USER MOD reduce.3.24.130724 H: found=0, std=0, add=498, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 501 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 18 SER OG : rot 177:sc= 0.757 USER MOD Set 1.2: C 25 SER OG : rot 57:sc= 0.682 USER MOD Single : C 9 THR OG1 : rot 13:sc= 0.693 USER MOD Single : C 14 TYR OH : rot 180:sc= 0 USER MOD Single : C 16 TYR OH : rot 95:sc= -1.53 USER MOD Single : C 20 THR OG1 : rot 180:sc= -0.147 USER MOD Single : C 22 THR OG1 : rot 180:sc= -1.81 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 X(o=0,f=0) USER MOD Single : C 36 ASN : amide:sc= 0 X(o=0,f=-0.17) USER MOD Single : C 37 ASN : amide:sc= -0.781 K(o=-0.78,f=-5.7!) USER MOD Single : C 38 THR OG1 : rot 180:sc=-0.00225 USER MOD Single : C 46 HIS : no HD1:sc= -6.86! C(o=-6.9!,f=-6.1!) USER MOD Single : C 47 SER OG : rot 180:sc= 0 USER MOD Single : C 49 THR OG1 : rot 180:sc= 0.0611 USER MOD Single : C 50 THR OG1 : rot 180:sc= 0 USER MOD Single : C 52 GLN : amide:sc= -0.392 X(o=-0.39,f=-0.028) USER MOD Single : C 53 THR OG1 : rot 170:sc= 0 USER MOD Single : C 55 TYR OH : rot 180:sc= 0 USER MOD Single : C 58 SER OG : rot 180:sc= -0.128 USER MOD Single : C 59 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : C 60 TYR OH : rot -11:sc= -0.796! USER MOD Single : C 64 SER OG : rot 180:sc= -0.0209 USER MOD ----------------------------------------------------------------- ATOM 1 N THR C 9 15.035 28.434 -7.621 1.00 0.00 N ATOM 2 CA THR C 9 14.830 29.128 -6.319 1.00 0.00 C ATOM 3 C THR C 9 13.823 28.342 -5.476 1.00 0.00 C ATOM 4 O THR C 9 12.831 28.875 -5.019 1.00 0.00 O ATOM 5 CB THR C 9 14.293 30.539 -6.570 1.00 0.00 C ATOM 6 OG1 THR C 9 14.789 31.017 -7.813 1.00 0.00 O ATOM 7 CG2 THR C 9 14.747 31.468 -5.445 1.00 0.00 C ATOM 0 HA THR C 9 15.780 29.191 -5.788 1.00 0.00 H new ATOM 0 HB THR C 9 13.204 30.515 -6.598 1.00 0.00 H new ATOM 0 HG1 THR C 9 15.183 30.274 -8.316 1.00 0.00 H new ATOM 0 HG21 THR C 9 14.364 32.472 -5.625 1.00 0.00 H new ATOM 0 HG22 THR C 9 14.366 31.100 -4.493 1.00 0.00 H new ATOM 0 HG23 THR C 9 15.836 31.496 -5.413 1.00 0.00 H new ATOM 15 N PHE C 10 14.069 27.078 -5.265 1.00 0.00 N ATOM 16 CA PHE C 10 13.126 26.261 -4.452 1.00 0.00 C ATOM 17 C PHE C 10 13.463 26.421 -2.968 1.00 0.00 C ATOM 18 O PHE C 10 14.555 26.813 -2.608 1.00 0.00 O ATOM 19 CB PHE C 10 13.254 24.789 -4.850 1.00 0.00 C ATOM 20 CG PHE C 10 12.274 24.481 -5.985 1.00 0.00 C ATOM 21 CD1 PHE C 10 11.878 25.478 -6.860 1.00 0.00 C ATOM 22 CD2 PHE C 10 11.772 23.203 -6.152 1.00 0.00 C ATOM 23 CE1 PHE C 10 10.993 25.200 -7.882 1.00 0.00 C ATOM 24 CE2 PHE C 10 10.887 22.926 -7.174 1.00 0.00 C ATOM 25 CZ PHE C 10 10.499 23.925 -8.039 1.00 0.00 C ATOM 0 H PHE C 10 14.883 26.576 -5.621 1.00 0.00 H new ATOM 0 HA PHE C 10 12.105 26.598 -4.631 1.00 0.00 H new ATOM 0 HB2 PHE C 10 14.274 24.574 -5.168 1.00 0.00 H new ATOM 0 HB3 PHE C 10 13.046 24.150 -3.992 1.00 0.00 H new ATOM 0 HD1 PHE C 10 12.264 26.480 -6.742 1.00 0.00 H new ATOM 0 HD2 PHE C 10 12.075 22.416 -5.477 1.00 0.00 H new ATOM 0 HE1 PHE C 10 10.688 25.984 -8.559 1.00 0.00 H new ATOM 0 HE2 PHE C 10 10.499 21.926 -7.296 1.00 0.00 H new ATOM 0 HZ PHE C 10 9.808 23.708 -8.840 1.00 0.00 H new ATOM 35 N VAL C 11 12.533 26.120 -2.102 1.00 0.00 N ATOM 36 CA VAL C 11 12.802 26.256 -0.643 1.00 0.00 C ATOM 37 C VAL C 11 12.768 24.875 0.016 1.00 0.00 C ATOM 38 O VAL C 11 12.172 23.948 -0.495 1.00 0.00 O ATOM 39 CB VAL C 11 11.734 27.151 -0.011 1.00 0.00 C ATOM 40 CG1 VAL C 11 12.299 27.809 1.249 1.00 0.00 C ATOM 41 CG2 VAL C 11 11.321 28.234 -1.010 1.00 0.00 C ATOM 0 H VAL C 11 11.600 25.786 -2.342 1.00 0.00 H new ATOM 0 HA VAL C 11 13.785 26.702 -0.495 1.00 0.00 H new ATOM 0 HB VAL C 11 10.865 26.548 0.253 1.00 0.00 H new ATOM 0 HG11 VAL C 11 11.538 28.447 1.699 1.00 0.00 H new ATOM 0 HG12 VAL C 11 12.594 27.038 1.961 1.00 0.00 H new ATOM 0 HG13 VAL C 11 13.168 28.412 0.986 1.00 0.00 H new ATOM 0 HG21 VAL C 11 10.560 28.872 -0.561 1.00 0.00 H new ATOM 0 HG22 VAL C 11 12.190 28.836 -1.274 1.00 0.00 H new ATOM 0 HG23 VAL C 11 10.918 27.766 -1.908 1.00 0.00 H new ATOM 51 N ALA C 12 13.403 24.731 1.148 1.00 0.00 N ATOM 52 CA ALA C 12 13.407 23.410 1.837 1.00 0.00 C ATOM 53 C ALA C 12 12.205 23.321 2.781 1.00 0.00 C ATOM 54 O ALA C 12 12.179 23.933 3.830 1.00 0.00 O ATOM 55 CB ALA C 12 14.700 23.258 2.642 1.00 0.00 C ATOM 0 H ALA C 12 13.919 25.471 1.625 1.00 0.00 H new ATOM 0 HA ALA C 12 13.345 22.614 1.095 1.00 0.00 H new ATOM 0 HB1 ALA C 12 14.703 22.292 3.146 1.00 0.00 H new ATOM 0 HB2 ALA C 12 15.556 23.320 1.970 1.00 0.00 H new ATOM 0 HB3 ALA C 12 14.763 24.054 3.384 1.00 0.00 H new ATOM 61 N LEU C 13 11.211 22.561 2.415 1.00 0.00 N ATOM 62 CA LEU C 13 10.008 22.427 3.286 1.00 0.00 C ATOM 63 C LEU C 13 10.290 21.420 4.401 1.00 0.00 C ATOM 64 O LEU C 13 9.827 21.567 5.514 1.00 0.00 O ATOM 65 CB LEU C 13 8.826 21.939 2.448 1.00 0.00 C ATOM 66 CG LEU C 13 8.264 23.103 1.630 1.00 0.00 C ATOM 67 CD1 LEU C 13 7.202 22.579 0.661 1.00 0.00 C ATOM 68 CD2 LEU C 13 7.633 24.131 2.573 1.00 0.00 C ATOM 0 H LEU C 13 11.179 22.025 1.548 1.00 0.00 H new ATOM 0 HA LEU C 13 9.770 23.396 3.725 1.00 0.00 H new ATOM 0 HB2 LEU C 13 9.145 21.135 1.785 1.00 0.00 H new ATOM 0 HB3 LEU C 13 8.052 21.529 3.096 1.00 0.00 H new ATOM 0 HG LEU C 13 9.069 23.574 1.066 1.00 0.00 H new ATOM 0 HD11 LEU C 13 6.801 23.408 0.078 1.00 0.00 H new ATOM 0 HD12 LEU C 13 7.651 21.847 -0.010 1.00 0.00 H new ATOM 0 HD13 LEU C 13 6.396 22.108 1.224 1.00 0.00 H new ATOM 0 HD21 LEU C 13 7.232 24.961 1.991 1.00 0.00 H new ATOM 0 HD22 LEU C 13 6.827 23.661 3.137 1.00 0.00 H new ATOM 0 HD23 LEU C 13 8.390 24.504 3.263 1.00 0.00 H new ATOM 80 N TYR C 14 11.045 20.393 4.112 1.00 0.00 N ATOM 81 CA TYR C 14 11.347 19.382 5.161 1.00 0.00 C ATOM 82 C TYR C 14 12.861 19.204 5.291 1.00 0.00 C ATOM 83 O TYR C 14 13.601 19.389 4.346 1.00 0.00 O ATOM 84 CB TYR C 14 10.706 18.048 4.779 1.00 0.00 C ATOM 85 CG TYR C 14 9.187 18.198 4.827 1.00 0.00 C ATOM 86 CD1 TYR C 14 8.554 19.126 4.029 1.00 0.00 C ATOM 87 CD2 TYR C 14 8.432 17.425 5.682 1.00 0.00 C ATOM 88 CE1 TYR C 14 7.187 19.283 4.085 1.00 0.00 C ATOM 89 CE2 TYR C 14 7.061 17.579 5.738 1.00 0.00 C ATOM 90 CZ TYR C 14 6.427 18.509 4.939 1.00 0.00 C ATOM 91 OH TYR C 14 5.057 18.664 4.994 1.00 0.00 O ATOM 0 H TYR C 14 11.463 20.213 3.199 1.00 0.00 H new ATOM 0 HA TYR C 14 10.944 19.722 6.115 1.00 0.00 H new ATOM 0 HB2 TYR C 14 11.024 17.749 3.780 1.00 0.00 H new ATOM 0 HB3 TYR C 14 11.029 17.264 5.464 1.00 0.00 H new ATOM 0 HD1 TYR C 14 9.135 19.736 3.353 1.00 0.00 H new ATOM 0 HD2 TYR C 14 8.916 16.694 6.313 1.00 0.00 H new ATOM 0 HE1 TYR C 14 6.706 20.017 3.456 1.00 0.00 H new ATOM 0 HE2 TYR C 14 6.480 16.967 6.412 1.00 0.00 H new ATOM 0 HH TYR C 14 4.683 18.037 5.648 1.00 0.00 H new ATOM 101 N ASP C 15 13.327 18.847 6.457 1.00 0.00 N ATOM 102 CA ASP C 15 14.791 18.658 6.646 1.00 0.00 C ATOM 103 C ASP C 15 15.253 17.452 5.825 1.00 0.00 C ATOM 104 O ASP C 15 14.587 16.438 5.767 1.00 0.00 O ATOM 105 CB ASP C 15 15.087 18.411 8.126 1.00 0.00 C ATOM 106 CG ASP C 15 14.570 19.590 8.955 1.00 0.00 C ATOM 107 OD1 ASP C 15 13.483 20.060 8.665 1.00 0.00 O ATOM 108 OD2 ASP C 15 15.271 20.002 9.864 1.00 0.00 O ATOM 0 H ASP C 15 12.756 18.678 7.286 1.00 0.00 H new ATOM 0 HA ASP C 15 15.321 19.551 6.316 1.00 0.00 H new ATOM 0 HB2 ASP C 15 14.611 17.486 8.453 1.00 0.00 H new ATOM 0 HB3 ASP C 15 16.159 18.289 8.278 1.00 0.00 H new ATOM 113 N TYR C 16 16.389 17.552 5.188 1.00 0.00 N ATOM 114 CA TYR C 16 16.885 16.407 4.374 1.00 0.00 C ATOM 115 C TYR C 16 18.304 16.037 4.812 1.00 0.00 C ATOM 116 O TYR C 16 19.267 16.677 4.438 1.00 0.00 O ATOM 117 CB TYR C 16 16.896 16.802 2.895 1.00 0.00 C ATOM 118 CG TYR C 16 17.385 15.622 2.052 1.00 0.00 C ATOM 119 CD1 TYR C 16 17.145 14.322 2.454 1.00 0.00 C ATOM 120 CD2 TYR C 16 18.073 15.840 0.876 1.00 0.00 C ATOM 121 CE1 TYR C 16 17.587 13.260 1.692 1.00 0.00 C ATOM 122 CE2 TYR C 16 18.513 14.779 0.113 1.00 0.00 C ATOM 123 CZ TYR C 16 18.274 13.481 0.515 1.00 0.00 C ATOM 124 OH TYR C 16 18.716 12.419 -0.248 1.00 0.00 O ATOM 0 H TYR C 16 16.992 18.374 5.196 1.00 0.00 H new ATOM 0 HA TYR C 16 16.228 15.550 4.520 1.00 0.00 H new ATOM 0 HB2 TYR C 16 15.895 17.097 2.580 1.00 0.00 H new ATOM 0 HB3 TYR C 16 17.545 17.664 2.743 1.00 0.00 H new ATOM 0 HD1 TYR C 16 16.607 14.136 3.372 1.00 0.00 H new ATOM 0 HD2 TYR C 16 18.269 16.851 0.550 1.00 0.00 H new ATOM 0 HE1 TYR C 16 17.394 12.249 2.019 1.00 0.00 H new ATOM 0 HE2 TYR C 16 19.049 14.965 -0.806 1.00 0.00 H new ATOM 0 HH TYR C 16 18.057 12.220 -0.945 1.00 0.00 H new ATOM 134 N GLU C 17 18.439 15.008 5.603 1.00 0.00 N ATOM 135 CA GLU C 17 19.794 14.595 6.068 1.00 0.00 C ATOM 136 C GLU C 17 20.202 13.305 5.352 1.00 0.00 C ATOM 137 O GLU C 17 20.280 12.250 5.949 1.00 0.00 O ATOM 138 CB GLU C 17 19.764 14.353 7.579 1.00 0.00 C ATOM 139 CG GLU C 17 21.176 14.503 8.148 1.00 0.00 C ATOM 140 CD GLU C 17 21.137 14.330 9.668 1.00 0.00 C ATOM 141 OE1 GLU C 17 20.247 14.892 10.286 1.00 0.00 O ATOM 142 OE2 GLU C 17 21.995 13.637 10.189 1.00 0.00 O ATOM 0 H GLU C 17 17.669 14.435 5.948 1.00 0.00 H new ATOM 0 HA GLU C 17 20.514 15.382 5.842 1.00 0.00 H new ATOM 0 HB2 GLU C 17 19.090 15.063 8.058 1.00 0.00 H new ATOM 0 HB3 GLU C 17 19.379 13.355 7.791 1.00 0.00 H new ATOM 0 HG2 GLU C 17 21.839 13.760 7.704 1.00 0.00 H new ATOM 0 HG3 GLU C 17 21.580 15.483 7.893 1.00 0.00 H new ATOM 149 N SER C 18 20.464 13.384 4.076 1.00 0.00 N ATOM 150 CA SER C 18 20.867 12.167 3.319 1.00 0.00 C ATOM 151 C SER C 18 21.950 11.413 4.094 1.00 0.00 C ATOM 152 O SER C 18 22.700 11.992 4.854 1.00 0.00 O ATOM 153 CB SER C 18 21.416 12.579 1.951 1.00 0.00 C ATOM 154 OG SER C 18 21.805 13.943 1.989 1.00 0.00 O ATOM 0 H SER C 18 20.416 14.241 3.525 1.00 0.00 H new ATOM 0 HA SER C 18 20.000 11.520 3.187 1.00 0.00 H new ATOM 0 HB2 SER C 18 22.269 11.954 1.686 1.00 0.00 H new ATOM 0 HB3 SER C 18 20.658 12.427 1.182 1.00 0.00 H new ATOM 0 HG SER C 18 22.196 14.196 1.127 1.00 0.00 H new ATOM 160 N ARG C 19 22.036 10.123 3.908 1.00 0.00 N ATOM 161 CA ARG C 19 23.069 9.332 4.633 1.00 0.00 C ATOM 162 C ARG C 19 24.351 9.292 3.799 1.00 0.00 C ATOM 163 O ARG C 19 25.447 9.296 4.323 1.00 0.00 O ATOM 164 CB ARG C 19 22.559 7.907 4.857 1.00 0.00 C ATOM 165 CG ARG C 19 21.041 7.933 5.056 1.00 0.00 C ATOM 166 CD ARG C 19 20.614 6.713 5.877 1.00 0.00 C ATOM 167 NE ARG C 19 21.340 5.507 5.390 1.00 0.00 N ATOM 168 CZ ARG C 19 20.986 4.936 4.269 1.00 0.00 C ATOM 169 NH1 ARG C 19 19.994 5.419 3.571 1.00 0.00 N ATOM 170 NH2 ARG C 19 21.626 3.880 3.847 1.00 0.00 N ATOM 0 H ARG C 19 21.435 9.584 3.285 1.00 0.00 H new ATOM 0 HA ARG C 19 23.275 9.796 5.597 1.00 0.00 H new ATOM 0 HB2 ARG C 19 22.814 7.280 4.003 1.00 0.00 H new ATOM 0 HB3 ARG C 19 23.043 7.469 5.730 1.00 0.00 H new ATOM 0 HG2 ARG C 19 20.746 8.850 5.566 1.00 0.00 H new ATOM 0 HG3 ARG C 19 20.536 7.929 4.090 1.00 0.00 H new ATOM 0 HD2 ARG C 19 20.829 6.878 6.933 1.00 0.00 H new ATOM 0 HD3 ARG C 19 19.538 6.562 5.791 1.00 0.00 H new ATOM 0 HE ARG C 19 22.115 5.126 5.933 1.00 0.00 H new ATOM 0 HH11 ARG C 19 19.493 6.244 3.900 1.00 0.00 H new ATOM 0 HH12 ARG C 19 19.720 4.971 2.696 1.00 0.00 H new ATOM 0 HH21 ARG C 19 22.401 3.502 4.392 1.00 0.00 H new ATOM 0 HH22 ARG C 19 21.351 3.433 2.972 1.00 0.00 H new ATOM 184 N THR C 20 24.218 9.253 2.503 1.00 0.00 N ATOM 185 CA THR C 20 25.424 9.213 1.627 1.00 0.00 C ATOM 186 C THR C 20 25.512 10.518 0.835 1.00 0.00 C ATOM 187 O THR C 20 24.672 11.386 0.959 1.00 0.00 O ATOM 188 CB THR C 20 25.310 8.033 0.656 1.00 0.00 C ATOM 189 OG1 THR C 20 26.461 7.993 -0.175 1.00 0.00 O ATOM 190 CG2 THR C 20 24.059 8.201 -0.208 1.00 0.00 C ATOM 0 H THR C 20 23.325 9.247 2.011 1.00 0.00 H new ATOM 0 HA THR C 20 26.319 9.094 2.238 1.00 0.00 H new ATOM 0 HB THR C 20 25.237 7.103 1.220 1.00 0.00 H new ATOM 0 HG1 THR C 20 26.390 7.238 -0.795 1.00 0.00 H new ATOM 0 HG21 THR C 20 23.978 7.362 -0.899 1.00 0.00 H new ATOM 0 HG22 THR C 20 23.177 8.231 0.431 1.00 0.00 H new ATOM 0 HG23 THR C 20 24.129 9.130 -0.773 1.00 0.00 H new ATOM 198 N GLU C 21 26.522 10.668 0.021 1.00 0.00 N ATOM 199 CA GLU C 21 26.650 11.920 -0.771 1.00 0.00 C ATOM 200 C GLU C 21 25.534 11.964 -1.820 1.00 0.00 C ATOM 201 O GLU C 21 24.403 12.273 -1.507 1.00 0.00 O ATOM 202 CB GLU C 21 28.020 11.953 -1.455 1.00 0.00 C ATOM 203 CG GLU C 21 29.035 12.631 -0.535 1.00 0.00 C ATOM 204 CD GLU C 21 28.932 12.031 0.869 1.00 0.00 C ATOM 205 OE1 GLU C 21 29.351 10.898 1.039 1.00 0.00 O ATOM 206 OE2 GLU C 21 28.437 12.716 1.749 1.00 0.00 O ATOM 0 H GLU C 21 27.260 9.980 -0.128 1.00 0.00 H new ATOM 0 HA GLU C 21 26.562 12.787 -0.116 1.00 0.00 H new ATOM 0 HB2 GLU C 21 28.346 10.939 -1.689 1.00 0.00 H new ATOM 0 HB3 GLU C 21 27.953 12.492 -2.400 1.00 0.00 H new ATOM 0 HG2 GLU C 21 30.043 12.496 -0.926 1.00 0.00 H new ATOM 0 HG3 GLU C 21 28.848 13.704 -0.498 1.00 0.00 H new ATOM 213 N THR C 22 25.841 11.641 -3.055 1.00 0.00 N ATOM 214 CA THR C 22 24.801 11.660 -4.131 1.00 0.00 C ATOM 215 C THR C 22 23.817 12.812 -3.897 1.00 0.00 C ATOM 216 O THR C 22 24.042 13.929 -4.319 1.00 0.00 O ATOM 217 CB THR C 22 24.043 10.331 -4.129 1.00 0.00 C ATOM 218 OG1 THR C 22 24.196 9.703 -2.863 1.00 0.00 O ATOM 219 CG2 THR C 22 24.605 9.420 -5.222 1.00 0.00 C ATOM 0 H THR C 22 26.773 11.364 -3.364 1.00 0.00 H new ATOM 0 HA THR C 22 25.289 11.803 -5.095 1.00 0.00 H new ATOM 0 HB THR C 22 22.986 10.515 -4.320 1.00 0.00 H new ATOM 0 HG1 THR C 22 23.710 8.852 -2.859 1.00 0.00 H new ATOM 0 HG21 THR C 22 24.065 8.473 -5.220 1.00 0.00 H new ATOM 0 HG22 THR C 22 24.489 9.902 -6.193 1.00 0.00 H new ATOM 0 HG23 THR C 22 25.662 9.235 -5.033 1.00 0.00 H new ATOM 227 N ASP C 23 22.730 12.549 -3.224 1.00 0.00 N ATOM 228 CA ASP C 23 21.732 13.624 -2.962 1.00 0.00 C ATOM 229 C ASP C 23 22.342 14.664 -2.020 1.00 0.00 C ATOM 230 O ASP C 23 22.958 14.330 -1.026 1.00 0.00 O ATOM 231 CB ASP C 23 20.489 13.014 -2.313 1.00 0.00 C ATOM 232 CG ASP C 23 20.020 11.812 -3.135 1.00 0.00 C ATOM 233 OD1 ASP C 23 20.450 11.692 -4.271 1.00 0.00 O ATOM 234 OD2 ASP C 23 19.239 11.032 -2.616 1.00 0.00 O ATOM 0 H ASP C 23 22.490 11.634 -2.844 1.00 0.00 H new ATOM 0 HA ASP C 23 21.454 14.103 -3.901 1.00 0.00 H new ATOM 0 HB2 ASP C 23 20.714 12.704 -1.292 1.00 0.00 H new ATOM 0 HB3 ASP C 23 19.695 13.758 -2.253 1.00 0.00 H new ATOM 239 N LEU C 24 22.177 15.923 -2.322 1.00 0.00 N ATOM 240 CA LEU C 24 22.747 16.981 -1.442 1.00 0.00 C ATOM 241 C LEU C 24 21.913 17.081 -0.163 1.00 0.00 C ATOM 242 O LEU C 24 20.737 16.777 -0.153 1.00 0.00 O ATOM 243 CB LEU C 24 22.722 18.324 -2.175 1.00 0.00 C ATOM 244 CG LEU C 24 24.048 18.527 -2.910 1.00 0.00 C ATOM 245 CD1 LEU C 24 23.970 19.797 -3.760 1.00 0.00 C ATOM 246 CD2 LEU C 24 25.181 18.665 -1.890 1.00 0.00 C ATOM 0 H LEU C 24 21.672 16.264 -3.140 1.00 0.00 H new ATOM 0 HA LEU C 24 23.776 16.727 -1.187 1.00 0.00 H new ATOM 0 HB2 LEU C 24 21.894 18.349 -2.883 1.00 0.00 H new ATOM 0 HB3 LEU C 24 22.559 19.135 -1.465 1.00 0.00 H new ATOM 0 HG LEU C 24 24.242 17.669 -3.554 1.00 0.00 H new ATOM 0 HD11 LEU C 24 24.915 19.943 -4.284 1.00 0.00 H new ATOM 0 HD12 LEU C 24 23.163 19.700 -4.486 1.00 0.00 H new ATOM 0 HD13 LEU C 24 23.777 20.655 -3.116 1.00 0.00 H new ATOM 0 HD21 LEU C 24 26.126 18.810 -2.413 1.00 0.00 H new ATOM 0 HD22 LEU C 24 24.988 19.523 -1.246 1.00 0.00 H new ATOM 0 HD23 LEU C 24 25.237 17.761 -1.284 1.00 0.00 H new ATOM 258 N SER C 25 22.511 17.506 0.915 1.00 0.00 N ATOM 259 CA SER C 25 21.751 17.625 2.190 1.00 0.00 C ATOM 260 C SER C 25 21.293 19.072 2.382 1.00 0.00 C ATOM 261 O SER C 25 22.025 20.006 2.119 1.00 0.00 O ATOM 262 CB SER C 25 22.649 17.216 3.359 1.00 0.00 C ATOM 263 OG SER C 25 22.121 16.054 3.980 1.00 0.00 O ATOM 0 H SER C 25 23.493 17.776 0.968 1.00 0.00 H new ATOM 0 HA SER C 25 20.880 16.971 2.153 1.00 0.00 H new ATOM 0 HB2 SER C 25 23.661 17.023 3.003 1.00 0.00 H new ATOM 0 HB3 SER C 25 22.715 18.029 4.082 1.00 0.00 H new ATOM 0 HG SER C 25 22.043 15.336 3.318 1.00 0.00 H new ATOM 269 N PHE C 26 20.086 19.267 2.840 1.00 0.00 N ATOM 270 CA PHE C 26 19.584 20.654 3.050 1.00 0.00 C ATOM 271 C PHE C 26 18.433 20.632 4.057 1.00 0.00 C ATOM 272 O PHE C 26 17.474 19.901 3.903 1.00 0.00 O ATOM 273 CB PHE C 26 19.089 21.228 1.720 1.00 0.00 C ATOM 274 CG PHE C 26 17.866 20.443 1.243 1.00 0.00 C ATOM 275 CD1 PHE C 26 16.599 20.808 1.656 1.00 0.00 C ATOM 276 CD2 PHE C 26 18.012 19.365 0.391 1.00 0.00 C ATOM 277 CE1 PHE C 26 15.493 20.106 1.224 1.00 0.00 C ATOM 278 CE2 PHE C 26 16.906 18.661 -0.041 1.00 0.00 C ATOM 279 CZ PHE C 26 15.647 19.032 0.376 1.00 0.00 C ATOM 0 H PHE C 26 19.427 18.526 3.078 1.00 0.00 H new ATOM 0 HA PHE C 26 20.392 21.277 3.434 1.00 0.00 H new ATOM 0 HB2 PHE C 26 18.833 22.281 1.840 1.00 0.00 H new ATOM 0 HB3 PHE C 26 19.881 21.175 0.973 1.00 0.00 H new ATOM 0 HD1 PHE C 26 16.474 21.649 2.322 1.00 0.00 H new ATOM 0 HD2 PHE C 26 18.998 19.071 0.061 1.00 0.00 H new ATOM 0 HE1 PHE C 26 14.506 20.399 1.551 1.00 0.00 H new ATOM 0 HE2 PHE C 26 17.028 17.819 -0.706 1.00 0.00 H new ATOM 0 HZ PHE C 26 14.781 18.481 0.038 1.00 0.00 H new ATOM 289 N LYS C 27 18.517 21.430 5.087 1.00 0.00 N ATOM 290 CA LYS C 27 17.427 21.454 6.103 1.00 0.00 C ATOM 291 C LYS C 27 16.412 22.536 5.737 1.00 0.00 C ATOM 292 O LYS C 27 16.653 23.369 4.886 1.00 0.00 O ATOM 293 CB LYS C 27 18.020 21.758 7.481 1.00 0.00 C ATOM 294 CG LYS C 27 19.210 20.833 7.739 1.00 0.00 C ATOM 295 CD LYS C 27 19.361 20.604 9.244 1.00 0.00 C ATOM 296 CE LYS C 27 20.369 19.481 9.490 1.00 0.00 C ATOM 297 NZ LYS C 27 21.749 19.994 9.264 1.00 0.00 N ATOM 0 H LYS C 27 19.293 22.066 5.268 1.00 0.00 H new ATOM 0 HA LYS C 27 16.932 20.483 6.126 1.00 0.00 H new ATOM 0 HB2 LYS C 27 18.338 22.799 7.530 1.00 0.00 H new ATOM 0 HB3 LYS C 27 17.263 21.619 8.253 1.00 0.00 H new ATOM 0 HG2 LYS C 27 19.062 19.881 7.229 1.00 0.00 H new ATOM 0 HG3 LYS C 27 20.121 21.273 7.334 1.00 0.00 H new ATOM 0 HD2 LYS C 27 19.695 21.520 9.730 1.00 0.00 H new ATOM 0 HD3 LYS C 27 18.397 20.344 9.682 1.00 0.00 H new ATOM 0 HE2 LYS C 27 20.271 19.107 10.509 1.00 0.00 H new ATOM 0 HE3 LYS C 27 20.167 18.644 8.822 1.00 0.00 H new ATOM 0 HZ1 LYS C 27 22.435 19.230 9.431 1.00 0.00 H new ATOM 0 HZ2 LYS C 27 21.838 20.331 8.284 1.00 0.00 H new ATOM 0 HZ3 LYS C 27 21.939 20.779 9.919 1.00 0.00 H new ATOM 311 N LYS C 28 15.273 22.531 6.375 1.00 0.00 N ATOM 312 CA LYS C 28 14.240 23.558 6.066 1.00 0.00 C ATOM 313 C LYS C 28 14.855 24.954 6.184 1.00 0.00 C ATOM 314 O LYS C 28 15.709 25.198 7.012 1.00 0.00 O ATOM 315 CB LYS C 28 13.079 23.426 7.055 1.00 0.00 C ATOM 316 CG LYS C 28 12.131 24.615 6.888 1.00 0.00 C ATOM 317 CD LYS C 28 11.114 24.620 8.030 1.00 0.00 C ATOM 318 CE LYS C 28 9.928 25.510 7.651 1.00 0.00 C ATOM 319 NZ LYS C 28 8.932 24.707 6.888 1.00 0.00 N ATOM 0 H LYS C 28 15.014 21.859 7.097 1.00 0.00 H new ATOM 0 HA LYS C 28 13.872 23.409 5.051 1.00 0.00 H new ATOM 0 HB2 LYS C 28 12.543 22.493 6.881 1.00 0.00 H new ATOM 0 HB3 LYS C 28 13.459 23.390 8.076 1.00 0.00 H new ATOM 0 HG2 LYS C 28 12.696 25.547 6.886 1.00 0.00 H new ATOM 0 HG3 LYS C 28 11.617 24.552 5.929 1.00 0.00 H new ATOM 0 HD2 LYS C 28 10.771 23.605 8.231 1.00 0.00 H new ATOM 0 HD3 LYS C 28 11.580 24.986 8.945 1.00 0.00 H new ATOM 0 HE2 LYS C 28 9.468 25.923 8.548 1.00 0.00 H new ATOM 0 HE3 LYS C 28 10.269 26.353 7.050 1.00 0.00 H new ATOM 0 HZ1 LYS C 28 8.125 25.310 6.629 1.00 0.00 H new ATOM 0 HZ2 LYS C 28 9.376 24.333 6.025 1.00 0.00 H new ATOM 0 HZ3 LYS C 28 8.599 23.917 7.476 1.00 0.00 H new ATOM 333 N GLY C 29 14.427 25.871 5.361 1.00 0.00 N ATOM 334 CA GLY C 29 14.989 27.250 5.428 1.00 0.00 C ATOM 335 C GLY C 29 16.127 27.384 4.416 1.00 0.00 C ATOM 336 O GLY C 29 16.548 28.473 4.080 1.00 0.00 O ATOM 0 H GLY C 29 13.714 25.726 4.646 1.00 0.00 H new ATOM 0 HA2 GLY C 29 14.210 27.983 5.215 1.00 0.00 H new ATOM 0 HA3 GLY C 29 15.355 27.457 6.434 1.00 0.00 H new ATOM 340 N GLU C 30 16.632 26.284 3.926 1.00 0.00 N ATOM 341 CA GLU C 30 17.742 26.349 2.937 1.00 0.00 C ATOM 342 C GLU C 30 17.164 26.538 1.533 1.00 0.00 C ATOM 343 O GLU C 30 16.091 26.060 1.224 1.00 0.00 O ATOM 344 CB GLU C 30 18.547 25.048 2.987 1.00 0.00 C ATOM 345 CG GLU C 30 19.692 25.118 1.973 1.00 0.00 C ATOM 346 CD GLU C 30 20.892 25.823 2.607 1.00 0.00 C ATOM 347 OE1 GLU C 30 20.862 27.040 2.693 1.00 0.00 O ATOM 348 OE2 GLU C 30 21.821 25.135 2.995 1.00 0.00 O ATOM 0 H GLU C 30 16.322 25.343 4.169 1.00 0.00 H new ATOM 0 HA GLU C 30 18.394 27.189 3.177 1.00 0.00 H new ATOM 0 HB2 GLU C 30 18.944 24.892 3.990 1.00 0.00 H new ATOM 0 HB3 GLU C 30 17.901 24.199 2.764 1.00 0.00 H new ATOM 0 HG2 GLU C 30 19.973 24.114 1.655 1.00 0.00 H new ATOM 0 HG3 GLU C 30 19.370 25.656 1.081 1.00 0.00 H new ATOM 355 N ARG C 31 17.867 27.230 0.679 1.00 0.00 N ATOM 356 CA ARG C 31 17.357 27.447 -0.703 1.00 0.00 C ATOM 357 C ARG C 31 18.265 26.726 -1.701 1.00 0.00 C ATOM 358 O ARG C 31 19.476 26.771 -1.599 1.00 0.00 O ATOM 359 CB ARG C 31 17.348 28.945 -1.014 1.00 0.00 C ATOM 360 CG ARG C 31 15.949 29.510 -0.760 1.00 0.00 C ATOM 361 CD ARG C 31 15.834 29.953 0.701 1.00 0.00 C ATOM 362 NE ARG C 31 15.183 31.292 0.764 1.00 0.00 N ATOM 363 CZ ARG C 31 15.808 32.348 0.314 1.00 0.00 C ATOM 364 NH1 ARG C 31 17.007 32.235 -0.192 1.00 0.00 N ATOM 365 NH2 ARG C 31 15.233 33.517 0.369 1.00 0.00 N ATOM 0 H ARG C 31 18.773 27.654 0.879 1.00 0.00 H new ATOM 0 HA ARG C 31 16.344 27.053 -0.782 1.00 0.00 H new ATOM 0 HB2 ARG C 31 18.079 29.461 -0.391 1.00 0.00 H new ATOM 0 HB3 ARG C 31 17.637 29.114 -2.051 1.00 0.00 H new ATOM 0 HG2 ARG C 31 15.761 30.354 -1.423 1.00 0.00 H new ATOM 0 HG3 ARG C 31 15.195 28.755 -0.983 1.00 0.00 H new ATOM 0 HD2 ARG C 31 15.252 29.227 1.268 1.00 0.00 H new ATOM 0 HD3 ARG C 31 16.823 29.995 1.158 1.00 0.00 H new ATOM 0 HE ARG C 31 14.247 31.385 1.159 1.00 0.00 H new ATOM 0 HH11 ARG C 31 17.458 31.321 -0.237 1.00 0.00 H new ATOM 0 HH12 ARG C 31 17.493 33.061 -0.543 1.00 0.00 H new ATOM 0 HH21 ARG C 31 14.296 33.607 0.763 1.00 0.00 H new ATOM 0 HH22 ARG C 31 15.720 34.342 0.018 1.00 0.00 H new ATOM 379 N LEU C 32 17.692 26.060 -2.665 1.00 0.00 N ATOM 380 CA LEU C 32 18.523 25.336 -3.669 1.00 0.00 C ATOM 381 C LEU C 32 17.923 25.533 -5.064 1.00 0.00 C ATOM 382 O LEU C 32 16.740 25.761 -5.214 1.00 0.00 O ATOM 383 CB LEU C 32 18.546 23.844 -3.330 1.00 0.00 C ATOM 384 CG LEU C 32 19.173 23.645 -1.948 1.00 0.00 C ATOM 385 CD1 LEU C 32 18.077 23.673 -0.882 1.00 0.00 C ATOM 386 CD2 LEU C 32 19.893 22.295 -1.905 1.00 0.00 C ATOM 0 H LEU C 32 16.684 25.985 -2.801 1.00 0.00 H new ATOM 0 HA LEU C 32 19.540 25.729 -3.652 1.00 0.00 H new ATOM 0 HB2 LEU C 32 17.533 23.441 -3.343 1.00 0.00 H new ATOM 0 HB3 LEU C 32 19.116 23.298 -4.082 1.00 0.00 H new ATOM 0 HG LEU C 32 19.888 24.445 -1.754 1.00 0.00 H new ATOM 0 HD11 LEU C 32 18.523 23.531 0.102 1.00 0.00 H new ATOM 0 HD12 LEU C 32 17.564 24.634 -0.913 1.00 0.00 H new ATOM 0 HD13 LEU C 32 17.362 22.873 -1.075 1.00 0.00 H new ATOM 0 HD21 LEU C 32 20.340 22.152 -0.921 1.00 0.00 H new ATOM 0 HD22 LEU C 32 19.178 21.495 -2.098 1.00 0.00 H new ATOM 0 HD23 LEU C 32 20.674 22.275 -2.665 1.00 0.00 H new ATOM 398 N GLN C 33 18.731 25.445 -6.085 1.00 0.00 N ATOM 399 CA GLN C 33 18.207 25.628 -7.468 1.00 0.00 C ATOM 400 C GLN C 33 17.676 24.291 -7.991 1.00 0.00 C ATOM 401 O GLN C 33 18.158 23.237 -7.628 1.00 0.00 O ATOM 402 CB GLN C 33 19.336 26.120 -8.376 1.00 0.00 C ATOM 403 CG GLN C 33 18.806 26.311 -9.799 1.00 0.00 C ATOM 404 CD GLN C 33 19.038 27.757 -10.240 1.00 0.00 C ATOM 405 OE1 GLN C 33 18.433 28.669 -9.714 1.00 0.00 O ATOM 406 NE2 GLN C 33 19.895 28.007 -11.191 1.00 0.00 N ATOM 0 H GLN C 33 19.731 25.254 -6.021 1.00 0.00 H new ATOM 0 HA GLN C 33 17.400 26.361 -7.460 1.00 0.00 H new ATOM 0 HB2 GLN C 33 19.737 27.060 -7.997 1.00 0.00 H new ATOM 0 HB3 GLN C 33 20.155 25.401 -8.376 1.00 0.00 H new ATOM 0 HG2 GLN C 33 19.310 25.626 -10.481 1.00 0.00 H new ATOM 0 HG3 GLN C 33 17.743 26.074 -9.837 1.00 0.00 H new ATOM 0 HE21 GLN C 33 20.404 27.241 -11.633 1.00 0.00 H new ATOM 0 HE22 GLN C 33 20.057 28.968 -11.492 1.00 0.00 H new ATOM 415 N ILE C 34 16.681 24.322 -8.835 1.00 0.00 N ATOM 416 CA ILE C 34 16.125 23.050 -9.376 1.00 0.00 C ATOM 417 C ILE C 34 16.668 22.821 -10.789 1.00 0.00 C ATOM 418 O ILE C 34 16.919 23.754 -11.526 1.00 0.00 O ATOM 419 CB ILE C 34 14.598 23.135 -9.422 1.00 0.00 C ATOM 420 CG1 ILE C 34 14.064 23.473 -8.030 1.00 0.00 C ATOM 421 CG2 ILE C 34 14.027 21.788 -9.872 1.00 0.00 C ATOM 422 CD1 ILE C 34 14.315 22.294 -7.087 1.00 0.00 C ATOM 0 H ILE C 34 16.230 25.172 -9.173 1.00 0.00 H new ATOM 0 HA ILE C 34 16.420 22.221 -8.732 1.00 0.00 H new ATOM 0 HB ILE C 34 14.298 23.912 -10.125 1.00 0.00 H new ATOM 0 HG12 ILE C 34 14.554 24.369 -7.648 1.00 0.00 H new ATOM 0 HG13 ILE C 34 12.997 23.691 -8.081 1.00 0.00 H new ATOM 0 HG21 ILE C 34 12.939 21.847 -9.905 1.00 0.00 H new ATOM 0 HG22 ILE C 34 14.408 21.545 -10.864 1.00 0.00 H new ATOM 0 HG23 ILE C 34 14.327 21.012 -9.168 1.00 0.00 H new ATOM 0 HD11 ILE C 34 13.934 22.535 -6.094 1.00 0.00 H new ATOM 0 HD12 ILE C 34 13.804 21.409 -7.467 1.00 0.00 H new ATOM 0 HD13 ILE C 34 15.385 22.097 -7.027 1.00 0.00 H new ATOM 434 N VAL C 35 16.852 21.587 -11.170 1.00 0.00 N ATOM 435 CA VAL C 35 17.379 21.299 -12.534 1.00 0.00 C ATOM 436 C VAL C 35 16.358 20.465 -13.305 1.00 0.00 C ATOM 437 O VAL C 35 15.649 20.961 -14.158 1.00 0.00 O ATOM 438 CB VAL C 35 18.690 20.519 -12.418 1.00 0.00 C ATOM 439 CG1 VAL C 35 19.228 20.215 -13.819 1.00 0.00 C ATOM 440 CG2 VAL C 35 19.715 21.356 -11.650 1.00 0.00 C ATOM 0 H VAL C 35 16.660 20.766 -10.596 1.00 0.00 H new ATOM 0 HA VAL C 35 17.558 22.236 -13.062 1.00 0.00 H new ATOM 0 HB VAL C 35 18.511 19.585 -11.886 1.00 0.00 H new ATOM 0 HG11 VAL C 35 20.162 19.659 -13.737 1.00 0.00 H new ATOM 0 HG12 VAL C 35 18.498 19.620 -14.368 1.00 0.00 H new ATOM 0 HG13 VAL C 35 19.407 21.150 -14.351 1.00 0.00 H new ATOM 0 HG21 VAL C 35 20.649 20.801 -11.567 1.00 0.00 H new ATOM 0 HG22 VAL C 35 19.894 22.290 -12.182 1.00 0.00 H new ATOM 0 HG23 VAL C 35 19.333 21.574 -10.653 1.00 0.00 H new ATOM 450 N ASN C 36 16.279 19.198 -13.010 1.00 0.00 N ATOM 451 CA ASN C 36 15.306 18.325 -13.721 1.00 0.00 C ATOM 452 C ASN C 36 14.136 18.009 -12.787 1.00 0.00 C ATOM 453 O ASN C 36 14.249 17.199 -11.889 1.00 0.00 O ATOM 454 CB ASN C 36 15.996 17.023 -14.135 1.00 0.00 C ATOM 455 CG ASN C 36 15.032 16.178 -14.970 1.00 0.00 C ATOM 456 OD1 ASN C 36 14.259 15.410 -14.433 1.00 0.00 O ATOM 457 ND2 ASN C 36 15.047 16.287 -16.270 1.00 0.00 N ATOM 0 H ASN C 36 16.848 18.729 -12.305 1.00 0.00 H new ATOM 0 HA ASN C 36 14.936 18.836 -14.610 1.00 0.00 H new ATOM 0 HB2 ASN C 36 16.896 17.243 -14.710 1.00 0.00 H new ATOM 0 HB3 ASN C 36 16.310 16.468 -13.251 1.00 0.00 H new ATOM 0 HD21 ASN C 36 14.409 15.727 -16.836 1.00 0.00 H new ATOM 0 HD22 ASN C 36 15.696 16.932 -16.720 1.00 0.00 H new ATOM 464 N ASN C 37 13.014 18.642 -12.990 1.00 0.00 N ATOM 465 CA ASN C 37 11.842 18.374 -12.108 1.00 0.00 C ATOM 466 C ASN C 37 10.819 17.512 -12.859 1.00 0.00 C ATOM 467 O ASN C 37 10.932 16.304 -12.905 1.00 0.00 O ATOM 468 CB ASN C 37 11.196 19.698 -11.683 1.00 0.00 C ATOM 469 CG ASN C 37 11.410 20.756 -12.768 1.00 0.00 C ATOM 470 OD1 ASN C 37 11.229 20.489 -13.940 1.00 0.00 O ATOM 471 ND2 ASN C 37 11.792 21.956 -12.425 1.00 0.00 N ATOM 0 H ASN C 37 12.857 19.331 -13.726 1.00 0.00 H new ATOM 0 HA ASN C 37 12.177 17.841 -11.218 1.00 0.00 H new ATOM 0 HB2 ASN C 37 10.130 19.553 -11.510 1.00 0.00 H new ATOM 0 HB3 ASN C 37 11.628 20.038 -10.742 1.00 0.00 H new ATOM 0 HD21 ASN C 37 11.938 22.669 -13.140 1.00 0.00 H new ATOM 0 HD22 ASN C 37 11.944 22.181 -11.442 1.00 0.00 H new ATOM 478 N THR C 38 9.825 18.125 -13.444 1.00 0.00 N ATOM 479 CA THR C 38 8.793 17.352 -14.193 1.00 0.00 C ATOM 480 C THR C 38 8.432 16.073 -13.434 1.00 0.00 C ATOM 481 O THR C 38 8.960 15.013 -13.707 1.00 0.00 O ATOM 482 CB THR C 38 9.318 16.995 -15.587 1.00 0.00 C ATOM 483 OG1 THR C 38 8.432 16.071 -16.202 1.00 0.00 O ATOM 484 CG2 THR C 38 10.711 16.370 -15.477 1.00 0.00 C ATOM 0 H THR C 38 9.683 19.135 -13.435 1.00 0.00 H new ATOM 0 HA THR C 38 7.899 17.968 -14.292 1.00 0.00 H new ATOM 0 HB THR C 38 9.380 17.901 -16.189 1.00 0.00 H new ATOM 0 HG1 THR C 38 8.766 15.843 -17.095 1.00 0.00 H new ATOM 0 HG21 THR C 38 11.077 16.119 -16.473 1.00 0.00 H new ATOM 0 HG22 THR C 38 11.392 17.080 -15.008 1.00 0.00 H new ATOM 0 HG23 THR C 38 10.657 15.465 -14.872 1.00 0.00 H new ATOM 492 N GLU C 39 7.513 16.179 -12.505 1.00 0.00 N ATOM 493 CA GLU C 39 7.072 15.010 -11.697 1.00 0.00 C ATOM 494 C GLU C 39 8.179 13.957 -11.594 1.00 0.00 C ATOM 495 O GLU C 39 9.351 14.276 -11.538 1.00 0.00 O ATOM 496 CB GLU C 39 5.835 14.402 -12.351 1.00 0.00 C ATOM 497 CG GLU C 39 5.040 15.488 -13.084 1.00 0.00 C ATOM 498 CD GLU C 39 3.922 14.839 -13.900 1.00 0.00 C ATOM 499 OE1 GLU C 39 4.205 13.879 -14.598 1.00 0.00 O ATOM 500 OE2 GLU C 39 2.800 15.312 -13.814 1.00 0.00 O ATOM 0 H GLU C 39 7.041 17.052 -12.271 1.00 0.00 H new ATOM 0 HA GLU C 39 6.839 15.346 -10.686 1.00 0.00 H new ATOM 0 HB2 GLU C 39 6.131 13.621 -13.052 1.00 0.00 H new ATOM 0 HB3 GLU C 39 5.209 13.930 -11.594 1.00 0.00 H new ATOM 0 HG2 GLU C 39 4.619 16.192 -12.366 1.00 0.00 H new ATOM 0 HG3 GLU C 39 5.700 16.057 -13.739 1.00 0.00 H new ATOM 507 N GLY C 40 7.821 12.702 -11.568 1.00 0.00 N ATOM 508 CA GLY C 40 8.854 11.635 -11.469 1.00 0.00 C ATOM 509 C GLY C 40 8.951 11.168 -10.018 1.00 0.00 C ATOM 510 O GLY C 40 8.342 10.192 -9.626 1.00 0.00 O ATOM 0 H GLY C 40 6.857 12.371 -11.611 1.00 0.00 H new ATOM 0 HA2 GLY C 40 8.594 10.798 -12.117 1.00 0.00 H new ATOM 0 HA3 GLY C 40 9.819 12.013 -11.808 1.00 0.00 H new ATOM 514 N ASP C 41 9.709 11.863 -9.215 1.00 0.00 N ATOM 515 CA ASP C 41 9.849 11.466 -7.786 1.00 0.00 C ATOM 516 C ASP C 41 11.083 12.142 -7.186 1.00 0.00 C ATOM 517 O ASP C 41 11.031 12.713 -6.115 1.00 0.00 O ATOM 518 CB ASP C 41 10.002 9.946 -7.687 1.00 0.00 C ATOM 519 CG ASP C 41 8.679 9.331 -7.226 1.00 0.00 C ATOM 520 OD1 ASP C 41 8.174 9.760 -6.202 1.00 0.00 O ATOM 521 OD2 ASP C 41 8.195 8.440 -7.903 1.00 0.00 O ATOM 0 H ASP C 41 10.239 12.691 -9.488 1.00 0.00 H new ATOM 0 HA ASP C 41 8.960 11.777 -7.237 1.00 0.00 H new ATOM 0 HB2 ASP C 41 10.289 9.535 -8.655 1.00 0.00 H new ATOM 0 HB3 ASP C 41 10.797 9.694 -6.985 1.00 0.00 H new ATOM 526 N TRP C 42 12.194 12.083 -7.868 1.00 0.00 N ATOM 527 CA TRP C 42 13.429 12.723 -7.335 1.00 0.00 C ATOM 528 C TRP C 42 13.957 13.733 -8.353 1.00 0.00 C ATOM 529 O TRP C 42 14.192 13.408 -9.501 1.00 0.00 O ATOM 530 CB TRP C 42 14.488 11.651 -7.079 1.00 0.00 C ATOM 531 CG TRP C 42 14.323 11.101 -5.662 1.00 0.00 C ATOM 532 CD1 TRP C 42 13.595 10.021 -5.332 1.00 0.00 C ATOM 533 CD2 TRP C 42 14.876 11.627 -4.571 1.00 0.00 C ATOM 534 NE1 TRP C 42 13.741 9.935 -4.008 1.00 0.00 N ATOM 535 CE2 TRP C 42 14.523 10.895 -3.452 1.00 0.00 C ATOM 536 CE3 TRP C 42 15.693 12.731 -4.445 1.00 0.00 C ATOM 537 CZ2 TRP C 42 14.990 11.271 -2.209 1.00 0.00 C ATOM 538 CZ3 TRP C 42 16.159 13.106 -3.202 1.00 0.00 C ATOM 539 CH2 TRP C 42 15.807 12.377 -2.084 1.00 0.00 C ATOM 0 H TRP C 42 12.300 11.620 -8.771 1.00 0.00 H new ATOM 0 HA TRP C 42 13.201 13.236 -6.401 1.00 0.00 H new ATOM 0 HB2 TRP C 42 14.389 10.846 -7.807 1.00 0.00 H new ATOM 0 HB3 TRP C 42 15.485 12.073 -7.203 1.00 0.00 H new ATOM 0 HD1 TRP C 42 13.026 9.375 -5.984 1.00 0.00 H new ATOM 0 HE1 TRP C 42 13.298 9.202 -3.455 1.00 0.00 H new ATOM 0 HE3 TRP C 42 15.968 13.302 -5.320 1.00 0.00 H new ATOM 0 HZ2 TRP C 42 14.716 10.700 -1.334 1.00 0.00 H new ATOM 0 HZ3 TRP C 42 16.799 13.970 -3.104 1.00 0.00 H new ATOM 0 HH2 TRP C 42 16.171 12.672 -1.111 1.00 0.00 H new ATOM 550 N TRP C 43 14.148 14.957 -7.944 1.00 0.00 N ATOM 551 CA TRP C 43 14.662 15.988 -8.890 1.00 0.00 C ATOM 552 C TRP C 43 16.142 16.252 -8.601 1.00 0.00 C ATOM 553 O TRP C 43 16.687 15.781 -7.623 1.00 0.00 O ATOM 554 CB TRP C 43 13.876 17.288 -8.706 1.00 0.00 C ATOM 555 CG TRP C 43 12.385 17.036 -8.938 1.00 0.00 C ATOM 556 CD1 TRP C 43 11.872 16.101 -9.759 1.00 0.00 C ATOM 557 CD2 TRP C 43 11.402 17.735 -8.376 1.00 0.00 C ATOM 558 NE1 TRP C 43 10.552 16.284 -9.656 1.00 0.00 N ATOM 559 CE2 TRP C 43 10.173 17.280 -8.814 1.00 0.00 C ATOM 560 CE3 TRP C 43 11.471 18.777 -7.474 1.00 0.00 C ATOM 561 CZ2 TRP C 43 9.015 17.869 -8.348 1.00 0.00 C ATOM 562 CZ3 TRP C 43 10.313 19.364 -7.007 1.00 0.00 C ATOM 563 CH2 TRP C 43 9.085 18.910 -7.445 1.00 0.00 C ATOM 0 H TRP C 43 13.970 15.288 -6.996 1.00 0.00 H new ATOM 0 HA TRP C 43 14.545 15.630 -9.913 1.00 0.00 H new ATOM 0 HB2 TRP C 43 14.035 17.679 -7.701 1.00 0.00 H new ATOM 0 HB3 TRP C 43 14.238 18.043 -9.403 1.00 0.00 H new ATOM 0 HD1 TRP C 43 12.401 15.375 -10.359 1.00 0.00 H new ATOM 0 HE1 TRP C 43 9.879 15.717 -10.172 1.00 0.00 H new ATOM 0 HE3 TRP C 43 12.432 19.133 -7.133 1.00 0.00 H new ATOM 0 HZ2 TRP C 43 8.054 17.515 -8.690 1.00 0.00 H new ATOM 0 HZ3 TRP C 43 10.367 20.178 -6.299 1.00 0.00 H new ATOM 0 HH2 TRP C 43 8.178 19.370 -7.081 1.00 0.00 H new ATOM 574 N LEU C 44 16.798 17.000 -9.448 1.00 0.00 N ATOM 575 CA LEU C 44 18.241 17.293 -9.221 1.00 0.00 C ATOM 576 C LEU C 44 18.406 18.791 -8.958 1.00 0.00 C ATOM 577 O LEU C 44 18.164 19.611 -9.819 1.00 0.00 O ATOM 578 CB LEU C 44 19.047 16.897 -10.459 1.00 0.00 C ATOM 579 CG LEU C 44 20.541 17.016 -10.150 1.00 0.00 C ATOM 580 CD1 LEU C 44 20.953 15.894 -9.195 1.00 0.00 C ATOM 581 CD2 LEU C 44 21.342 16.901 -11.448 1.00 0.00 C ATOM 0 H LEU C 44 16.396 17.420 -10.286 1.00 0.00 H new ATOM 0 HA LEU C 44 18.603 16.725 -8.364 1.00 0.00 H new ATOM 0 HB2 LEU C 44 18.805 15.876 -10.753 1.00 0.00 H new ATOM 0 HB3 LEU C 44 18.785 17.541 -11.299 1.00 0.00 H new ATOM 0 HG LEU C 44 20.741 17.982 -9.686 1.00 0.00 H new ATOM 0 HD11 LEU C 44 22.017 15.977 -8.974 1.00 0.00 H new ATOM 0 HD12 LEU C 44 20.382 15.976 -8.270 1.00 0.00 H new ATOM 0 HD13 LEU C 44 20.753 14.929 -9.660 1.00 0.00 H new ATOM 0 HD21 LEU C 44 22.406 16.986 -11.228 1.00 0.00 H new ATOM 0 HD22 LEU C 44 21.144 15.936 -11.914 1.00 0.00 H new ATOM 0 HD23 LEU C 44 21.048 17.700 -12.129 1.00 0.00 H new ATOM 593 N ALA C 45 18.816 19.156 -7.775 1.00 0.00 N ATOM 594 CA ALA C 45 18.991 20.603 -7.467 1.00 0.00 C ATOM 595 C ALA C 45 20.477 20.973 -7.506 1.00 0.00 C ATOM 596 O ALA C 45 21.333 20.203 -7.118 1.00 0.00 O ATOM 597 CB ALA C 45 18.430 20.898 -6.074 1.00 0.00 C ATOM 0 H ALA C 45 19.037 18.518 -7.011 1.00 0.00 H new ATOM 0 HA ALA C 45 18.457 21.193 -8.212 1.00 0.00 H new ATOM 0 HB1 ALA C 45 18.557 21.956 -5.847 1.00 0.00 H new ATOM 0 HB2 ALA C 45 17.370 20.646 -6.048 1.00 0.00 H new ATOM 0 HB3 ALA C 45 18.963 20.302 -5.333 1.00 0.00 H new ATOM 603 N HIS C 46 20.783 22.153 -7.975 1.00 0.00 N ATOM 604 CA HIS C 46 22.204 22.591 -8.047 1.00 0.00 C ATOM 605 C HIS C 46 22.427 23.710 -7.021 1.00 0.00 C ATOM 606 O HIS C 46 21.680 24.667 -6.959 1.00 0.00 O ATOM 607 CB HIS C 46 22.497 23.092 -9.474 1.00 0.00 C ATOM 608 CG HIS C 46 23.549 24.209 -9.457 1.00 0.00 C ATOM 609 ND1 HIS C 46 24.804 24.033 -9.431 1.00 0.00 N ATOM 610 CD2 HIS C 46 23.381 25.582 -9.468 1.00 0.00 C ATOM 611 CE1 HIS C 46 25.416 25.158 -9.427 1.00 0.00 C ATOM 612 NE2 HIS C 46 24.581 26.183 -9.450 1.00 0.00 N ATOM 0 H HIS C 46 20.104 22.835 -8.313 1.00 0.00 H new ATOM 0 HA HIS C 46 22.877 21.764 -7.819 1.00 0.00 H new ATOM 0 HB2 HIS C 46 22.850 22.264 -10.089 1.00 0.00 H new ATOM 0 HB3 HIS C 46 21.578 23.459 -9.931 1.00 0.00 H new ATOM 0 HD2 HIS C 46 22.429 26.092 -9.488 1.00 0.00 H new ATOM 0 HE1 HIS C 46 26.491 25.258 -9.407 1.00 0.00 H new ATOM 0 HE2 HIS C 46 24.795 27.180 -9.453 1.00 0.00 H new ATOM 620 N SER C 47 23.447 23.596 -6.215 1.00 0.00 N ATOM 621 CA SER C 47 23.715 24.652 -5.197 1.00 0.00 C ATOM 622 C SER C 47 24.107 25.951 -5.904 1.00 0.00 C ATOM 623 O SER C 47 24.554 25.942 -7.033 1.00 0.00 O ATOM 624 CB SER C 47 24.856 24.202 -4.282 1.00 0.00 C ATOM 625 OG SER C 47 24.325 23.464 -3.191 1.00 0.00 O ATOM 0 H SER C 47 24.106 22.818 -6.217 1.00 0.00 H new ATOM 0 HA SER C 47 22.818 24.819 -4.600 1.00 0.00 H new ATOM 0 HB2 SER C 47 25.563 23.588 -4.840 1.00 0.00 H new ATOM 0 HB3 SER C 47 25.406 25.069 -3.915 1.00 0.00 H new ATOM 0 HG SER C 47 25.056 23.174 -2.606 1.00 0.00 H new ATOM 631 N LEU C 48 23.944 27.067 -5.249 1.00 0.00 N ATOM 632 CA LEU C 48 24.308 28.363 -5.887 1.00 0.00 C ATOM 633 C LEU C 48 25.596 28.901 -5.259 1.00 0.00 C ATOM 634 O LEU C 48 26.167 29.868 -5.723 1.00 0.00 O ATOM 635 CB LEU C 48 23.177 29.371 -5.674 1.00 0.00 C ATOM 636 CG LEU C 48 21.879 28.809 -6.256 1.00 0.00 C ATOM 637 CD1 LEU C 48 20.715 29.730 -5.886 1.00 0.00 C ATOM 638 CD2 LEU C 48 21.998 28.721 -7.779 1.00 0.00 C ATOM 0 H LEU C 48 23.575 27.138 -4.301 1.00 0.00 H new ATOM 0 HA LEU C 48 24.463 28.210 -6.955 1.00 0.00 H new ATOM 0 HB2 LEU C 48 23.053 29.576 -4.611 1.00 0.00 H new ATOM 0 HB3 LEU C 48 23.424 30.318 -6.154 1.00 0.00 H new ATOM 0 HG LEU C 48 21.698 27.814 -5.849 1.00 0.00 H new ATOM 0 HD11 LEU C 48 19.789 29.331 -6.300 1.00 0.00 H new ATOM 0 HD12 LEU C 48 20.630 29.791 -4.801 1.00 0.00 H new ATOM 0 HD13 LEU C 48 20.895 30.725 -6.293 1.00 0.00 H new ATOM 0 HD21 LEU C 48 21.073 28.320 -8.194 1.00 0.00 H new ATOM 0 HD22 LEU C 48 22.178 29.715 -8.188 1.00 0.00 H new ATOM 0 HD23 LEU C 48 22.828 28.065 -8.042 1.00 0.00 H new ATOM 650 N THR C 49 26.058 28.282 -4.207 1.00 0.00 N ATOM 651 CA THR C 49 27.308 28.759 -3.553 1.00 0.00 C ATOM 652 C THR C 49 28.519 28.195 -4.300 1.00 0.00 C ATOM 653 O THR C 49 29.178 28.890 -5.046 1.00 0.00 O ATOM 654 CB THR C 49 27.336 28.281 -2.099 1.00 0.00 C ATOM 655 OG1 THR C 49 26.055 27.779 -1.744 1.00 0.00 O ATOM 656 CG2 THR C 49 27.700 29.451 -1.184 1.00 0.00 C ATOM 0 H THR C 49 25.624 27.467 -3.773 1.00 0.00 H new ATOM 0 HA THR C 49 27.341 29.848 -3.578 1.00 0.00 H new ATOM 0 HB THR C 49 28.079 27.492 -1.988 1.00 0.00 H new ATOM 0 HG1 THR C 49 26.071 27.471 -0.814 1.00 0.00 H new ATOM 0 HG21 THR C 49 27.720 29.111 -0.149 1.00 0.00 H new ATOM 0 HG22 THR C 49 28.682 29.836 -1.459 1.00 0.00 H new ATOM 0 HG23 THR C 49 26.958 30.242 -1.292 1.00 0.00 H new ATOM 664 N THR C 50 28.815 26.940 -4.105 1.00 0.00 N ATOM 665 CA THR C 50 29.982 26.333 -4.802 1.00 0.00 C ATOM 666 C THR C 50 29.531 25.773 -6.152 1.00 0.00 C ATOM 667 O THR C 50 30.178 25.961 -7.163 1.00 0.00 O ATOM 668 CB THR C 50 30.556 25.201 -3.947 1.00 0.00 C ATOM 669 OG1 THR C 50 30.303 25.473 -2.575 1.00 0.00 O ATOM 670 CG2 THR C 50 32.064 25.099 -4.179 1.00 0.00 C ATOM 0 H THR C 50 28.299 26.309 -3.493 1.00 0.00 H new ATOM 0 HA THR C 50 30.748 27.093 -4.959 1.00 0.00 H new ATOM 0 HB THR C 50 30.084 24.259 -4.225 1.00 0.00 H new ATOM 0 HG1 THR C 50 30.668 24.749 -2.025 1.00 0.00 H new ATOM 0 HG21 THR C 50 32.472 24.293 -3.570 1.00 0.00 H new ATOM 0 HG22 THR C 50 32.257 24.892 -5.232 1.00 0.00 H new ATOM 0 HG23 THR C 50 32.539 26.040 -3.901 1.00 0.00 H new ATOM 678 N GLY C 51 28.423 25.084 -6.176 1.00 0.00 N ATOM 679 CA GLY C 51 27.929 24.511 -7.459 1.00 0.00 C ATOM 680 C GLY C 51 27.953 22.984 -7.377 1.00 0.00 C ATOM 681 O GLY C 51 28.376 22.309 -8.295 1.00 0.00 O ATOM 0 H GLY C 51 27.839 24.893 -5.362 1.00 0.00 H new ATOM 0 HA2 GLY C 51 26.916 24.859 -7.659 1.00 0.00 H new ATOM 0 HA3 GLY C 51 28.552 24.851 -8.286 1.00 0.00 H new ATOM 685 N GLN C 52 27.503 22.432 -6.283 1.00 0.00 N ATOM 686 CA GLN C 52 27.499 20.949 -6.142 1.00 0.00 C ATOM 687 C GLN C 52 26.106 20.409 -6.470 1.00 0.00 C ATOM 688 O GLN C 52 25.112 20.874 -5.948 1.00 0.00 O ATOM 689 CB GLN C 52 27.868 20.572 -4.706 1.00 0.00 C ATOM 690 CG GLN C 52 29.352 20.862 -4.468 1.00 0.00 C ATOM 691 CD GLN C 52 29.605 21.021 -2.967 1.00 0.00 C ATOM 692 OE1 GLN C 52 29.156 20.218 -2.175 1.00 0.00 O ATOM 693 NE2 GLN C 52 30.312 22.032 -2.542 1.00 0.00 N ATOM 0 H GLN C 52 27.138 22.945 -5.481 1.00 0.00 H new ATOM 0 HA GLN C 52 28.227 20.517 -6.829 1.00 0.00 H new ATOM 0 HB2 GLN C 52 27.258 21.138 -4.002 1.00 0.00 H new ATOM 0 HB3 GLN C 52 27.660 19.516 -4.531 1.00 0.00 H new ATOM 0 HG2 GLN C 52 29.961 20.050 -4.867 1.00 0.00 H new ATOM 0 HG3 GLN C 52 29.646 21.770 -4.996 1.00 0.00 H new ATOM 0 HE21 GLN C 52 30.689 22.706 -3.208 1.00 0.00 H new ATOM 0 HE22 GLN C 52 30.488 22.148 -1.544 1.00 0.00 H new ATOM 702 N THR C 53 26.025 19.431 -7.332 1.00 0.00 N ATOM 703 CA THR C 53 24.697 18.863 -7.692 1.00 0.00 C ATOM 704 C THR C 53 24.258 17.882 -6.595 1.00 0.00 C ATOM 705 O THR C 53 25.072 17.328 -5.884 1.00 0.00 O ATOM 706 CB THR C 53 24.806 18.165 -9.067 1.00 0.00 C ATOM 707 OG1 THR C 53 23.924 18.802 -9.981 1.00 0.00 O ATOM 708 CG2 THR C 53 24.443 16.676 -8.976 1.00 0.00 C ATOM 0 H THR C 53 26.822 19.002 -7.802 1.00 0.00 H new ATOM 0 HA THR C 53 23.946 19.649 -7.766 1.00 0.00 H new ATOM 0 HB THR C 53 25.839 18.243 -9.407 1.00 0.00 H new ATOM 0 HG1 THR C 53 24.102 18.476 -10.888 1.00 0.00 H new ATOM 0 HG21 THR C 53 24.531 16.219 -9.962 1.00 0.00 H new ATOM 0 HG22 THR C 53 25.121 16.178 -8.283 1.00 0.00 H new ATOM 0 HG23 THR C 53 23.419 16.572 -8.618 1.00 0.00 H new ATOM 716 N GLY C 54 22.978 17.666 -6.456 1.00 0.00 N ATOM 717 CA GLY C 54 22.492 16.725 -5.409 1.00 0.00 C ATOM 718 C GLY C 54 20.996 16.466 -5.605 1.00 0.00 C ATOM 719 O GLY C 54 20.178 17.353 -5.454 1.00 0.00 O ATOM 0 H GLY C 54 22.249 18.100 -7.022 1.00 0.00 H new ATOM 0 HA2 GLY C 54 23.044 15.787 -5.465 1.00 0.00 H new ATOM 0 HA3 GLY C 54 22.672 17.143 -4.418 1.00 0.00 H new ATOM 723 N TYR C 55 20.631 15.259 -5.942 1.00 0.00 N ATOM 724 CA TYR C 55 19.194 14.943 -6.147 1.00 0.00 C ATOM 725 C TYR C 55 18.412 15.262 -4.872 1.00 0.00 C ATOM 726 O TYR C 55 18.648 14.689 -3.828 1.00 0.00 O ATOM 727 CB TYR C 55 19.052 13.459 -6.473 1.00 0.00 C ATOM 728 CG TYR C 55 19.966 13.103 -7.647 1.00 0.00 C ATOM 729 CD1 TYR C 55 19.544 13.296 -8.947 1.00 0.00 C ATOM 730 CD2 TYR C 55 21.223 12.579 -7.423 1.00 0.00 C ATOM 731 CE1 TYR C 55 20.367 12.971 -10.005 1.00 0.00 C ATOM 732 CE2 TYR C 55 22.045 12.254 -8.481 1.00 0.00 C ATOM 733 CZ TYR C 55 21.624 12.447 -9.781 1.00 0.00 C ATOM 734 OH TYR C 55 22.447 12.123 -10.840 1.00 0.00 O ATOM 0 H TYR C 55 21.271 14.477 -6.084 1.00 0.00 H new ATOM 0 HA TYR C 55 18.800 15.541 -6.969 1.00 0.00 H new ATOM 0 HB2 TYR C 55 19.312 12.858 -5.601 1.00 0.00 H new ATOM 0 HB3 TYR C 55 18.016 13.228 -6.722 1.00 0.00 H new ATOM 0 HD1 TYR C 55 18.562 13.704 -9.137 1.00 0.00 H new ATOM 0 HD2 TYR C 55 21.565 12.422 -6.411 1.00 0.00 H new ATOM 0 HE1 TYR C 55 20.025 13.128 -11.017 1.00 0.00 H new ATOM 0 HE2 TYR C 55 23.026 11.845 -8.291 1.00 0.00 H new ATOM 0 HH TYR C 55 23.294 11.768 -10.499 1.00 0.00 H new ATOM 744 N ILE C 56 17.480 16.172 -4.947 1.00 0.00 N ATOM 745 CA ILE C 56 16.686 16.524 -3.737 1.00 0.00 C ATOM 746 C ILE C 56 15.305 15.862 -3.825 1.00 0.00 C ATOM 747 O ILE C 56 14.752 15.732 -4.900 1.00 0.00 O ATOM 748 CB ILE C 56 16.520 18.042 -3.658 1.00 0.00 C ATOM 749 CG1 ILE C 56 15.833 18.549 -4.926 1.00 0.00 C ATOM 750 CG2 ILE C 56 17.897 18.698 -3.528 1.00 0.00 C ATOM 751 CD1 ILE C 56 15.073 19.840 -4.614 1.00 0.00 C ATOM 0 H ILE C 56 17.234 16.686 -5.793 1.00 0.00 H new ATOM 0 HA ILE C 56 17.204 16.170 -2.846 1.00 0.00 H new ATOM 0 HB ILE C 56 15.911 18.295 -2.790 1.00 0.00 H new ATOM 0 HG12 ILE C 56 16.573 18.730 -5.706 1.00 0.00 H new ATOM 0 HG13 ILE C 56 15.146 17.793 -5.307 1.00 0.00 H new ATOM 0 HG21 ILE C 56 17.781 19.780 -3.472 1.00 0.00 H new ATOM 0 HG22 ILE C 56 18.388 18.338 -2.624 1.00 0.00 H new ATOM 0 HG23 ILE C 56 18.505 18.443 -4.396 1.00 0.00 H new ATOM 0 HD11 ILE C 56 14.583 20.201 -5.518 1.00 0.00 H new ATOM 0 HD12 ILE C 56 14.322 19.644 -3.848 1.00 0.00 H new ATOM 0 HD13 ILE C 56 15.771 20.595 -4.253 1.00 0.00 H new ATOM 763 N PRO C 57 14.790 15.464 -2.688 1.00 0.00 N ATOM 764 CA PRO C 57 13.471 14.811 -2.611 1.00 0.00 C ATOM 765 C PRO C 57 12.379 15.767 -3.100 1.00 0.00 C ATOM 766 O PRO C 57 12.440 16.960 -2.880 1.00 0.00 O ATOM 767 CB PRO C 57 13.278 14.488 -1.123 1.00 0.00 C ATOM 768 CG PRO C 57 14.529 14.999 -0.363 1.00 0.00 C ATOM 769 CD PRO C 57 15.479 15.626 -1.395 1.00 0.00 C ATOM 0 HA PRO C 57 13.412 13.918 -3.234 1.00 0.00 H new ATOM 0 HB2 PRO C 57 12.377 14.967 -0.741 1.00 0.00 H new ATOM 0 HB3 PRO C 57 13.154 13.415 -0.978 1.00 0.00 H new ATOM 0 HG2 PRO C 57 14.245 15.733 0.391 1.00 0.00 H new ATOM 0 HG3 PRO C 57 15.020 14.179 0.160 1.00 0.00 H new ATOM 0 HD2 PRO C 57 15.664 16.677 -1.175 1.00 0.00 H new ATOM 0 HD3 PRO C 57 16.447 15.125 -1.397 1.00 0.00 H new ATOM 777 N SER C 58 11.381 15.251 -3.764 1.00 0.00 N ATOM 778 CA SER C 58 10.287 16.127 -4.266 1.00 0.00 C ATOM 779 C SER C 58 9.250 16.337 -3.159 1.00 0.00 C ATOM 780 O SER C 58 8.162 16.818 -3.398 1.00 0.00 O ATOM 781 CB SER C 58 9.625 15.465 -5.478 1.00 0.00 C ATOM 782 OG SER C 58 8.334 14.991 -5.122 1.00 0.00 O ATOM 0 H SER C 58 11.277 14.260 -3.980 1.00 0.00 H new ATOM 0 HA SER C 58 10.697 17.093 -4.560 1.00 0.00 H new ATOM 0 HB2 SER C 58 9.547 16.180 -6.297 1.00 0.00 H new ATOM 0 HB3 SER C 58 10.240 14.639 -5.834 1.00 0.00 H new ATOM 0 HG SER C 58 7.914 14.570 -5.901 1.00 0.00 H new ATOM 788 N ASN C 59 9.579 15.977 -1.948 1.00 0.00 N ATOM 789 CA ASN C 59 8.612 16.156 -0.830 1.00 0.00 C ATOM 790 C ASN C 59 9.217 17.084 0.226 1.00 0.00 C ATOM 791 O ASN C 59 8.519 17.634 1.055 1.00 0.00 O ATOM 792 CB ASN C 59 8.307 14.796 -0.198 1.00 0.00 C ATOM 793 CG ASN C 59 6.980 14.872 0.559 1.00 0.00 C ATOM 794 OD1 ASN C 59 5.923 14.746 -0.029 1.00 0.00 O ATOM 795 ND2 ASN C 59 6.988 15.074 1.849 1.00 0.00 N ATOM 0 H ASN C 59 10.475 15.567 -1.686 1.00 0.00 H new ATOM 0 HA ASN C 59 7.691 16.595 -1.214 1.00 0.00 H new ATOM 0 HB2 ASN C 59 8.254 14.028 -0.970 1.00 0.00 H new ATOM 0 HB3 ASN C 59 9.110 14.510 0.482 1.00 0.00 H new ATOM 0 HD21 ASN C 59 6.108 15.126 2.363 1.00 0.00 H new ATOM 0 HD22 ASN C 59 7.874 15.180 2.343 1.00 0.00 H new ATOM 802 N TYR C 60 10.509 17.262 0.203 1.00 0.00 N ATOM 803 CA TYR C 60 11.155 18.156 1.205 1.00 0.00 C ATOM 804 C TYR C 60 11.418 19.524 0.576 1.00 0.00 C ATOM 805 O TYR C 60 12.231 20.290 1.055 1.00 0.00 O ATOM 806 CB TYR C 60 12.484 17.544 1.657 1.00 0.00 C ATOM 807 CG TYR C 60 12.239 16.205 2.363 1.00 0.00 C ATOM 808 CD1 TYR C 60 10.955 15.744 2.586 1.00 0.00 C ATOM 809 CD2 TYR C 60 13.305 15.439 2.790 1.00 0.00 C ATOM 810 CE1 TYR C 60 10.744 14.539 3.226 1.00 0.00 C ATOM 811 CE2 TYR C 60 13.092 14.234 3.430 1.00 0.00 C ATOM 812 CZ TYR C 60 11.811 13.775 3.652 1.00 0.00 C ATOM 813 OH TYR C 60 11.599 12.573 4.294 1.00 0.00 O ATOM 0 H TYR C 60 11.145 16.828 -0.466 1.00 0.00 H new ATOM 0 HA TYR C 60 10.494 18.270 2.064 1.00 0.00 H new ATOM 0 HB2 TYR C 60 13.135 17.395 0.796 1.00 0.00 H new ATOM 0 HB3 TYR C 60 12.998 18.230 2.331 1.00 0.00 H new ATOM 0 HD1 TYR C 60 10.110 16.331 2.257 1.00 0.00 H new ATOM 0 HD2 TYR C 60 14.314 15.785 2.622 1.00 0.00 H new ATOM 0 HE1 TYR C 60 9.735 14.192 3.395 1.00 0.00 H new ATOM 0 HE2 TYR C 60 13.936 13.646 3.759 1.00 0.00 H new ATOM 0 HH TYR C 60 10.651 12.489 4.526 1.00 0.00 H new ATOM 823 N VAL C 61 10.741 19.840 -0.494 1.00 0.00 N ATOM 824 CA VAL C 61 10.959 21.162 -1.147 1.00 0.00 C ATOM 825 C VAL C 61 9.680 21.599 -1.861 1.00 0.00 C ATOM 826 O VAL C 61 8.762 20.826 -2.051 1.00 0.00 O ATOM 827 CB VAL C 61 12.107 21.047 -2.158 1.00 0.00 C ATOM 828 CG1 VAL C 61 11.981 19.733 -2.931 1.00 0.00 C ATOM 829 CG2 VAL C 61 12.069 22.219 -3.142 1.00 0.00 C ATOM 0 H VAL C 61 10.048 19.242 -0.943 1.00 0.00 H new ATOM 0 HA VAL C 61 11.217 21.904 -0.392 1.00 0.00 H new ATOM 0 HB VAL C 61 13.053 21.067 -1.617 1.00 0.00 H new ATOM 0 HG11 VAL C 61 12.798 19.653 -3.649 1.00 0.00 H new ATOM 0 HG12 VAL C 61 12.027 18.896 -2.235 1.00 0.00 H new ATOM 0 HG13 VAL C 61 11.029 19.713 -3.461 1.00 0.00 H new ATOM 0 HG21 VAL C 61 12.890 22.124 -3.853 1.00 0.00 H new ATOM 0 HG22 VAL C 61 11.121 22.212 -3.679 1.00 0.00 H new ATOM 0 HG23 VAL C 61 12.170 23.157 -2.595 1.00 0.00 H new ATOM 839 N ALA C 62 9.619 22.839 -2.258 1.00 0.00 N ATOM 840 CA ALA C 62 8.406 23.343 -2.961 1.00 0.00 C ATOM 841 C ALA C 62 8.780 24.562 -3.812 1.00 0.00 C ATOM 842 O ALA C 62 9.663 25.316 -3.455 1.00 0.00 O ATOM 843 CB ALA C 62 7.348 23.747 -1.931 1.00 0.00 C ATOM 0 H ALA C 62 10.360 23.528 -2.126 1.00 0.00 H new ATOM 0 HA ALA C 62 8.006 22.558 -3.603 1.00 0.00 H new ATOM 0 HB1 ALA C 62 6.461 24.116 -2.446 1.00 0.00 H new ATOM 0 HB2 ALA C 62 7.082 22.882 -1.324 1.00 0.00 H new ATOM 0 HB3 ALA C 62 7.747 24.532 -1.288 1.00 0.00 H new ATOM 849 N PRO C 63 8.092 24.718 -4.916 1.00 0.00 N ATOM 850 CA PRO C 63 8.334 25.840 -5.839 1.00 0.00 C ATOM 851 C PRO C 63 8.080 27.173 -5.130 1.00 0.00 C ATOM 852 O PRO C 63 7.178 27.298 -4.327 1.00 0.00 O ATOM 853 CB PRO C 63 7.327 25.636 -6.980 1.00 0.00 C ATOM 854 CG PRO C 63 6.510 24.356 -6.663 1.00 0.00 C ATOM 855 CD PRO C 63 7.022 23.791 -5.329 1.00 0.00 C ATOM 0 HA PRO C 63 9.362 25.865 -6.200 1.00 0.00 H new ATOM 0 HB2 PRO C 63 6.667 26.499 -7.067 1.00 0.00 H new ATOM 0 HB3 PRO C 63 7.845 25.533 -7.934 1.00 0.00 H new ATOM 0 HG2 PRO C 63 5.447 24.588 -6.597 1.00 0.00 H new ATOM 0 HG3 PRO C 63 6.627 23.621 -7.459 1.00 0.00 H new ATOM 0 HD2 PRO C 63 6.226 23.748 -4.585 1.00 0.00 H new ATOM 0 HD3 PRO C 63 7.401 22.776 -5.448 1.00 0.00 H new ATOM 863 N SER C 64 8.871 28.170 -5.422 1.00 0.00 N ATOM 864 CA SER C 64 8.676 29.493 -4.765 1.00 0.00 C ATOM 865 C SER C 64 7.721 30.344 -5.605 1.00 0.00 C ATOM 866 O SER C 64 6.868 30.993 -5.022 1.00 0.00 O ATOM 867 CB SER C 64 10.023 30.207 -4.645 1.00 0.00 C ATOM 868 OG SER C 64 10.348 30.817 -5.885 1.00 0.00 O ATOM 869 OXT SER C 64 7.859 30.331 -6.817 1.00 0.00 O ATOM 0 H SER C 64 9.643 28.125 -6.087 1.00 0.00 H new ATOM 0 HA SER C 64 8.253 29.346 -3.771 1.00 0.00 H new ATOM 0 HB2 SER C 64 9.979 30.960 -3.858 1.00 0.00 H new ATOM 0 HB3 SER C 64 10.800 29.496 -4.363 1.00 0.00 H new ATOM 0 HG SER C 64 11.210 31.276 -5.808 1.00 0.00 H new TER 875 SER C 64 ATOM 876 N ALA A 71 6.392 17.295 12.158 1.00 0.00 N ATOM 877 CA ALA A 71 7.772 17.627 12.611 1.00 0.00 C ATOM 878 C ALA A 71 8.779 16.743 11.871 1.00 0.00 C ATOM 879 O ALA A 71 9.256 17.087 10.808 1.00 0.00 O ATOM 880 CB ALA A 71 7.889 17.383 14.117 1.00 0.00 C ATOM 0 HA ALA A 71 7.982 18.675 12.396 1.00 0.00 H new ATOM 0 HB1 ALA A 71 8.899 17.626 14.448 1.00 0.00 H new ATOM 0 HB2 ALA A 71 7.173 18.013 14.644 1.00 0.00 H new ATOM 0 HB3 ALA A 71 7.679 16.336 14.333 1.00 0.00 H new ATOM 888 N PHE A 72 9.105 15.608 12.425 1.00 0.00 N ATOM 889 CA PHE A 72 10.080 14.705 11.751 1.00 0.00 C ATOM 890 C PHE A 72 9.655 14.492 10.298 1.00 0.00 C ATOM 891 O PHE A 72 8.483 14.502 9.976 1.00 0.00 O ATOM 892 CB PHE A 72 10.113 13.358 12.476 1.00 0.00 C ATOM 893 CG PHE A 72 11.250 13.360 13.500 1.00 0.00 C ATOM 894 CD1 PHE A 72 11.222 14.227 14.577 1.00 0.00 C ATOM 895 CD2 PHE A 72 12.321 12.496 13.360 1.00 0.00 C ATOM 896 CE1 PHE A 72 12.248 14.230 15.499 1.00 0.00 C ATOM 897 CE2 PHE A 72 13.348 12.500 14.282 1.00 0.00 C ATOM 898 CZ PHE A 72 13.311 13.367 15.352 1.00 0.00 C ATOM 0 H PHE A 72 8.739 15.267 13.314 1.00 0.00 H new ATOM 0 HA PHE A 72 11.072 15.156 11.777 1.00 0.00 H new ATOM 0 HB2 PHE A 72 9.160 13.177 12.974 1.00 0.00 H new ATOM 0 HB3 PHE A 72 10.256 12.550 11.759 1.00 0.00 H new ATOM 0 HD1 PHE A 72 10.391 14.906 14.697 1.00 0.00 H new ATOM 0 HD2 PHE A 72 12.354 11.814 12.524 1.00 0.00 H new ATOM 0 HE1 PHE A 72 12.218 14.910 16.337 1.00 0.00 H new ATOM 0 HE2 PHE A 72 14.181 11.823 14.165 1.00 0.00 H new ATOM 0 HZ PHE A 72 14.114 13.370 16.074 1.00 0.00 H new ATOM 908 N ALA A 73 10.596 14.301 9.415 1.00 0.00 N ATOM 909 CA ALA A 73 10.241 14.089 7.985 1.00 0.00 C ATOM 910 C ALA A 73 9.931 12.605 7.750 1.00 0.00 C ATOM 911 O ALA A 73 10.622 11.746 8.263 1.00 0.00 O ATOM 912 CB ALA A 73 11.417 14.510 7.100 1.00 0.00 C ATOM 0 H ALA A 73 11.595 14.283 9.622 1.00 0.00 H new ATOM 0 HA ALA A 73 9.365 14.688 7.735 1.00 0.00 H new ATOM 0 HB1 ALA A 73 11.158 14.355 6.053 1.00 0.00 H new ATOM 0 HB2 ALA A 73 11.639 15.564 7.267 1.00 0.00 H new ATOM 0 HB3 ALA A 73 12.293 13.911 7.350 1.00 0.00 H new ATOM 918 N PRO A 74 8.901 12.345 6.982 1.00 0.00 N ATOM 919 CA PRO A 74 8.486 10.966 6.670 1.00 0.00 C ATOM 920 C PRO A 74 9.612 10.226 5.935 1.00 0.00 C ATOM 921 O PRO A 74 10.541 10.840 5.450 1.00 0.00 O ATOM 922 CB PRO A 74 7.258 11.120 5.762 1.00 0.00 C ATOM 923 CG PRO A 74 6.992 12.637 5.583 1.00 0.00 C ATOM 924 CD PRO A 74 8.071 13.397 6.369 1.00 0.00 C ATOM 0 HA PRO A 74 8.261 10.388 7.566 1.00 0.00 H new ATOM 0 HB2 PRO A 74 7.434 10.646 4.796 1.00 0.00 H new ATOM 0 HB3 PRO A 74 6.391 10.629 6.204 1.00 0.00 H new ATOM 0 HG2 PRO A 74 7.025 12.909 4.528 1.00 0.00 H new ATOM 0 HG3 PRO A 74 5.998 12.897 5.949 1.00 0.00 H new ATOM 0 HD2 PRO A 74 8.663 14.035 5.713 1.00 0.00 H new ATOM 0 HD3 PRO A 74 7.627 14.043 7.127 1.00 0.00 H new ATOM 932 N PRO A 75 9.490 8.923 5.877 1.00 0.00 N ATOM 933 CA PRO A 75 10.487 8.071 5.206 1.00 0.00 C ATOM 934 C PRO A 75 10.582 8.434 3.721 1.00 0.00 C ATOM 935 O PRO A 75 9.593 8.467 3.016 1.00 0.00 O ATOM 936 CB PRO A 75 9.962 6.639 5.378 1.00 0.00 C ATOM 937 CG PRO A 75 8.625 6.719 6.161 1.00 0.00 C ATOM 938 CD PRO A 75 8.353 8.199 6.474 1.00 0.00 C ATOM 0 HA PRO A 75 11.486 8.194 5.626 1.00 0.00 H new ATOM 0 HB2 PRO A 75 9.809 6.168 4.407 1.00 0.00 H new ATOM 0 HB3 PRO A 75 10.686 6.028 5.918 1.00 0.00 H new ATOM 0 HG2 PRO A 75 7.811 6.297 5.571 1.00 0.00 H new ATOM 0 HG3 PRO A 75 8.686 6.139 7.082 1.00 0.00 H new ATOM 0 HD2 PRO A 75 7.406 8.527 6.045 1.00 0.00 H new ATOM 0 HD3 PRO A 75 8.294 8.372 7.549 1.00 0.00 H new ATOM 946 N LEU A 76 11.765 8.707 3.242 1.00 0.00 N ATOM 947 CA LEU A 76 11.922 9.068 1.805 1.00 0.00 C ATOM 948 C LEU A 76 11.330 7.958 0.931 1.00 0.00 C ATOM 949 O LEU A 76 11.252 6.819 1.346 1.00 0.00 O ATOM 950 CB LEU A 76 13.408 9.232 1.481 1.00 0.00 C ATOM 951 CG LEU A 76 14.019 10.286 2.405 1.00 0.00 C ATOM 952 CD1 LEU A 76 15.518 10.020 2.560 1.00 0.00 C ATOM 953 CD2 LEU A 76 13.808 11.677 1.802 1.00 0.00 C ATOM 0 H LEU A 76 12.629 8.696 3.784 1.00 0.00 H new ATOM 0 HA LEU A 76 11.400 10.004 1.607 1.00 0.00 H new ATOM 0 HB2 LEU A 76 13.925 8.281 1.605 1.00 0.00 H new ATOM 0 HB3 LEU A 76 13.533 9.529 0.440 1.00 0.00 H new ATOM 0 HG LEU A 76 13.538 10.236 3.382 1.00 0.00 H new ATOM 0 HD11 LEU A 76 15.955 10.771 3.219 1.00 0.00 H new ATOM 0 HD12 LEU A 76 15.669 9.029 2.989 1.00 0.00 H new ATOM 0 HD13 LEU A 76 15.999 10.070 1.583 1.00 0.00 H new ATOM 0 HD21 LEU A 76 14.243 12.429 2.460 1.00 0.00 H new ATOM 0 HD22 LEU A 76 14.290 11.727 0.825 1.00 0.00 H new ATOM 0 HD23 LEU A 76 12.741 11.867 1.690 1.00 0.00 H new ATOM 965 N PRO A 77 10.927 8.328 -0.260 1.00 0.00 N ATOM 966 CA PRO A 77 10.335 7.377 -1.217 1.00 0.00 C ATOM 967 C PRO A 77 11.346 6.280 -1.564 1.00 0.00 C ATOM 968 O PRO A 77 12.479 6.308 -1.130 1.00 0.00 O ATOM 969 CB PRO A 77 10.005 8.221 -2.456 1.00 0.00 C ATOM 970 CG PRO A 77 10.429 9.683 -2.158 1.00 0.00 C ATOM 971 CD PRO A 77 11.028 9.717 -0.742 1.00 0.00 C ATOM 0 HA PRO A 77 9.453 6.878 -0.817 1.00 0.00 H new ATOM 0 HB2 PRO A 77 10.534 7.840 -3.330 1.00 0.00 H new ATOM 0 HB3 PRO A 77 8.940 8.170 -2.681 1.00 0.00 H new ATOM 0 HG2 PRO A 77 11.160 10.026 -2.891 1.00 0.00 H new ATOM 0 HG3 PRO A 77 9.571 10.352 -2.226 1.00 0.00 H new ATOM 0 HD2 PRO A 77 12.064 10.056 -0.758 1.00 0.00 H new ATOM 0 HD3 PRO A 77 10.478 10.401 -0.096 1.00 0.00 H new ATOM 979 N ARG A 78 10.943 5.314 -2.343 1.00 0.00 N ATOM 980 CA ARG A 78 11.881 4.219 -2.716 1.00 0.00 C ATOM 981 C ARG A 78 12.783 4.686 -3.861 1.00 0.00 C ATOM 982 O ARG A 78 12.579 4.336 -5.006 1.00 0.00 O ATOM 983 CB ARG A 78 11.082 2.993 -3.164 1.00 0.00 C ATOM 984 CG ARG A 78 10.752 2.127 -1.947 1.00 0.00 C ATOM 985 CD ARG A 78 11.580 0.842 -1.996 1.00 0.00 C ATOM 986 NE ARG A 78 11.776 0.323 -0.612 1.00 0.00 N ATOM 987 CZ ARG A 78 12.159 -0.911 -0.422 1.00 0.00 C ATOM 988 NH1 ARG A 78 12.373 -1.697 -1.444 1.00 0.00 N ATOM 989 NH2 ARG A 78 12.330 -1.360 0.791 1.00 0.00 N ATOM 0 H ARG A 78 10.005 5.236 -2.737 1.00 0.00 H new ATOM 0 HA ARG A 78 12.495 3.958 -1.854 1.00 0.00 H new ATOM 0 HB2 ARG A 78 10.164 3.306 -3.661 1.00 0.00 H new ATOM 0 HB3 ARG A 78 11.656 2.416 -3.889 1.00 0.00 H new ATOM 0 HG2 ARG A 78 10.965 2.675 -1.029 1.00 0.00 H new ATOM 0 HG3 ARG A 78 9.689 1.887 -1.936 1.00 0.00 H new ATOM 0 HD2 ARG A 78 11.075 0.095 -2.608 1.00 0.00 H new ATOM 0 HD3 ARG A 78 12.546 1.037 -2.463 1.00 0.00 H new ATOM 0 HE ARG A 78 11.611 0.933 0.188 1.00 0.00 H new ATOM 0 HH11 ARG A 78 12.241 -1.347 -2.393 1.00 0.00 H new ATOM 0 HH12 ARG A 78 12.672 -2.660 -1.293 1.00 0.00 H new ATOM 0 HH21 ARG A 78 12.165 -0.747 1.590 1.00 0.00 H new ATOM 0 HH22 ARG A 78 12.629 -2.324 0.941 1.00 0.00 H new ATOM 1003 N ARG A 79 13.777 5.477 -3.561 1.00 0.00 N ATOM 1004 CA ARG A 79 14.689 5.966 -4.633 1.00 0.00 C ATOM 1005 C ARG A 79 15.374 4.773 -5.304 1.00 0.00 C ATOM 1006 O ARG A 79 15.576 4.832 -6.506 1.00 0.00 O ATOM 1007 CB ARG A 79 15.749 6.885 -4.022 1.00 0.00 C ATOM 1008 CG ARG A 79 16.746 7.303 -5.104 1.00 0.00 C ATOM 1009 CD ARG A 79 17.966 6.379 -5.058 1.00 0.00 C ATOM 1010 NE ARG A 79 18.715 6.608 -3.790 1.00 0.00 N ATOM 1011 CZ ARG A 79 19.469 7.666 -3.656 1.00 0.00 C ATOM 1012 NH1 ARG A 79 19.571 8.530 -4.631 1.00 0.00 N ATOM 1013 NH2 ARG A 79 20.123 7.862 -2.544 1.00 0.00 N ATOM 1014 OXT ARG A 79 15.682 3.823 -4.605 1.00 0.00 O ATOM 0 H ARG A 79 13.997 5.805 -2.621 1.00 0.00 H new ATOM 0 HA ARG A 79 14.113 6.519 -5.375 1.00 0.00 H new ATOM 0 HB2 ARG A 79 15.276 7.766 -3.589 1.00 0.00 H new ATOM 0 HB3 ARG A 79 16.268 6.371 -3.213 1.00 0.00 H new ATOM 0 HG2 ARG A 79 16.275 7.253 -6.086 1.00 0.00 H new ATOM 0 HG3 ARG A 79 17.054 8.337 -4.950 1.00 0.00 H new ATOM 0 HD2 ARG A 79 17.650 5.338 -5.123 1.00 0.00 H new ATOM 0 HD3 ARG A 79 18.613 6.570 -5.914 1.00 0.00 H new ATOM 0 HE ARG A 79 18.639 5.937 -3.025 1.00 0.00 H new ATOM 0 HH11 ARG A 79 19.061 8.380 -5.501 1.00 0.00 H new ATOM 0 HH12 ARG A 79 20.161 9.355 -4.522 1.00 0.00 H new ATOM 0 HH21 ARG A 79 20.045 7.189 -1.781 1.00 0.00 H new ATOM 0 HH22 ARG A 79 20.712 8.688 -2.438 1.00 0.00 H new TER 1028 ARG A 79