ATOM 90 OH TYR C 14 -0.852 -4.646 -11.866 1.00 0.00 O ATOM 0 H TYR C 14 -1.191 0.909 -12.421 1.00 0.00 H new ATOM 0 HA TYR C 14 -3.891 1.233 -11.148 1.00 0.00 H new ATOM 0 HB2 TYR C 14 -1.347 1.032 -9.556 1.00 0.00 H new ATOM 0 HB3 TYR C 14 -2.954 0.460 -9.156 1.00 0.00 H new ATOM 0 HD1 TYR C 14 -3.513 -0.985 -11.820 1.00 0.00 H new ATOM 0 HD2 TYR C 14 -0.124 -1.024 -9.251 1.00 0.00 H new ATOM 0 HE1 TYR C 14 -2.917 -3.218 -12.640 1.00 0.00 H new ATOM 0 HE2 TYR C 14 0.469 -3.258 -10.067 1.00 0.00 H new ATOM 0 HH TYR C 14 -0.037 -4.953 -11.417 1.00 0.00 H new ATOM 100 N ASP C 15 -3.337 3.540 -10.148 1.00 0.00 N ATOM 101 CA ASP C 15 -3.083 4.983 -9.878 1.00 0.00 C ATOM 102 C ASP C 15 -1.875 5.125 -8.951 1.00 0.00 C ATOM 103 O ASP C 15 -1.836 4.563 -7.874 1.00 0.00 O ATOM 104 CB ASP C 15 -4.314 5.600 -9.212 1.00 0.00 C ATOM 105 CG ASP C 15 -5.580 4.950 -9.774 1.00 0.00 C ATOM 106 OD1 ASP C 15 -5.503 4.382 -10.852 1.00 0.00 O ATOM 107 OD2 ASP C 15 -6.606 5.031 -9.119 1.00 0.00 O ATOM 0 H ASP C 15 -4.190 3.164 -9.734 1.00 0.00 H new ATOM 0 HA ASP C 15 -2.881 5.498 -10.817 1.00 0.00 H new ATOM 0 HB2 ASP C 15 -4.267 5.456 -8.133 1.00 0.00 H new ATOM 0 HB3 ASP C 15 -4.336 6.675 -9.389 1.00 0.00 H new ATOM 112 N TYR C 16 -0.887 5.874 -9.359 1.00 0.00 N ATOM 113 CA TYR C 16 0.320 6.054 -8.502 1.00 0.00 C ATOM 114 C TYR C 16 0.251 7.413 -7.803 1.00 0.00 C ATOM 115 O TYR C 16 0.393 8.449 -8.424 1.00 0.00 O ATOM 116 CB TYR C 16 1.578 5.989 -9.372 1.00 0.00 C ATOM 117 CG TYR C 16 2.804 6.358 -8.534 1.00 0.00 C ATOM 118 CD1 TYR C 16 2.897 5.966 -7.214 1.00 0.00 C ATOM 119 CD2 TYR C 16 3.840 7.084 -9.089 1.00 0.00 C ATOM 120 CE1 TYR C 16 4.008 6.293 -6.462 1.00 0.00 C ATOM 121 CE2 TYR C 16 4.950 7.411 -8.337 1.00 0.00 C ATOM 122 CZ TYR C 16 5.043 7.018 -7.017 1.00 0.00 C ATOM 123 OH TYR C 16 6.152 7.347 -6.264 1.00 0.00 O ATOM 0 H TYR C 16 -0.863 6.370 -10.250 1.00 0.00 H new ATOM 0 HA TYR C 16 0.356 5.263 -7.753 1.00 0.00 H new ATOM 0 HB2 TYR C 16 1.695 4.987 -9.784 1.00 0.00 H new ATOM 0 HB3 TYR C 16 1.484 6.672 -10.216 1.00 0.00 H new ATOM 0 HD1 TYR C 16 2.095 5.399 -6.766 1.00 0.00 H new ATOM 0 HD2 TYR C 16 3.781 7.398 -10.121 1.00 0.00 H new ATOM 0 HE1 TYR C 16 4.068 5.979 -5.430 1.00 0.00 H new ATOM 0 HE2 TYR C 16 5.752 7.979 -8.785 1.00 0.00 H new ATOM 0 HH TYR C 16 6.891 6.743 -6.489 1.00 0.00 H new ATOM 133 N GLU C 17 0.035 7.417 -6.516 1.00 0.00 N ATOM 134 CA GLU C 17 -0.044 8.708 -5.774 1.00 0.00 C ATOM 135 C GLU C 17 1.364 9.136 -5.351 1.00 0.00 C ATOM 136 O GLU C 17 1.648 9.298 -4.182 1.00 0.00 O ATOM 137 CB GLU C 17 -0.917 8.529 -4.532 1.00 0.00 C ATOM 138 CG GLU C 17 -0.255 7.527 -3.584 1.00 0.00 C ATOM 139 CD GLU C 17 -1.317 6.588 -3.011 1.00 0.00 C ATOM 140 OE1 GLU C 17 -2.062 6.019 -3.793 1.00 0.00 O ATOM 141 OE2 GLU C 17 -1.369 6.453 -1.800 1.00 0.00 O ATOM 0 H GLU C 17 -0.090 6.581 -5.945 1.00 0.00 H new ATOM 0 HA GLU C 17 -0.480 9.473 -6.417 1.00 0.00 H new ATOM 0 HB2 GLU C 17 -1.053 9.486 -4.029 1.00 0.00 H new ATOM 0 HB3 GLU C 17 -1.907 8.175 -4.818 1.00 0.00 H new ATOM 0 HG2 GLU C 17 0.504 6.953 -4.116 1.00 0.00 H new ATOM 0 HG3 GLU C 17 0.253 8.055 -2.777 1.00 0.00 H new ATOM 148 N SER C 18 2.245 9.320 -6.296 1.00 0.00 N ATOM 149 CA SER C 18 3.633 9.738 -5.950 1.00 0.00 C ATOM 150 C SER C 18 3.590 10.834 -4.884 1.00 0.00 C ATOM 151 O SER C 18 2.806 11.759 -4.961 1.00 0.00 O ATOM 152 CB SER C 18 4.330 10.272 -7.202 1.00 0.00 C ATOM 153 OG SER C 18 5.634 9.718 -7.291 1.00 0.00 O ATOM 0 H SER C 18 2.064 9.199 -7.292 1.00 0.00 H new ATOM 0 HA SER C 18 4.183 8.880 -5.563 1.00 0.00 H new ATOM 0 HB2 SER C 18 3.753 10.015 -8.090 1.00 0.00 H new ATOM 0 HB3 SER C 18 4.387 11.360 -7.163 1.00 0.00 H new ATOM 0 HG SER C 18 5.591 8.753 -7.127 1.00 0.00 H new ATOM 159 N ARG C 19 4.429 10.736 -3.888 1.00 0.00 N ATOM 160 CA ARG C 19 4.440 11.769 -2.816 1.00 0.00 C ATOM 161 C ARG C 19 5.858 12.319 -2.657 1.00 0.00 C ATOM 162 O ARG C 19 6.196 12.913 -1.652 1.00 0.00 O ATOM 163 CB ARG C 19 3.987 11.141 -1.496 1.00 0.00 C ATOM 164 CG ARG C 19 2.491 11.391 -1.297 1.00 0.00 C ATOM 165 CD ARG C 19 2.215 12.895 -1.324 1.00 0.00 C ATOM 166 NE ARG C 19 1.569 13.259 -2.618 1.00 0.00 N ATOM 167 CZ ARG C 19 1.227 14.496 -2.856 1.00 0.00 C ATOM 168 NH1 ARG C 19 1.449 15.424 -1.964 1.00 0.00 N ATOM 169 NH2 ARG C 19 0.660 14.807 -3.990 1.00 0.00 N ATOM 0 H ARG C 19 5.108 9.983 -3.772 1.00 0.00 H new ATOM 0 HA ARG C 19 3.761 12.579 -3.084 1.00 0.00 H new ATOM 0 HB2 ARG C 19 4.190 10.070 -1.503 1.00 0.00 H new ATOM 0 HB3 ARG C 19 4.551 11.567 -0.666 1.00 0.00 H new ATOM 0 HG2 ARG C 19 1.921 10.892 -2.081 1.00 0.00 H new ATOM 0 HG3 ARG C 19 2.164 10.968 -0.347 1.00 0.00 H new ATOM 0 HD2 ARG C 19 1.568 13.172 -0.492 1.00 0.00 H new ATOM 0 HD3 ARG C 19 3.146 13.449 -1.202 1.00 0.00 H new ATOM 0 HE ARG C 19 1.394 12.539 -3.319 1.00 0.00 H new ATOM 0 HH11 ARG C 19 1.891 15.183 -1.077 1.00 0.00 H new ATOM 0 HH12 ARG C 19 1.180 16.389 -2.154 1.00 0.00 H new ATOM 0 HH21 ARG C 19 0.485 14.084 -4.688 1.00 0.00 H new ATOM 0 HH22 ARG C 19 0.392 15.773 -4.178 1.00 0.00 H new ATOM 183 N THR C 20 6.693 12.127 -3.642 1.00 0.00 N ATOM 184 CA THR C 20 8.089 12.638 -3.545 1.00 0.00 C ATOM 185 C THR C 20 8.225 13.923 -4.363 1.00 0.00 C ATOM 186 O THR C 20 7.334 14.301 -5.097 1.00 0.00 O ATOM 187 CB THR C 20 9.057 11.584 -4.089 1.00 0.00 C ATOM 188 OG1 THR C 20 8.434 10.308 -4.048 1.00 0.00 O ATOM 189 CG2 THR C 20 10.324 11.564 -3.234 1.00 0.00 C ATOM 0 H THR C 20 6.468 11.639 -4.509 1.00 0.00 H new ATOM 0 HA THR C 20 8.325 12.847 -2.502 1.00 0.00 H new ATOM 0 HB THR C 20 9.321 11.827 -5.118 1.00 0.00 H new ATOM 0 HG1 THR C 20 9.051 9.631 -4.397 1.00 0.00 H new ATOM 0 HG21 THR C 20 11.013 10.813 -3.622 1.00 0.00 H new ATOM 0 HG22 THR C 20 10.800 12.544 -3.266 1.00 0.00 H new ATOM 0 HG23 THR C 20 10.064 11.320 -2.204 1.00 0.00 H new ATOM 197 N GLU C 21 9.334 14.598 -4.238 1.00 0.00 N ATOM 198 CA GLU C 21 9.532 15.860 -5.007 1.00 0.00 C ATOM 199 C GLU C 21 10.184 15.547 -6.356 1.00 0.00 C ATOM 200 O GLU C 21 10.912 16.349 -6.905 1.00 0.00 O ATOM 201 CB GLU C 21 10.437 16.802 -4.211 1.00 0.00 C ATOM 202 CG GLU C 21 9.580 17.844 -3.488 1.00 0.00 C ATOM 203 CD GLU C 21 10.418 19.095 -3.220 1.00 0.00 C ATOM 204 OE1 GLU C 21 10.663 19.832 -4.160 1.00 0.00 O ATOM 205 OE2 GLU C 21 10.799 19.294 -2.079 1.00 0.00 O ATOM 0 H GLU C 21 10.113 14.330 -3.636 1.00 0.00 H new ATOM 0 HA GLU C 21 8.566 16.335 -5.176 1.00 0.00 H new ATOM 0 HB2 GLU C 21 11.025 16.235 -3.489 1.00 0.00 H new ATOM 0 HB3 GLU C 21 11.143 17.296 -4.879 1.00 0.00 H new ATOM 0 HG2 GLU C 21 8.710 18.099 -4.093 1.00 0.00 H new ATOM 0 HG3 GLU C 21 9.206 17.435 -2.549 1.00 0.00 H new ATOM 212 N THR C 22 9.930 14.385 -6.895 1.00 0.00 N ATOM 213 CA THR C 22 10.537 14.026 -8.207 1.00 0.00 C ATOM 214 C THR C 22 9.556 13.163 -9.002 1.00 0.00 C ATOM 215 O THR C 22 8.936 13.617 -9.944 1.00 0.00 O ATOM 216 CB THR C 22 11.832 13.243 -7.975 1.00 0.00 C ATOM 217 OG1 THR C 22 12.250 13.415 -6.629 1.00 0.00 O ATOM 218 CG2 THR C 22 12.918 13.758 -8.920 1.00 0.00 C ATOM 0 H THR C 22 9.329 13.671 -6.484 1.00 0.00 H new ATOM 0 HA THR C 22 10.758 14.936 -8.766 1.00 0.00 H new ATOM 0 HB THR C 22 11.659 12.185 -8.170 1.00 0.00 H new ATOM 0 HG1 THR C 22 13.078 12.914 -6.477 1.00 0.00 H new ATOM 0 HG21 THR C 22 13.839 13.200 -8.754 1.00 0.00 H new ATOM 0 HG22 THR C 22 12.595 13.626 -9.952 1.00 0.00 H new ATOM 0 HG23 THR C 22 13.095 14.816 -8.728 1.00 0.00 H new ATOM 226 N ASP C 23 9.410 11.921 -8.630 1.00 0.00 N ATOM 227 CA ASP C 23 8.469 11.030 -9.363 1.00 0.00 C ATOM 228 C ASP C 23 7.109 11.719 -9.492 1.00 0.00 C ATOM 229 O ASP C 23 6.592 12.275 -8.543 1.00 0.00 O ATOM 230 CB ASP C 23 8.305 9.719 -8.590 1.00 0.00 C ATOM 231 CG ASP C 23 9.679 9.216 -8.142 1.00 0.00 C ATOM 232 OD1 ASP C 23 10.666 9.755 -8.613 1.00 0.00 O ATOM 233 OD2 ASP C 23 9.718 8.301 -7.336 1.00 0.00 O ATOM 0 H ASP C 23 9.902 11.485 -7.850 1.00 0.00 H new ATOM 0 HA ASP C 23 8.865 10.821 -10.357 1.00 0.00 H new ATOM 0 HB2 ASP C 23 7.662 9.873 -7.723 1.00 0.00 H new ATOM 0 HB3 ASP C 23 7.820 8.972 -9.218 1.00 0.00 H new ATOM 238 N LEU C 24 6.527 11.689 -10.659 1.00 0.00 N ATOM 239 CA LEU C 24 5.202 12.344 -10.846 1.00 0.00 C ATOM 240 C LEU C 24 4.090 11.340 -10.537 1.00 0.00 C ATOM 241 O LEU C 24 4.245 10.151 -10.725 1.00 0.00 O ATOM 242 CB LEU C 24 5.068 12.822 -12.292 1.00 0.00 C ATOM 243 CG LEU C 24 6.173 13.834 -12.603 1.00 0.00 C ATOM 244 CD1 LEU C 24 6.248 14.053 -14.114 1.00 0.00 C ATOM 245 CD2 LEU C 24 5.860 15.161 -11.909 1.00 0.00 C ATOM 0 H LEU C 24 6.911 11.240 -11.490 1.00 0.00 H new ATOM 0 HA LEU C 24 5.121 13.197 -10.173 1.00 0.00 H new ATOM 0 HB2 LEU C 24 5.135 11.974 -12.974 1.00 0.00 H new ATOM 0 HB3 LEU C 24 4.090 13.278 -12.446 1.00 0.00 H new ATOM 0 HG LEU C 24 7.129 13.454 -12.242 1.00 0.00 H new ATOM 0 HD11 LEU C 24 7.034 14.774 -14.339 1.00 0.00 H new ATOM 0 HD12 LEU C 24 6.470 13.107 -14.608 1.00 0.00 H new ATOM 0 HD13 LEU C 24 5.293 14.435 -14.474 1.00 0.00 H new ATOM 0 HD21 LEU C 24 6.647 15.882 -12.130 1.00 0.00 H new ATOM 0 HD22 LEU C 24 4.905 15.544 -12.270 1.00 0.00 H new ATOM 0 HD23 LEU C 24 5.804 15.004 -10.832 1.00 0.00 H new ATOM 257 N SER C 25 2.970 11.812 -10.063 1.00 0.00 N ATOM 258 CA SER C 25 1.848 10.886 -9.743 1.00 0.00 C ATOM 259 C SER C 25 0.928 10.765 -10.958 1.00 0.00 C ATOM 260 O SER C 25 0.645 11.736 -11.633 1.00 0.00 O ATOM 261 CB SER C 25 1.056 11.439 -8.556 1.00 0.00 C ATOM 262 OG SER C 25 1.658 12.642 -8.105 1.00 0.00 O ATOM 0 H SER C 25 2.784 12.799 -9.884 1.00 0.00 H new ATOM 0 HA SER C 25 2.246 9.904 -9.489 1.00 0.00 H new ATOM 0 HB2 SER C 25 0.023 11.625 -8.849 1.00 0.00 H new ATOM 0 HB3 SER C 25 1.032 10.707 -7.749 1.00 0.00 H new ATOM 0 HG SER C 25 1.150 12.997 -7.346 1.00 0.00 H new ATOM 268 N PHE C 26 0.460 9.581 -11.248 1.00 0.00 N ATOM 269 CA PHE C 26 -0.440 9.407 -12.422 1.00 0.00 C ATOM 270 C PHE C 26 -1.663 8.587 -12.010 1.00 0.00 C ATOM 271 O PHE C 26 -1.786 8.163 -10.879 1.00 0.00 O ATOM 272 CB PHE C 26 0.307 8.683 -13.544 1.00 0.00 C ATOM 273 CG PHE C 26 1.068 7.488 -12.972 1.00 0.00 C ATOM 274 CD1 PHE C 26 0.420 6.288 -12.767 1.00 0.00 C ATOM 275 CD2 PHE C 26 2.413 7.590 -12.663 1.00 0.00 C ATOM 276 CE1 PHE C 26 1.104 5.200 -12.262 1.00 0.00 C ATOM 277 CE2 PHE C 26 3.098 6.503 -12.157 1.00 0.00 C ATOM 278 CZ PHE C 26 2.442 5.308 -11.957 1.00 0.00 C ATOM 0 H PHE C 26 0.662 8.730 -10.724 1.00 0.00 H new ATOM 0 HA PHE C 26 -0.761 10.386 -12.778 1.00 0.00 H new ATOM 0 HB2 PHE C 26 -0.398 8.347 -14.305 1.00 0.00 H new ATOM 0 HB3 PHE C 26 1.001 9.368 -14.032 1.00 0.00 H new ATOM 0 HD1 PHE C 26 -0.630 6.199 -13.003 1.00 0.00 H new ATOM 0 HD2 PHE C 26 2.930 8.525 -12.819 1.00 0.00 H new ATOM 0 HE1 PHE C 26 0.589 4.264 -12.106 1.00 0.00 H new ATOM 0 HE2 PHE C 26 4.148 6.590 -11.918 1.00 0.00 H new ATOM 0 HZ PHE C 26 2.977 4.457 -11.561 1.00 0.00 H new ATOM 288 N LYS C 27 -2.569 8.361 -12.921 1.00 0.00 N ATOM 289 CA LYS C 27 -3.784 7.567 -12.581 1.00 0.00 C ATOM 290 C LYS C 27 -4.136 6.642 -13.748 1.00 0.00 C ATOM 291 O LYS C 27 -3.682 6.828 -14.860 1.00 0.00 O ATOM 292 CB LYS C 27 -4.952 8.517 -12.312 1.00 0.00 C ATOM 293 CG LYS C 27 -4.857 9.052 -10.880 1.00 0.00 C ATOM 294 CD LYS C 27 -5.564 10.406 -10.791 1.00 0.00 C ATOM 295 CE LYS C 27 -4.699 11.384 -9.992 1.00 0.00 C ATOM 296 NZ LYS C 27 -5.114 12.781 -10.302 1.00 0.00 N ATOM 0 H LYS C 27 -2.521 8.691 -13.885 1.00 0.00 H new ATOM 0 HA LYS C 27 -3.589 6.968 -11.692 1.00 0.00 H new ATOM 0 HB2 LYS C 27 -4.933 9.344 -13.022 1.00 0.00 H new ATOM 0 HB3 LYS C 27 -5.899 7.996 -12.455 1.00 0.00 H new ATOM 0 HG2 LYS C 27 -5.313 8.346 -10.186 1.00 0.00 H new ATOM 0 HG3 LYS C 27 -3.812 9.156 -10.588 1.00 0.00 H new ATOM 0 HD2 LYS C 27 -5.746 10.799 -11.791 1.00 0.00 H new ATOM 0 HD3 LYS C 27 -6.536 10.289 -10.312 1.00 0.00 H new ATOM 0 HE2 LYS C 27 -4.804 11.190 -8.924 1.00 0.00 H new ATOM 0 HE3 LYS C 27 -3.647 11.242 -10.240 1.00 0.00 H new ATOM 0 HZ1 LYS C 27 -4.527 13.446 -9.759 1.00 0.00 H new ATOM 0 HZ2 LYS C 27 -4.992 12.962 -11.319 1.00 0.00 H new ATOM 0 HZ3 LYS C 27 -6.113 12.912 -10.044 1.00 0.00 H new ATOM 310 N LYS C 28 -4.945 5.649 -13.503 1.00 0.00 N ATOM 311 CA LYS C 28 -5.329 4.711 -14.595 1.00 0.00 C ATOM 312 C LYS C 28 -5.810 5.516 -15.805 1.00 0.00 C ATOM 313 O LYS C 28 -6.544 6.474 -15.673 1.00 0.00 O ATOM 314 CB LYS C 28 -6.452 3.792 -14.102 1.00 0.00 C ATOM 315 CG LYS C 28 -7.129 3.114 -15.296 1.00 0.00 C ATOM 316 CD LYS C 28 -8.452 3.819 -15.598 1.00 0.00 C ATOM 317 CE LYS C 28 -9.067 3.229 -16.868 1.00 0.00 C ATOM 318 NZ LYS C 28 -10.348 3.929 -17.170 1.00 0.00 N ATOM 0 H LYS C 28 -5.357 5.446 -12.592 1.00 0.00 H new ATOM 0 HA LYS C 28 -4.469 4.106 -14.883 1.00 0.00 H new ATOM 0 HB2 LYS C 28 -6.048 3.039 -13.426 1.00 0.00 H new ATOM 0 HB3 LYS C 28 -7.184 4.368 -13.536 1.00 0.00 H new ATOM 0 HG2 LYS C 28 -6.476 3.153 -16.168 1.00 0.00 H new ATOM 0 HG3 LYS C 28 -7.307 2.061 -15.077 1.00 0.00 H new ATOM 0 HD2 LYS C 28 -9.139 3.701 -14.760 1.00 0.00 H new ATOM 0 HD3 LYS C 28 -8.285 4.889 -15.725 1.00 0.00 H new ATOM 0 HE2 LYS C 28 -8.376 3.336 -17.704 1.00 0.00 H new ATOM 0 HE3 LYS C 28 -9.245 2.162 -16.737 1.00 0.00 H new ATOM 0 HZ1 LYS C 28 -10.767 3.529 -18.033 1.00 0.00 H new ATOM 0 HZ2 LYS C 28 -11.007 3.805 -16.375 1.00 0.00 H new ATOM 0 HZ3 LYS C 28 -10.164 4.943 -17.312 1.00 0.00 H new ATOM 332 N GLY C 29 -5.403 5.131 -16.984 1.00 0.00 N ATOM 333 CA GLY C 29 -5.838 5.874 -18.200 1.00 0.00 C ATOM 334 C GLY C 29 -4.772 6.904 -18.582 1.00 0.00 C ATOM 335 O GLY C 29 -4.890 7.593 -19.576 1.00 0.00 O ATOM 0 H GLY C 29 -4.789 4.335 -17.157 1.00 0.00 H new ATOM 0 HA2 GLY C 29 -5.999 5.179 -19.025 1.00 0.00 H new ATOM 0 HA3 GLY C 29 -6.789 6.372 -18.013 1.00 0.00 H new ATOM 339 N GLU C 30 -3.731 7.016 -17.800 1.00 0.00 N ATOM 340 CA GLU C 30 -2.661 8.002 -18.122 1.00 0.00 C ATOM 341 C GLU C 30 -1.610 7.340 -19.015 1.00 0.00 C ATOM 342 O GLU C 30 -1.242 6.199 -18.820 1.00 0.00 O ATOM 343 CB GLU C 30 -1.999 8.477 -16.826 1.00 0.00 C ATOM 344 CG GLU C 30 -0.933 9.526 -17.152 1.00 0.00 C ATOM 345 CD GLU C 30 -0.579 10.305 -15.883 1.00 0.00 C ATOM 346 OE1 GLU C 30 -1.300 10.172 -14.908 1.00 0.00 O ATOM 347 OE2 GLU C 30 0.408 11.022 -15.908 1.00 0.00 O ATOM 0 H GLU C 30 -3.576 6.468 -16.954 1.00 0.00 H new ATOM 0 HA GLU C 30 -3.097 8.854 -18.643 1.00 0.00 H new ATOM 0 HB2 GLU C 30 -2.748 8.900 -16.156 1.00 0.00 H new ATOM 0 HB3 GLU C 30 -1.547 7.633 -16.306 1.00 0.00 H new ATOM 0 HG2 GLU C 30 -0.043 9.043 -17.555 1.00 0.00 H new ATOM 0 HG3 GLU C 30 -1.301 10.207 -17.919 1.00 0.00 H new ATOM 354 N ARG C 31 -1.123 8.049 -19.997 1.00 0.00 N ATOM 355 CA ARG C 31 -0.096 7.462 -20.903 1.00 0.00 C ATOM 356 C ARG C 31 1.280 8.026 -20.545 1.00 0.00 C ATOM 357 O ARG C 31 1.441 9.212 -20.336 1.00 0.00 O ATOM 358 CB ARG C 31 -0.432 7.817 -22.353 1.00 0.00 C ATOM 359 CG ARG C 31 -1.192 6.658 -22.999 1.00 0.00 C ATOM 360 CD ARG C 31 -0.198 5.704 -23.664 1.00 0.00 C ATOM 361 NE ARG C 31 -0.907 4.879 -24.682 1.00 0.00 N ATOM 362 CZ ARG C 31 -0.336 3.814 -25.178 1.00 0.00 C ATOM 363 NH1 ARG C 31 0.862 3.468 -24.787 1.00 0.00 N ATOM 364 NH2 ARG C 31 -0.963 3.096 -26.069 1.00 0.00 N ATOM 0 H ARG C 31 -1.392 9.009 -20.211 1.00 0.00 H new ATOM 0 HA ARG C 31 -0.086 6.378 -20.788 1.00 0.00 H new ATOM 0 HB2 ARG C 31 -1.035 8.724 -22.386 1.00 0.00 H new ATOM 0 HB3 ARG C 31 0.482 8.021 -22.910 1.00 0.00 H new ATOM 0 HG2 ARG C 31 -1.774 6.127 -22.246 1.00 0.00 H new ATOM 0 HG3 ARG C 31 -1.897 7.038 -23.738 1.00 0.00 H new ATOM 0 HD2 ARG C 31 0.606 6.270 -24.135 1.00 0.00 H new ATOM 0 HD3 ARG C 31 0.262 5.060 -22.914 1.00 0.00 H new ATOM 0 HE ARG C 31 -1.841 5.147 -24.993 1.00 0.00 H new ATOM 0 HH11 ARG C 31 1.354 4.030 -24.093 1.00 0.00 H new ATOM 0 HH12 ARG C 31 1.305 2.636 -25.176 1.00 0.00 H new ATOM 0 HH21 ARG C 31 -1.897 3.367 -26.377 1.00 0.00 H new ATOM 0 HH22 ARG C 31 -0.519 2.264 -26.458 1.00 0.00 H new ATOM 378 N LEU C 32 2.277 7.186 -20.471 1.00 0.00 N ATOM 379 CA LEU C 32 3.641 7.677 -20.127 1.00 0.00 C ATOM 380 C LEU C 32 4.667 7.031 -21.060 1.00 0.00 C ATOM 381 O LEU C 32 4.523 5.893 -21.464 1.00 0.00 O ATOM 382 CB LEU C 32 3.964 7.302 -18.679 1.00 0.00 C ATOM 383 CG LEU C 32 2.846 7.802 -17.761 1.00 0.00 C ATOM 384 CD1 LEU C 32 2.010 6.614 -17.282 1.00 0.00 C ATOM 385 CD2 LEU C 32 3.459 8.515 -16.554 1.00 0.00 C ATOM 0 H LEU C 32 2.205 6.182 -20.634 1.00 0.00 H new ATOM 0 HA LEU C 32 3.678 8.760 -20.242 1.00 0.00 H new ATOM 0 HB2 LEU C 32 4.069 6.221 -18.587 1.00 0.00 H new ATOM 0 HB3 LEU C 32 4.917 7.741 -18.382 1.00 0.00 H new ATOM 0 HG LEU C 32 2.209 8.497 -18.308 1.00 0.00 H new ATOM 0 HD11 LEU C 32 1.214 6.970 -16.628 1.00 0.00 H new ATOM 0 HD12 LEU C 32 1.574 6.106 -18.142 1.00 0.00 H new ATOM 0 HD13 LEU C 32 2.646 5.919 -16.734 1.00 0.00 H new ATOM 0 HD21 LEU C 32 2.664 8.872 -15.899 1.00 0.00 H new ATOM 0 HD22 LEU C 32 4.096 7.821 -16.006 1.00 0.00 H new ATOM 0 HD23 LEU C 32 4.055 9.362 -16.895 1.00 0.00 H new ATOM 397 N GLN C 33 5.702 7.746 -21.408 1.00 0.00 N ATOM 398 CA GLN C 33 6.734 7.171 -22.315 1.00 0.00 C ATOM 399 C GLN C 33 7.894 6.622 -21.482 1.00 0.00 C ATOM 400 O GLN C 33 8.462 7.314 -20.661 1.00 0.00 O ATOM 401 CB GLN C 33 7.254 8.261 -23.253 1.00 0.00 C ATOM 402 CG GLN C 33 7.328 7.716 -24.681 1.00 0.00 C ATOM 403 CD GLN C 33 8.648 8.147 -25.322 1.00 0.00 C ATOM 404 OE1 GLN C 33 8.658 8.714 -26.396 1.00 0.00 O ATOM 405 NE2 GLN C 33 9.769 7.901 -24.702 1.00 0.00 N ATOM 0 H GLN C 33 5.877 8.703 -21.103 1.00 0.00 H new ATOM 0 HA GLN C 33 6.293 6.366 -22.903 1.00 0.00 H new ATOM 0 HB2 GLN C 33 6.596 9.129 -23.218 1.00 0.00 H new ATOM 0 HB3 GLN C 33 8.240 8.594 -22.929 1.00 0.00 H new ATOM 0 HG2 GLN C 33 7.254 6.629 -24.671 1.00 0.00 H new ATOM 0 HG3 GLN C 33 6.488 8.087 -25.268 1.00 0.00 H new ATOM 0 HE21 GLN C 33 9.759 7.425 -23.800 1.00 0.00 H new ATOM 0 HE22 GLN C 33 10.655 8.185 -25.119 1.00 0.00 H new ATOM 414 N ILE C 34 8.249 5.383 -21.687 1.00 0.00 N ATOM 415 CA ILE C 34 9.372 4.794 -20.904 1.00 0.00 C ATOM 416 C ILE C 34 10.700 5.354 -21.418 1.00 0.00 C ATOM 417 O ILE C 34 10.955 5.385 -22.605 1.00 0.00 O ATOM 418 CB ILE C 34 9.363 3.272 -21.062 1.00 0.00 C ATOM 419 CG1 ILE C 34 8.007 2.721 -20.615 1.00 0.00 C ATOM 420 CG2 ILE C 34 10.469 2.664 -20.197 1.00 0.00 C ATOM 421 CD1 ILE C 34 7.644 3.310 -19.250 1.00 0.00 C ATOM 0 H ILE C 34 7.811 4.755 -22.361 1.00 0.00 H new ATOM 0 HA ILE C 34 9.254 5.049 -19.851 1.00 0.00 H new ATOM 0 HB ILE C 34 9.534 3.014 -22.107 1.00 0.00 H new ATOM 0 HG12 ILE C 34 7.240 2.973 -21.348 1.00 0.00 H new ATOM 0 HG13 ILE C 34 8.046 1.633 -20.555 1.00 0.00 H new ATOM 0 HG21 ILE C 34 10.464 1.580 -20.309 1.00 0.00 H new ATOM 0 HG22 ILE C 34 11.435 3.057 -20.513 1.00 0.00 H new ATOM 0 HG23 ILE C 34 10.297 2.922 -19.152 1.00 0.00 H new ATOM 0 HD11 ILE C 34 6.678 2.919 -18.930 1.00 0.00 H new ATOM 0 HD12 ILE C 34 8.406 3.036 -18.521 1.00 0.00 H new ATOM 0 HD13 ILE C 34 7.588 4.396 -19.325 1.00 0.00 H new ATOM 433 N VAL C 35 11.548 5.795 -20.531 1.00 0.00 N ATOM 434 CA VAL C 35 12.859 6.354 -20.963 1.00 0.00 C ATOM 435 C VAL C 35 13.931 5.274 -20.864 1.00 0.00 C ATOM 436 O VAL C 35 14.386 4.737 -21.853 1.00 0.00 O ATOM 437 CB VAL C 35 13.244 7.520 -20.052 1.00 0.00 C ATOM 438 CG1 VAL C 35 14.651 8.002 -20.411 1.00 0.00 C ATOM 439 CG2 VAL C 35 12.248 8.667 -20.238 1.00 0.00 C ATOM 0 H VAL C 35 11.389 5.792 -19.523 1.00 0.00 H new ATOM 0 HA VAL C 35 12.778 6.702 -21.993 1.00 0.00 H new ATOM 0 HB VAL C 35 13.225 7.191 -19.013 1.00 0.00 H new ATOM 0 HG11 VAL C 35 14.927 8.833 -19.763 1.00 0.00 H new ATOM 0 HG12 VAL C 35 15.361 7.186 -20.277 1.00 0.00 H new ATOM 0 HG13 VAL C 35 14.669 8.331 -21.450 1.00 0.00 H new ATOM 0 HG21 VAL C 35 12.524 9.497 -19.588 1.00 0.00 H new ATOM 0 HG22 VAL C 35 12.264 8.998 -21.276 1.00 0.00 H new ATOM 0 HG23 VAL C 35 11.246 8.324 -19.982 1.00 0.00 H new ATOM 449 N ASN C 36 14.336 4.956 -19.669 1.00 0.00 N ATOM 450 CA ASN C 36 15.381 3.910 -19.488 1.00 0.00 C ATOM 451 C ASN C 36 14.996 3.000 -18.322 1.00 0.00 C ATOM 452 O ASN C 36 13.852 2.944 -17.916 1.00 0.00 O ATOM 453 CB ASN C 36 16.723 4.582 -19.187 1.00 0.00 C ATOM 454 CG ASN C 36 17.855 3.764 -19.810 1.00 0.00 C ATOM 455 OD1 ASN C 36 17.662 3.098 -20.809 1.00 0.00 O ATOM 456 ND2 ASN C 36 19.038 3.785 -19.259 1.00 0.00 N ATOM 0 H ASN C 36 13.989 5.375 -18.807 1.00 0.00 H new ATOM 0 HA ASN C 36 15.464 3.317 -20.399 1.00 0.00 H new ATOM 0 HB2 ASN C 36 16.731 5.596 -19.586 1.00 0.00 H new ATOM 0 HB3 ASN C 36 16.868 4.662 -18.110 1.00 0.00 H new ATOM 0 HD21 ASN C 36 19.800 3.243 -19.666 1.00 0.00 H new ATOM 0 HD22 ASN C 36 19.200 4.343 -18.421 1.00 0.00 H new ATOM 463 N ASN C 37 15.942 2.284 -17.781 1.00 0.00 N ATOM 464 CA ASN C 37 15.632 1.378 -16.642 1.00 0.00 C ATOM 465 C ASN C 37 14.518 0.412 -17.048 1.00 0.00 C ATOM 466 O ASN C 37 13.365 0.782 -17.140 1.00 0.00 O ATOM 467 CB ASN C 37 15.175 2.208 -15.441 1.00 0.00 C ATOM 468 CG ASN C 37 16.151 3.364 -15.218 1.00 0.00 C ATOM 469 OD1 ASN C 37 15.802 4.513 -15.401 1.00 0.00 O ATOM 470 ND2 ASN C 37 17.370 3.108 -14.827 1.00 0.00 N ATOM 0 H ASN C 37 16.917 2.288 -18.079 1.00 0.00 H new ATOM 0 HA ASN C 37 16.524 0.812 -16.374 1.00 0.00 H new ATOM 0 HB2 ASN C 37 14.171 2.594 -15.614 1.00 0.00 H new ATOM 0 HB3 ASN C 37 15.127 1.582 -14.550 1.00 0.00 H new ATOM 0 HD21 ASN C 37 18.028 3.872 -14.676 1.00 0.00 H new ATOM 0 HD22 ASN C 37 17.664 2.144 -14.673 1.00 0.00 H new ATOM 477 N THR C 38 14.854 -0.824 -17.294 1.00 0.00 N ATOM 478 CA THR C 38 13.814 -1.813 -17.695 1.00 0.00 C ATOM 479 C THR C 38 13.572 -2.786 -16.541 1.00 0.00 C ATOM 480 O THR C 38 12.478 -3.276 -16.346 1.00 0.00 O ATOM 481 CB THR C 38 14.291 -2.589 -18.925 1.00 0.00 C ATOM 482 OG1 THR C 38 13.269 -3.480 -19.347 1.00 0.00 O ATOM 483 CG2 THR C 38 15.550 -3.384 -18.572 1.00 0.00 C ATOM 0 H THR C 38 15.803 -1.192 -17.235 1.00 0.00 H new ATOM 0 HA THR C 38 12.888 -1.291 -17.935 1.00 0.00 H new ATOM 0 HB THR C 38 14.519 -1.890 -19.730 1.00 0.00 H new ATOM 0 HG1 THR C 38 13.573 -3.976 -20.136 1.00 0.00 H new ATOM 0 HG21 THR C 38 15.889 -3.936 -19.448 1.00 0.00 H new ATOM 0 HG22 THR C 38 16.334 -2.699 -18.249 1.00 0.00 H new ATOM 0 HG23 THR C 38 15.325 -4.084 -17.767 1.00 0.00 H new ATOM 491 N GLU C 39 14.588 -3.065 -15.772 1.00 0.00 N ATOM 492 CA GLU C 39 14.422 -4.006 -14.628 1.00 0.00 C ATOM 493 C GLU C 39 14.256 -3.205 -13.336 1.00 0.00 C ATOM 494 O GLU C 39 14.287 -1.990 -13.339 1.00 0.00 O ATOM 495 CB GLU C 39 15.652 -4.920 -14.501 1.00 0.00 C ATOM 496 CG GLU C 39 16.684 -4.593 -15.586 1.00 0.00 C ATOM 497 CD GLU C 39 17.676 -5.752 -15.712 1.00 0.00 C ATOM 498 OE1 GLU C 39 17.229 -6.869 -15.908 1.00 0.00 O ATOM 499 OE2 GLU C 39 18.866 -5.501 -15.610 1.00 0.00 O ATOM 0 H GLU C 39 15.526 -2.682 -15.886 1.00 0.00 H new ATOM 0 HA GLU C 39 13.540 -4.622 -14.804 1.00 0.00 H new ATOM 0 HB2 GLU C 39 16.102 -4.798 -13.516 1.00 0.00 H new ATOM 0 HB3 GLU C 39 15.347 -5.963 -14.585 1.00 0.00 H new ATOM 0 HG2 GLU C 39 16.184 -4.423 -16.539 1.00 0.00 H new ATOM 0 HG3 GLU C 39 17.213 -3.673 -15.335 1.00 0.00 H new ATOM 506 N GLY C 40 14.080 -3.876 -12.231 1.00 0.00 N ATOM 507 CA GLY C 40 13.912 -3.153 -10.939 1.00 0.00 C ATOM 508 C GLY C 40 12.428 -2.861 -10.709 1.00 0.00 C ATOM 509 O GLY C 40 11.578 -3.697 -10.940 1.00 0.00 O ATOM 0 H GLY C 40 14.045 -4.893 -12.167 1.00 0.00 H new ATOM 0 HA2 GLY C 40 14.307 -3.754 -10.120 1.00 0.00 H new ATOM 0 HA3 GLY C 40 14.479 -2.222 -10.954 1.00 0.00 H new ATOM 513 N ASP C 41 12.111 -1.679 -10.257 1.00 0.00 N ATOM 514 CA ASP C 41 10.684 -1.334 -10.013 1.00 0.00 C ATOM 515 C ASP C 41 10.521 0.188 -10.028 1.00 0.00 C ATOM 516 O ASP C 41 9.652 0.736 -9.381 1.00 0.00 O ATOM 517 CB ASP C 41 10.253 -1.878 -8.649 1.00 0.00 C ATOM 518 CG ASP C 41 10.611 -3.362 -8.558 1.00 0.00 C ATOM 519 OD1 ASP C 41 9.784 -4.176 -8.935 1.00 0.00 O ATOM 520 OD2 ASP C 41 11.707 -3.661 -8.111 1.00 0.00 O ATOM 0 H ASP C 41 12.779 -0.938 -10.046 1.00 0.00 H new ATOM 0 HA ASP C 41 10.064 -1.776 -10.793 1.00 0.00 H new ATOM 0 HB2 ASP C 41 10.748 -1.324 -7.851 1.00 0.00 H new ATOM 0 HB3 ASP C 41 9.180 -1.742 -8.514 1.00 0.00 H new ATOM 525 N TRP C 42 11.353 0.876 -10.762 1.00 0.00 N ATOM 526 CA TRP C 42 11.245 2.361 -10.819 1.00 0.00 C ATOM 527 C TRP C 42 11.926 2.877 -12.089 1.00 0.00 C ATOM 528 O TRP C 42 13.131 3.024 -12.142 1.00 0.00 O ATOM 529 CB TRP C 42 11.930 2.965 -9.592 1.00 0.00 C ATOM 530 CG TRP C 42 11.005 2.838 -8.380 1.00 0.00 C ATOM 531 CD1 TRP C 42 11.188 1.991 -7.354 1.00 0.00 C ATOM 532 CD2 TRP C 42 9.899 3.552 -8.188 1.00 0.00 C ATOM 533 NE1 TRP C 42 10.148 2.236 -6.554 1.00 0.00 N ATOM 534 CE2 TRP C 42 9.294 3.195 -6.998 1.00 0.00 C ATOM 535 CE3 TRP C 42 9.336 4.530 -8.981 1.00 0.00 C ATOM 536 CZ2 TRP C 42 8.126 3.816 -6.604 1.00 0.00 C ATOM 537 CZ3 TRP C 42 8.169 5.152 -8.587 1.00 0.00 C ATOM 538 CH2 TRP C 42 7.564 4.794 -7.399 1.00 0.00 C ATOM 0 H TRP C 42 12.103 0.473 -11.324 1.00 0.00 H new ATOM 0 HA TRP C 42 10.194 2.649 -10.831 1.00 0.00 H new ATOM 0 HB2 TRP C 42 12.873 2.453 -9.399 1.00 0.00 H new ATOM 0 HB3 TRP C 42 12.168 4.013 -9.774 1.00 0.00 H new ATOM 0 HD1 TRP C 42 11.988 1.280 -7.210 1.00 0.00 H new ATOM 0 HE1 TRP C 42 10.005 1.740 -5.674 1.00 0.00 H new ATOM 0 HE3 TRP C 42 9.809 4.809 -9.911 1.00 0.00 H new ATOM 0 HZ2 TRP C 42 7.652 3.537 -5.674 1.00 0.00 H new ATOM 0 HZ3 TRP C 42 7.729 5.919 -9.208 1.00 0.00 H new ATOM 0 HH2 TRP C 42 6.650 5.280 -7.091 1.00 0.00 H new ATOM 549 N TRP C 43 11.164 3.153 -13.111 1.00 0.00 N ATOM 550 CA TRP C 43 11.766 3.659 -14.376 1.00 0.00 C ATOM 551 C TRP C 43 11.461 5.151 -14.526 1.00 0.00 C ATOM 552 O TRP C 43 10.654 5.705 -13.806 1.00 0.00 O ATOM 553 CB TRP C 43 11.170 2.904 -15.567 1.00 0.00 C ATOM 554 CG TRP C 43 11.303 1.397 -15.342 1.00 0.00 C ATOM 555 CD1 TRP C 43 12.361 0.791 -14.774 1.00 0.00 C ATOM 556 CD2 TRP C 43 10.396 0.488 -15.697 1.00 0.00 C ATOM 557 NE1 TRP C 43 12.039 -0.503 -14.812 1.00 0.00 N ATOM 558 CE2 TRP C 43 10.833 -0.782 -15.372 1.00 0.00 C ATOM 559 CE3 TRP C 43 9.170 0.661 -16.308 1.00 0.00 C ATOM 560 CZ2 TRP C 43 10.044 -1.877 -15.658 1.00 0.00 C ATOM 561 CZ3 TRP C 43 8.382 -0.436 -16.593 1.00 0.00 C ATOM 562 CH2 TRP C 43 8.818 -1.704 -16.268 1.00 0.00 C ATOM 0 H TRP C 43 10.149 3.050 -13.125 1.00 0.00 H new ATOM 0 HA TRP C 43 12.845 3.505 -14.347 1.00 0.00 H new ATOM 0 HB2 TRP C 43 10.121 3.172 -15.691 1.00 0.00 H new ATOM 0 HB3 TRP C 43 11.683 3.191 -16.485 1.00 0.00 H new ATOM 0 HD1 TRP C 43 13.259 1.245 -14.380 1.00 0.00 H new ATOM 0 HE1 TRP C 43 12.654 -1.230 -14.447 1.00 0.00 H new ATOM 0 HE3 TRP C 43 8.828 1.653 -16.563 1.00 0.00 H new ATOM 0 HZ2 TRP C 43 10.386 -2.870 -15.405 1.00 0.00 H new ATOM 0 HZ3 TRP C 43 7.423 -0.302 -17.071 1.00 0.00 H new ATOM 0 HH2 TRP C 43 8.200 -2.561 -16.491 1.00 0.00 H new ATOM 573 N LEU C 44 12.099 5.808 -15.457 1.00 0.00 N ATOM 574 CA LEU C 44 11.843 7.262 -15.653 1.00 0.00 C ATOM 575 C LEU C 44 10.994 7.445 -16.909 1.00 0.00 C ATOM 576 O LEU C 44 11.416 7.123 -18.001 1.00 0.00 O ATOM 577 CB LEU C 44 13.176 7.995 -15.821 1.00 0.00 C ATOM 578 CG LEU C 44 12.914 9.466 -16.150 1.00 0.00 C ATOM 579 CD1 LEU C 44 14.056 10.321 -15.598 1.00 0.00 C ATOM 580 CD2 LEU C 44 12.831 9.642 -17.668 1.00 0.00 C ATOM 0 H LEU C 44 12.787 5.399 -16.090 1.00 0.00 H new ATOM 0 HA LEU C 44 11.318 7.669 -14.789 1.00 0.00 H new ATOM 0 HB2 LEU C 44 13.764 7.915 -14.907 1.00 0.00 H new ATOM 0 HB3 LEU C 44 13.760 7.532 -16.617 1.00 0.00 H new ATOM 0 HG LEU C 44 11.973 9.779 -15.697 1.00 0.00 H new ATOM 0 HD11 LEU C 44 13.871 11.370 -15.831 1.00 0.00 H new ATOM 0 HD12 LEU C 44 14.115 10.195 -14.517 1.00 0.00 H new ATOM 0 HD13 LEU C 44 14.997 10.009 -16.052 1.00 0.00 H new ATOM 0 HD21 LEU C 44 12.644 10.690 -17.903 1.00 0.00 H new ATOM 0 HD22 LEU C 44 13.771 9.330 -18.122 1.00 0.00 H new ATOM 0 HD23 LEU C 44 12.018 9.032 -18.061 1.00 0.00 H new ATOM 592 N ALA C 45 9.802 7.955 -16.774 1.00 0.00 N ATOM 593 CA ALA C 45 8.951 8.144 -17.980 1.00 0.00 C ATOM 594 C ALA C 45 8.550 9.615 -18.112 1.00 0.00 C ATOM 595 O ALA C 45 8.744 10.409 -17.212 1.00 0.00 O ATOM 596 CB ALA C 45 7.691 7.285 -17.853 1.00 0.00 C ATOM 0 H ALA C 45 9.384 8.246 -15.890 1.00 0.00 H new ATOM 0 HA ALA C 45 9.514 7.845 -18.864 1.00 0.00 H new ATOM 0 HB1 ALA C 45 7.066 7.422 -18.736 1.00 0.00 H new ATOM 0 HB2 ALA C 45 7.973 6.236 -17.768 1.00 0.00 H new ATOM 0 HB3 ALA C 45 7.135 7.584 -16.965 1.00 0.00 H new ATOM 602 N HIS C 46 7.990 9.981 -19.233 1.00 0.00 N ATOM 603 CA HIS C 46 7.572 11.396 -19.438 1.00 0.00 C ATOM 604 C HIS C 46 6.110 11.425 -19.892 1.00 0.00 C ATOM 605 O HIS C 46 5.772 10.964 -20.964 1.00 0.00 O ATOM 606 CB HIS C 46 8.457 12.033 -20.512 1.00 0.00 C ATOM 607 CG HIS C 46 7.907 13.413 -20.876 1.00 0.00 C ATOM 608 ND1 HIS C 46 7.289 14.185 -20.084 1.00 0.00 N ATOM 609 CD2 HIS C 46 7.955 14.096 -22.078 1.00 0.00 C ATOM 610 CE1 HIS C 46 6.954 15.267 -20.680 1.00 0.00 C ATOM 611 NE2 HIS C 46 7.342 15.283 -21.945 1.00 0.00 N ATOM 0 H HIS C 46 7.804 9.358 -20.019 1.00 0.00 H new ATOM 0 HA HIS C 46 7.676 11.953 -18.507 1.00 0.00 H new ATOM 0 HB2 HIS C 46 9.481 12.122 -20.148 1.00 0.00 H new ATOM 0 HB3 HIS C 46 8.487 11.397 -21.397 1.00 0.00 H new ATOM 0 HD1 HIS C 46 7.087 13.974 -19.107 1.00 0.00 H new ATOM 0 HD2 HIS C 46 8.415 13.731 -22.984 1.00 0.00 H new ATOM 0 HE1 HIS C 46 6.416 16.074 -20.205 1.00 0.00 H new ATOM 619 N SER C 47 5.239 11.964 -19.081 1.00 0.00 N ATOM 620 CA SER C 47 3.797 12.024 -19.461 1.00 0.00 C ATOM 621 C SER C 47 3.659 12.464 -20.921 1.00 0.00 C ATOM 622 O SER C 47 2.686 12.155 -21.581 1.00 0.00 O ATOM 623 CB SER C 47 3.078 13.027 -18.559 1.00 0.00 C ATOM 624 OG SER C 47 2.464 12.339 -17.479 1.00 0.00 O ATOM 0 H SER C 47 5.464 12.366 -18.171 1.00 0.00 H new ATOM 0 HA SER C 47 3.353 11.036 -19.342 1.00 0.00 H new ATOM 0 HB2 SER C 47 3.786 13.763 -18.179 1.00 0.00 H new ATOM 0 HB3 SER C 47 2.327 13.573 -19.130 1.00 0.00 H new ATOM 0 HG SER C 47 2.004 12.983 -16.900 1.00 0.00 H new ATOM 630 N LEU C 48 4.619 13.183 -21.430 1.00 0.00 N ATOM 631 CA LEU C 48 4.538 13.640 -22.847 1.00 0.00 C ATOM 632 C LEU C 48 3.312 14.539 -23.021 1.00 0.00 C ATOM 633 O LEU C 48 2.871 14.797 -24.122 1.00 0.00 O ATOM 634 CB LEU C 48 4.414 12.429 -23.772 1.00 0.00 C ATOM 635 CG LEU C 48 5.801 11.840 -24.032 1.00 0.00 C ATOM 636 CD1 LEU C 48 5.661 10.539 -24.824 1.00 0.00 C ATOM 637 CD2 LEU C 48 6.637 12.839 -24.838 1.00 0.00 C ATOM 0 H LEU C 48 5.457 13.475 -20.927 1.00 0.00 H new ATOM 0 HA LEU C 48 5.440 14.197 -23.099 1.00 0.00 H new ATOM 0 HB2 LEU C 48 3.767 11.677 -23.319 1.00 0.00 H new ATOM 0 HB3 LEU C 48 3.950 12.723 -24.713 1.00 0.00 H new ATOM 0 HG LEU C 48 6.294 11.637 -23.081 1.00 0.00 H new ATOM 0 HD11 LEU C 48 6.649 10.118 -25.010 1.00 0.00 H new ATOM 0 HD12 LEU C 48 5.065 9.827 -24.252 1.00 0.00 H new ATOM 0 HD13 LEU C 48 5.169 10.743 -25.775 1.00 0.00 H new ATOM 0 HD21 LEU C 48 7.626 12.420 -25.024 1.00 0.00 H new ATOM 0 HD22 LEU C 48 6.144 13.042 -25.789 1.00 0.00 H new ATOM 0 HD23 LEU C 48 6.736 13.767 -24.276 1.00 0.00 H new ATOM 649 N THR C 49 2.758 15.017 -21.940 1.00 0.00 N ATOM 650 CA THR C 49 1.561 15.897 -22.044 1.00 0.00 C ATOM 651 C THR C 49 1.863 17.243 -21.382 1.00 0.00 C ATOM 652 O THR C 49 1.764 18.285 -21.998 1.00 0.00 O ATOM 653 CB THR C 49 0.378 15.232 -21.336 1.00 0.00 C ATOM 654 OG1 THR C 49 0.235 13.900 -21.808 1.00 0.00 O ATOM 655 CG2 THR C 49 -0.902 16.018 -21.625 1.00 0.00 C ATOM 0 H THR C 49 3.083 14.836 -20.990 1.00 0.00 H new ATOM 0 HA THR C 49 1.313 16.055 -23.093 1.00 0.00 H new ATOM 0 HB THR C 49 0.558 15.221 -20.261 1.00 0.00 H new ATOM 0 HG1 THR C 49 1.021 13.375 -21.550 1.00 0.00 H new ATOM 0 HG21 THR C 49 -1.743 15.543 -21.120 1.00 0.00 H new ATOM 0 HG22 THR C 49 -0.791 17.040 -21.262 1.00 0.00 H new ATOM 0 HG23 THR C 49 -1.085 16.032 -22.699 1.00 0.00 H new ATOM 663 N THR C 50 2.232 17.228 -20.131 1.00 0.00 N ATOM 664 CA THR C 50 2.541 18.507 -19.432 1.00 0.00 C ATOM 665 C THR C 50 3.962 18.946 -19.783 1.00 0.00 C ATOM 666 O THR C 50 4.240 20.119 -19.935 1.00 0.00 O ATOM 667 CB THR C 50 2.428 18.300 -17.919 1.00 0.00 C ATOM 668 OG1 THR C 50 3.175 17.152 -17.544 1.00 0.00 O ATOM 669 CG2 THR C 50 0.961 18.106 -17.538 1.00 0.00 C ATOM 0 H THR C 50 2.333 16.387 -19.563 1.00 0.00 H new ATOM 0 HA THR C 50 1.835 19.276 -19.747 1.00 0.00 H new ATOM 0 HB THR C 50 2.822 19.174 -17.400 1.00 0.00 H new ATOM 0 HG1 THR C 50 3.106 17.018 -16.576 1.00 0.00 H new ATOM 0 HG21 THR C 50 0.881 17.959 -16.461 1.00 0.00 H new ATOM 0 HG22 THR C 50 0.390 18.989 -17.827 1.00 0.00 H new ATOM 0 HG23 THR C 50 0.564 17.232 -18.054 1.00 0.00 H new ATOM 677 N GLY C 51 4.865 18.013 -19.914 1.00 0.00 N ATOM 678 CA GLY C 51 6.269 18.377 -20.255 1.00 0.00 C ATOM 679 C GLY C 51 7.150 18.222 -19.015 1.00 0.00 C ATOM 680 O GLY C 51 8.246 18.743 -18.951 1.00 0.00 O ATOM 0 H GLY C 51 4.691 17.014 -19.800 1.00 0.00 H new ATOM 0 HA2 GLY C 51 6.637 17.738 -21.058 1.00 0.00 H new ATOM 0 HA3 GLY C 51 6.312 19.404 -20.619 1.00 0.00 H new ATOM 684 N GLN C 52 6.681 17.510 -18.028 1.00 0.00 N ATOM 685 CA GLN C 52 7.495 17.322 -16.794 1.00 0.00 C ATOM 686 C GLN C 52 7.907 15.855 -16.671 1.00 0.00 C ATOM 687 O GLN C 52 7.127 14.957 -16.922 1.00 0.00 O ATOM 688 CB GLN C 52 6.668 17.723 -15.571 1.00 0.00 C ATOM 689 CG GLN C 52 6.194 19.170 -15.726 1.00 0.00 C ATOM 690 CD GLN C 52 6.884 20.049 -14.681 1.00 0.00 C ATOM 691 OE1 GLN C 52 6.236 20.807 -13.985 1.00 0.00 O ATOM 692 NE2 GLN C 52 8.179 19.979 -14.538 1.00 0.00 N ATOM 0 H GLN C 52 5.770 17.051 -18.022 1.00 0.00 H new ATOM 0 HA GLN C 52 8.387 17.946 -16.851 1.00 0.00 H new ATOM 0 HB2 GLN C 52 5.811 17.058 -15.465 1.00 0.00 H new ATOM 0 HB3 GLN C 52 7.266 17.620 -14.665 1.00 0.00 H new ATOM 0 HG2 GLN C 52 6.421 19.533 -16.729 1.00 0.00 H new ATOM 0 HG3 GLN C 52 5.112 19.224 -15.605 1.00 0.00 H new ATOM 0 HE21 GLN C 52 8.723 19.343 -15.122 1.00 0.00 H new ATOM 0 HE22 GLN C 52 8.647 20.560 -13.843 1.00 0.00 H new ATOM 701 N THR C 53 9.128 15.605 -16.287 1.00 0.00 N ATOM 702 CA THR C 53 9.593 14.195 -16.148 1.00 0.00 C ATOM 703 C THR C 53 9.108 13.638 -14.807 1.00 0.00 C ATOM 704 O THR C 53 8.789 14.375 -13.895 1.00 0.00 O ATOM 705 CB THR C 53 11.129 14.165 -16.211 1.00 0.00 C ATOM 706 OG1 THR C 53 11.538 14.086 -17.569 1.00 0.00 O ATOM 707 CG2 THR C 53 11.677 12.953 -15.447 1.00 0.00 C ATOM 0 H THR C 53 9.825 16.316 -16.063 1.00 0.00 H new ATOM 0 HA THR C 53 9.190 13.583 -16.955 1.00 0.00 H new ATOM 0 HB THR C 53 11.518 15.074 -15.752 1.00 0.00 H new ATOM 0 HG1 THR C 53 12.517 14.068 -17.615 1.00 0.00 H new ATOM 0 HG21 THR C 53 12.766 12.949 -15.503 1.00 0.00 H new ATOM 0 HG22 THR C 53 11.368 13.011 -14.403 1.00 0.00 H new ATOM 0 HG23 THR C 53 11.288 12.037 -15.891 1.00 0.00 H new ATOM 715 N GLY C 54 9.055 12.341 -14.682 1.00 0.00 N ATOM 716 CA GLY C 54 8.592 11.735 -13.405 1.00 0.00 C ATOM 717 C GLY C 54 8.791 10.219 -13.452 1.00 0.00 C ATOM 718 O GLY C 54 8.322 9.547 -14.350 1.00 0.00 O ATOM 0 H GLY C 54 9.313 11.675 -15.410 1.00 0.00 H new ATOM 0 HA2 GLY C 54 9.147 12.159 -12.568 1.00 0.00 H new ATOM 0 HA3 GLY C 54 7.540 11.969 -13.241 1.00 0.00 H new ATOM 722 N TYR C 55 9.494 9.677 -12.498 1.00 0.00 N ATOM 723 CA TYR C 55 9.723 8.209 -12.485 1.00 0.00 C ATOM 724 C TYR C 55 8.451 7.513 -12.000 1.00 0.00 C ATOM 725 O TYR C 55 7.796 7.968 -11.084 1.00 0.00 O ATOM 726 CB TYR C 55 10.878 7.884 -11.537 1.00 0.00 C ATOM 727 CG TYR C 55 11.890 9.032 -11.540 1.00 0.00 C ATOM 728 CD1 TYR C 55 12.155 9.732 -12.699 1.00 0.00 C ATOM 729 CD2 TYR C 55 12.553 9.384 -10.381 1.00 0.00 C ATOM 730 CE1 TYR C 55 13.068 10.767 -12.700 1.00 0.00 C ATOM 731 CE2 TYR C 55 13.466 10.418 -10.382 1.00 0.00 C ATOM 732 CZ TYR C 55 13.730 11.119 -11.542 1.00 0.00 C ATOM 733 OH TYR C 55 14.642 12.155 -11.541 1.00 0.00 O ATOM 0 H TYR C 55 9.920 10.190 -11.726 1.00 0.00 H new ATOM 0 HA TYR C 55 9.972 7.863 -13.488 1.00 0.00 H new ATOM 0 HB2 TYR C 55 10.498 7.724 -10.528 1.00 0.00 H new ATOM 0 HB3 TYR C 55 11.364 6.958 -11.845 1.00 0.00 H new ATOM 0 HD1 TYR C 55 11.644 9.468 -13.613 1.00 0.00 H new ATOM 0 HD2 TYR C 55 12.355 8.845 -9.466 1.00 0.00 H new ATOM 0 HE1 TYR C 55 13.266 11.306 -13.615 1.00 0.00 H new ATOM 0 HE2 TYR C 55 13.978 10.681 -9.468 1.00 0.00 H new ATOM 0 HH TYR C 55 15.011 12.265 -10.640 1.00 0.00 H new ATOM 743 N ILE C 56 8.092 6.415 -12.605 1.00 0.00 N ATOM 744 CA ILE C 56 6.861 5.699 -12.169 1.00 0.00 C ATOM 745 C ILE C 56 7.227 4.273 -11.744 1.00 0.00 C ATOM 746 O ILE C 56 8.118 3.671 -12.310 1.00 0.00 O ATOM 747 CB ILE C 56 5.850 5.650 -13.323 1.00 0.00 C ATOM 748 CG1 ILE C 56 6.372 4.732 -14.434 1.00 0.00 C ATOM 749 CG2 ILE C 56 5.634 7.063 -13.876 1.00 0.00 C ATOM 750 CD1 ILE C 56 7.447 5.451 -15.253 1.00 0.00 C ATOM 0 H ILE C 56 8.596 5.984 -13.380 1.00 0.00 H new ATOM 0 HA ILE C 56 6.415 6.228 -11.327 1.00 0.00 H new ATOM 0 HB ILE C 56 4.902 5.258 -12.954 1.00 0.00 H new ATOM 0 HG12 ILE C 56 6.784 3.821 -13.999 1.00 0.00 H new ATOM 0 HG13 ILE C 56 5.550 4.432 -15.084 1.00 0.00 H new ATOM 0 HG21 ILE C 56 4.916 7.027 -14.695 1.00 0.00 H new ATOM 0 HG22 ILE C 56 5.251 7.708 -13.086 1.00 0.00 H new ATOM 0 HG23 ILE C 56 6.581 7.460 -14.241 1.00 0.00 H new ATOM 0 HD11 ILE C 56 7.810 4.788 -16.039 1.00 0.00 H new ATOM 0 HD12 ILE C 56 7.022 6.349 -15.703 1.00 0.00 H new ATOM 0 HD13 ILE C 56 8.276 5.729 -14.602 1.00 0.00 H new ATOM 762 N PRO C 57 6.529 3.776 -10.755 1.00 0.00 N ATOM 763 CA PRO C 57 6.767 2.418 -10.236 1.00 0.00 C ATOM 764 C PRO C 57 6.554 1.385 -11.347 1.00 0.00 C ATOM 765 O PRO C 57 5.560 1.407 -12.043 1.00 0.00 O ATOM 766 CB PRO C 57 5.730 2.236 -9.119 1.00 0.00 C ATOM 767 CG PRO C 57 4.909 3.550 -9.018 1.00 0.00 C ATOM 768 CD PRO C 57 5.449 4.521 -10.081 1.00 0.00 C ATOM 0 HA PRO C 57 7.785 2.283 -9.871 1.00 0.00 H new ATOM 0 HB2 PRO C 57 5.076 1.392 -9.338 1.00 0.00 H new ATOM 0 HB3 PRO C 57 6.223 2.019 -8.171 1.00 0.00 H new ATOM 0 HG2 PRO C 57 3.850 3.353 -9.183 1.00 0.00 H new ATOM 0 HG3 PRO C 57 5.001 3.983 -8.022 1.00 0.00 H new ATOM 0 HD2 PRO C 57 4.669 4.811 -10.785 1.00 0.00 H new ATOM 0 HD3 PRO C 57 5.824 5.437 -9.626 1.00 0.00 H new ATOM 776 N SER C 58 7.481 0.481 -11.516 1.00 0.00 N ATOM 777 CA SER C 58 7.331 -0.551 -12.581 1.00 0.00 C ATOM 778 C SER C 58 6.147 -1.460 -12.248 1.00 0.00 C ATOM 779 O SER C 58 5.431 -1.909 -13.122 1.00 0.00 O ATOM 780 CB SER C 58 8.609 -1.389 -12.661 1.00 0.00 C ATOM 781 OG SER C 58 8.442 -2.583 -11.910 1.00 0.00 O ATOM 0 H SER C 58 8.335 0.413 -10.963 1.00 0.00 H new ATOM 0 HA SER C 58 7.155 -0.062 -13.539 1.00 0.00 H new ATOM 0 HB2 SER C 58 8.834 -1.629 -13.700 1.00 0.00 H new ATOM 0 HB3 SER C 58 9.454 -0.820 -12.275 1.00 0.00 H new ATOM 0 HG SER C 58 9.198 -3.183 -12.078 1.00 0.00 H new ATOM 787 N ASN C 59 5.933 -1.736 -10.991 1.00 0.00 N ATOM 788 CA ASN C 59 4.795 -2.616 -10.606 1.00 0.00 C ATOM 789 C ASN C 59 3.477 -1.846 -10.741 1.00 0.00 C ATOM 790 O ASN C 59 2.413 -2.368 -10.475 1.00 0.00 O ATOM 791 CB ASN C 59 4.973 -3.069 -9.157 1.00 0.00 C ATOM 792 CG ASN C 59 4.450 -4.498 -9.002 1.00 0.00 C ATOM 793 OD1 ASN C 59 3.688 -4.970 -9.823 1.00 0.00 O ATOM 794 ND2 ASN C 59 4.830 -5.212 -7.979 1.00 0.00 N ATOM 0 H ASN C 59 6.497 -1.390 -10.215 1.00 0.00 H new ATOM 0 HA ASN C 59 4.773 -3.486 -11.262 1.00 0.00 H new ATOM 0 HB2 ASN C 59 6.025 -3.023 -8.877 1.00 0.00 H new ATOM 0 HB3 ASN C 59 4.435 -2.399 -8.486 1.00 0.00 H new ATOM 0 HD21 ASN C 59 4.488 -6.166 -7.868 1.00 0.00 H new ATOM 0 HD22 ASN C 59 5.469 -4.816 -7.290 1.00 0.00 H new ATOM 801 N TYR C 60 3.537 -0.608 -11.152 1.00 0.00 N ATOM 802 CA TYR C 60 2.287 0.189 -11.302 1.00 0.00 C ATOM 803 C TYR C 60 2.015 0.447 -12.787 1.00 0.00 C ATOM 804 O TYR C 60 0.980 0.969 -13.155 1.00 0.00 O ATOM 805 CB TYR C 60 2.446 1.526 -10.575 1.00 0.00 C ATOM 806 CG TYR C 60 1.827 1.428 -9.178 1.00 0.00 C ATOM 807 CD1 TYR C 60 2.406 0.636 -8.208 1.00 0.00 C ATOM 808 CD2 TYR C 60 0.684 2.137 -8.868 1.00 0.00 C ATOM 809 CE1 TYR C 60 1.851 0.553 -6.947 1.00 0.00 C ATOM 810 CE2 TYR C 60 0.128 2.054 -7.607 1.00 0.00 C ATOM 811 CZ TYR C 60 0.708 1.262 -6.637 1.00 0.00 C ATOM 812 OH TYR C 60 0.154 1.180 -5.376 1.00 0.00 O ATOM 0 H TYR C 60 4.398 -0.115 -11.390 1.00 0.00 H new ATOM 0 HA TYR C 60 1.452 -0.365 -10.872 1.00 0.00 H new ATOM 0 HB2 TYR C 60 3.502 1.787 -10.499 1.00 0.00 H new ATOM 0 HB3 TYR C 60 1.962 2.320 -11.143 1.00 0.00 H new ATOM 0 HD1 TYR C 60 3.301 0.076 -8.437 1.00 0.00 H new ATOM 0 HD2 TYR C 60 0.221 2.762 -9.618 1.00 0.00 H new ATOM 0 HE1 TYR C 60 2.314 -0.071 -6.197 1.00 0.00 H new ATOM 0 HE2 TYR C 60 -0.767 2.613 -7.378 1.00 0.00 H new ATOM 0 HH TYR C 60 -0.340 0.338 -5.290 1.00 0.00 H new ATOM 822 N VAL C 61 2.933 0.086 -13.645 1.00 0.00 N ATOM 823 CA VAL C 61 2.717 0.315 -15.103 1.00 0.00 C ATOM 824 C VAL C 61 3.059 -0.957 -15.877 1.00 0.00 C ATOM 825 O VAL C 61 3.665 -1.873 -15.359 1.00 0.00 O ATOM 826 CB VAL C 61 3.606 1.470 -15.584 1.00 0.00 C ATOM 827 CG1 VAL C 61 5.009 1.329 -14.986 1.00 0.00 C ATOM 828 CG2 VAL C 61 3.707 1.458 -17.113 1.00 0.00 C ATOM 0 H VAL C 61 3.819 -0.356 -13.400 1.00 0.00 H new ATOM 0 HA VAL C 61 1.672 0.572 -15.277 1.00 0.00 H new ATOM 0 HB VAL C 61 3.162 2.411 -15.260 1.00 0.00 H new ATOM 0 HG11 VAL C 61 5.636 2.151 -15.331 1.00 0.00 H new ATOM 0 HG12 VAL C 61 4.945 1.353 -13.898 1.00 0.00 H new ATOM 0 HG13 VAL C 61 5.446 0.382 -15.303 1.00 0.00 H new ATOM 0 HG21 VAL C 61 4.340 2.282 -17.442 1.00 0.00 H new ATOM 0 HG22 VAL C 61 4.141 0.513 -17.442 1.00 0.00 H new ATOM 0 HG23 VAL C 61 2.712 1.570 -17.544 1.00 0.00 H new ATOM 838 N ALA C 62 2.671 -1.013 -17.119 1.00 0.00 N ATOM 839 CA ALA C 62 2.965 -2.220 -17.942 1.00 0.00 C ATOM 840 C ALA C 62 2.990 -1.834 -19.424 1.00 0.00 C ATOM 841 O ALA C 62 2.291 -0.930 -19.838 1.00 0.00 O ATOM 842 CB ALA C 62 1.880 -3.273 -17.707 1.00 0.00 C ATOM 0 H ALA C 62 2.161 -0.273 -17.602 1.00 0.00 H new ATOM 0 HA ALA C 62 3.935 -2.627 -17.657 1.00 0.00 H new ATOM 0 HB1 ALA C 62 2.094 -4.156 -18.309 1.00 0.00 H new ATOM 0 HB2 ALA C 62 1.862 -3.548 -16.652 1.00 0.00 H new ATOM 0 HB3 ALA C 62 0.910 -2.866 -17.992 1.00 0.00 H new ATOM 848 N PRO C 63 3.799 -2.535 -20.179 1.00 0.00 N ATOM 849 CA PRO C 63 3.935 -2.284 -21.625 1.00 0.00 C ATOM 850 C PRO C 63 2.590 -2.491 -22.328 1.00 0.00 C ATOM 851 O PRO C 63 2.190 -3.603 -22.610 1.00 0.00 O ATOM 852 CB PRO C 63 4.962 -3.319 -22.108 1.00 0.00 C ATOM 853 CG PRO C 63 5.409 -4.149 -20.876 1.00 0.00 C ATOM 854 CD PRO C 63 4.637 -3.628 -19.654 1.00 0.00 C ATOM 0 HA PRO C 63 4.250 -1.263 -21.841 1.00 0.00 H new ATOM 0 HB2 PRO C 63 4.524 -3.967 -22.867 1.00 0.00 H new ATOM 0 HB3 PRO C 63 5.818 -2.824 -22.567 1.00 0.00 H new ATOM 0 HG2 PRO C 63 5.204 -5.208 -21.034 1.00 0.00 H new ATOM 0 HG3 PRO C 63 6.483 -4.052 -20.719 1.00 0.00 H new ATOM 0 HD2 PRO C 63 4.028 -4.413 -19.206 1.00 0.00 H new ATOM 0 HD3 PRO C 63 5.316 -3.270 -18.880 1.00 0.00 H new ATOM 862 N SER C 64 1.891 -1.426 -22.612 1.00 0.00 N ATOM 863 CA SER C 64 0.573 -1.560 -23.295 1.00 0.00 C ATOM 864 C SER C 64 -0.291 -2.573 -22.541 1.00 0.00 C ATOM 865 O SER C 64 -0.181 -2.630 -21.329 1.00 0.00 O ATOM 866 CB SER C 64 0.789 -2.043 -24.731 1.00 0.00 C ATOM 867 OG SER C 64 -0.470 -2.246 -25.356 1.00 0.00 O ATOM 868 OXT SER C 64 -1.050 -3.275 -23.191 1.00 0.00 O ATOM 0 H SER C 64 2.175 -0.470 -22.401 1.00 0.00 H new ATOM 0 HA SER C 64 0.071 -0.593 -23.309 1.00 0.00 H new ATOM 0 HB2 SER C 64 1.370 -1.309 -25.289 1.00 0.00 H new ATOM 0 HB3 SER C 64 1.361 -2.971 -24.732 1.00 0.00 H new ATOM 0 HG SER C 64 -1.003 -2.871 -24.822 1.00 0.00 H new ATOM 875 N ARG R 71 13.961 3.960 -1.727 1.00 0.00 N ATOM 876 CA ARG R 71 12.706 3.926 -2.529 1.00 0.00 C ATOM 877 C ARG R 71 11.907 2.667 -2.179 1.00 0.00 C ATOM 878 O ARG R 71 12.424 1.568 -2.195 1.00 0.00 O ATOM 879 CB ARG R 71 13.052 3.910 -4.019 1.00 0.00 C ATOM 880 CG ARG R 71 11.997 4.700 -4.797 1.00 0.00 C ATOM 881 CD ARG R 71 12.259 6.199 -4.639 1.00 0.00 C ATOM 882 NE ARG R 71 13.208 6.654 -5.695 1.00 0.00 N ATOM 883 CZ ARG R 71 12.794 6.820 -6.922 1.00 0.00 C ATOM 884 NH1 ARG R 71 11.547 6.585 -7.233 1.00 0.00 N ATOM 885 NH2 ARG R 71 13.628 7.221 -7.843 1.00 0.00 N ATOM 0 HA ARG R 71 12.109 4.810 -2.303 1.00 0.00 H new ATOM 0 HB2 ARG R 71 14.038 4.345 -4.179 1.00 0.00 H new ATOM 0 HB3 ARG R 71 13.094 2.883 -4.382 1.00 0.00 H new ATOM 0 HG2 ARG R 71 12.026 4.425 -5.851 1.00 0.00 H new ATOM 0 HG3 ARG R 71 11.000 4.454 -4.431 1.00 0.00 H new ATOM 0 HD2 ARG R 71 11.323 6.752 -4.714 1.00 0.00 H new ATOM 0 HD3 ARG R 71 12.672 6.404 -3.651 1.00 0.00 H new ATOM 0 HE ARG R 71 14.183 6.836 -5.458 1.00 0.00 H new ATOM 0 HH11 ARG R 71 10.893 6.271 -6.516 1.00 0.00 H new ATOM 0 HH12 ARG R 71 11.227 6.716 -8.193 1.00 0.00 H new ATOM 0 HH21 ARG R 71 14.602 7.404 -7.604 1.00 0.00 H new ATOM 0 HH22 ARG R 71 13.305 7.351 -8.802 1.00 0.00 H new ATOM 901 N ALA R 72 10.651 2.821 -1.862 1.00 0.00 N ATOM 902 CA ALA R 72 9.820 1.635 -1.510 1.00 0.00 C ATOM 903 C ALA R 72 8.602 1.576 -2.437 1.00 0.00 C ATOM 904 O ALA R 72 7.928 2.563 -2.655 1.00 0.00 O ATOM 905 CB ALA R 72 9.351 1.751 -0.058 1.00 0.00 C ATOM 0 H ALA R 72 10.164 3.717 -1.831 1.00 0.00 H new ATOM 0 HA ALA R 72 10.413 0.728 -1.627 1.00 0.00 H new ATOM 0 HB1 ALA R 72 8.743 0.883 0.199 1.00 0.00 H new ATOM 0 HB2 ALA R 72 10.217 1.795 0.602 1.00 0.00 H new ATOM 0 HB3 ALA R 72 8.758 2.658 0.061 1.00 0.00 H new ATOM 911 N LEU R 73 8.314 0.426 -2.983 1.00 0.00 N ATOM 912 CA LEU R 73 7.139 0.308 -3.893 1.00 0.00 C ATOM 913 C LEU R 73 5.863 0.674 -3.125 1.00 0.00 C ATOM 914 O LEU R 73 5.716 0.320 -1.972 1.00 0.00 O ATOM 915 CB LEU R 73 7.034 -1.133 -4.404 1.00 0.00 C ATOM 916 CG LEU R 73 7.516 -1.223 -5.861 1.00 0.00 C ATOM 917 CD1 LEU R 73 6.383 -0.812 -6.801 1.00 0.00 C ATOM 918 CD2 LEU R 73 8.719 -0.299 -6.076 1.00 0.00 C ATOM 0 H LEU R 73 8.840 -0.436 -2.839 1.00 0.00 H new ATOM 0 HA LEU R 73 7.261 0.985 -4.739 1.00 0.00 H new ATOM 0 HB2 LEU R 73 7.632 -1.793 -3.775 1.00 0.00 H new ATOM 0 HB3 LEU R 73 6.002 -1.476 -4.334 1.00 0.00 H new ATOM 0 HG LEU R 73 7.813 -2.250 -6.073 1.00 0.00 H new ATOM 0 HD11 LEU R 73 6.726 -0.876 -7.834 1.00 0.00 H new ATOM 0 HD12 LEU R 73 5.532 -1.479 -6.659 1.00 0.00 H new ATOM 0 HD13 LEU R 73 6.082 0.212 -6.582 1.00 0.00 H new ATOM 0 HD21 LEU R 73 9.052 -0.371 -7.111 1.00 0.00 H new ATOM 0 HD22 LEU R 73 8.431 0.729 -5.858 1.00 0.00 H new ATOM 0 HD23 LEU R 73 9.530 -0.598 -5.412 1.00 0.00 H new ATOM 930 N PRO R 74 4.976 1.373 -3.789 1.00 0.00 N ATOM 931 CA PRO R 74 3.701 1.801 -3.186 1.00 0.00 C ATOM 932 C PRO R 74 2.819 0.581 -2.889 1.00 0.00 C ATOM 933 O PRO R 74 3.050 -0.490 -3.416 1.00 0.00 O ATOM 934 CB PRO R 74 3.045 2.689 -4.244 1.00 0.00 C ATOM 935 CG PRO R 74 3.939 2.654 -5.511 1.00 0.00 C ATOM 936 CD PRO R 74 5.173 1.798 -5.185 1.00 0.00 C ATOM 0 HA PRO R 74 3.845 2.326 -2.242 1.00 0.00 H new ATOM 0 HB2 PRO R 74 2.041 2.331 -4.474 1.00 0.00 H new ATOM 0 HB3 PRO R 74 2.943 3.710 -3.876 1.00 0.00 H new ATOM 0 HG2 PRO R 74 3.392 2.232 -6.354 1.00 0.00 H new ATOM 0 HG3 PRO R 74 4.237 3.663 -5.797 1.00 0.00 H new ATOM 0 HD2 PRO R 74 5.247 0.940 -5.853 1.00 0.00 H new ATOM 0 HD3 PRO R 74 6.093 2.371 -5.298 1.00 0.00 H new ATOM 944 N PRO R 75 1.834 0.785 -2.052 1.00 0.00 N ATOM 945 CA PRO R 75 0.899 -0.286 -1.665 1.00 0.00 C ATOM 946 C PRO R 75 0.150 -0.805 -2.897 1.00 0.00 C ATOM 947 O PRO R 75 -0.803 -0.206 -3.353 1.00 0.00 O ATOM 948 CB PRO R 75 -0.074 0.378 -0.680 1.00 0.00 C ATOM 949 CG PRO R 75 0.357 1.859 -0.518 1.00 0.00 C ATOM 950 CD PRO R 75 1.578 2.092 -1.422 1.00 0.00 C ATOM 0 HA PRO R 75 1.408 -1.142 -1.222 1.00 0.00 H new ATOM 0 HB2 PRO R 75 -1.097 0.316 -1.052 1.00 0.00 H new ATOM 0 HB3 PRO R 75 -0.053 -0.134 0.282 1.00 0.00 H new ATOM 0 HG2 PRO R 75 -0.458 2.527 -0.796 1.00 0.00 H new ATOM 0 HG3 PRO R 75 0.604 2.074 0.522 1.00 0.00 H new ATOM 0 HD2 PRO R 75 1.376 2.859 -2.170 1.00 0.00 H new ATOM 0 HD3 PRO R 75 2.439 2.429 -0.845 1.00 0.00 H new ATOM 958 N LEU R 76 0.574 -1.915 -3.437 1.00 0.00 N ATOM 959 CA LEU R 76 -0.112 -2.469 -4.638 1.00 0.00 C ATOM 960 C LEU R 76 -1.386 -3.202 -4.204 1.00 0.00 C ATOM 961 O LEU R 76 -1.513 -3.597 -3.062 1.00 0.00 O ATOM 962 CB LEU R 76 0.820 -3.449 -5.352 1.00 0.00 C ATOM 963 CG LEU R 76 1.955 -2.675 -6.025 1.00 0.00 C ATOM 964 CD1 LEU R 76 3.192 -3.570 -6.124 1.00 0.00 C ATOM 965 CD2 LEU R 76 1.518 -2.247 -7.427 1.00 0.00 C ATOM 0 H LEU R 76 1.366 -2.462 -3.098 1.00 0.00 H new ATOM 0 HA LEU R 76 -0.372 -1.656 -5.315 1.00 0.00 H new ATOM 0 HB2 LEU R 76 1.227 -4.166 -4.639 1.00 0.00 H new ATOM 0 HB3 LEU R 76 0.264 -4.020 -6.096 1.00 0.00 H new ATOM 0 HG LEU R 76 2.194 -1.790 -5.435 1.00 0.00 H new ATOM 0 HD11 LEU R 76 4.002 -3.020 -6.603 1.00 0.00 H new ATOM 0 HD12 LEU R 76 3.502 -3.874 -5.124 1.00 0.00 H new ATOM 0 HD13 LEU R 76 2.955 -4.455 -6.715 1.00 0.00 H new ATOM 0 HD21 LEU R 76 2.326 -1.695 -7.907 1.00 0.00 H new ATOM 0 HD22 LEU R 76 1.279 -3.130 -8.019 1.00 0.00 H new ATOM 0 HD23 LEU R 76 0.637 -1.610 -7.355 1.00 0.00 H new