USER MOD reduce.3.24.130724 H: found=0, std=0, add=475, rem=0, adj=22 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 20 THR OG1 : rot -115:sc= 0.788 USER MOD Set 1.2: C 22 THR OG1 : rot 180:sc= 1.03 USER MOD Set 2.1: C 16 TYR OH : rot 180:sc= 0.0508 USER MOD Set 2.2: C 18 SER OG : rot 100:sc= 0.0515 USER MOD Single : C 9 THR OG1 : rot 0:sc= 0.816 USER MOD Single : C 14 TYR OH : rot 180:sc= 0 USER MOD Single : C 25 SER OG : rot 180:sc= 0.0319 USER MOD Single : C 27 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.037) USER MOD Single : C 28 LYS NZ :NH3+ -165:sc= 0 (180deg=-0.159) USER MOD Single : C 33 GLN : amide:sc= -0.0428 X(o=-0.043,f=-0.25) USER MOD Single : C 36 ASN :FLIP amide:sc= -1.53 F(o=-2.7!,f=-1.5) USER MOD Single : C 37 ASN :FLIP amide:sc= -0.0102 F(o=-1.3,f=-0.01) USER MOD Single : C 38 THR OG1 : rot -41:sc= 1.18 USER MOD Single : C 46 HIS :FLIP no HE2:sc= -3.98! C(o=-5.7!,f=-4!) USER MOD Single : C 47 SER OG : rot 180:sc= 0 USER MOD Single : C 49 THR OG1 : rot 180:sc= 0.0839 USER MOD Single : C 50 THR OG1 : rot 180:sc= 0.0908 USER MOD Single : C 52 GLN : amide:sc= 0 X(o=0,f=0) 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 180:sc= 0 USER MOD Single : C 59 ASN :FLIP amide:sc= -6.58! C(o=-13!,f=-6.6!) USER MOD Single : C 60 TYR OH : rot -130:sc= -1.05! USER MOD Single : C 64 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N THR C 9 5.069 2.711 -25.495 1.00 0.00 N ATOM 2 CA THR C 9 3.741 3.170 -24.997 1.00 0.00 C ATOM 3 C THR C 9 3.362 2.372 -23.748 1.00 0.00 C ATOM 4 O THR C 9 2.539 1.479 -23.795 1.00 0.00 O ATOM 5 CB THR C 9 2.686 2.951 -26.084 1.00 0.00 C ATOM 6 OG1 THR C 9 3.328 2.580 -27.296 1.00 0.00 O ATOM 7 CG2 THR C 9 1.893 4.242 -26.296 1.00 0.00 C ATOM 0 HA THR C 9 3.791 4.230 -24.749 1.00 0.00 H new ATOM 0 HB THR C 9 2.005 2.157 -25.776 1.00 0.00 H new ATOM 0 HG1 THR C 9 4.297 2.545 -27.155 1.00 0.00 H new ATOM 0 HG21 THR C 9 1.142 4.085 -27.070 1.00 0.00 H new ATOM 0 HG22 THR C 9 1.401 4.524 -25.365 1.00 0.00 H new ATOM 0 HG23 THR C 9 2.570 5.039 -26.604 1.00 0.00 H new ATOM 14 N PHE C 10 3.954 2.689 -22.630 1.00 0.00 N ATOM 15 CA PHE C 10 3.628 1.948 -21.377 1.00 0.00 C ATOM 16 C PHE C 10 2.317 2.481 -20.796 1.00 0.00 C ATOM 17 O PHE C 10 1.980 3.636 -20.960 1.00 0.00 O ATOM 18 CB PHE C 10 4.754 2.145 -20.360 1.00 0.00 C ATOM 19 CG PHE C 10 5.779 1.021 -20.508 1.00 0.00 C ATOM 20 CD1 PHE C 10 5.983 0.416 -21.735 1.00 0.00 C ATOM 21 CD2 PHE C 10 6.514 0.594 -19.418 1.00 0.00 C ATOM 22 CE1 PHE C 10 6.908 -0.600 -21.867 1.00 0.00 C ATOM 23 CE2 PHE C 10 7.438 -0.422 -19.551 1.00 0.00 C ATOM 24 CZ PHE C 10 7.635 -1.019 -20.776 1.00 0.00 C ATOM 0 H PHE C 10 4.649 3.429 -22.529 1.00 0.00 H new ATOM 0 HA PHE C 10 3.522 0.886 -21.600 1.00 0.00 H new ATOM 0 HB2 PHE C 10 5.234 3.111 -20.516 1.00 0.00 H new ATOM 0 HB3 PHE C 10 4.348 2.150 -19.349 1.00 0.00 H new ATOM 0 HD1 PHE C 10 5.415 0.740 -22.595 1.00 0.00 H new ATOM 0 HD2 PHE C 10 6.364 1.059 -18.455 1.00 0.00 H new ATOM 0 HE1 PHE C 10 7.062 -1.067 -22.829 1.00 0.00 H new ATOM 0 HE2 PHE C 10 8.007 -0.749 -18.694 1.00 0.00 H new ATOM 0 HZ PHE C 10 8.358 -1.814 -20.881 1.00 0.00 H new ATOM 34 N VAL C 11 1.577 1.647 -20.118 1.00 0.00 N ATOM 35 CA VAL C 11 0.289 2.109 -19.528 1.00 0.00 C ATOM 36 C VAL C 11 0.348 1.975 -18.005 1.00 0.00 C ATOM 37 O VAL C 11 0.842 0.998 -17.476 1.00 0.00 O ATOM 38 CB VAL C 11 -0.858 1.252 -20.069 1.00 0.00 C ATOM 39 CG1 VAL C 11 -2.191 1.945 -19.778 1.00 0.00 C ATOM 40 CG2 VAL C 11 -0.693 1.077 -21.580 1.00 0.00 C ATOM 0 H VAL C 11 1.808 0.668 -19.947 1.00 0.00 H new ATOM 0 HA VAL C 11 0.122 3.152 -19.796 1.00 0.00 H new ATOM 0 HB VAL C 11 -0.843 0.275 -19.586 1.00 0.00 H new ATOM 0 HG11 VAL C 11 -3.009 1.336 -20.163 1.00 0.00 H new ATOM 0 HG12 VAL C 11 -2.308 2.072 -18.702 1.00 0.00 H new ATOM 0 HG13 VAL C 11 -2.207 2.921 -20.262 1.00 0.00 H new ATOM 0 HG21 VAL C 11 -1.509 0.467 -21.967 1.00 0.00 H new ATOM 0 HG22 VAL C 11 -0.710 2.054 -22.063 1.00 0.00 H new ATOM 0 HG23 VAL C 11 0.257 0.585 -21.788 1.00 0.00 H new ATOM 50 N ALA C 12 -0.153 2.948 -17.296 1.00 0.00 N ATOM 51 CA ALA C 12 -0.126 2.878 -15.808 1.00 0.00 C ATOM 52 C ALA C 12 -1.230 1.936 -15.319 1.00 0.00 C ATOM 53 O ALA C 12 -2.379 2.316 -15.212 1.00 0.00 O ATOM 54 CB ALA C 12 -0.355 4.274 -15.230 1.00 0.00 C ATOM 0 H ALA C 12 -0.580 3.789 -17.683 1.00 0.00 H new ATOM 0 HA ALA C 12 0.843 2.502 -15.480 1.00 0.00 H new ATOM 0 HB1 ALA C 12 -0.336 4.225 -14.141 1.00 0.00 H new ATOM 0 HB2 ALA C 12 0.431 4.945 -15.577 1.00 0.00 H new ATOM 0 HB3 ALA C 12 -1.324 4.650 -15.559 1.00 0.00 H new ATOM 60 N LEU C 13 -0.892 0.711 -15.021 1.00 0.00 N ATOM 61 CA LEU C 13 -1.925 -0.249 -14.539 1.00 0.00 C ATOM 62 C LEU C 13 -2.583 0.297 -13.273 1.00 0.00 C ATOM 63 O LEU C 13 -3.784 0.465 -13.208 1.00 0.00 O ATOM 64 CB LEU C 13 -1.272 -1.595 -14.219 1.00 0.00 C ATOM 65 CG LEU C 13 -0.420 -2.049 -15.404 1.00 0.00 C ATOM 66 CD1 LEU C 13 0.022 -3.497 -15.180 1.00 0.00 C ATOM 67 CD2 LEU C 13 -1.245 -1.960 -16.689 1.00 0.00 C ATOM 0 H LEU C 13 0.053 0.334 -15.090 1.00 0.00 H new ATOM 0 HA LEU C 13 -2.676 -0.382 -15.318 1.00 0.00 H new ATOM 0 HB2 LEU C 13 -0.653 -1.507 -13.326 1.00 0.00 H new ATOM 0 HB3 LEU C 13 -2.038 -2.340 -14.003 1.00 0.00 H new ATOM 0 HG LEU C 13 0.457 -1.408 -15.493 1.00 0.00 H new ATOM 0 HD11 LEU C 13 0.630 -3.826 -16.022 1.00 0.00 H new ATOM 0 HD12 LEU C 13 0.607 -3.561 -14.263 1.00 0.00 H new ATOM 0 HD13 LEU C 13 -0.857 -4.137 -15.095 1.00 0.00 H new ATOM 0 HD21 LEU C 13 -0.638 -2.284 -17.534 1.00 0.00 H new ATOM 0 HD22 LEU C 13 -2.121 -2.603 -16.604 1.00 0.00 H new ATOM 0 HD23 LEU C 13 -1.565 -0.930 -16.845 1.00 0.00 H new ATOM 79 N TYR C 14 -1.805 0.575 -12.262 1.00 0.00 N ATOM 80 CA TYR C 14 -2.392 1.108 -11.001 1.00 0.00 C ATOM 81 C TYR C 14 -2.113 2.610 -10.902 1.00 0.00 C ATOM 82 O TYR C 14 -0.996 3.056 -11.074 1.00 0.00 O ATOM 83 CB TYR C 14 -1.767 0.394 -9.796 1.00 0.00 C ATOM 84 CG TYR C 14 -1.458 -1.066 -10.150 1.00 0.00 C ATOM 85 CD1 TYR C 14 -2.213 -1.744 -11.088 1.00 0.00 C ATOM 86 CD2 TYR C 14 -0.412 -1.724 -9.536 1.00 0.00 C ATOM 87 CE1 TYR C 14 -1.925 -3.056 -11.406 1.00 0.00 C ATOM 88 CE2 TYR C 14 -0.125 -3.036 -9.854 1.00 0.00 C ATOM 89 CZ TYR C 14 -0.879 -3.712 -10.790 1.00 0.00 C ATOM 90 OH TYR C 14 -0.589 -5.023 -11.109 1.00 0.00 O ATOM 0 H TYR C 14 -0.792 0.456 -12.255 1.00 0.00 H new ATOM 0 HA TYR C 14 -3.468 0.935 -11.005 1.00 0.00 H new ATOM 0 HB2 TYR C 14 -0.852 0.905 -9.495 1.00 0.00 H new ATOM 0 HB3 TYR C 14 -2.449 0.434 -8.946 1.00 0.00 H new ATOM 0 HD1 TYR C 14 -3.036 -1.243 -11.577 1.00 0.00 H new ATOM 0 HD2 TYR C 14 0.187 -1.208 -8.800 1.00 0.00 H new ATOM 0 HE1 TYR C 14 -2.523 -3.573 -12.142 1.00 0.00 H new ATOM 0 HE2 TYR C 14 0.697 -3.538 -9.366 1.00 0.00 H new ATOM 0 HH TYR C 14 0.179 -5.326 -10.581 1.00 0.00 H new ATOM 100 N ASP C 15 -3.121 3.393 -10.628 1.00 0.00 N ATOM 101 CA ASP C 15 -2.916 4.862 -10.519 1.00 0.00 C ATOM 102 C ASP C 15 -1.786 5.144 -9.527 1.00 0.00 C ATOM 103 O ASP C 15 -1.720 4.558 -8.464 1.00 0.00 O ATOM 104 CB ASP C 15 -4.206 5.519 -10.027 1.00 0.00 C ATOM 105 CG ASP C 15 -4.902 4.595 -9.025 1.00 0.00 C ATOM 106 OD1 ASP C 15 -4.545 4.640 -7.860 1.00 0.00 O ATOM 107 OD2 ASP C 15 -5.781 3.857 -9.440 1.00 0.00 O ATOM 0 H ASP C 15 -4.078 3.076 -10.475 1.00 0.00 H new ATOM 0 HA ASP C 15 -2.652 5.269 -11.495 1.00 0.00 H new ATOM 0 HB2 ASP C 15 -3.982 6.478 -9.559 1.00 0.00 H new ATOM 0 HB3 ASP C 15 -4.867 5.722 -10.870 1.00 0.00 H new ATOM 112 N TYR C 16 -0.896 6.036 -9.863 1.00 0.00 N ATOM 113 CA TYR C 16 0.228 6.353 -8.938 1.00 0.00 C ATOM 114 C TYR C 16 -0.018 7.712 -8.282 1.00 0.00 C ATOM 115 O TYR C 16 0.008 8.739 -8.931 1.00 0.00 O ATOM 116 CB TYR C 16 1.537 6.395 -9.728 1.00 0.00 C ATOM 117 CG TYR C 16 2.703 6.711 -8.786 1.00 0.00 C ATOM 118 CD1 TYR C 16 2.606 6.449 -7.435 1.00 0.00 C ATOM 119 CD2 TYR C 16 3.871 7.254 -9.281 1.00 0.00 C ATOM 120 CE1 TYR C 16 3.663 6.723 -6.591 1.00 0.00 C ATOM 121 CE2 TYR C 16 4.928 7.529 -8.437 1.00 0.00 C ATOM 122 CZ TYR C 16 4.831 7.267 -7.086 1.00 0.00 C ATOM 123 OH TYR C 16 5.886 7.546 -6.241 1.00 0.00 O ATOM 0 H TYR C 16 -0.898 6.559 -10.738 1.00 0.00 H new ATOM 0 HA TYR C 16 0.293 5.586 -8.166 1.00 0.00 H new ATOM 0 HB2 TYR C 16 1.705 5.438 -10.221 1.00 0.00 H new ATOM 0 HB3 TYR C 16 1.475 7.151 -10.511 1.00 0.00 H new ATOM 0 HD1 TYR C 16 1.696 6.026 -7.035 1.00 0.00 H new ATOM 0 HD2 TYR C 16 3.959 7.465 -10.336 1.00 0.00 H new ATOM 0 HE1 TYR C 16 3.576 6.510 -5.536 1.00 0.00 H new ATOM 0 HE2 TYR C 16 5.837 7.952 -8.837 1.00 0.00 H new ATOM 0 HH TYR C 16 6.628 7.924 -6.758 1.00 0.00 H new ATOM 133 N GLU C 17 -0.259 7.724 -6.999 1.00 0.00 N ATOM 134 CA GLU C 17 -0.507 9.014 -6.296 1.00 0.00 C ATOM 135 C GLU C 17 0.638 9.292 -5.320 1.00 0.00 C ATOM 136 O GLU C 17 0.453 9.304 -4.119 1.00 0.00 O ATOM 137 CB GLU C 17 -1.824 8.930 -5.522 1.00 0.00 C ATOM 138 CG GLU C 17 -1.991 7.520 -4.951 1.00 0.00 C ATOM 139 CD GLU C 17 -2.746 7.595 -3.622 1.00 0.00 C ATOM 140 OE1 GLU C 17 -2.447 8.485 -2.842 1.00 0.00 O ATOM 141 OE2 GLU C 17 -3.612 6.762 -3.406 1.00 0.00 O ATOM 0 H GLU C 17 -0.295 6.894 -6.407 1.00 0.00 H new ATOM 0 HA GLU C 17 -0.566 9.819 -7.028 1.00 0.00 H new ATOM 0 HB2 GLU C 17 -1.832 9.664 -4.716 1.00 0.00 H new ATOM 0 HB3 GLU C 17 -2.660 9.169 -6.179 1.00 0.00 H new ATOM 0 HG2 GLU C 17 -2.536 6.892 -5.656 1.00 0.00 H new ATOM 0 HG3 GLU C 17 -1.015 7.058 -4.802 1.00 0.00 H new ATOM 148 N SER C 18 1.821 9.515 -5.825 1.00 0.00 N ATOM 149 CA SER C 18 2.974 9.791 -4.924 1.00 0.00 C ATOM 150 C SER C 18 2.592 10.891 -3.930 1.00 0.00 C ATOM 151 O SER C 18 1.666 11.645 -4.152 1.00 0.00 O ATOM 152 CB SER C 18 4.173 10.249 -5.756 1.00 0.00 C ATOM 153 OG SER C 18 5.328 10.306 -4.932 1.00 0.00 O ATOM 0 H SER C 18 2.038 9.518 -6.822 1.00 0.00 H new ATOM 0 HA SER C 18 3.235 8.884 -4.379 1.00 0.00 H new ATOM 0 HB2 SER C 18 4.338 9.560 -6.585 1.00 0.00 H new ATOM 0 HB3 SER C 18 3.975 11.229 -6.190 1.00 0.00 H new ATOM 0 HG SER C 18 5.871 9.502 -5.073 1.00 0.00 H new ATOM 159 N ARG C 19 3.297 10.988 -2.835 1.00 0.00 N ATOM 160 CA ARG C 19 2.971 12.039 -1.832 1.00 0.00 C ATOM 161 C ARG C 19 4.138 13.022 -1.727 1.00 0.00 C ATOM 162 O ARG C 19 4.308 13.696 -0.729 1.00 0.00 O ATOM 163 CB ARG C 19 2.727 11.388 -0.470 1.00 0.00 C ATOM 164 CG ARG C 19 1.999 10.057 -0.663 1.00 0.00 C ATOM 165 CD ARG C 19 2.926 8.907 -0.264 1.00 0.00 C ATOM 166 NE ARG C 19 2.779 8.635 1.194 1.00 0.00 N ATOM 167 CZ ARG C 19 3.547 7.753 1.777 1.00 0.00 C ATOM 168 NH1 ARG C 19 4.447 7.107 1.087 1.00 0.00 N ATOM 169 NH2 ARG C 19 3.414 7.519 3.054 1.00 0.00 N ATOM 0 H ARG C 19 4.083 10.385 -2.593 1.00 0.00 H new ATOM 0 HA ARG C 19 2.073 12.573 -2.144 1.00 0.00 H new ATOM 0 HB2 ARG C 19 3.675 11.225 0.042 1.00 0.00 H new ATOM 0 HB3 ARG C 19 2.134 12.051 0.161 1.00 0.00 H new ATOM 0 HG2 ARG C 19 1.093 10.035 -0.058 1.00 0.00 H new ATOM 0 HG3 ARG C 19 1.691 9.946 -1.703 1.00 0.00 H new ATOM 0 HD2 ARG C 19 2.682 8.013 -0.838 1.00 0.00 H new ATOM 0 HD3 ARG C 19 3.960 9.162 -0.495 1.00 0.00 H new ATOM 0 HE ARG C 19 2.078 9.138 1.738 1.00 0.00 H new ATOM 0 HH11 ARG C 19 4.553 7.290 0.089 1.00 0.00 H new ATOM 0 HH12 ARG C 19 5.045 6.419 1.546 1.00 0.00 H new ATOM 0 HH21 ARG C 19 2.712 8.024 3.595 1.00 0.00 H new ATOM 0 HH22 ARG C 19 4.012 6.831 3.511 1.00 0.00 H new ATOM 183 N THR C 20 4.946 13.112 -2.747 1.00 0.00 N ATOM 184 CA THR C 20 6.102 14.051 -2.705 1.00 0.00 C ATOM 185 C THR C 20 6.367 14.594 -4.110 1.00 0.00 C ATOM 186 O THR C 20 5.925 14.036 -5.095 1.00 0.00 O ATOM 187 CB THR C 20 7.344 13.312 -2.201 1.00 0.00 C ATOM 188 OG1 THR C 20 8.507 14.043 -2.563 1.00 0.00 O ATOM 189 CG2 THR C 20 7.400 11.918 -2.827 1.00 0.00 C ATOM 0 H THR C 20 4.855 12.575 -3.609 1.00 0.00 H new ATOM 0 HA THR C 20 5.874 14.877 -2.032 1.00 0.00 H new ATOM 0 HB THR C 20 7.296 13.218 -1.116 1.00 0.00 H new ATOM 0 HG1 THR C 20 9.038 13.519 -3.198 1.00 0.00 H new ATOM 0 HG21 THR C 20 8.285 11.393 -2.467 1.00 0.00 H new ATOM 0 HG22 THR C 20 6.507 11.358 -2.548 1.00 0.00 H new ATOM 0 HG23 THR C 20 7.448 12.008 -3.912 1.00 0.00 H new ATOM 197 N GLU C 21 7.084 15.679 -4.213 1.00 0.00 N ATOM 198 CA GLU C 21 7.376 16.254 -5.555 1.00 0.00 C ATOM 199 C GLU C 21 8.114 15.220 -6.404 1.00 0.00 C ATOM 200 O GLU C 21 7.817 15.026 -7.565 1.00 0.00 O ATOM 201 CB GLU C 21 8.249 17.501 -5.397 1.00 0.00 C ATOM 202 CG GLU C 21 8.662 18.012 -6.778 1.00 0.00 C ATOM 203 CD GLU C 21 10.178 17.879 -6.938 1.00 0.00 C ATOM 204 OE1 GLU C 21 10.879 18.099 -5.963 1.00 0.00 O ATOM 205 OE2 GLU C 21 10.613 17.561 -8.032 1.00 0.00 O ATOM 0 H GLU C 21 7.480 16.192 -3.425 1.00 0.00 H new ATOM 0 HA GLU C 21 6.441 16.525 -6.045 1.00 0.00 H new ATOM 0 HB2 GLU C 21 7.702 18.275 -4.860 1.00 0.00 H new ATOM 0 HB3 GLU C 21 9.133 17.266 -4.805 1.00 0.00 H new ATOM 0 HG2 GLU C 21 8.152 17.443 -7.556 1.00 0.00 H new ATOM 0 HG3 GLU C 21 8.363 19.053 -6.897 1.00 0.00 H new ATOM 212 N THR C 22 9.076 14.555 -5.829 1.00 0.00 N ATOM 213 CA THR C 22 9.838 13.530 -6.598 1.00 0.00 C ATOM 214 C THR C 22 8.861 12.567 -7.277 1.00 0.00 C ATOM 215 O THR C 22 7.857 12.185 -6.709 1.00 0.00 O ATOM 216 CB THR C 22 10.747 12.745 -5.649 1.00 0.00 C ATOM 217 OG1 THR C 22 10.431 13.078 -4.304 1.00 0.00 O ATOM 218 CG2 THR C 22 12.209 13.092 -5.932 1.00 0.00 C ATOM 0 H THR C 22 9.368 14.676 -4.859 1.00 0.00 H new ATOM 0 HA THR C 22 10.445 14.027 -7.355 1.00 0.00 H new ATOM 0 HB THR C 22 10.594 11.677 -5.804 1.00 0.00 H new ATOM 0 HG1 THR C 22 11.012 12.574 -3.697 1.00 0.00 H new ATOM 0 HG21 THR C 22 12.854 12.532 -5.255 1.00 0.00 H new ATOM 0 HG22 THR C 22 12.452 12.832 -6.962 1.00 0.00 H new ATOM 0 HG23 THR C 22 12.365 14.160 -5.781 1.00 0.00 H new ATOM 226 N ASP C 23 9.149 12.172 -8.486 1.00 0.00 N ATOM 227 CA ASP C 23 8.242 11.236 -9.203 1.00 0.00 C ATOM 228 C ASP C 23 6.858 11.874 -9.358 1.00 0.00 C ATOM 229 O ASP C 23 6.261 12.321 -8.400 1.00 0.00 O ATOM 230 CB ASP C 23 8.113 9.951 -8.386 1.00 0.00 C ATOM 231 CG ASP C 23 9.503 9.414 -8.040 1.00 0.00 C ATOM 232 OD1 ASP C 23 10.352 10.213 -7.680 1.00 0.00 O ATOM 233 OD2 ASP C 23 9.694 8.213 -8.138 1.00 0.00 O ATOM 0 H ASP C 23 9.976 12.459 -9.009 1.00 0.00 H new ATOM 0 HA ASP C 23 8.650 11.015 -10.190 1.00 0.00 H new ATOM 0 HB2 ASP C 23 7.551 10.145 -7.473 1.00 0.00 H new ATOM 0 HB3 ASP C 23 7.555 9.204 -8.951 1.00 0.00 H new ATOM 238 N LEU C 24 6.341 11.919 -10.556 1.00 0.00 N ATOM 239 CA LEU C 24 4.996 12.528 -10.758 1.00 0.00 C ATOM 240 C LEU C 24 3.930 11.448 -10.569 1.00 0.00 C ATOM 241 O LEU C 24 4.190 10.272 -10.728 1.00 0.00 O ATOM 242 CB LEU C 24 4.883 13.105 -12.172 1.00 0.00 C ATOM 243 CG LEU C 24 6.166 13.856 -12.533 1.00 0.00 C ATOM 244 CD1 LEU C 24 6.140 14.214 -14.021 1.00 0.00 C ATOM 245 CD2 LEU C 24 6.266 15.139 -11.709 1.00 0.00 C ATOM 0 H LEU C 24 6.790 11.562 -11.400 1.00 0.00 H new ATOM 0 HA LEU C 24 4.853 13.331 -10.035 1.00 0.00 H new ATOM 0 HB2 LEU C 24 4.707 12.303 -12.888 1.00 0.00 H new ATOM 0 HB3 LEU C 24 4.028 13.779 -12.232 1.00 0.00 H new ATOM 0 HG LEU C 24 7.026 13.222 -12.319 1.00 0.00 H new ATOM 0 HD11 LEU C 24 7.053 14.749 -14.282 1.00 0.00 H new ATOM 0 HD12 LEU C 24 6.072 13.302 -14.614 1.00 0.00 H new ATOM 0 HD13 LEU C 24 5.277 14.846 -14.228 1.00 0.00 H new ATOM 0 HD21 LEU C 24 7.182 15.669 -11.971 1.00 0.00 H new ATOM 0 HD22 LEU C 24 5.406 15.775 -11.920 1.00 0.00 H new ATOM 0 HD23 LEU C 24 6.282 14.890 -10.648 1.00 0.00 H new ATOM 257 N SER C 25 2.731 11.834 -10.232 1.00 0.00 N ATOM 258 CA SER C 25 1.655 10.822 -10.035 1.00 0.00 C ATOM 259 C SER C 25 0.802 10.732 -11.302 1.00 0.00 C ATOM 260 O SER C 25 0.499 11.729 -11.928 1.00 0.00 O ATOM 261 CB SER C 25 0.776 11.242 -8.856 1.00 0.00 C ATOM 262 OG SER C 25 1.253 12.469 -8.324 1.00 0.00 O ATOM 0 H SER C 25 2.450 12.803 -10.085 1.00 0.00 H new ATOM 0 HA SER C 25 2.101 9.849 -9.829 1.00 0.00 H new ATOM 0 HB2 SER C 25 -0.259 11.352 -9.181 1.00 0.00 H new ATOM 0 HB3 SER C 25 0.788 10.470 -8.086 1.00 0.00 H new ATOM 0 HG SER C 25 0.689 12.740 -7.570 1.00 0.00 H new ATOM 268 N PHE C 26 0.410 9.547 -11.689 1.00 0.00 N ATOM 269 CA PHE C 26 -0.423 9.408 -12.917 1.00 0.00 C ATOM 270 C PHE C 26 -1.706 8.643 -12.585 1.00 0.00 C ATOM 271 O PHE C 26 -1.934 8.252 -11.459 1.00 0.00 O ATOM 272 CB PHE C 26 0.359 8.660 -14.001 1.00 0.00 C ATOM 273 CG PHE C 26 0.999 7.399 -13.422 1.00 0.00 C ATOM 274 CD1 PHE C 26 0.260 6.239 -13.307 1.00 0.00 C ATOM 275 CD2 PHE C 26 2.329 7.392 -13.037 1.00 0.00 C ATOM 276 CE1 PHE C 26 0.839 5.086 -12.817 1.00 0.00 C ATOM 277 CE2 PHE C 26 2.908 6.239 -12.547 1.00 0.00 C ATOM 278 CZ PHE C 26 2.162 5.086 -12.437 1.00 0.00 C ATOM 0 H PHE C 26 0.630 8.674 -11.210 1.00 0.00 H new ATOM 0 HA PHE C 26 -0.679 10.401 -13.287 1.00 0.00 H new ATOM 0 HB2 PHE C 26 -0.308 8.393 -14.821 1.00 0.00 H new ATOM 0 HB3 PHE C 26 1.130 9.309 -14.416 1.00 0.00 H new ATOM 0 HD1 PHE C 26 -0.779 6.234 -13.603 1.00 0.00 H new ATOM 0 HD2 PHE C 26 2.917 8.294 -13.121 1.00 0.00 H new ATOM 0 HE1 PHE C 26 0.253 4.183 -12.732 1.00 0.00 H new ATOM 0 HE2 PHE C 26 3.946 6.241 -12.250 1.00 0.00 H new ATOM 0 HZ PHE C 26 2.615 4.184 -12.053 1.00 0.00 H new ATOM 288 N LYS C 27 -2.546 8.427 -13.562 1.00 0.00 N ATOM 289 CA LYS C 27 -3.815 7.687 -13.303 1.00 0.00 C ATOM 290 C LYS C 27 -3.916 6.483 -14.243 1.00 0.00 C ATOM 291 O LYS C 27 -3.101 6.299 -15.125 1.00 0.00 O ATOM 292 CB LYS C 27 -5.004 8.622 -13.547 1.00 0.00 C ATOM 293 CG LYS C 27 -6.259 8.033 -12.899 1.00 0.00 C ATOM 294 CD LYS C 27 -7.274 9.149 -12.645 1.00 0.00 C ATOM 295 CE LYS C 27 -8.512 8.566 -11.960 1.00 0.00 C ATOM 296 NZ LYS C 27 -9.341 7.842 -12.963 1.00 0.00 N ATOM 0 H LYS C 27 -2.409 8.730 -14.526 1.00 0.00 H new ATOM 0 HA LYS C 27 -3.825 7.338 -12.270 1.00 0.00 H new ATOM 0 HB2 LYS C 27 -4.796 9.608 -13.131 1.00 0.00 H new ATOM 0 HB3 LYS C 27 -5.162 8.754 -14.617 1.00 0.00 H new ATOM 0 HG2 LYS C 27 -6.693 7.273 -13.548 1.00 0.00 H new ATOM 0 HG3 LYS C 27 -6.000 7.542 -11.961 1.00 0.00 H new ATOM 0 HD2 LYS C 27 -6.830 9.924 -12.020 1.00 0.00 H new ATOM 0 HD3 LYS C 27 -7.555 9.621 -13.586 1.00 0.00 H new ATOM 0 HE2 LYS C 27 -8.213 7.887 -11.162 1.00 0.00 H new ATOM 0 HE3 LYS C 27 -9.095 9.363 -11.499 1.00 0.00 H new ATOM 0 HZ1 LYS C 27 -10.230 7.534 -12.521 1.00 0.00 H new ATOM 0 HZ2 LYS C 27 -9.552 8.475 -13.761 1.00 0.00 H new ATOM 0 HZ3 LYS C 27 -8.820 7.011 -13.309 1.00 0.00 H new ATOM 310 N LYS C 28 -4.915 5.661 -14.058 1.00 0.00 N ATOM 311 CA LYS C 28 -5.077 4.467 -14.935 1.00 0.00 C ATOM 312 C LYS C 28 -5.429 4.921 -16.353 1.00 0.00 C ATOM 313 O LYS C 28 -6.073 5.931 -16.551 1.00 0.00 O ATOM 314 CB LYS C 28 -6.203 3.586 -14.385 1.00 0.00 C ATOM 315 CG LYS C 28 -6.595 2.531 -15.425 1.00 0.00 C ATOM 316 CD LYS C 28 -5.486 1.484 -15.535 1.00 0.00 C ATOM 317 CE LYS C 28 -5.945 0.347 -16.451 1.00 0.00 C ATOM 318 NZ LYS C 28 -6.928 -0.508 -15.726 1.00 0.00 N ATOM 0 H LYS C 28 -5.627 5.766 -13.335 1.00 0.00 H new ATOM 0 HA LYS C 28 -4.147 3.899 -14.957 1.00 0.00 H new ATOM 0 HB2 LYS C 28 -5.879 3.100 -13.465 1.00 0.00 H new ATOM 0 HB3 LYS C 28 -7.068 4.200 -14.134 1.00 0.00 H new ATOM 0 HG2 LYS C 28 -7.532 2.054 -15.139 1.00 0.00 H new ATOM 0 HG3 LYS C 28 -6.760 3.004 -16.393 1.00 0.00 H new ATOM 0 HD2 LYS C 28 -4.579 1.940 -15.931 1.00 0.00 H new ATOM 0 HD3 LYS C 28 -5.241 1.093 -14.547 1.00 0.00 H new ATOM 0 HE2 LYS C 28 -6.398 0.754 -17.355 1.00 0.00 H new ATOM 0 HE3 LYS C 28 -5.089 -0.250 -16.764 1.00 0.00 H new ATOM 0 HZ1 LYS C 28 -7.048 -1.407 -16.235 1.00 0.00 H new ATOM 0 HZ2 LYS C 28 -6.580 -0.698 -14.765 1.00 0.00 H new ATOM 0 HZ3 LYS C 28 -7.843 -0.016 -15.672 1.00 0.00 H new ATOM 332 N GLY C 29 -5.012 4.179 -17.343 1.00 0.00 N ATOM 333 CA GLY C 29 -5.323 4.567 -18.748 1.00 0.00 C ATOM 334 C GLY C 29 -4.397 5.705 -19.185 1.00 0.00 C ATOM 335 O GLY C 29 -4.446 6.159 -20.311 1.00 0.00 O ATOM 0 H GLY C 29 -4.470 3.321 -17.239 1.00 0.00 H new ATOM 0 HA2 GLY C 29 -5.198 3.709 -19.409 1.00 0.00 H new ATOM 0 HA3 GLY C 29 -6.364 4.881 -18.827 1.00 0.00 H new ATOM 339 N GLU C 30 -3.554 6.172 -18.305 1.00 0.00 N ATOM 340 CA GLU C 30 -2.629 7.279 -18.675 1.00 0.00 C ATOM 341 C GLU C 30 -1.373 6.696 -19.325 1.00 0.00 C ATOM 342 O GLU C 30 -0.776 5.765 -18.820 1.00 0.00 O ATOM 343 CB GLU C 30 -2.239 8.063 -17.420 1.00 0.00 C ATOM 344 CG GLU C 30 -1.224 9.146 -17.789 1.00 0.00 C ATOM 345 CD GLU C 30 -1.486 10.398 -16.948 1.00 0.00 C ATOM 346 OE1 GLU C 30 -2.302 10.321 -16.044 1.00 0.00 O ATOM 347 OE2 GLU C 30 -0.867 11.412 -17.223 1.00 0.00 O ATOM 0 H GLU C 30 -3.466 5.835 -17.346 1.00 0.00 H new ATOM 0 HA GLU C 30 -3.126 7.948 -19.378 1.00 0.00 H new ATOM 0 HB2 GLU C 30 -3.123 8.516 -16.972 1.00 0.00 H new ATOM 0 HB3 GLU C 30 -1.814 7.390 -16.675 1.00 0.00 H new ATOM 0 HG2 GLU C 30 -0.211 8.784 -17.616 1.00 0.00 H new ATOM 0 HG3 GLU C 30 -1.300 9.385 -18.850 1.00 0.00 H new ATOM 354 N ARG C 31 -0.967 7.234 -20.443 1.00 0.00 N ATOM 355 CA ARG C 31 0.249 6.709 -21.123 1.00 0.00 C ATOM 356 C ARG C 31 1.484 7.433 -20.586 1.00 0.00 C ATOM 357 O ARG C 31 1.421 8.583 -20.198 1.00 0.00 O ATOM 358 CB ARG C 31 0.135 6.947 -22.631 1.00 0.00 C ATOM 359 CG ARG C 31 -1.278 6.590 -23.096 1.00 0.00 C ATOM 360 CD ARG C 31 -2.007 7.862 -23.534 1.00 0.00 C ATOM 361 NE ARG C 31 -3.417 7.531 -23.883 1.00 0.00 N ATOM 362 CZ ARG C 31 -3.692 6.957 -25.024 1.00 0.00 C ATOM 363 NH1 ARG C 31 -2.734 6.672 -25.865 1.00 0.00 N ATOM 364 NH2 ARG C 31 -4.929 6.668 -25.327 1.00 0.00 N ATOM 0 H ARG C 31 -1.425 8.014 -20.914 1.00 0.00 H new ATOM 0 HA ARG C 31 0.340 5.640 -20.930 1.00 0.00 H new ATOM 0 HB2 ARG C 31 0.354 7.989 -22.863 1.00 0.00 H new ATOM 0 HB3 ARG C 31 0.869 6.341 -23.163 1.00 0.00 H new ATOM 0 HG2 ARG C 31 -1.232 5.881 -23.923 1.00 0.00 H new ATOM 0 HG3 ARG C 31 -1.826 6.103 -22.289 1.00 0.00 H new ATOM 0 HD2 ARG C 31 -1.983 8.602 -22.734 1.00 0.00 H new ATOM 0 HD3 ARG C 31 -1.503 8.305 -24.393 1.00 0.00 H new ATOM 0 HE ARG C 31 -4.169 7.753 -23.230 1.00 0.00 H new ATOM 0 HH11 ARG C 31 -1.767 6.898 -25.632 1.00 0.00 H new ATOM 0 HH12 ARG C 31 -2.953 6.224 -26.755 1.00 0.00 H new ATOM 0 HH21 ARG C 31 -5.680 6.890 -24.673 1.00 0.00 H new ATOM 0 HH22 ARG C 31 -5.145 6.220 -26.218 1.00 0.00 H new ATOM 378 N LEU C 32 2.608 6.770 -20.559 1.00 0.00 N ATOM 379 CA LEU C 32 3.844 7.422 -20.045 1.00 0.00 C ATOM 380 C LEU C 32 4.981 7.223 -21.049 1.00 0.00 C ATOM 381 O LEU C 32 5.180 6.143 -21.569 1.00 0.00 O ATOM 382 CB LEU C 32 4.228 6.794 -18.704 1.00 0.00 C ATOM 383 CG LEU C 32 3.186 7.173 -17.650 1.00 0.00 C ATOM 384 CD1 LEU C 32 2.679 5.908 -16.954 1.00 0.00 C ATOM 385 CD2 LEU C 32 3.821 8.104 -16.616 1.00 0.00 C ATOM 0 H LEU C 32 2.723 5.806 -20.871 1.00 0.00 H new ATOM 0 HA LEU C 32 3.665 8.489 -19.909 1.00 0.00 H new ATOM 0 HB2 LEU C 32 4.286 5.710 -18.801 1.00 0.00 H new ATOM 0 HB3 LEU C 32 5.215 7.140 -18.397 1.00 0.00 H new ATOM 0 HG LEU C 32 2.351 7.681 -18.132 1.00 0.00 H new ATOM 0 HD11 LEU C 32 1.937 6.179 -16.203 1.00 0.00 H new ATOM 0 HD12 LEU C 32 2.225 5.245 -17.690 1.00 0.00 H new ATOM 0 HD13 LEU C 32 3.513 5.399 -16.472 1.00 0.00 H new ATOM 0 HD21 LEU C 32 3.079 8.374 -15.865 1.00 0.00 H new ATOM 0 HD22 LEU C 32 4.657 7.597 -16.134 1.00 0.00 H new ATOM 0 HD23 LEU C 32 4.181 9.006 -17.111 1.00 0.00 H new ATOM 397 N GLN C 33 5.729 8.257 -21.326 1.00 0.00 N ATOM 398 CA GLN C 33 6.851 8.124 -22.296 1.00 0.00 C ATOM 399 C GLN C 33 8.055 7.489 -21.598 1.00 0.00 C ATOM 400 O GLN C 33 8.994 8.162 -21.223 1.00 0.00 O ATOM 401 CB GLN C 33 7.240 9.507 -22.824 1.00 0.00 C ATOM 402 CG GLN C 33 8.444 9.375 -23.759 1.00 0.00 C ATOM 403 CD GLN C 33 8.114 10.018 -25.107 1.00 0.00 C ATOM 404 OE1 GLN C 33 7.086 9.738 -25.692 1.00 0.00 O ATOM 405 NE2 GLN C 33 8.949 10.874 -25.630 1.00 0.00 N ATOM 0 H GLN C 33 5.611 9.186 -20.923 1.00 0.00 H new ATOM 0 HA GLN C 33 6.537 7.494 -23.128 1.00 0.00 H new ATOM 0 HB2 GLN C 33 6.400 9.955 -23.356 1.00 0.00 H new ATOM 0 HB3 GLN C 33 7.482 10.170 -21.994 1.00 0.00 H new ATOM 0 HG2 GLN C 33 9.316 9.858 -23.317 1.00 0.00 H new ATOM 0 HG3 GLN C 33 8.697 8.324 -23.897 1.00 0.00 H new ATOM 0 HE21 GLN C 33 9.812 11.109 -25.140 1.00 0.00 H new ATOM 0 HE22 GLN C 33 8.739 11.307 -26.529 1.00 0.00 H new ATOM 414 N ILE C 34 8.034 6.196 -21.419 1.00 0.00 N ATOM 415 CA ILE C 34 9.178 5.520 -20.744 1.00 0.00 C ATOM 416 C ILE C 34 10.493 6.046 -21.323 1.00 0.00 C ATOM 417 O ILE C 34 10.576 6.390 -22.485 1.00 0.00 O ATOM 418 CB ILE C 34 9.084 4.011 -20.974 1.00 0.00 C ATOM 419 CG1 ILE C 34 7.723 3.504 -20.495 1.00 0.00 C ATOM 420 CG2 ILE C 34 10.194 3.308 -20.189 1.00 0.00 C ATOM 421 CD1 ILE C 34 7.488 3.959 -19.053 1.00 0.00 C ATOM 0 H ILE C 34 7.275 5.580 -21.711 1.00 0.00 H new ATOM 0 HA ILE C 34 9.145 5.726 -19.674 1.00 0.00 H new ATOM 0 HB ILE C 34 9.196 3.798 -22.037 1.00 0.00 H new ATOM 0 HG12 ILE C 34 6.933 3.886 -21.141 1.00 0.00 H new ATOM 0 HG13 ILE C 34 7.686 2.416 -20.555 1.00 0.00 H new ATOM 0 HG21 ILE C 34 10.129 2.232 -20.351 1.00 0.00 H new ATOM 0 HG22 ILE C 34 11.165 3.668 -20.529 1.00 0.00 H new ATOM 0 HG23 ILE C 34 10.080 3.522 -19.126 1.00 0.00 H new ATOM 0 HD11 ILE C 34 6.518 3.598 -18.711 1.00 0.00 H new ATOM 0 HD12 ILE C 34 8.272 3.556 -18.412 1.00 0.00 H new ATOM 0 HD13 ILE C 34 7.506 5.048 -19.007 1.00 0.00 H new ATOM 433 N VAL C 35 11.520 6.109 -20.522 1.00 0.00 N ATOM 434 CA VAL C 35 12.829 6.611 -21.025 1.00 0.00 C ATOM 435 C VAL C 35 13.895 5.536 -20.819 1.00 0.00 C ATOM 436 O VAL C 35 14.814 5.399 -21.604 1.00 0.00 O ATOM 437 CB VAL C 35 13.224 7.871 -20.253 1.00 0.00 C ATOM 438 CG1 VAL C 35 14.679 8.226 -20.568 1.00 0.00 C ATOM 439 CG2 VAL C 35 12.316 9.031 -20.667 1.00 0.00 C ATOM 0 H VAL C 35 11.509 5.834 -19.540 1.00 0.00 H new ATOM 0 HA VAL C 35 12.745 6.846 -22.086 1.00 0.00 H new ATOM 0 HB VAL C 35 13.116 7.690 -19.184 1.00 0.00 H new ATOM 0 HG11 VAL C 35 14.962 9.124 -20.018 1.00 0.00 H new ATOM 0 HG12 VAL C 35 15.327 7.401 -20.273 1.00 0.00 H new ATOM 0 HG13 VAL C 35 14.786 8.407 -21.638 1.00 0.00 H new ATOM 0 HG21 VAL C 35 12.598 9.928 -20.116 1.00 0.00 H new ATOM 0 HG22 VAL C 35 12.423 9.213 -21.736 1.00 0.00 H new ATOM 0 HG23 VAL C 35 11.279 8.779 -20.444 1.00 0.00 H new ATOM 449 N ASN C 36 13.780 4.772 -19.770 1.00 0.00 N ATOM 450 CA ASN C 36 14.786 3.704 -19.512 1.00 0.00 C ATOM 451 C ASN C 36 14.088 2.471 -18.935 1.00 0.00 C ATOM 452 O ASN C 36 13.114 2.577 -18.216 1.00 0.00 O ATOM 453 CB ASN C 36 15.828 4.213 -18.514 1.00 0.00 C ATOM 454 CG ASN C 36 17.138 3.448 -18.710 1.00 0.00 C ATOM 455 OD1 ASN C 36 17.773 2.986 -17.668 1.00 0.00 O flip ATOM 456 ND2 ASN C 36 17.589 3.267 -19.824 1.00 0.00 N flip ATOM 0 H ASN C 36 13.033 4.840 -19.079 1.00 0.00 H new ATOM 0 HA ASN C 36 15.278 3.438 -20.447 1.00 0.00 H new ATOM 0 HB2 ASN C 36 15.993 5.281 -18.657 1.00 0.00 H new ATOM 0 HB3 ASN C 36 15.466 4.080 -17.494 1.00 0.00 H new ATOM 0 HD21 ASN C 36 17.094 3.628 -20.640 1.00 0.00 H new ATOM 0 HD22 ASN C 36 18.463 2.755 -19.943 1.00 0.00 H new ATOM 463 N ASN C 37 14.575 1.302 -19.247 1.00 0.00 N ATOM 464 CA ASN C 37 13.939 0.063 -18.717 1.00 0.00 C ATOM 465 C ASN C 37 15.021 -0.974 -18.412 1.00 0.00 C ATOM 466 O ASN C 37 14.878 -2.142 -18.716 1.00 0.00 O ATOM 467 CB ASN C 37 12.970 -0.500 -19.758 1.00 0.00 C ATOM 468 CG ASN C 37 13.511 -0.225 -21.163 1.00 0.00 C ATOM 469 OD1 ASN C 37 14.742 -0.551 -21.450 1.00 0.00 O flip ATOM 470 ND2 ASN C 37 12.807 0.293 -22.007 1.00 0.00 N flip ATOM 0 H ASN C 37 15.386 1.151 -19.846 1.00 0.00 H new ATOM 0 HA ASN C 37 13.392 0.297 -17.804 1.00 0.00 H new ATOM 0 HB2 ASN C 37 12.843 -1.572 -19.609 1.00 0.00 H new ATOM 0 HB3 ASN C 37 11.987 -0.043 -19.640 1.00 0.00 H new ATOM 0 HD21 ASN C 37 11.845 0.548 -21.783 1.00 0.00 H new ATOM 0 HD22 ASN C 37 13.178 0.473 -22.940 1.00 0.00 H new ATOM 477 N THR C 38 16.103 -0.558 -17.814 1.00 0.00 N ATOM 478 CA THR C 38 17.193 -1.520 -17.489 1.00 0.00 C ATOM 479 C THR C 38 17.623 -1.330 -16.033 1.00 0.00 C ATOM 480 O THR C 38 18.757 -1.576 -15.674 1.00 0.00 O ATOM 481 CB THR C 38 18.388 -1.265 -18.412 1.00 0.00 C ATOM 482 OG1 THR C 38 19.428 -2.181 -18.099 1.00 0.00 O ATOM 483 CG2 THR C 38 18.890 0.165 -18.220 1.00 0.00 C ATOM 0 H THR C 38 16.279 0.407 -17.536 1.00 0.00 H new ATOM 0 HA THR C 38 16.834 -2.539 -17.631 1.00 0.00 H new ATOM 0 HB THR C 38 18.082 -1.401 -19.449 1.00 0.00 H new ATOM 0 HG1 THR C 38 19.497 -2.278 -17.126 1.00 0.00 H new ATOM 0 HG21 THR C 38 19.740 0.344 -18.878 1.00 0.00 H new ATOM 0 HG22 THR C 38 18.091 0.866 -18.461 1.00 0.00 H new ATOM 0 HG23 THR C 38 19.197 0.307 -17.184 1.00 0.00 H new ATOM 491 N GLU C 39 16.726 -0.892 -15.193 1.00 0.00 N ATOM 492 CA GLU C 39 17.082 -0.687 -13.762 1.00 0.00 C ATOM 493 C GLU C 39 16.382 -1.745 -12.907 1.00 0.00 C ATOM 494 O GLU C 39 16.904 -2.818 -12.679 1.00 0.00 O ATOM 495 CB GLU C 39 16.632 0.707 -13.319 1.00 0.00 C ATOM 496 CG GLU C 39 17.842 1.642 -13.270 1.00 0.00 C ATOM 497 CD GLU C 39 18.707 1.294 -12.059 1.00 0.00 C ATOM 498 OE1 GLU C 39 18.464 0.260 -11.459 1.00 0.00 O ATOM 499 OE2 GLU C 39 19.598 2.068 -11.750 1.00 0.00 O ATOM 0 H GLU C 39 15.761 -0.667 -15.437 1.00 0.00 H new ATOM 0 HA GLU C 39 18.161 -0.776 -13.639 1.00 0.00 H new ATOM 0 HB2 GLU C 39 15.886 1.097 -14.011 1.00 0.00 H new ATOM 0 HB3 GLU C 39 16.160 0.654 -12.338 1.00 0.00 H new ATOM 0 HG2 GLU C 39 18.425 1.547 -14.186 1.00 0.00 H new ATOM 0 HG3 GLU C 39 17.511 2.679 -13.208 1.00 0.00 H new ATOM 506 N GLY C 40 15.203 -1.451 -12.431 1.00 0.00 N ATOM 507 CA GLY C 40 14.473 -2.441 -11.592 1.00 0.00 C ATOM 508 C GLY C 40 12.989 -2.068 -11.535 1.00 0.00 C ATOM 509 O GLY C 40 12.279 -2.158 -12.517 1.00 0.00 O ATOM 0 H GLY C 40 14.715 -0.569 -12.587 1.00 0.00 H new ATOM 0 HA2 GLY C 40 14.591 -3.442 -12.006 1.00 0.00 H new ATOM 0 HA3 GLY C 40 14.893 -2.461 -10.586 1.00 0.00 H new ATOM 513 N ASP C 41 12.517 -1.650 -10.393 1.00 0.00 N ATOM 514 CA ASP C 41 11.080 -1.271 -10.275 1.00 0.00 C ATOM 515 C ASP C 41 10.948 0.252 -10.286 1.00 0.00 C ATOM 516 O ASP C 41 10.110 0.816 -9.608 1.00 0.00 O ATOM 517 CB ASP C 41 10.517 -1.820 -8.963 1.00 0.00 C ATOM 518 CG ASP C 41 11.080 -3.220 -8.712 1.00 0.00 C ATOM 519 OD1 ASP C 41 12.277 -3.328 -8.505 1.00 0.00 O ATOM 520 OD2 ASP C 41 10.305 -4.162 -8.733 1.00 0.00 O ATOM 0 H ASP C 41 13.063 -1.554 -9.537 1.00 0.00 H new ATOM 0 HA ASP C 41 10.525 -1.688 -11.115 1.00 0.00 H new ATOM 0 HB2 ASP C 41 10.779 -1.158 -8.138 1.00 0.00 H new ATOM 0 HB3 ASP C 41 9.429 -1.857 -9.009 1.00 0.00 H new ATOM 525 N TRP C 42 11.765 0.926 -11.048 1.00 0.00 N ATOM 526 CA TRP C 42 11.677 2.413 -11.094 1.00 0.00 C ATOM 527 C TRP C 42 12.351 2.930 -12.365 1.00 0.00 C ATOM 528 O TRP C 42 13.557 2.887 -12.501 1.00 0.00 O ATOM 529 CB TRP C 42 12.375 3.001 -9.868 1.00 0.00 C ATOM 530 CG TRP C 42 11.466 2.850 -8.647 1.00 0.00 C ATOM 531 CD1 TRP C 42 11.646 1.961 -7.655 1.00 0.00 C ATOM 532 CD2 TRP C 42 10.375 3.575 -8.415 1.00 0.00 C ATOM 533 NE1 TRP C 42 10.620 2.195 -6.835 1.00 0.00 N ATOM 534 CE2 TRP C 42 9.778 3.185 -7.232 1.00 0.00 C ATOM 535 CE3 TRP C 42 9.820 4.593 -9.164 1.00 0.00 C ATOM 536 CZ2 TRP C 42 8.628 3.812 -6.800 1.00 0.00 C ATOM 537 CZ3 TRP C 42 8.669 5.220 -8.731 1.00 0.00 C ATOM 538 CH2 TRP C 42 8.073 4.829 -7.549 1.00 0.00 C ATOM 0 H TRP C 42 12.487 0.513 -11.639 1.00 0.00 H new ATOM 0 HA TRP C 42 10.629 2.714 -11.096 1.00 0.00 H new ATOM 0 HB2 TRP C 42 13.323 2.491 -9.695 1.00 0.00 H new ATOM 0 HB3 TRP C 42 12.605 4.053 -10.036 1.00 0.00 H new ATOM 0 HD1 TRP C 42 12.434 1.231 -7.547 1.00 0.00 H new ATOM 0 HE1 TRP C 42 10.478 1.669 -5.973 1.00 0.00 H new ATOM 0 HE3 TRP C 42 10.286 4.899 -10.089 1.00 0.00 H new ATOM 0 HZ2 TRP C 42 8.162 3.507 -5.875 1.00 0.00 H new ATOM 0 HZ3 TRP C 42 8.235 6.016 -9.317 1.00 0.00 H new ATOM 0 HH2 TRP C 42 7.172 5.319 -7.210 1.00 0.00 H new ATOM 549 N TRP C 43 11.580 3.420 -13.297 1.00 0.00 N ATOM 550 CA TRP C 43 12.175 3.941 -14.559 1.00 0.00 C ATOM 551 C TRP C 43 11.856 5.432 -14.691 1.00 0.00 C ATOM 552 O TRP C 43 11.204 6.013 -13.847 1.00 0.00 O ATOM 553 CB TRP C 43 11.582 3.187 -15.752 1.00 0.00 C ATOM 554 CG TRP C 43 11.806 1.685 -15.572 1.00 0.00 C ATOM 555 CD1 TRP C 43 12.949 1.119 -15.150 1.00 0.00 C ATOM 556 CD2 TRP C 43 10.897 0.746 -15.815 1.00 0.00 C ATOM 557 NE1 TRP C 43 12.673 -0.187 -15.155 1.00 0.00 N ATOM 558 CE2 TRP C 43 11.416 -0.509 -15.557 1.00 0.00 C ATOM 559 CE3 TRP C 43 9.598 0.877 -16.261 1.00 0.00 C ATOM 560 CZ2 TRP C 43 10.634 -1.629 -15.744 1.00 0.00 C ATOM 561 CZ3 TRP C 43 8.817 -0.244 -16.450 1.00 0.00 C ATOM 562 CH2 TRP C 43 9.334 -1.497 -16.191 1.00 0.00 C ATOM 0 H TRP C 43 10.564 3.482 -13.238 1.00 0.00 H new ATOM 0 HA TRP C 43 13.255 3.798 -14.539 1.00 0.00 H new ATOM 0 HB2 TRP C 43 10.516 3.399 -15.835 1.00 0.00 H new ATOM 0 HB3 TRP C 43 12.048 3.526 -16.677 1.00 0.00 H new ATOM 0 HD1 TRP C 43 13.872 1.605 -14.872 1.00 0.00 H new ATOM 0 HE1 TRP C 43 13.356 -0.892 -14.877 1.00 0.00 H new ATOM 0 HE3 TRP C 43 9.193 1.858 -16.462 1.00 0.00 H new ATOM 0 HZ2 TRP C 43 11.038 -2.610 -15.541 1.00 0.00 H new ATOM 0 HZ3 TRP C 43 7.801 -0.141 -16.801 1.00 0.00 H new ATOM 0 HH2 TRP C 43 8.722 -2.375 -16.338 1.00 0.00 H new ATOM 573 N LEU C 44 12.311 6.055 -15.741 1.00 0.00 N ATOM 574 CA LEU C 44 12.032 7.507 -15.922 1.00 0.00 C ATOM 575 C LEU C 44 10.972 7.683 -17.010 1.00 0.00 C ATOM 576 O LEU C 44 11.178 7.325 -18.153 1.00 0.00 O ATOM 577 CB LEU C 44 13.314 8.226 -16.341 1.00 0.00 C ATOM 578 CG LEU C 44 13.032 9.722 -16.488 1.00 0.00 C ATOM 579 CD1 LEU C 44 13.431 10.443 -15.202 1.00 0.00 C ATOM 580 CD2 LEU C 44 13.846 10.279 -17.655 1.00 0.00 C ATOM 0 H LEU C 44 12.864 5.623 -16.481 1.00 0.00 H new ATOM 0 HA LEU C 44 11.671 7.929 -14.984 1.00 0.00 H new ATOM 0 HB2 LEU C 44 14.095 8.063 -15.598 1.00 0.00 H new ATOM 0 HB3 LEU C 44 13.681 7.819 -17.283 1.00 0.00 H new ATOM 0 HG LEU C 44 11.970 9.876 -16.677 1.00 0.00 H new ATOM 0 HD11 LEU C 44 13.231 11.509 -15.306 1.00 0.00 H new ATOM 0 HD12 LEU C 44 12.854 10.045 -14.367 1.00 0.00 H new ATOM 0 HD13 LEU C 44 14.494 10.290 -15.014 1.00 0.00 H new ATOM 0 HD21 LEU C 44 13.646 11.345 -17.762 1.00 0.00 H new ATOM 0 HD22 LEU C 44 14.908 10.126 -17.464 1.00 0.00 H new ATOM 0 HD23 LEU C 44 13.565 9.764 -18.573 1.00 0.00 H new ATOM 592 N ALA C 45 9.841 8.235 -16.670 1.00 0.00 N ATOM 593 CA ALA C 45 8.776 8.429 -17.693 1.00 0.00 C ATOM 594 C ALA C 45 8.506 9.924 -17.882 1.00 0.00 C ATOM 595 O ALA C 45 8.442 10.679 -16.932 1.00 0.00 O ATOM 596 CB ALA C 45 7.494 7.736 -17.230 1.00 0.00 C ATOM 0 H ALA C 45 9.608 8.559 -15.731 1.00 0.00 H new ATOM 0 HA ALA C 45 9.104 7.999 -18.640 1.00 0.00 H new ATOM 0 HB1 ALA C 45 6.714 7.877 -17.978 1.00 0.00 H new ATOM 0 HB2 ALA C 45 7.683 6.670 -17.100 1.00 0.00 H new ATOM 0 HB3 ALA C 45 7.170 8.166 -16.282 1.00 0.00 H new ATOM 602 N HIS C 46 8.349 10.353 -19.104 1.00 0.00 N ATOM 603 CA HIS C 46 8.083 11.796 -19.362 1.00 0.00 C ATOM 604 C HIS C 46 6.603 11.971 -19.720 1.00 0.00 C ATOM 605 O HIS C 46 6.095 11.340 -20.626 1.00 0.00 O ATOM 606 CB HIS C 46 8.981 12.271 -20.517 1.00 0.00 C ATOM 607 CG HIS C 46 8.324 13.433 -21.272 1.00 0.00 C ATOM 608 ND1 HIS C 46 7.408 13.411 -22.307 1.00 0.00 N flip ATOM 609 CD2 HIS C 46 8.539 14.663 -21.051 1.00 0.00 C flip ATOM 610 CE1 HIS C 46 7.108 14.668 -22.671 1.00 0.00 C flip ATOM 611 NE2 HIS C 46 7.849 15.391 -21.846 1.00 0.00 N flip ATOM 0 H HIS C 46 8.394 9.765 -19.936 1.00 0.00 H new ATOM 0 HA HIS C 46 8.305 12.392 -18.476 1.00 0.00 H new ATOM 0 HB2 HIS C 46 9.949 12.586 -20.126 1.00 0.00 H new ATOM 0 HB3 HIS C 46 9.168 11.445 -21.203 1.00 0.00 H new ATOM 0 HD1 HIS C 46 7.019 12.568 -22.730 1.00 0.00 H new ATOM 0 HD2 HIS C 46 9.211 15.044 -20.296 1.00 0.00 H new ATOM 0 HE1 HIS C 46 6.432 15.005 -23.443 1.00 0.00 H new ATOM 619 N SER C 47 5.909 12.821 -19.014 1.00 0.00 N ATOM 620 CA SER C 47 4.465 13.036 -19.312 1.00 0.00 C ATOM 621 C SER C 47 4.323 13.853 -20.598 1.00 0.00 C ATOM 622 O SER C 47 5.146 14.692 -20.906 1.00 0.00 O ATOM 623 CB SER C 47 3.813 13.791 -18.151 1.00 0.00 C ATOM 624 OG SER C 47 3.689 12.923 -17.033 1.00 0.00 O ATOM 0 H SER C 47 6.280 13.376 -18.243 1.00 0.00 H new ATOM 0 HA SER C 47 3.973 12.072 -19.441 1.00 0.00 H new ATOM 0 HB2 SER C 47 4.414 14.661 -17.885 1.00 0.00 H new ATOM 0 HB3 SER C 47 2.832 14.161 -18.449 1.00 0.00 H new ATOM 0 HG SER C 47 3.273 13.406 -16.288 1.00 0.00 H new ATOM 630 N LEU C 48 3.284 13.614 -21.352 1.00 0.00 N ATOM 631 CA LEU C 48 3.088 14.375 -22.617 1.00 0.00 C ATOM 632 C LEU C 48 2.169 15.571 -22.356 1.00 0.00 C ATOM 633 O LEU C 48 2.002 16.431 -23.198 1.00 0.00 O ATOM 634 CB LEU C 48 2.451 13.463 -23.667 1.00 0.00 C ATOM 635 CG LEU C 48 3.083 12.073 -23.587 1.00 0.00 C ATOM 636 CD1 LEU C 48 2.330 11.115 -24.513 1.00 0.00 C ATOM 637 CD2 LEU C 48 4.549 12.153 -24.018 1.00 0.00 C ATOM 0 H LEU C 48 2.562 12.924 -21.145 1.00 0.00 H new ATOM 0 HA LEU C 48 4.052 14.730 -22.980 1.00 0.00 H new ATOM 0 HB2 LEU C 48 1.376 13.395 -23.501 1.00 0.00 H new ATOM 0 HB3 LEU C 48 2.594 13.882 -24.663 1.00 0.00 H new ATOM 0 HG LEU C 48 3.025 11.707 -22.562 1.00 0.00 H new ATOM 0 HD11 LEU C 48 2.781 10.124 -24.456 1.00 0.00 H new ATOM 0 HD12 LEU C 48 1.286 11.057 -24.205 1.00 0.00 H new ATOM 0 HD13 LEU C 48 2.386 11.481 -25.538 1.00 0.00 H new ATOM 0 HD21 LEU C 48 5.000 11.162 -23.961 1.00 0.00 H new ATOM 0 HD22 LEU C 48 4.607 12.520 -25.043 1.00 0.00 H new ATOM 0 HD23 LEU C 48 5.086 12.834 -23.358 1.00 0.00 H new ATOM 649 N THR C 49 1.573 15.633 -21.198 1.00 0.00 N ATOM 650 CA THR C 49 0.666 16.774 -20.887 1.00 0.00 C ATOM 651 C THR C 49 1.500 18.024 -20.597 1.00 0.00 C ATOM 652 O THR C 49 1.573 18.933 -21.399 1.00 0.00 O ATOM 653 CB THR C 49 -0.184 16.433 -19.662 1.00 0.00 C ATOM 654 OG1 THR C 49 -0.006 15.062 -19.331 1.00 0.00 O ATOM 655 CG2 THR C 49 -1.658 16.699 -19.972 1.00 0.00 C ATOM 0 H THR C 49 1.674 14.943 -20.453 1.00 0.00 H new ATOM 0 HA THR C 49 0.014 16.961 -21.740 1.00 0.00 H new ATOM 0 HB THR C 49 0.125 17.053 -18.820 1.00 0.00 H new ATOM 0 HG1 THR C 49 -0.549 14.842 -18.545 1.00 0.00 H new ATOM 0 HG21 THR C 49 -2.263 16.456 -19.099 1.00 0.00 H new ATOM 0 HG22 THR C 49 -1.793 17.751 -20.225 1.00 0.00 H new ATOM 0 HG23 THR C 49 -1.970 16.080 -20.813 1.00 0.00 H new ATOM 663 N THR C 50 2.127 18.078 -19.453 1.00 0.00 N ATOM 664 CA THR C 50 2.954 19.270 -19.113 1.00 0.00 C ATOM 665 C THR C 50 4.331 19.134 -19.765 1.00 0.00 C ATOM 666 O THR C 50 5.037 20.104 -19.960 1.00 0.00 O ATOM 667 CB THR C 50 3.118 19.359 -17.593 1.00 0.00 C ATOM 668 OG1 THR C 50 2.395 18.302 -16.978 1.00 0.00 O ATOM 669 CG2 THR C 50 2.582 20.703 -17.099 1.00 0.00 C ATOM 0 H THR C 50 2.102 17.349 -18.740 1.00 0.00 H new ATOM 0 HA THR C 50 2.463 20.171 -19.480 1.00 0.00 H new ATOM 0 HB THR C 50 4.174 19.275 -17.335 1.00 0.00 H new ATOM 0 HG1 THR C 50 2.500 18.356 -16.005 1.00 0.00 H new ATOM 0 HG21 THR C 50 2.699 20.766 -16.017 1.00 0.00 H new ATOM 0 HG22 THR C 50 3.138 21.512 -17.572 1.00 0.00 H new ATOM 0 HG23 THR C 50 1.526 20.790 -17.355 1.00 0.00 H new ATOM 677 N GLY C 51 4.718 17.936 -20.106 1.00 0.00 N ATOM 678 CA GLY C 51 6.047 17.735 -20.744 1.00 0.00 C ATOM 679 C GLY C 51 7.142 17.817 -19.679 1.00 0.00 C ATOM 680 O GLY C 51 8.206 18.357 -19.909 1.00 0.00 O ATOM 0 H GLY C 51 4.170 17.087 -19.970 1.00 0.00 H new ATOM 0 HA2 GLY C 51 6.081 16.766 -21.241 1.00 0.00 H new ATOM 0 HA3 GLY C 51 6.213 18.492 -21.510 1.00 0.00 H new ATOM 684 N GLN C 52 6.889 17.285 -18.513 1.00 0.00 N ATOM 685 CA GLN C 52 7.915 17.334 -17.432 1.00 0.00 C ATOM 686 C GLN C 52 8.460 15.925 -17.177 1.00 0.00 C ATOM 687 O GLN C 52 8.064 14.971 -17.818 1.00 0.00 O ATOM 688 CB GLN C 52 7.278 17.874 -16.151 1.00 0.00 C ATOM 689 CG GLN C 52 7.142 19.394 -16.254 1.00 0.00 C ATOM 690 CD GLN C 52 8.019 20.057 -15.191 1.00 0.00 C ATOM 691 OE1 GLN C 52 7.679 20.065 -14.025 1.00 0.00 O ATOM 692 NE2 GLN C 52 9.143 20.617 -15.546 1.00 0.00 N ATOM 0 H GLN C 52 6.017 16.819 -18.263 1.00 0.00 H new ATOM 0 HA GLN C 52 8.732 17.988 -17.737 1.00 0.00 H new ATOM 0 HB2 GLN C 52 6.299 17.420 -15.999 1.00 0.00 H new ATOM 0 HB3 GLN C 52 7.890 17.610 -15.288 1.00 0.00 H new ATOM 0 HG2 GLN C 52 7.439 19.730 -17.247 1.00 0.00 H new ATOM 0 HG3 GLN C 52 6.101 19.687 -16.117 1.00 0.00 H new ATOM 0 HE21 GLN C 52 9.429 20.611 -16.525 1.00 0.00 H new ATOM 0 HE22 GLN C 52 9.735 21.061 -14.844 1.00 0.00 H new ATOM 701 N THR C 53 9.365 15.787 -16.247 1.00 0.00 N ATOM 702 CA THR C 53 9.934 14.441 -15.952 1.00 0.00 C ATOM 703 C THR C 53 9.198 13.824 -14.763 1.00 0.00 C ATOM 704 O THR C 53 8.686 14.518 -13.907 1.00 0.00 O ATOM 705 CB THR C 53 11.429 14.577 -15.627 1.00 0.00 C ATOM 706 OG1 THR C 53 12.163 14.677 -16.838 1.00 0.00 O ATOM 707 CG2 THR C 53 11.913 13.354 -14.839 1.00 0.00 C ATOM 0 H THR C 53 9.735 16.548 -15.678 1.00 0.00 H new ATOM 0 HA THR C 53 9.813 13.795 -16.822 1.00 0.00 H new ATOM 0 HB THR C 53 11.583 15.471 -15.023 1.00 0.00 H new ATOM 0 HG1 THR C 53 13.118 14.766 -16.635 1.00 0.00 H new ATOM 0 HG21 THR C 53 12.974 13.462 -14.615 1.00 0.00 H new ATOM 0 HG22 THR C 53 11.351 13.275 -13.908 1.00 0.00 H new ATOM 0 HG23 THR C 53 11.758 12.454 -15.433 1.00 0.00 H new ATOM 715 N GLY C 54 9.148 12.520 -14.700 1.00 0.00 N ATOM 716 CA GLY C 54 8.447 11.860 -13.567 1.00 0.00 C ATOM 717 C GLY C 54 8.724 10.358 -13.586 1.00 0.00 C ATOM 718 O GLY C 54 8.167 9.625 -14.381 1.00 0.00 O ATOM 0 H GLY C 54 9.562 11.887 -15.384 1.00 0.00 H new ATOM 0 HA2 GLY C 54 8.782 12.288 -12.622 1.00 0.00 H new ATOM 0 HA3 GLY C 54 7.374 12.041 -13.637 1.00 0.00 H new ATOM 722 N TYR C 55 9.582 9.887 -12.724 1.00 0.00 N ATOM 723 CA TYR C 55 9.877 8.431 -12.707 1.00 0.00 C ATOM 724 C TYR C 55 8.582 7.691 -12.372 1.00 0.00 C ATOM 725 O TYR C 55 7.707 8.225 -11.721 1.00 0.00 O ATOM 726 CB TYR C 55 10.936 8.117 -11.645 1.00 0.00 C ATOM 727 CG TYR C 55 11.905 9.292 -11.498 1.00 0.00 C ATOM 728 CD1 TYR C 55 12.802 9.600 -12.501 1.00 0.00 C ATOM 729 CD2 TYR C 55 11.904 10.053 -10.347 1.00 0.00 C ATOM 730 CE1 TYR C 55 13.686 10.652 -12.351 1.00 0.00 C ATOM 731 CE2 TYR C 55 12.786 11.103 -10.198 1.00 0.00 C ATOM 732 CZ TYR C 55 13.683 11.410 -11.198 1.00 0.00 C ATOM 733 OH TYR C 55 14.564 12.462 -11.049 1.00 0.00 O ATOM 0 H TYR C 55 10.088 10.445 -12.036 1.00 0.00 H new ATOM 0 HA TYR C 55 10.259 8.117 -13.678 1.00 0.00 H new ATOM 0 HB2 TYR C 55 10.453 7.913 -10.689 1.00 0.00 H new ATOM 0 HB3 TYR C 55 11.484 7.217 -11.923 1.00 0.00 H new ATOM 0 HD1 TYR C 55 12.813 9.015 -13.409 1.00 0.00 H new ATOM 0 HD2 TYR C 55 11.206 9.824 -9.555 1.00 0.00 H new ATOM 0 HE1 TYR C 55 14.384 10.882 -13.142 1.00 0.00 H new ATOM 0 HE2 TYR C 55 12.773 11.689 -9.291 1.00 0.00 H new ATOM 0 HH TYR C 55 14.422 12.886 -10.177 1.00 0.00 H new ATOM 743 N ILE C 56 8.446 6.469 -12.803 1.00 0.00 N ATOM 744 CA ILE C 56 7.193 5.721 -12.493 1.00 0.00 C ATOM 745 C ILE C 56 7.532 4.295 -12.042 1.00 0.00 C ATOM 746 O ILE C 56 8.400 3.661 -12.609 1.00 0.00 O ATOM 747 CB ILE C 56 6.310 5.662 -13.742 1.00 0.00 C ATOM 748 CG1 ILE C 56 7.144 5.208 -14.943 1.00 0.00 C ATOM 749 CG2 ILE C 56 5.730 7.050 -14.021 1.00 0.00 C ATOM 750 CD1 ILE C 56 6.787 3.763 -15.294 1.00 0.00 C ATOM 0 H ILE C 56 9.139 5.959 -13.351 1.00 0.00 H new ATOM 0 HA ILE C 56 6.661 6.234 -11.692 1.00 0.00 H new ATOM 0 HB ILE C 56 5.499 4.953 -13.577 1.00 0.00 H new ATOM 0 HG12 ILE C 56 6.955 5.858 -15.797 1.00 0.00 H new ATOM 0 HG13 ILE C 56 8.206 5.286 -14.712 1.00 0.00 H new ATOM 0 HG21 ILE C 56 5.101 7.009 -14.910 1.00 0.00 H new ATOM 0 HG22 ILE C 56 5.133 7.373 -13.168 1.00 0.00 H new ATOM 0 HG23 ILE C 56 6.543 7.758 -14.183 1.00 0.00 H new ATOM 0 HD11 ILE C 56 7.380 3.439 -16.149 1.00 0.00 H new ATOM 0 HD12 ILE C 56 6.998 3.119 -14.441 1.00 0.00 H new ATOM 0 HD13 ILE C 56 5.728 3.700 -15.543 1.00 0.00 H new ATOM 762 N PRO C 57 6.836 3.832 -11.031 1.00 0.00 N ATOM 763 CA PRO C 57 7.050 2.479 -10.489 1.00 0.00 C ATOM 764 C PRO C 57 6.700 1.429 -11.547 1.00 0.00 C ATOM 765 O PRO C 57 5.652 1.479 -12.160 1.00 0.00 O ATOM 766 CB PRO C 57 6.092 2.376 -9.293 1.00 0.00 C ATOM 767 CG PRO C 57 5.299 3.706 -9.209 1.00 0.00 C ATOM 768 CD PRO C 57 5.790 4.615 -10.346 1.00 0.00 C ATOM 0 HA PRO C 57 8.086 2.307 -10.198 1.00 0.00 H new ATOM 0 HB2 PRO C 57 5.413 1.533 -9.419 1.00 0.00 H new ATOM 0 HB3 PRO C 57 6.648 2.203 -8.371 1.00 0.00 H new ATOM 0 HG2 PRO C 57 4.229 3.520 -9.303 1.00 0.00 H new ATOM 0 HG3 PRO C 57 5.456 4.184 -8.242 1.00 0.00 H new ATOM 0 HD2 PRO C 57 4.978 4.870 -11.027 1.00 0.00 H new ATOM 0 HD3 PRO C 57 6.188 5.553 -9.959 1.00 0.00 H new ATOM 776 N SER C 58 7.566 0.480 -11.766 1.00 0.00 N ATOM 777 CA SER C 58 7.278 -0.568 -12.785 1.00 0.00 C ATOM 778 C SER C 58 6.072 -1.399 -12.344 1.00 0.00 C ATOM 779 O SER C 58 5.347 -1.936 -13.157 1.00 0.00 O ATOM 780 CB SER C 58 8.499 -1.478 -12.936 1.00 0.00 C ATOM 781 OG SER C 58 8.315 -2.649 -12.154 1.00 0.00 O ATOM 0 H SER C 58 8.460 0.384 -11.284 1.00 0.00 H new ATOM 0 HA SER C 58 7.056 -0.093 -13.741 1.00 0.00 H new ATOM 0 HB2 SER C 58 8.640 -1.745 -13.983 1.00 0.00 H new ATOM 0 HB3 SER C 58 9.399 -0.953 -12.618 1.00 0.00 H new ATOM 0 HG SER C 58 9.096 -3.233 -12.251 1.00 0.00 H new ATOM 787 N ASN C 59 5.849 -1.509 -11.062 1.00 0.00 N ATOM 788 CA ASN C 59 4.692 -2.305 -10.572 1.00 0.00 C ATOM 789 C ASN C 59 3.388 -1.560 -10.867 1.00 0.00 C ATOM 790 O ASN C 59 2.316 -2.131 -10.832 1.00 0.00 O ATOM 791 CB ASN C 59 4.831 -2.514 -9.065 1.00 0.00 C ATOM 792 CG ASN C 59 5.235 -1.195 -8.403 1.00 0.00 C ATOM 793 OD1 ASN C 59 6.500 -0.931 -8.223 1.00 0.00 O flip ATOM 794 ND2 ASN C 59 4.390 -0.397 -8.046 1.00 0.00 N flip ATOM 0 H ASN C 59 6.420 -1.081 -10.334 1.00 0.00 H new ATOM 0 HA ASN C 59 4.674 -3.270 -11.078 1.00 0.00 H new ATOM 0 HB2 ASN C 59 3.889 -2.869 -8.648 1.00 0.00 H new ATOM 0 HB3 ASN C 59 5.579 -3.280 -8.861 1.00 0.00 H new ATOM 0 HD21 ASN C 59 3.401 -0.604 -8.187 1.00 0.00 H new ATOM 0 HD22 ASN C 59 4.670 0.479 -7.606 1.00 0.00 H new ATOM 801 N TYR C 60 3.468 -0.290 -11.156 1.00 0.00 N ATOM 802 CA TYR C 60 2.230 0.485 -11.450 1.00 0.00 C ATOM 803 C TYR C 60 2.062 0.637 -12.964 1.00 0.00 C ATOM 804 O TYR C 60 1.067 1.150 -13.436 1.00 0.00 O ATOM 805 CB TYR C 60 2.330 1.871 -10.804 1.00 0.00 C ATOM 806 CG TYR C 60 1.855 1.802 -9.347 1.00 0.00 C ATOM 807 CD1 TYR C 60 1.680 0.585 -8.719 1.00 0.00 C ATOM 808 CD2 TYR C 60 1.595 2.959 -8.641 1.00 0.00 C ATOM 809 CE1 TYR C 60 1.254 0.526 -7.408 1.00 0.00 C ATOM 810 CE2 TYR C 60 1.169 2.901 -7.330 1.00 0.00 C ATOM 811 CZ TYR C 60 0.995 1.684 -6.703 1.00 0.00 C ATOM 812 OH TYR C 60 0.568 1.624 -5.391 1.00 0.00 O ATOM 0 H TYR C 60 4.336 0.244 -11.201 1.00 0.00 H new ATOM 0 HA TYR C 60 1.368 -0.045 -11.044 1.00 0.00 H new ATOM 0 HB2 TYR C 60 3.359 2.227 -10.844 1.00 0.00 H new ATOM 0 HB3 TYR C 60 1.724 2.586 -11.360 1.00 0.00 H new ATOM 0 HD1 TYR C 60 1.878 -0.329 -9.259 1.00 0.00 H new ATOM 0 HD2 TYR C 60 1.726 3.918 -9.119 1.00 0.00 H new ATOM 0 HE1 TYR C 60 1.122 -0.433 -6.930 1.00 0.00 H new ATOM 0 HE2 TYR C 60 0.970 3.815 -6.790 1.00 0.00 H new ATOM 0 HH TYR C 60 -0.227 2.187 -5.280 1.00 0.00 H new ATOM 822 N VAL C 61 3.023 0.195 -13.729 1.00 0.00 N ATOM 823 CA VAL C 61 2.910 0.318 -15.211 1.00 0.00 C ATOM 824 C VAL C 61 3.240 -1.027 -15.860 1.00 0.00 C ATOM 825 O VAL C 61 3.757 -1.926 -15.228 1.00 0.00 O ATOM 826 CB VAL C 61 3.883 1.395 -15.710 1.00 0.00 C ATOM 827 CG1 VAL C 61 5.204 1.281 -14.945 1.00 0.00 C ATOM 828 CG2 VAL C 61 4.147 1.223 -17.209 1.00 0.00 C ATOM 0 H VAL C 61 3.880 -0.245 -13.393 1.00 0.00 H new ATOM 0 HA VAL C 61 1.893 0.604 -15.479 1.00 0.00 H new ATOM 0 HB VAL C 61 3.440 2.376 -15.540 1.00 0.00 H new ATOM 0 HG11 VAL C 61 5.896 2.045 -15.298 1.00 0.00 H new ATOM 0 HG12 VAL C 61 5.021 1.422 -13.880 1.00 0.00 H new ATOM 0 HG13 VAL C 61 5.637 0.295 -15.111 1.00 0.00 H new ATOM 0 HG21 VAL C 61 4.839 1.994 -17.547 1.00 0.00 H new ATOM 0 HG22 VAL C 61 4.582 0.240 -17.391 1.00 0.00 H new ATOM 0 HG23 VAL C 61 3.209 1.312 -17.756 1.00 0.00 H new ATOM 838 N ALA C 62 2.942 -1.165 -17.121 1.00 0.00 N ATOM 839 CA ALA C 62 3.236 -2.449 -17.821 1.00 0.00 C ATOM 840 C ALA C 62 2.933 -2.298 -19.316 1.00 0.00 C ATOM 841 O ALA C 62 2.037 -1.569 -19.694 1.00 0.00 O ATOM 842 CB ALA C 62 2.363 -3.560 -17.233 1.00 0.00 C ATOM 0 H ALA C 62 2.508 -0.445 -17.699 1.00 0.00 H new ATOM 0 HA ALA C 62 4.288 -2.703 -17.688 1.00 0.00 H new ATOM 0 HB1 ALA C 62 2.577 -4.499 -17.743 1.00 0.00 H new ATOM 0 HB2 ALA C 62 2.578 -3.668 -16.170 1.00 0.00 H new ATOM 0 HB3 ALA C 62 1.312 -3.306 -17.366 1.00 0.00 H new ATOM 848 N PRO C 63 3.697 -2.994 -20.123 1.00 0.00 N ATOM 849 CA PRO C 63 3.532 -2.957 -21.586 1.00 0.00 C ATOM 850 C PRO C 63 2.164 -3.527 -21.979 1.00 0.00 C ATOM 851 O PRO C 63 1.962 -4.724 -21.993 1.00 0.00 O ATOM 852 CB PRO C 63 4.658 -3.846 -22.133 1.00 0.00 C ATOM 853 CG PRO C 63 5.431 -4.425 -20.920 1.00 0.00 C ATOM 854 CD PRO C 63 4.788 -3.863 -19.643 1.00 0.00 C ATOM 0 HA PRO C 63 3.581 -1.943 -21.982 1.00 0.00 H new ATOM 0 HB2 PRO C 63 4.248 -4.650 -22.745 1.00 0.00 H new ATOM 0 HB3 PRO C 63 5.326 -3.268 -22.772 1.00 0.00 H new ATOM 0 HG2 PRO C 63 5.386 -5.514 -20.923 1.00 0.00 H new ATOM 0 HG3 PRO C 63 6.484 -4.149 -20.971 1.00 0.00 H new ATOM 0 HD2 PRO C 63 4.407 -4.662 -19.007 1.00 0.00 H new ATOM 0 HD3 PRO C 63 5.510 -3.301 -19.051 1.00 0.00 H new ATOM 862 N SER C 64 1.226 -2.678 -22.299 1.00 0.00 N ATOM 863 CA SER C 64 -0.123 -3.174 -22.689 1.00 0.00 C ATOM 864 C SER C 64 -0.162 -3.402 -24.201 1.00 0.00 C ATOM 865 O SER C 64 0.900 -3.521 -24.789 1.00 0.00 O ATOM 866 CB SER C 64 -1.180 -2.137 -22.302 1.00 0.00 C ATOM 867 OG SER C 64 -1.685 -2.437 -21.009 1.00 0.00 O ATOM 868 OXT SER C 64 -1.252 -3.456 -24.745 1.00 0.00 O ATOM 0 H SER C 64 1.336 -1.664 -22.307 1.00 0.00 H new ATOM 0 HA SER C 64 -0.329 -4.112 -22.173 1.00 0.00 H new ATOM 0 HB2 SER C 64 -0.745 -1.138 -22.312 1.00 0.00 H new ATOM 0 HB3 SER C 64 -1.991 -2.139 -23.030 1.00 0.00 H new ATOM 0 HG SER C 64 -2.361 -1.773 -20.759 1.00 0.00 H new ATOM 875 N ARG R 71 12.592 -0.316 -3.432 1.00 0.00 N ATOM 876 CA ARG R 71 12.755 0.933 -2.636 1.00 0.00 C ATOM 877 C ARG R 71 11.413 1.315 -2.005 1.00 0.00 C ATOM 878 O ARG R 71 10.976 2.446 -2.088 1.00 0.00 O ATOM 879 CB ARG R 71 13.226 2.063 -3.554 1.00 0.00 C ATOM 880 CG ARG R 71 12.077 2.487 -4.470 1.00 0.00 C ATOM 881 CD ARG R 71 11.698 3.940 -4.182 1.00 0.00 C ATOM 882 NE ARG R 71 12.097 4.794 -5.337 1.00 0.00 N ATOM 883 CZ ARG R 71 11.542 5.963 -5.516 1.00 0.00 C ATOM 884 NH1 ARG R 71 10.637 6.398 -4.682 1.00 0.00 N ATOM 885 NH2 ARG R 71 11.897 6.702 -6.532 1.00 0.00 N ATOM 0 HA ARG R 71 13.493 0.770 -1.850 1.00 0.00 H new ATOM 0 HB2 ARG R 71 13.564 2.912 -2.960 1.00 0.00 H new ATOM 0 HB3 ARG R 71 14.077 1.732 -4.149 1.00 0.00 H new ATOM 0 HG2 ARG R 71 12.372 2.378 -5.514 1.00 0.00 H new ATOM 0 HG3 ARG R 71 11.215 1.838 -4.313 1.00 0.00 H new ATOM 0 HD2 ARG R 71 10.625 4.020 -4.010 1.00 0.00 H new ATOM 0 HD3 ARG R 71 12.193 4.283 -3.274 1.00 0.00 H new ATOM 0 HE ARG R 71 12.807 4.464 -5.991 1.00 0.00 H new ATOM 0 HH11 ARG R 71 10.360 5.824 -3.885 1.00 0.00 H new ATOM 0 HH12 ARG R 71 10.207 7.312 -4.827 1.00 0.00 H new ATOM 0 HH21 ARG R 71 12.606 6.366 -7.184 1.00 0.00 H new ATOM 0 HH22 ARG R 71 11.465 7.615 -6.674 1.00 0.00 H new ATOM 901 N ALA R 72 10.755 0.380 -1.374 1.00 0.00 N ATOM 902 CA ALA R 72 9.443 0.691 -0.738 1.00 0.00 C ATOM 903 C ALA R 72 8.421 1.046 -1.820 1.00 0.00 C ATOM 904 O ALA R 72 7.850 2.117 -1.820 1.00 0.00 O ATOM 905 CB ALA R 72 9.605 1.875 0.217 1.00 0.00 C ATOM 0 H ALA R 72 11.069 -0.585 -1.272 1.00 0.00 H new ATOM 0 HA ALA R 72 9.096 -0.180 -0.182 1.00 0.00 H new ATOM 0 HB1 ALA R 72 8.645 2.102 0.682 1.00 0.00 H new ATOM 0 HB2 ALA R 72 10.331 1.623 0.989 1.00 0.00 H new ATOM 0 HB3 ALA R 72 9.954 2.745 -0.339 1.00 0.00 H new ATOM 911 N LEU R 73 8.188 0.153 -2.744 1.00 0.00 N ATOM 912 CA LEU R 73 7.204 0.439 -3.827 1.00 0.00 C ATOM 913 C LEU R 73 5.956 1.091 -3.222 1.00 0.00 C ATOM 914 O LEU R 73 5.712 0.973 -2.038 1.00 0.00 O ATOM 915 CB LEU R 73 6.813 -0.872 -4.513 1.00 0.00 C ATOM 916 CG LEU R 73 7.992 -1.387 -5.341 1.00 0.00 C ATOM 917 CD1 LEU R 73 7.525 -2.546 -6.226 1.00 0.00 C ATOM 918 CD2 LEU R 73 8.531 -0.258 -6.222 1.00 0.00 C ATOM 0 H LEU R 73 8.636 -0.762 -2.795 1.00 0.00 H new ATOM 0 HA LEU R 73 7.649 1.115 -4.557 1.00 0.00 H new ATOM 0 HB2 LEU R 73 6.527 -1.614 -3.767 1.00 0.00 H new ATOM 0 HB3 LEU R 73 5.946 -0.715 -5.154 1.00 0.00 H new ATOM 0 HG LEU R 73 8.781 -1.733 -4.673 1.00 0.00 H new ATOM 0 HD11 LEU R 73 8.364 -2.914 -6.817 1.00 0.00 H new ATOM 0 HD12 LEU R 73 7.142 -3.351 -5.599 1.00 0.00 H new ATOM 0 HD13 LEU R 73 6.736 -2.199 -6.893 1.00 0.00 H new ATOM 0 HD21 LEU R 73 9.371 -0.626 -6.811 1.00 0.00 H new ATOM 0 HD22 LEU R 73 7.743 0.090 -6.890 1.00 0.00 H new ATOM 0 HD23 LEU R 73 8.863 0.568 -5.593 1.00 0.00 H new ATOM 930 N PRO R 74 5.202 1.761 -4.057 1.00 0.00 N ATOM 931 CA PRO R 74 3.970 2.443 -3.624 1.00 0.00 C ATOM 932 C PRO R 74 2.985 1.431 -3.028 1.00 0.00 C ATOM 933 O PRO R 74 3.082 0.247 -3.285 1.00 0.00 O ATOM 934 CB PRO R 74 3.400 3.075 -4.895 1.00 0.00 C ATOM 935 CG PRO R 74 4.352 2.722 -6.067 1.00 0.00 C ATOM 936 CD PRO R 74 5.511 1.889 -5.494 1.00 0.00 C ATOM 0 HA PRO R 74 4.158 3.188 -2.851 1.00 0.00 H new ATOM 0 HB2 PRO R 74 2.396 2.699 -5.092 1.00 0.00 H new ATOM 0 HB3 PRO R 74 3.319 4.156 -4.781 1.00 0.00 H new ATOM 0 HG2 PRO R 74 3.821 2.160 -6.835 1.00 0.00 H new ATOM 0 HG3 PRO R 74 4.730 3.629 -6.539 1.00 0.00 H new ATOM 0 HD2 PRO R 74 5.573 0.913 -5.975 1.00 0.00 H new ATOM 0 HD3 PRO R 74 6.470 2.383 -5.651 1.00 0.00 H new ATOM 944 N PRO R 75 2.063 1.932 -2.245 1.00 0.00 N ATOM 945 CA PRO R 75 1.042 1.093 -1.593 1.00 0.00 C ATOM 946 C PRO R 75 0.199 0.355 -2.638 1.00 0.00 C ATOM 947 O PRO R 75 -0.800 0.859 -3.113 1.00 0.00 O ATOM 948 CB PRO R 75 0.173 2.077 -0.796 1.00 0.00 C ATOM 949 CG PRO R 75 0.758 3.498 -1.006 1.00 0.00 C ATOM 950 CD PRO R 75 1.965 3.373 -1.949 1.00 0.00 C ATOM 0 HA PRO R 75 1.487 0.328 -0.957 1.00 0.00 H new ATOM 0 HB2 PRO R 75 -0.862 2.035 -1.136 1.00 0.00 H new ATOM 0 HB3 PRO R 75 0.172 1.816 0.262 1.00 0.00 H new ATOM 0 HG2 PRO R 75 0.006 4.162 -1.433 1.00 0.00 H new ATOM 0 HG3 PRO R 75 1.061 3.931 -0.053 1.00 0.00 H new ATOM 0 HD2 PRO R 75 1.818 3.955 -2.859 1.00 0.00 H new ATOM 0 HD3 PRO R 75 2.875 3.743 -1.478 1.00 0.00 H new ATOM 958 N LEU R 76 0.595 -0.834 -3.001 1.00 0.00 N ATOM 959 CA LEU R 76 -0.181 -1.604 -4.014 1.00 0.00 C ATOM 960 C LEU R 76 -1.595 -1.859 -3.480 1.00 0.00 C ATOM 961 O LEU R 76 -1.838 -1.729 -2.296 1.00 0.00 O ATOM 962 CB LEU R 76 0.514 -2.942 -4.276 1.00 0.00 C ATOM 963 CG LEU R 76 1.603 -2.750 -5.334 1.00 0.00 C ATOM 964 CD1 LEU R 76 2.621 -3.889 -5.232 1.00 0.00 C ATOM 965 CD2 LEU R 76 0.967 -2.758 -6.727 1.00 0.00 C ATOM 0 H LEU R 76 1.424 -1.306 -2.639 1.00 0.00 H new ATOM 0 HA LEU R 76 -0.238 -1.036 -4.943 1.00 0.00 H new ATOM 0 HB2 LEU R 76 0.951 -3.324 -3.353 1.00 0.00 H new ATOM 0 HB3 LEU R 76 -0.212 -3.681 -4.615 1.00 0.00 H new ATOM 0 HG LEU R 76 2.106 -1.797 -5.169 1.00 0.00 H new ATOM 0 HD11 LEU R 76 3.397 -3.752 -5.986 1.00 0.00 H new ATOM 0 HD12 LEU R 76 3.074 -3.885 -4.240 1.00 0.00 H new ATOM 0 HD13 LEU R 76 2.118 -4.842 -5.397 1.00 0.00 H new ATOM 0 HD21 LEU R 76 1.742 -2.621 -7.481 1.00 0.00 H new ATOM 0 HD22 LEU R 76 0.464 -3.711 -6.892 1.00 0.00 H new ATOM 0 HD23 LEU R 76 0.242 -1.948 -6.801 1.00 0.00 H new