USER MOD reduce.3.24.130724 H: found=0, std=0, add=647, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 647 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: A 58 SER OG : rot 69:sc= 0.0719 USER MOD Set 1.2: A 59 ASN : amide:sc= 0.056 X(o=0.13,f=-0.013) USER MOD Set 2.1: A 1 MET N :NH3+ 165:sc= 1.44 (180deg=1.77) USER MOD Set 2.2: A 64 GLN : amide:sc= 0.745 K(o=2.2,f=0.66) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 4 SER OG : rot 180:sc= 0.00382 USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 CYS SG : rot 56:sc= 0.5 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 19 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 20 THR OG1 : rot -95:sc= 1.31 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 ASN : amide:sc=-0.00315 K(o=-0.0031,f=-0.88) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 SER OG : rot 36:sc= 0.384 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 61 GLN : amide:sc= 0 X(o=0,f=-0.44) USER MOD Single : A 63 MET CE :methyl 175:sc= -0.399 (180deg=-0.45) USER MOD Single : A 70 MET CE :methyl 136:sc= -0.438 (180deg=-1.18) USER MOD Single : A 71 ASN : amide:sc= -0.0135 K(o=-0.014,f=-1.1) USER MOD Single : A 73 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00416) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 83 ASN : amide:sc= 0.9 K(o=0.9,f=0) USER MOD Single : A 86 GLN : amide:sc= 0 X(o=0,f=-0.0018) USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 8.142 -10.000 -8.833 1.00 0.00 N ATOM 2 CA MET A 1 9.075 -10.880 -9.566 1.00 0.00 C ATOM 3 C MET A 1 10.430 -10.173 -9.705 1.00 0.00 C ATOM 4 O MET A 1 10.958 -9.674 -8.711 1.00 0.00 O ATOM 5 CB MET A 1 8.481 -11.349 -10.907 1.00 0.00 C ATOM 6 CG MET A 1 7.143 -12.085 -10.777 1.00 0.00 C ATOM 7 SD MET A 1 7.065 -13.365 -9.493 1.00 0.00 S ATOM 8 CE MET A 1 8.260 -14.569 -10.139 1.00 0.00 C ATOM 0 H1 MET A 1 7.170 -10.349 -8.953 1.00 0.00 H new ATOM 0 H2 MET A 1 8.388 -9.999 -7.822 1.00 0.00 H new ATOM 0 H3 MET A 1 8.211 -9.032 -9.207 1.00 0.00 H new ATOM 0 HA MET A 1 9.239 -11.796 -8.999 1.00 0.00 H new ATOM 0 HB2 MET A 1 8.345 -10.483 -11.554 1.00 0.00 H new ATOM 0 HB3 MET A 1 9.198 -12.006 -11.400 1.00 0.00 H new ATOM 0 HG2 MET A 1 6.364 -11.350 -10.578 1.00 0.00 H new ATOM 0 HG3 MET A 1 6.909 -12.546 -11.737 1.00 0.00 H new ATOM 0 HE1 MET A 1 8.325 -15.418 -9.458 1.00 0.00 H new ATOM 0 HE2 MET A 1 7.934 -14.915 -11.120 1.00 0.00 H new ATOM 0 HE3 MET A 1 9.239 -14.098 -10.227 1.00 0.00 H new ATOM 20 N ALA A 2 10.984 -10.089 -10.919 1.00 0.00 N ATOM 21 CA ALA A 2 12.063 -9.182 -11.297 1.00 0.00 C ATOM 22 C ALA A 2 11.486 -8.131 -12.264 1.00 0.00 C ATOM 23 O ALA A 2 11.167 -8.433 -13.418 1.00 0.00 O ATOM 24 CB ALA A 2 13.204 -10.011 -11.900 1.00 0.00 C ATOM 0 H ALA A 2 10.677 -10.677 -11.694 1.00 0.00 H new ATOM 0 HA ALA A 2 12.477 -8.645 -10.444 1.00 0.00 H new ATOM 0 HB1 ALA A 2 14.021 -9.350 -12.189 1.00 0.00 H new ATOM 0 HB2 ALA A 2 13.562 -10.729 -11.162 1.00 0.00 H new ATOM 0 HB3 ALA A 2 12.841 -10.545 -12.778 1.00 0.00 H new ATOM 30 N GLU A 3 11.267 -6.913 -11.767 1.00 0.00 N ATOM 31 CA GLU A 3 10.543 -5.852 -12.481 1.00 0.00 C ATOM 32 C GLU A 3 11.441 -5.105 -13.496 1.00 0.00 C ATOM 33 O GLU A 3 11.963 -4.017 -13.232 1.00 0.00 O ATOM 34 CB GLU A 3 9.878 -4.897 -11.468 1.00 0.00 C ATOM 35 CG GLU A 3 8.575 -5.403 -10.824 1.00 0.00 C ATOM 36 CD GLU A 3 8.690 -6.710 -10.025 1.00 0.00 C ATOM 37 OE1 GLU A 3 9.324 -6.723 -8.946 1.00 0.00 O ATOM 38 OE2 GLU A 3 8.086 -7.728 -10.448 1.00 0.00 O ATOM 0 H GLU A 3 11.591 -6.628 -10.843 1.00 0.00 H new ATOM 0 HA GLU A 3 9.757 -6.317 -13.077 1.00 0.00 H new ATOM 0 HB2 GLU A 3 10.594 -4.684 -10.674 1.00 0.00 H new ATOM 0 HB3 GLU A 3 9.669 -3.953 -11.971 1.00 0.00 H new ATOM 0 HG2 GLU A 3 8.193 -4.626 -10.161 1.00 0.00 H new ATOM 0 HG3 GLU A 3 7.834 -5.544 -11.610 1.00 0.00 H new ATOM 45 N SER A 4 11.595 -5.679 -14.694 1.00 0.00 N ATOM 46 CA SER A 4 12.283 -5.041 -15.835 1.00 0.00 C ATOM 47 C SER A 4 11.471 -3.872 -16.430 1.00 0.00 C ATOM 48 O SER A 4 10.367 -3.575 -15.970 1.00 0.00 O ATOM 49 CB SER A 4 12.649 -6.057 -16.927 1.00 0.00 C ATOM 50 OG SER A 4 12.921 -7.341 -16.397 1.00 0.00 O ATOM 0 H SER A 4 11.243 -6.612 -14.907 1.00 0.00 H new ATOM 0 HA SER A 4 13.210 -4.628 -15.436 1.00 0.00 H new ATOM 0 HB2 SER A 4 11.830 -6.128 -17.643 1.00 0.00 H new ATOM 0 HB3 SER A 4 13.521 -5.700 -17.474 1.00 0.00 H new ATOM 0 HG SER A 4 13.147 -7.955 -17.127 1.00 0.00 H new ATOM 56 N ASP A 5 11.995 -3.178 -17.447 1.00 0.00 N ATOM 57 CA ASP A 5 11.506 -1.859 -17.899 1.00 0.00 C ATOM 58 C ASP A 5 10.044 -1.798 -18.403 1.00 0.00 C ATOM 59 O ASP A 5 9.509 -0.694 -18.541 1.00 0.00 O ATOM 60 CB ASP A 5 12.417 -1.325 -19.018 1.00 0.00 C ATOM 61 CG ASP A 5 13.890 -1.233 -18.623 1.00 0.00 C ATOM 62 OD1 ASP A 5 14.574 -2.283 -18.610 1.00 0.00 O ATOM 63 OD2 ASP A 5 14.368 -0.121 -18.307 1.00 0.00 O ATOM 0 H ASP A 5 12.786 -3.519 -17.993 1.00 0.00 H new ATOM 0 HA ASP A 5 11.532 -1.248 -16.997 1.00 0.00 H new ATOM 0 HB2 ASP A 5 12.324 -1.973 -19.890 1.00 0.00 H new ATOM 0 HB3 ASP A 5 12.068 -0.337 -19.317 1.00 0.00 H new ATOM 68 N GLY A 6 9.405 -2.933 -18.713 1.00 0.00 N ATOM 69 CA GLY A 6 7.987 -3.015 -19.110 1.00 0.00 C ATOM 70 C GLY A 6 7.017 -3.277 -17.948 1.00 0.00 C ATOM 71 O GLY A 6 5.832 -2.933 -18.034 1.00 0.00 O ATOM 0 H GLY A 6 9.867 -3.842 -18.695 1.00 0.00 H new ATOM 0 HA2 GLY A 6 7.705 -2.083 -19.600 1.00 0.00 H new ATOM 0 HA3 GLY A 6 7.874 -3.809 -19.848 1.00 0.00 H new ATOM 75 N ALA A 7 7.511 -3.846 -16.845 1.00 0.00 N ATOM 76 CA ALA A 7 6.782 -4.003 -15.585 1.00 0.00 C ATOM 77 C ALA A 7 6.803 -2.693 -14.771 1.00 0.00 C ATOM 78 O ALA A 7 7.289 -1.661 -15.244 1.00 0.00 O ATOM 79 CB ALA A 7 7.403 -5.188 -14.834 1.00 0.00 C ATOM 0 H ALA A 7 8.459 -4.221 -16.804 1.00 0.00 H new ATOM 0 HA ALA A 7 5.728 -4.215 -15.765 1.00 0.00 H new ATOM 0 HB1 ALA A 7 6.882 -5.333 -13.888 1.00 0.00 H new ATOM 0 HB2 ALA A 7 7.313 -6.090 -15.439 1.00 0.00 H new ATOM 0 HB3 ALA A 7 8.456 -4.984 -14.640 1.00 0.00 H new ATOM 85 N GLU A 8 6.289 -2.703 -13.539 1.00 0.00 N ATOM 86 CA GLU A 8 6.332 -1.549 -12.628 1.00 0.00 C ATOM 87 C GLU A 8 6.668 -1.961 -11.186 1.00 0.00 C ATOM 88 O GLU A 8 6.055 -2.887 -10.649 1.00 0.00 O ATOM 89 CB GLU A 8 5.027 -0.732 -12.736 1.00 0.00 C ATOM 90 CG GLU A 8 3.701 -1.501 -12.565 1.00 0.00 C ATOM 91 CD GLU A 8 2.505 -0.595 -12.888 1.00 0.00 C ATOM 92 OE1 GLU A 8 2.416 -0.076 -14.031 1.00 0.00 O ATOM 93 OE2 GLU A 8 1.622 -0.405 -12.020 1.00 0.00 O ATOM 0 H GLU A 8 5.826 -3.519 -13.139 1.00 0.00 H new ATOM 0 HA GLU A 8 7.149 -0.897 -12.938 1.00 0.00 H new ATOM 0 HB2 GLU A 8 5.059 0.058 -11.986 1.00 0.00 H new ATOM 0 HB3 GLU A 8 5.012 -0.245 -13.711 1.00 0.00 H new ATOM 0 HG2 GLU A 8 3.692 -2.372 -13.221 1.00 0.00 H new ATOM 0 HG3 GLU A 8 3.618 -1.871 -11.543 1.00 0.00 H new ATOM 100 N TYR A 9 7.616 -1.269 -10.536 1.00 0.00 N ATOM 101 CA TYR A 9 7.897 -1.465 -9.105 1.00 0.00 C ATOM 102 C TYR A 9 6.963 -0.575 -8.264 1.00 0.00 C ATOM 103 O TYR A 9 7.330 0.446 -7.678 1.00 0.00 O ATOM 104 CB TYR A 9 9.401 -1.374 -8.770 1.00 0.00 C ATOM 105 CG TYR A 9 10.308 -0.559 -9.669 1.00 0.00 C ATOM 106 CD1 TYR A 9 10.775 -1.113 -10.874 1.00 0.00 C ATOM 107 CD2 TYR A 9 10.771 0.703 -9.255 1.00 0.00 C ATOM 108 CE1 TYR A 9 11.691 -0.406 -11.670 1.00 0.00 C ATOM 109 CE2 TYR A 9 11.685 1.419 -10.053 1.00 0.00 C ATOM 110 CZ TYR A 9 12.150 0.863 -11.262 1.00 0.00 C ATOM 111 OH TYR A 9 13.036 1.551 -12.029 1.00 0.00 O ATOM 0 H TYR A 9 8.204 -0.565 -10.982 1.00 0.00 H new ATOM 0 HA TYR A 9 7.661 -2.492 -8.826 1.00 0.00 H new ATOM 0 HB2 TYR A 9 9.489 -0.970 -7.761 1.00 0.00 H new ATOM 0 HB3 TYR A 9 9.793 -2.391 -8.742 1.00 0.00 H new ATOM 0 HD1 TYR A 9 10.428 -2.086 -11.189 1.00 0.00 H new ATOM 0 HD2 TYR A 9 10.425 1.124 -8.323 1.00 0.00 H new ATOM 0 HE1 TYR A 9 12.044 -0.835 -12.596 1.00 0.00 H new ATOM 0 HE2 TYR A 9 12.029 2.393 -9.739 1.00 0.00 H new ATOM 0 HH TYR A 9 13.245 2.407 -11.600 1.00 0.00 H new ATOM 121 N ARG A 10 5.718 -1.056 -8.215 1.00 0.00 N ATOM 122 CA ARG A 10 4.535 -0.531 -7.529 1.00 0.00 C ATOM 123 C ARG A 10 3.747 -1.735 -7.007 1.00 0.00 C ATOM 124 O ARG A 10 3.681 -2.758 -7.690 1.00 0.00 O ATOM 125 CB ARG A 10 3.747 0.310 -8.551 1.00 0.00 C ATOM 126 CG ARG A 10 2.390 0.868 -8.088 1.00 0.00 C ATOM 127 CD ARG A 10 1.812 1.714 -9.231 1.00 0.00 C ATOM 128 NE ARG A 10 0.398 2.096 -9.026 1.00 0.00 N ATOM 129 CZ ARG A 10 -0.621 1.752 -9.798 1.00 0.00 C ATOM 130 NH1 ARG A 10 -0.515 0.930 -10.800 1.00 0.00 N ATOM 131 NH2 ARG A 10 -1.811 2.233 -9.613 1.00 0.00 N ATOM 0 H ARG A 10 5.490 -1.918 -8.710 1.00 0.00 H new ATOM 0 HA ARG A 10 4.770 0.112 -6.681 1.00 0.00 H new ATOM 0 HB2 ARG A 10 4.373 1.148 -8.857 1.00 0.00 H new ATOM 0 HB3 ARG A 10 3.579 -0.302 -9.437 1.00 0.00 H new ATOM 0 HG2 ARG A 10 1.710 0.055 -7.834 1.00 0.00 H new ATOM 0 HG3 ARG A 10 2.513 1.473 -7.190 1.00 0.00 H new ATOM 0 HD2 ARG A 10 2.412 2.617 -9.343 1.00 0.00 H new ATOM 0 HD3 ARG A 10 1.898 1.157 -10.164 1.00 0.00 H new ATOM 0 HE ARG A 10 0.189 2.678 -8.215 1.00 0.00 H new ATOM 0 HH11 ARG A 10 0.389 0.514 -11.025 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -1.336 0.701 -11.361 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -1.981 2.895 -8.856 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -2.577 1.949 -10.224 1.00 0.00 H new ATOM 145 N CYS A 11 3.152 -1.649 -5.822 1.00 0.00 N ATOM 146 CA CYS A 11 2.382 -2.740 -5.220 1.00 0.00 C ATOM 147 C CYS A 11 0.993 -2.275 -4.762 1.00 0.00 C ATOM 148 O CYS A 11 0.779 -1.100 -4.471 1.00 0.00 O ATOM 149 CB CYS A 11 3.242 -3.462 -4.155 1.00 0.00 C ATOM 150 SG CYS A 11 2.655 -3.300 -2.440 1.00 0.00 S ATOM 0 H CYS A 11 3.189 -0.810 -5.243 1.00 0.00 H new ATOM 0 HA CYS A 11 2.152 -3.497 -5.970 1.00 0.00 H new ATOM 0 HB2 CYS A 11 3.289 -4.521 -4.407 1.00 0.00 H new ATOM 0 HB3 CYS A 11 4.260 -3.076 -4.211 1.00 0.00 H new ATOM 0 HG CYS A 11 1.426 -3.717 -2.361 1.00 0.00 H new ATOM 156 N PHE A 12 0.047 -3.210 -4.725 1.00 0.00 N ATOM 157 CA PHE A 12 -1.272 -3.072 -4.113 1.00 0.00 C ATOM 158 C PHE A 12 -1.201 -3.470 -2.630 1.00 0.00 C ATOM 159 O PHE A 12 -0.417 -4.350 -2.257 1.00 0.00 O ATOM 160 CB PHE A 12 -2.256 -3.943 -4.899 1.00 0.00 C ATOM 161 CG PHE A 12 -3.695 -3.860 -4.435 1.00 0.00 C ATOM 162 CD1 PHE A 12 -4.529 -2.831 -4.911 1.00 0.00 C ATOM 163 CD2 PHE A 12 -4.209 -4.827 -3.550 1.00 0.00 C ATOM 164 CE1 PHE A 12 -5.878 -2.785 -4.520 1.00 0.00 C ATOM 165 CE2 PHE A 12 -5.557 -4.775 -3.153 1.00 0.00 C ATOM 166 CZ PHE A 12 -6.393 -3.759 -3.646 1.00 0.00 C ATOM 0 H PHE A 12 0.187 -4.130 -5.142 1.00 0.00 H new ATOM 0 HA PHE A 12 -1.616 -2.038 -4.149 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -2.212 -3.657 -5.950 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -1.929 -4.981 -4.837 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -4.133 -2.078 -5.576 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -3.567 -5.610 -3.175 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -6.520 -2.000 -4.891 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -5.949 -5.515 -2.470 1.00 0.00 H new ATOM 0 HZ PHE A 12 -7.432 -3.726 -3.353 1.00 0.00 H new ATOM 176 N VAL A 13 -2.002 -2.814 -1.790 1.00 0.00 N ATOM 177 CA VAL A 13 -1.902 -2.843 -0.325 1.00 0.00 C ATOM 178 C VAL A 13 -3.302 -3.023 0.270 1.00 0.00 C ATOM 179 O VAL A 13 -4.081 -2.068 0.311 1.00 0.00 O ATOM 180 CB VAL A 13 -1.261 -1.530 0.199 1.00 0.00 C ATOM 181 CG1 VAL A 13 -0.886 -1.661 1.677 1.00 0.00 C ATOM 182 CG2 VAL A 13 0.026 -1.103 -0.519 1.00 0.00 C ATOM 0 H VAL A 13 -2.767 -2.226 -2.120 1.00 0.00 H new ATOM 0 HA VAL A 13 -1.268 -3.676 -0.023 1.00 0.00 H new ATOM 0 HB VAL A 13 -2.031 -0.781 0.015 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -0.439 -0.729 2.023 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -1.781 -1.873 2.262 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -0.171 -2.474 1.800 1.00 0.00 H new ATOM 0 HG21 VAL A 13 0.396 -0.176 -0.081 1.00 0.00 H new ATOM 0 HG22 VAL A 13 0.780 -1.883 -0.409 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -0.183 -0.947 -1.577 1.00 0.00 H new ATOM 192 N GLY A 14 -3.640 -4.228 0.739 1.00 0.00 N ATOM 193 CA GLY A 14 -4.888 -4.469 1.472 1.00 0.00 C ATOM 194 C GLY A 14 -4.638 -4.485 2.979 1.00 0.00 C ATOM 195 O GLY A 14 -3.931 -5.364 3.477 1.00 0.00 O ATOM 0 H GLY A 14 -3.061 -5.059 0.623 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -5.614 -3.694 1.228 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -5.320 -5.420 1.160 1.00 0.00 H new ATOM 199 N SER A 15 -5.258 -3.558 3.715 1.00 0.00 N ATOM 200 CA SER A 15 -5.115 -3.433 5.182 1.00 0.00 C ATOM 201 C SER A 15 -6.003 -2.357 5.808 1.00 0.00 C ATOM 202 O SER A 15 -6.422 -2.527 6.953 1.00 0.00 O ATOM 203 CB SER A 15 -3.673 -3.059 5.576 1.00 0.00 C ATOM 204 OG SER A 15 -3.195 -1.961 4.818 1.00 0.00 O ATOM 0 H SER A 15 -5.883 -2.861 3.311 1.00 0.00 H new ATOM 0 HA SER A 15 -5.409 -4.414 5.554 1.00 0.00 H new ATOM 0 HB2 SER A 15 -3.637 -2.813 6.637 1.00 0.00 H new ATOM 0 HB3 SER A 15 -3.019 -3.918 5.426 1.00 0.00 H new ATOM 0 HG SER A 15 -2.279 -1.748 5.093 1.00 0.00 H new ATOM 210 N LEU A 16 -6.238 -1.251 5.088 1.00 0.00 N ATOM 211 CA LEU A 16 -6.731 0.017 5.641 1.00 0.00 C ATOM 212 C LEU A 16 -8.167 -0.066 6.187 1.00 0.00 C ATOM 213 O LEU A 16 -8.931 -1.012 5.955 1.00 0.00 O ATOM 214 CB LEU A 16 -6.583 1.171 4.612 1.00 0.00 C ATOM 215 CG LEU A 16 -5.251 1.258 3.855 1.00 0.00 C ATOM 216 CD1 LEU A 16 -5.329 2.485 2.958 1.00 0.00 C ATOM 217 CD2 LEU A 16 -4.032 1.410 4.759 1.00 0.00 C ATOM 0 H LEU A 16 -6.087 -1.213 4.080 1.00 0.00 H new ATOM 0 HA LEU A 16 -6.099 0.236 6.502 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -7.384 1.077 3.879 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -6.738 2.114 5.135 1.00 0.00 H new ATOM 0 HG LEU A 16 -5.119 0.324 3.309 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -4.399 2.586 2.398 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -6.161 2.375 2.262 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -5.483 3.374 3.570 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -3.131 1.464 4.148 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -4.127 2.322 5.348 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -3.966 0.552 5.428 1.00 0.00 H new ATOM 229 N SER A 17 -8.515 0.982 6.924 1.00 0.00 N ATOM 230 CA SER A 17 -9.734 1.112 7.725 1.00 0.00 C ATOM 231 C SER A 17 -10.187 2.578 7.771 1.00 0.00 C ATOM 232 O SER A 17 -9.489 3.454 7.257 1.00 0.00 O ATOM 233 CB SER A 17 -9.438 0.564 9.127 1.00 0.00 C ATOM 234 OG SER A 17 -10.631 0.413 9.872 1.00 0.00 O ATOM 0 H SER A 17 -7.924 1.811 6.985 1.00 0.00 H new ATOM 0 HA SER A 17 -10.551 0.543 7.281 1.00 0.00 H new ATOM 0 HB2 SER A 17 -8.931 -0.397 9.046 1.00 0.00 H new ATOM 0 HB3 SER A 17 -8.761 1.239 9.650 1.00 0.00 H new ATOM 0 HG SER A 17 -10.419 0.061 10.762 1.00 0.00 H new ATOM 240 N TRP A 18 -11.340 2.855 8.380 1.00 0.00 N ATOM 241 CA TRP A 18 -11.931 4.192 8.563 1.00 0.00 C ATOM 242 C TRP A 18 -10.944 5.265 9.075 1.00 0.00 C ATOM 243 O TRP A 18 -11.040 6.428 8.676 1.00 0.00 O ATOM 244 CB TRP A 18 -13.110 4.014 9.532 1.00 0.00 C ATOM 245 CG TRP A 18 -13.924 5.229 9.857 1.00 0.00 C ATOM 246 CD1 TRP A 18 -14.960 5.696 9.126 1.00 0.00 C ATOM 247 CD2 TRP A 18 -13.831 6.111 11.017 1.00 0.00 C ATOM 248 NE1 TRP A 18 -15.530 6.785 9.758 1.00 0.00 N ATOM 249 CE2 TRP A 18 -14.880 7.078 10.936 1.00 0.00 C ATOM 250 CE3 TRP A 18 -12.970 6.190 12.133 1.00 0.00 C ATOM 251 CZ2 TRP A 18 -15.068 8.063 11.916 1.00 0.00 C ATOM 252 CZ3 TRP A 18 -13.145 7.183 13.118 1.00 0.00 C ATOM 253 CH2 TRP A 18 -14.192 8.115 13.013 1.00 0.00 C ATOM 0 H TRP A 18 -11.921 2.119 8.782 1.00 0.00 H new ATOM 0 HA TRP A 18 -12.247 4.573 7.592 1.00 0.00 H new ATOM 0 HB2 TRP A 18 -13.779 3.262 9.114 1.00 0.00 H new ATOM 0 HB3 TRP A 18 -12.720 3.610 10.466 1.00 0.00 H new ATOM 0 HD1 TRP A 18 -15.293 5.280 8.187 1.00 0.00 H new ATOM 0 HE1 TRP A 18 -16.330 7.305 9.398 1.00 0.00 H new ATOM 0 HE3 TRP A 18 -12.164 5.478 12.234 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 -15.877 8.773 11.829 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 -12.470 7.228 13.960 1.00 0.00 H new ATOM 0 HH2 TRP A 18 -14.323 8.870 13.774 1.00 0.00 H new ATOM 264 N ASN A 19 -9.970 4.890 9.916 1.00 0.00 N ATOM 265 CA ASN A 19 -8.960 5.803 10.465 1.00 0.00 C ATOM 266 C ASN A 19 -7.593 5.794 9.729 1.00 0.00 C ATOM 267 O ASN A 19 -6.799 6.714 9.923 1.00 0.00 O ATOM 268 CB ASN A 19 -8.834 5.503 11.970 1.00 0.00 C ATOM 269 CG ASN A 19 -8.385 6.726 12.744 1.00 0.00 C ATOM 270 OD1 ASN A 19 -9.168 7.627 13.017 1.00 0.00 O ATOM 271 ND2 ASN A 19 -7.126 6.814 13.096 1.00 0.00 N ATOM 0 H ASN A 19 -9.861 3.928 10.238 1.00 0.00 H new ATOM 0 HA ASN A 19 -9.301 6.826 10.304 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -9.794 5.159 12.355 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -8.121 4.693 12.122 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -6.794 7.636 13.600 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -6.478 6.060 12.866 1.00 0.00 H new ATOM 278 N THR A 20 -7.291 4.795 8.890 1.00 0.00 N ATOM 279 CA THR A 20 -6.007 4.663 8.155 1.00 0.00 C ATOM 280 C THR A 20 -6.043 5.328 6.772 1.00 0.00 C ATOM 281 O THR A 20 -7.076 5.274 6.104 1.00 0.00 O ATOM 282 CB THR A 20 -5.584 3.191 7.953 1.00 0.00 C ATOM 283 OG1 THR A 20 -6.261 2.276 8.792 1.00 0.00 O ATOM 284 CG2 THR A 20 -4.082 3.006 8.160 1.00 0.00 C ATOM 0 H THR A 20 -7.941 4.034 8.692 1.00 0.00 H new ATOM 0 HA THR A 20 -5.281 5.172 8.789 1.00 0.00 H new ATOM 0 HB THR A 20 -5.861 2.970 6.922 1.00 0.00 H new ATOM 0 HG1 THR A 20 -5.724 2.109 9.595 1.00 0.00 H new ATOM 0 HG21 THR A 20 -3.820 1.959 8.010 1.00 0.00 H new ATOM 0 HG22 THR A 20 -3.537 3.622 7.444 1.00 0.00 H new ATOM 0 HG23 THR A 20 -3.815 3.305 9.174 1.00 0.00 H new ATOM 292 N ASP A 21 -4.922 5.881 6.282 1.00 0.00 N ATOM 293 CA ASP A 21 -4.838 6.489 4.938 1.00 0.00 C ATOM 294 C ASP A 21 -3.457 6.323 4.234 1.00 0.00 C ATOM 295 O ASP A 21 -2.560 5.659 4.760 1.00 0.00 O ATOM 296 CB ASP A 21 -5.175 7.995 5.055 1.00 0.00 C ATOM 297 CG ASP A 21 -6.603 8.296 5.509 1.00 0.00 C ATOM 298 OD1 ASP A 21 -7.511 8.291 4.649 1.00 0.00 O ATOM 299 OD2 ASP A 21 -6.813 8.629 6.702 1.00 0.00 O ATOM 0 H ASP A 21 -4.047 5.921 6.804 1.00 0.00 H new ATOM 0 HA ASP A 21 -5.554 5.956 4.313 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -4.480 8.455 5.757 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -5.009 8.467 4.087 1.00 0.00 H new ATOM 304 N ASP A 22 -3.264 6.949 3.055 1.00 0.00 N ATOM 305 CA ASP A 22 -2.003 6.963 2.272 1.00 0.00 C ATOM 306 C ASP A 22 -0.770 7.353 3.104 1.00 0.00 C ATOM 307 O ASP A 22 0.225 6.629 3.093 1.00 0.00 O ATOM 308 CB ASP A 22 -2.059 7.876 1.013 1.00 0.00 C ATOM 309 CG ASP A 22 -2.746 9.245 1.169 1.00 0.00 C ATOM 310 OD1 ASP A 22 -2.885 9.767 2.302 1.00 0.00 O ATOM 311 OD2 ASP A 22 -3.117 9.846 0.135 1.00 0.00 O ATOM 0 H ASP A 22 -4.008 7.480 2.602 1.00 0.00 H new ATOM 0 HA ASP A 22 -1.899 5.927 1.949 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -1.037 8.047 0.674 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -2.571 7.329 0.221 1.00 0.00 H new ATOM 316 N ARG A 23 -0.825 8.454 3.864 1.00 0.00 N ATOM 317 CA ARG A 23 0.285 8.884 4.742 1.00 0.00 C ATOM 318 C ARG A 23 0.661 7.835 5.799 1.00 0.00 C ATOM 319 O ARG A 23 1.825 7.790 6.206 1.00 0.00 O ATOM 320 CB ARG A 23 -0.052 10.241 5.397 1.00 0.00 C ATOM 321 CG ARG A 23 0.720 11.436 4.819 1.00 0.00 C ATOM 322 CD ARG A 23 0.345 11.679 3.359 1.00 0.00 C ATOM 323 NE ARG A 23 1.296 11.059 2.415 1.00 0.00 N ATOM 324 CZ ARG A 23 1.102 10.855 1.127 1.00 0.00 C ATOM 325 NH1 ARG A 23 -0.011 11.162 0.536 1.00 0.00 N ATOM 326 NH2 ARG A 23 2.019 10.317 0.385 1.00 0.00 N ATOM 0 H ARG A 23 -1.635 9.074 3.892 1.00 0.00 H new ATOM 0 HA ARG A 23 1.166 8.999 4.111 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -1.120 10.428 5.288 1.00 0.00 H new ATOM 0 HB3 ARG A 23 0.152 10.175 6.466 1.00 0.00 H new ATOM 0 HG2 ARG A 23 0.506 12.329 5.406 1.00 0.00 H new ATOM 0 HG3 ARG A 23 1.792 11.252 4.897 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -0.654 11.284 3.174 1.00 0.00 H new ATOM 0 HD3 ARG A 23 0.302 12.752 3.173 1.00 0.00 H new ATOM 0 HE ARG A 23 2.193 10.759 2.797 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -0.775 11.577 1.070 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -0.123 10.989 -0.463 1.00 0.00 H new ATOM 0 HH21 ARG A 23 2.911 10.043 0.796 1.00 0.00 H new ATOM 0 HH22 ARG A 23 1.848 10.168 -0.609 1.00 0.00 H new ATOM 340 N GLY A 24 -0.285 6.981 6.198 1.00 0.00 N ATOM 341 CA GLY A 24 -0.082 5.902 7.164 1.00 0.00 C ATOM 342 C GLY A 24 0.628 4.682 6.580 1.00 0.00 C ATOM 343 O GLY A 24 1.587 4.204 7.193 1.00 0.00 O ATOM 0 H GLY A 24 -1.241 7.024 5.846 1.00 0.00 H new ATOM 0 HA2 GLY A 24 0.499 6.282 8.004 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -1.050 5.594 7.560 1.00 0.00 H new ATOM 347 N LEU A 25 0.230 4.202 5.389 1.00 0.00 N ATOM 348 CA LEU A 25 0.991 3.138 4.710 1.00 0.00 C ATOM 349 C LEU A 25 2.360 3.657 4.244 1.00 0.00 C ATOM 350 O LEU A 25 3.359 2.961 4.404 1.00 0.00 O ATOM 351 CB LEU A 25 0.172 2.423 3.608 1.00 0.00 C ATOM 352 CG LEU A 25 -0.052 3.172 2.277 1.00 0.00 C ATOM 353 CD1 LEU A 25 1.068 2.894 1.271 1.00 0.00 C ATOM 354 CD2 LEU A 25 -1.362 2.723 1.627 1.00 0.00 C ATOM 0 H LEU A 25 -0.596 4.525 4.885 1.00 0.00 H new ATOM 0 HA LEU A 25 1.194 2.353 5.438 1.00 0.00 H new ATOM 0 HB2 LEU A 25 0.668 1.479 3.382 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -0.806 2.178 4.023 1.00 0.00 H new ATOM 0 HG LEU A 25 -0.075 4.234 2.520 1.00 0.00 H new ATOM 0 HD11 LEU A 25 0.872 3.440 0.348 1.00 0.00 H new ATOM 0 HD12 LEU A 25 2.021 3.218 1.689 1.00 0.00 H new ATOM 0 HD13 LEU A 25 1.109 1.826 1.059 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -1.506 3.260 0.689 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -1.322 1.652 1.429 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -2.193 2.937 2.299 1.00 0.00 H new ATOM 366 N GLU A 26 2.432 4.903 3.764 1.00 0.00 N ATOM 367 CA GLU A 26 3.681 5.548 3.352 1.00 0.00 C ATOM 368 C GLU A 26 4.744 5.477 4.453 1.00 0.00 C ATOM 369 O GLU A 26 5.869 5.085 4.165 1.00 0.00 O ATOM 370 CB GLU A 26 3.400 7.008 2.967 1.00 0.00 C ATOM 371 CG GLU A 26 4.662 7.811 2.618 1.00 0.00 C ATOM 372 CD GLU A 26 4.321 9.279 2.368 1.00 0.00 C ATOM 373 OE1 GLU A 26 3.733 9.933 3.261 1.00 0.00 O ATOM 374 OE2 GLU A 26 4.640 9.813 1.280 1.00 0.00 O ATOM 0 H GLU A 26 1.612 5.499 3.650 1.00 0.00 H new ATOM 0 HA GLU A 26 4.075 5.013 2.488 1.00 0.00 H new ATOM 0 HB2 GLU A 26 2.722 7.025 2.113 1.00 0.00 H new ATOM 0 HB3 GLU A 26 2.885 7.499 3.793 1.00 0.00 H new ATOM 0 HG2 GLU A 26 5.383 7.734 3.431 1.00 0.00 H new ATOM 0 HG3 GLU A 26 5.134 7.387 1.732 1.00 0.00 H new ATOM 381 N ALA A 27 4.412 5.798 5.708 1.00 0.00 N ATOM 382 CA ALA A 27 5.413 5.842 6.775 1.00 0.00 C ATOM 383 C ALA A 27 6.029 4.470 7.098 1.00 0.00 C ATOM 384 O ALA A 27 7.238 4.387 7.323 1.00 0.00 O ATOM 385 CB ALA A 27 4.768 6.475 8.012 1.00 0.00 C ATOM 0 H ALA A 27 3.465 6.029 6.007 1.00 0.00 H new ATOM 0 HA ALA A 27 6.252 6.448 6.432 1.00 0.00 H new ATOM 0 HB1 ALA A 27 5.497 6.518 8.821 1.00 0.00 H new ATOM 0 HB2 ALA A 27 4.433 7.484 7.772 1.00 0.00 H new ATOM 0 HB3 ALA A 27 3.914 5.874 8.325 1.00 0.00 H new ATOM 391 N ALA A 28 5.224 3.404 7.062 1.00 0.00 N ATOM 392 CA ALA A 28 5.690 2.033 7.283 1.00 0.00 C ATOM 393 C ALA A 28 6.481 1.488 6.077 1.00 0.00 C ATOM 394 O ALA A 28 7.534 0.880 6.256 1.00 0.00 O ATOM 395 CB ALA A 28 4.478 1.158 7.636 1.00 0.00 C ATOM 0 H ALA A 28 4.223 3.469 6.877 1.00 0.00 H new ATOM 0 HA ALA A 28 6.393 2.018 8.116 1.00 0.00 H new ATOM 0 HB1 ALA A 28 4.806 0.132 7.804 1.00 0.00 H new ATOM 0 HB2 ALA A 28 4.004 1.540 8.540 1.00 0.00 H new ATOM 0 HB3 ALA A 28 3.762 1.180 6.814 1.00 0.00 H new ATOM 401 N PHE A 29 6.043 1.753 4.840 1.00 0.00 N ATOM 402 CA PHE A 29 6.802 1.376 3.636 1.00 0.00 C ATOM 403 C PHE A 29 8.086 2.214 3.463 1.00 0.00 C ATOM 404 O PHE A 29 9.095 1.703 2.974 1.00 0.00 O ATOM 405 CB PHE A 29 5.893 1.446 2.395 1.00 0.00 C ATOM 406 CG PHE A 29 4.996 0.234 2.166 1.00 0.00 C ATOM 407 CD1 PHE A 29 3.824 0.036 2.923 1.00 0.00 C ATOM 408 CD2 PHE A 29 5.321 -0.702 1.163 1.00 0.00 C ATOM 409 CE1 PHE A 29 2.976 -1.055 2.662 1.00 0.00 C ATOM 410 CE2 PHE A 29 4.482 -1.801 0.908 1.00 0.00 C ATOM 411 CZ PHE A 29 3.300 -1.969 1.648 1.00 0.00 C ATOM 0 H PHE A 29 5.163 2.229 4.644 1.00 0.00 H new ATOM 0 HA PHE A 29 7.136 0.346 3.758 1.00 0.00 H new ATOM 0 HB2 PHE A 29 5.263 2.331 2.478 1.00 0.00 H new ATOM 0 HB3 PHE A 29 6.521 1.583 1.514 1.00 0.00 H new ATOM 0 HD1 PHE A 29 3.574 0.730 3.712 1.00 0.00 H new ATOM 0 HD2 PHE A 29 6.224 -0.573 0.584 1.00 0.00 H new ATOM 0 HE1 PHE A 29 2.075 -1.189 3.242 1.00 0.00 H new ATOM 0 HE2 PHE A 29 4.746 -2.516 0.143 1.00 0.00 H new ATOM 0 HZ PHE A 29 2.642 -2.799 1.437 1.00 0.00 H new ATOM 421 N SER A 30 8.107 3.463 3.943 1.00 0.00 N ATOM 422 CA SER A 30 9.285 4.341 3.923 1.00 0.00 C ATOM 423 C SER A 30 10.439 3.816 4.793 1.00 0.00 C ATOM 424 O SER A 30 11.596 4.158 4.541 1.00 0.00 O ATOM 425 CB SER A 30 8.847 5.748 4.345 1.00 0.00 C ATOM 426 OG SER A 30 9.883 6.704 4.245 1.00 0.00 O ATOM 0 H SER A 30 7.289 3.902 4.365 1.00 0.00 H new ATOM 0 HA SER A 30 9.685 4.366 2.909 1.00 0.00 H new ATOM 0 HB2 SER A 30 8.009 6.063 3.723 1.00 0.00 H new ATOM 0 HB3 SER A 30 8.487 5.717 5.373 1.00 0.00 H new ATOM 0 HG SER A 30 9.547 7.581 4.525 1.00 0.00 H new ATOM 432 N SER A 31 10.161 2.922 5.755 1.00 0.00 N ATOM 433 CA SER A 31 11.177 2.209 6.551 1.00 0.00 C ATOM 434 C SER A 31 11.983 1.176 5.748 1.00 0.00 C ATOM 435 O SER A 31 12.996 0.670 6.240 1.00 0.00 O ATOM 436 CB SER A 31 10.513 1.482 7.725 1.00 0.00 C ATOM 437 OG SER A 31 9.833 2.396 8.559 1.00 0.00 O ATOM 0 H SER A 31 9.206 2.668 6.007 1.00 0.00 H new ATOM 0 HA SER A 31 11.870 2.977 6.894 1.00 0.00 H new ATOM 0 HB2 SER A 31 9.813 0.736 7.348 1.00 0.00 H new ATOM 0 HB3 SER A 31 11.268 0.948 8.302 1.00 0.00 H new ATOM 0 HG SER A 31 9.414 1.912 9.301 1.00 0.00 H new ATOM 443 N PHE A 32 11.530 0.821 4.541 1.00 0.00 N ATOM 444 CA PHE A 32 12.214 -0.109 3.635 1.00 0.00 C ATOM 445 C PHE A 32 13.023 0.624 2.553 1.00 0.00 C ATOM 446 O PHE A 32 14.169 0.248 2.301 1.00 0.00 O ATOM 447 CB PHE A 32 11.197 -1.109 3.059 1.00 0.00 C ATOM 448 CG PHE A 32 10.577 -2.008 4.119 1.00 0.00 C ATOM 449 CD1 PHE A 32 9.548 -1.523 4.951 1.00 0.00 C ATOM 450 CD2 PHE A 32 11.065 -3.313 4.319 1.00 0.00 C ATOM 451 CE1 PHE A 32 9.042 -2.315 5.995 1.00 0.00 C ATOM 452 CE2 PHE A 32 10.530 -4.122 5.338 1.00 0.00 C ATOM 453 CZ PHE A 32 9.529 -3.619 6.186 1.00 0.00 C ATOM 0 H PHE A 32 10.656 1.181 4.157 1.00 0.00 H new ATOM 0 HA PHE A 32 12.953 -0.675 4.202 1.00 0.00 H new ATOM 0 HB2 PHE A 32 10.406 -0.560 2.549 1.00 0.00 H new ATOM 0 HB3 PHE A 32 11.690 -1.728 2.309 1.00 0.00 H new ATOM 0 HD1 PHE A 32 9.145 -0.535 4.785 1.00 0.00 H new ATOM 0 HD2 PHE A 32 11.854 -3.695 3.687 1.00 0.00 H new ATOM 0 HE1 PHE A 32 8.279 -1.922 6.650 1.00 0.00 H new ATOM 0 HE2 PHE A 32 10.890 -5.132 5.469 1.00 0.00 H new ATOM 0 HZ PHE A 32 9.135 -4.233 6.982 1.00 0.00 H new ATOM 463 N GLY A 33 12.483 1.692 1.950 1.00 0.00 N ATOM 464 CA GLY A 33 13.158 2.433 0.875 1.00 0.00 C ATOM 465 C GLY A 33 12.483 3.749 0.467 1.00 0.00 C ATOM 466 O GLY A 33 11.528 4.199 1.098 1.00 0.00 O ATOM 0 H GLY A 33 11.566 2.067 2.194 1.00 0.00 H new ATOM 0 HA2 GLY A 33 14.179 2.649 1.190 1.00 0.00 H new ATOM 0 HA3 GLY A 33 13.224 1.790 -0.002 1.00 0.00 H new ATOM 470 N GLU A 34 13.009 4.385 -0.582 1.00 0.00 N ATOM 471 CA GLU A 34 12.577 5.691 -1.116 1.00 0.00 C ATOM 472 C GLU A 34 11.270 5.588 -1.934 1.00 0.00 C ATOM 473 O GLU A 34 11.165 4.751 -2.837 1.00 0.00 O ATOM 474 CB GLU A 34 13.707 6.305 -1.969 1.00 0.00 C ATOM 475 CG GLU A 34 14.993 6.593 -1.177 1.00 0.00 C ATOM 476 CD GLU A 34 16.136 7.056 -2.091 1.00 0.00 C ATOM 477 OE1 GLU A 34 16.851 6.202 -2.669 1.00 0.00 O ATOM 478 OE2 GLU A 34 16.397 8.280 -2.180 1.00 0.00 O ATOM 0 H GLU A 34 13.786 3.989 -1.112 1.00 0.00 H new ATOM 0 HA GLU A 34 12.366 6.343 -0.268 1.00 0.00 H new ATOM 0 HB2 GLU A 34 13.940 5.626 -2.789 1.00 0.00 H new ATOM 0 HB3 GLU A 34 13.350 7.233 -2.415 1.00 0.00 H new ATOM 0 HG2 GLU A 34 14.794 7.359 -0.428 1.00 0.00 H new ATOM 0 HG3 GLU A 34 15.298 5.694 -0.641 1.00 0.00 H new ATOM 485 N ILE A 35 10.291 6.450 -1.627 1.00 0.00 N ATOM 486 CA ILE A 35 8.911 6.407 -2.153 1.00 0.00 C ATOM 487 C ILE A 35 8.638 7.488 -3.211 1.00 0.00 C ATOM 488 O ILE A 35 9.100 8.628 -3.098 1.00 0.00 O ATOM 489 CB ILE A 35 7.906 6.482 -0.969 1.00 0.00 C ATOM 490 CG1 ILE A 35 7.880 5.168 -0.152 1.00 0.00 C ATOM 491 CG2 ILE A 35 6.469 6.871 -1.374 1.00 0.00 C ATOM 492 CD1 ILE A 35 7.344 3.943 -0.910 1.00 0.00 C ATOM 0 H ILE A 35 10.439 7.226 -0.982 1.00 0.00 H new ATOM 0 HA ILE A 35 8.777 5.459 -2.674 1.00 0.00 H new ATOM 0 HB ILE A 35 8.285 7.292 -0.346 1.00 0.00 H new ATOM 0 HG12 ILE A 35 8.892 4.951 0.191 1.00 0.00 H new ATOM 0 HG13 ILE A 35 7.269 5.323 0.737 1.00 0.00 H new ATOM 0 HG21 ILE A 35 5.836 6.899 -0.487 1.00 0.00 H new ATOM 0 HG22 ILE A 35 6.477 7.854 -1.845 1.00 0.00 H new ATOM 0 HG23 ILE A 35 6.077 6.135 -2.076 1.00 0.00 H new ATOM 0 HD11 ILE A 35 7.365 3.072 -0.255 1.00 0.00 H new ATOM 0 HD12 ILE A 35 6.319 4.132 -1.229 1.00 0.00 H new ATOM 0 HD13 ILE A 35 7.967 3.755 -1.784 1.00 0.00 H new ATOM 504 N LEU A 36 7.821 7.125 -4.207 1.00 0.00 N ATOM 505 CA LEU A 36 7.288 8.014 -5.246 1.00 0.00 C ATOM 506 C LEU A 36 5.821 8.416 -5.001 1.00 0.00 C ATOM 507 O LEU A 36 5.483 9.595 -5.124 1.00 0.00 O ATOM 508 CB LEU A 36 7.436 7.332 -6.621 1.00 0.00 C ATOM 509 CG LEU A 36 8.877 7.027 -7.073 1.00 0.00 C ATOM 510 CD1 LEU A 36 8.835 6.391 -8.460 1.00 0.00 C ATOM 511 CD2 LEU A 36 9.756 8.277 -7.151 1.00 0.00 C ATOM 0 H LEU A 36 7.500 6.163 -4.315 1.00 0.00 H new ATOM 0 HA LEU A 36 7.866 8.937 -5.217 1.00 0.00 H new ATOM 0 HB2 LEU A 36 6.877 6.397 -6.602 1.00 0.00 H new ATOM 0 HB3 LEU A 36 6.968 7.968 -7.372 1.00 0.00 H new ATOM 0 HG LEU A 36 9.311 6.359 -6.329 1.00 0.00 H new ATOM 0 HD11 LEU A 36 9.850 6.171 -8.790 1.00 0.00 H new ATOM 0 HD12 LEU A 36 8.258 5.467 -8.419 1.00 0.00 H new ATOM 0 HD13 LEU A 36 8.367 7.080 -9.162 1.00 0.00 H new ATOM 0 HD21 LEU A 36 10.759 7.997 -7.475 1.00 0.00 H new ATOM 0 HD22 LEU A 36 9.327 8.980 -7.865 1.00 0.00 H new ATOM 0 HD23 LEU A 36 9.810 8.746 -6.168 1.00 0.00 H new ATOM 523 N ASP A 37 4.944 7.463 -4.661 1.00 0.00 N ATOM 524 CA ASP A 37 3.481 7.655 -4.618 1.00 0.00 C ATOM 525 C ASP A 37 2.795 6.677 -3.644 1.00 0.00 C ATOM 526 O ASP A 37 3.268 5.552 -3.462 1.00 0.00 O ATOM 527 CB ASP A 37 2.868 7.422 -6.019 1.00 0.00 C ATOM 528 CG ASP A 37 3.074 8.567 -7.013 1.00 0.00 C ATOM 529 OD1 ASP A 37 2.306 9.555 -6.939 1.00 0.00 O ATOM 530 OD2 ASP A 37 3.952 8.470 -7.905 1.00 0.00 O ATOM 0 H ASP A 37 5.232 6.519 -4.403 1.00 0.00 H new ATOM 0 HA ASP A 37 3.314 8.678 -4.280 1.00 0.00 H new ATOM 0 HB2 ASP A 37 3.297 6.513 -6.440 1.00 0.00 H new ATOM 0 HB3 ASP A 37 1.798 7.247 -5.906 1.00 0.00 H new ATOM 535 N ALA A 38 1.636 7.068 -3.091 1.00 0.00 N ATOM 536 CA ALA A 38 0.655 6.176 -2.486 1.00 0.00 C ATOM 537 C ALA A 38 -0.785 6.604 -2.853 1.00 0.00 C ATOM 538 O ALA A 38 -1.100 7.800 -2.900 1.00 0.00 O ATOM 539 CB ALA A 38 0.873 6.144 -0.967 1.00 0.00 C ATOM 0 H ALA A 38 1.354 8.048 -3.056 1.00 0.00 H new ATOM 0 HA ALA A 38 0.790 5.168 -2.878 1.00 0.00 H new ATOM 0 HB1 ALA A 38 0.142 5.478 -0.508 1.00 0.00 H new ATOM 0 HB2 ALA A 38 1.878 5.783 -0.751 1.00 0.00 H new ATOM 0 HB3 ALA A 38 0.754 7.149 -0.561 1.00 0.00 H new ATOM 545 N LYS A 39 -1.663 5.620 -3.073 1.00 0.00 N ATOM 546 CA LYS A 39 -3.122 5.759 -3.265 1.00 0.00 C ATOM 547 C LYS A 39 -3.841 5.242 -2.025 1.00 0.00 C ATOM 548 O LYS A 39 -3.407 4.265 -1.427 1.00 0.00 O ATOM 549 CB LYS A 39 -3.556 4.991 -4.536 1.00 0.00 C ATOM 550 CG LYS A 39 -5.058 4.676 -4.749 1.00 0.00 C ATOM 551 CD LYS A 39 -5.928 5.898 -5.082 1.00 0.00 C ATOM 552 CE LYS A 39 -7.382 5.484 -5.373 1.00 0.00 C ATOM 553 NZ LYS A 39 -7.603 5.118 -6.795 1.00 0.00 N ATOM 0 H LYS A 39 -1.364 4.646 -3.126 1.00 0.00 H new ATOM 0 HA LYS A 39 -3.387 6.807 -3.403 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -3.215 5.563 -5.399 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -3.017 4.044 -4.548 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -5.152 3.949 -5.556 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -5.448 4.204 -3.847 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -5.907 6.600 -4.249 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -5.515 6.417 -5.947 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -7.648 4.638 -4.739 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -8.049 6.304 -5.106 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -8.598 4.848 -6.933 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -7.377 5.932 -7.402 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -6.989 4.317 -7.047 1.00 0.00 H new ATOM 567 N ILE A 40 -4.986 5.834 -1.714 1.00 0.00 N ATOM 568 CA ILE A 40 -6.004 5.280 -0.818 1.00 0.00 C ATOM 569 C ILE A 40 -7.380 5.504 -1.450 1.00 0.00 C ATOM 570 O ILE A 40 -7.586 6.530 -2.101 1.00 0.00 O ATOM 571 CB ILE A 40 -5.860 5.885 0.599 1.00 0.00 C ATOM 572 CG1 ILE A 40 -6.885 5.280 1.583 1.00 0.00 C ATOM 573 CG2 ILE A 40 -5.860 7.428 0.616 1.00 0.00 C ATOM 574 CD1 ILE A 40 -8.189 6.057 1.790 1.00 0.00 C ATOM 0 H ILE A 40 -5.245 6.746 -2.090 1.00 0.00 H new ATOM 0 HA ILE A 40 -5.874 4.205 -0.690 1.00 0.00 H new ATOM 0 HB ILE A 40 -4.868 5.600 0.950 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -7.138 4.278 1.236 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -6.399 5.168 2.552 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -5.756 7.781 1.642 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -5.027 7.798 0.019 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -6.797 7.796 0.199 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -8.820 5.526 2.503 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -7.963 7.051 2.176 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -8.713 6.148 0.839 1.00 0.00 H new ATOM 586 N ILE A 41 -8.320 4.571 -1.277 1.00 0.00 N ATOM 587 CA ILE A 41 -9.722 4.754 -1.690 1.00 0.00 C ATOM 588 C ILE A 41 -10.684 4.753 -0.488 1.00 0.00 C ATOM 589 O ILE A 41 -10.928 3.735 0.169 1.00 0.00 O ATOM 590 CB ILE A 41 -10.109 3.810 -2.851 1.00 0.00 C ATOM 591 CG1 ILE A 41 -11.601 3.914 -3.237 1.00 0.00 C ATOM 592 CG2 ILE A 41 -9.675 2.354 -2.604 1.00 0.00 C ATOM 593 CD1 ILE A 41 -12.027 5.311 -3.713 1.00 0.00 C ATOM 0 H ILE A 41 -8.134 3.665 -0.847 1.00 0.00 H new ATOM 0 HA ILE A 41 -9.826 5.754 -2.111 1.00 0.00 H new ATOM 0 HB ILE A 41 -9.543 4.159 -3.715 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -11.813 3.192 -4.026 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -12.209 3.633 -2.377 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -9.973 1.737 -3.452 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -8.592 2.312 -2.487 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -10.152 1.981 -1.698 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -13.087 5.302 -3.965 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -11.849 6.036 -2.919 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -11.447 5.588 -4.593 1.00 0.00 H new ATOM 605 N ASN A 42 -11.242 5.935 -0.218 1.00 0.00 N ATOM 606 CA ASN A 42 -12.320 6.177 0.738 1.00 0.00 C ATOM 607 C ASN A 42 -13.123 7.415 0.289 1.00 0.00 C ATOM 608 O ASN A 42 -12.575 8.521 0.248 1.00 0.00 O ATOM 609 CB ASN A 42 -11.693 6.338 2.139 1.00 0.00 C ATOM 610 CG ASN A 42 -12.668 6.544 3.286 1.00 0.00 C ATOM 611 OD1 ASN A 42 -13.883 6.550 3.143 1.00 0.00 O ATOM 612 ND2 ASN A 42 -12.148 6.685 4.479 1.00 0.00 N ATOM 0 H ASN A 42 -10.938 6.790 -0.684 1.00 0.00 H new ATOM 0 HA ASN A 42 -13.021 5.343 0.780 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -11.095 5.452 2.352 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -11.009 7.186 2.114 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -12.756 6.800 5.290 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -11.135 6.680 4.598 1.00 0.00 H new ATOM 619 N ASP A 43 -14.406 7.253 -0.061 1.00 0.00 N ATOM 620 CA ASP A 43 -15.325 8.388 -0.252 1.00 0.00 C ATOM 621 C ASP A 43 -16.069 8.636 1.073 1.00 0.00 C ATOM 622 O ASP A 43 -17.144 8.087 1.337 1.00 0.00 O ATOM 623 CB ASP A 43 -16.275 8.192 -1.452 1.00 0.00 C ATOM 624 CG ASP A 43 -15.573 8.100 -2.814 1.00 0.00 C ATOM 625 OD1 ASP A 43 -14.719 8.974 -3.106 1.00 0.00 O ATOM 626 OD2 ASP A 43 -15.929 7.193 -3.612 1.00 0.00 O ATOM 0 H ASP A 43 -14.835 6.341 -0.219 1.00 0.00 H new ATOM 0 HA ASP A 43 -14.751 9.278 -0.509 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -16.855 7.283 -1.295 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -16.982 9.021 -1.478 1.00 0.00 H new ATOM 631 N ARG A 44 -15.456 9.455 1.937 1.00 0.00 N ATOM 632 CA ARG A 44 -15.847 9.638 3.345 1.00 0.00 C ATOM 633 C ARG A 44 -17.247 10.236 3.510 1.00 0.00 C ATOM 634 O ARG A 44 -17.974 9.814 4.407 1.00 0.00 O ATOM 635 CB ARG A 44 -14.723 10.435 4.037 1.00 0.00 C ATOM 636 CG ARG A 44 -14.928 10.817 5.519 1.00 0.00 C ATOM 637 CD ARG A 44 -15.866 12.006 5.791 1.00 0.00 C ATOM 638 NE ARG A 44 -15.568 13.157 4.920 1.00 0.00 N ATOM 639 CZ ARG A 44 -16.391 14.107 4.524 1.00 0.00 C ATOM 640 NH1 ARG A 44 -17.636 14.172 4.893 1.00 0.00 N ATOM 641 NH2 ARG A 44 -15.944 15.018 3.716 1.00 0.00 N ATOM 0 H ARG A 44 -14.653 10.025 1.671 1.00 0.00 H new ATOM 0 HA ARG A 44 -15.946 8.671 3.838 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -13.804 9.853 3.964 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -14.565 11.353 3.472 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -15.317 9.946 6.047 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -13.954 11.043 5.952 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -16.899 11.694 5.639 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -15.775 12.308 6.834 1.00 0.00 H new ATOM 0 HE ARG A 44 -14.608 13.227 4.583 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -18.020 13.465 5.520 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -18.229 14.930 4.556 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -14.974 14.989 3.401 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -16.562 15.763 3.396 1.00 0.00 H new ATOM 655 N GLU A 45 -17.682 11.129 2.621 1.00 0.00 N ATOM 656 CA GLU A 45 -19.046 11.691 2.629 1.00 0.00 C ATOM 657 C GLU A 45 -20.130 10.652 2.254 1.00 0.00 C ATOM 658 O GLU A 45 -21.301 10.797 2.615 1.00 0.00 O ATOM 659 CB GLU A 45 -19.065 12.912 1.697 1.00 0.00 C ATOM 660 CG GLU A 45 -20.303 13.796 1.872 1.00 0.00 C ATOM 661 CD GLU A 45 -20.205 15.058 1.010 1.00 0.00 C ATOM 662 OE1 GLU A 45 -20.592 15.014 -0.183 1.00 0.00 O ATOM 663 OE2 GLU A 45 -19.781 16.121 1.522 1.00 0.00 O ATOM 0 H GLU A 45 -17.098 11.490 1.866 1.00 0.00 H new ATOM 0 HA GLU A 45 -19.298 11.997 3.644 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -18.172 13.511 1.878 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -19.016 12.571 0.663 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -21.196 13.234 1.600 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -20.409 14.075 2.920 1.00 0.00 H new ATOM 670 N THR A 46 -19.749 9.552 1.597 1.00 0.00 N ATOM 671 CA THR A 46 -20.598 8.367 1.381 1.00 0.00 C ATOM 672 C THR A 46 -20.435 7.330 2.505 1.00 0.00 C ATOM 673 O THR A 46 -21.232 6.405 2.611 1.00 0.00 O ATOM 674 CB THR A 46 -20.307 7.763 -0.010 1.00 0.00 C ATOM 675 OG1 THR A 46 -20.421 8.774 -0.988 1.00 0.00 O ATOM 676 CG2 THR A 46 -21.286 6.669 -0.428 1.00 0.00 C ATOM 0 H THR A 46 -18.819 9.455 1.189 1.00 0.00 H new ATOM 0 HA THR A 46 -21.642 8.680 1.409 1.00 0.00 H new ATOM 0 HB THR A 46 -19.308 7.334 0.062 1.00 0.00 H new ATOM 0 HG1 THR A 46 -20.235 8.396 -1.873 1.00 0.00 H new ATOM 0 HG21 THR A 46 -21.015 6.296 -1.415 1.00 0.00 H new ATOM 0 HG22 THR A 46 -21.247 5.852 0.292 1.00 0.00 H new ATOM 0 HG23 THR A 46 -22.296 7.077 -0.460 1.00 0.00 H new ATOM 684 N GLY A 47 -19.422 7.466 3.369 1.00 0.00 N ATOM 685 CA GLY A 47 -19.034 6.445 4.354 1.00 0.00 C ATOM 686 C GLY A 47 -18.363 5.213 3.723 1.00 0.00 C ATOM 687 O GLY A 47 -18.378 4.122 4.302 1.00 0.00 O ATOM 0 H GLY A 47 -18.838 8.302 3.405 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -18.352 6.890 5.079 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -19.919 6.126 4.904 1.00 0.00 H new ATOM 691 N ARG A 48 -17.820 5.381 2.509 1.00 0.00 N ATOM 692 CA ARG A 48 -17.405 4.327 1.570 1.00 0.00 C ATOM 693 C ARG A 48 -15.896 4.076 1.671 1.00 0.00 C ATOM 694 O ARG A 48 -15.127 4.420 0.775 1.00 0.00 O ATOM 695 CB ARG A 48 -17.904 4.770 0.181 1.00 0.00 C ATOM 696 CG ARG A 48 -17.648 3.829 -1.004 1.00 0.00 C ATOM 697 CD ARG A 48 -18.201 4.455 -2.296 1.00 0.00 C ATOM 698 NE ARG A 48 -17.979 3.568 -3.448 1.00 0.00 N ATOM 699 CZ ARG A 48 -16.895 3.494 -4.197 1.00 0.00 C ATOM 700 NH1 ARG A 48 -15.937 4.379 -4.195 1.00 0.00 N ATOM 701 NH2 ARG A 48 -16.725 2.475 -4.979 1.00 0.00 N ATOM 0 H ARG A 48 -17.648 6.313 2.133 1.00 0.00 H new ATOM 0 HA ARG A 48 -17.843 3.355 1.798 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -18.979 4.938 0.249 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -17.445 5.731 -0.049 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -16.579 3.643 -1.108 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -18.123 2.865 -0.824 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -19.267 4.650 -2.183 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -17.719 5.416 -2.474 1.00 0.00 H new ATOM 0 HE ARG A 48 -18.746 2.942 -3.695 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -15.998 5.195 -3.586 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -15.127 4.255 -4.802 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -17.427 1.736 -5.013 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -15.889 2.412 -5.560 1.00 0.00 H new ATOM 715 N SER A 49 -15.482 3.480 2.787 1.00 0.00 N ATOM 716 CA SER A 49 -14.104 3.068 3.083 1.00 0.00 C ATOM 717 C SER A 49 -13.771 1.721 2.424 1.00 0.00 C ATOM 718 O SER A 49 -14.072 0.649 2.953 1.00 0.00 O ATOM 719 CB SER A 49 -13.859 3.070 4.604 1.00 0.00 C ATOM 720 OG SER A 49 -14.626 2.113 5.321 1.00 0.00 O ATOM 0 H SER A 49 -16.125 3.259 3.547 1.00 0.00 H new ATOM 0 HA SER A 49 -13.417 3.794 2.648 1.00 0.00 H new ATOM 0 HB2 SER A 49 -12.801 2.884 4.790 1.00 0.00 H new ATOM 0 HB3 SER A 49 -14.081 4.063 4.995 1.00 0.00 H new ATOM 0 HG SER A 49 -14.725 1.302 4.780 1.00 0.00 H new ATOM 726 N ARG A 50 -13.140 1.754 1.243 1.00 0.00 N ATOM 727 CA ARG A 50 -12.742 0.531 0.521 1.00 0.00 C ATOM 728 C ARG A 50 -11.557 -0.181 1.174 1.00 0.00 C ATOM 729 O ARG A 50 -11.439 -1.396 1.045 1.00 0.00 O ATOM 730 CB ARG A 50 -12.461 0.863 -0.950 1.00 0.00 C ATOM 731 CG ARG A 50 -13.701 1.188 -1.795 1.00 0.00 C ATOM 732 CD ARG A 50 -14.510 -0.059 -2.158 1.00 0.00 C ATOM 733 NE ARG A 50 -15.443 -0.477 -1.091 1.00 0.00 N ATOM 734 CZ ARG A 50 -16.005 -1.666 -0.959 1.00 0.00 C ATOM 735 NH1 ARG A 50 -15.859 -2.634 -1.807 1.00 0.00 N ATOM 736 NH2 ARG A 50 -16.760 -1.915 0.062 1.00 0.00 N ATOM 0 H ARG A 50 -12.891 2.618 0.762 1.00 0.00 H new ATOM 0 HA ARG A 50 -13.575 -0.170 0.572 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -11.780 1.713 -0.990 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -11.943 0.018 -1.404 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -14.338 1.883 -1.247 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -13.391 1.694 -2.709 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -15.074 0.134 -3.070 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -13.825 -0.879 -2.375 1.00 0.00 H new ATOM 0 HE ARG A 50 -15.677 0.222 -0.386 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -15.281 -2.502 -2.637 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -16.322 -3.528 -1.645 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -16.921 -1.194 0.765 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -17.194 -2.833 0.164 1.00 0.00 H new ATOM 750 N GLY A 51 -10.724 0.535 1.933 1.00 0.00 N ATOM 751 CA GLY A 51 -9.752 -0.085 2.844 1.00 0.00 C ATOM 752 C GLY A 51 -8.556 -0.752 2.144 1.00 0.00 C ATOM 753 O GLY A 51 -8.040 -1.774 2.605 1.00 0.00 O ATOM 0 H GLY A 51 -10.702 1.555 1.936 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -9.378 0.676 3.528 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -10.266 -0.832 3.449 1.00 0.00 H new ATOM 757 N PHE A 52 -8.126 -0.193 1.014 1.00 0.00 N ATOM 758 CA PHE A 52 -6.933 -0.597 0.270 1.00 0.00 C ATOM 759 C PHE A 52 -6.326 0.589 -0.492 1.00 0.00 C ATOM 760 O PHE A 52 -6.894 1.687 -0.530 1.00 0.00 O ATOM 761 CB PHE A 52 -7.235 -1.791 -0.658 1.00 0.00 C ATOM 762 CG PHE A 52 -8.392 -1.640 -1.631 1.00 0.00 C ATOM 763 CD1 PHE A 52 -8.226 -0.927 -2.835 1.00 0.00 C ATOM 764 CD2 PHE A 52 -9.614 -2.291 -1.377 1.00 0.00 C ATOM 765 CE1 PHE A 52 -9.270 -0.880 -3.777 1.00 0.00 C ATOM 766 CE2 PHE A 52 -10.662 -2.235 -2.314 1.00 0.00 C ATOM 767 CZ PHE A 52 -10.489 -1.529 -3.517 1.00 0.00 C ATOM 0 H PHE A 52 -8.618 0.584 0.574 1.00 0.00 H new ATOM 0 HA PHE A 52 -6.184 -0.931 0.988 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -6.335 -2.007 -1.234 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -7.430 -2.663 -0.034 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -7.296 -0.416 -3.035 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -9.748 -2.838 -0.455 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -9.134 -0.343 -4.704 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -11.598 -2.734 -2.109 1.00 0.00 H new ATOM 0 HZ PHE A 52 -11.291 -1.485 -4.239 1.00 0.00 H new ATOM 777 N GLY A 53 -5.151 0.364 -1.079 1.00 0.00 N ATOM 778 CA GLY A 53 -4.379 1.371 -1.797 1.00 0.00 C ATOM 779 C GLY A 53 -3.294 0.786 -2.702 1.00 0.00 C ATOM 780 O GLY A 53 -3.118 -0.428 -2.774 1.00 0.00 O ATOM 0 H GLY A 53 -4.699 -0.550 -1.066 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -5.058 1.973 -2.401 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -3.914 2.042 -1.075 1.00 0.00 H new ATOM 784 N PHE A 54 -2.554 1.665 -3.375 1.00 0.00 N ATOM 785 CA PHE A 54 -1.278 1.351 -4.033 1.00 0.00 C ATOM 786 C PHE A 54 -0.114 2.073 -3.337 1.00 0.00 C ATOM 787 O PHE A 54 -0.324 3.084 -2.667 1.00 0.00 O ATOM 788 CB PHE A 54 -1.306 1.702 -5.530 1.00 0.00 C ATOM 789 CG PHE A 54 -2.173 0.824 -6.413 1.00 0.00 C ATOM 790 CD1 PHE A 54 -1.625 -0.326 -7.013 1.00 0.00 C ATOM 791 CD2 PHE A 54 -3.490 1.209 -6.721 1.00 0.00 C ATOM 792 CE1 PHE A 54 -2.377 -1.064 -7.943 1.00 0.00 C ATOM 793 CE2 PHE A 54 -4.245 0.469 -7.649 1.00 0.00 C ATOM 794 CZ PHE A 54 -3.682 -0.655 -8.274 1.00 0.00 C ATOM 0 H PHE A 54 -2.828 2.641 -3.483 1.00 0.00 H new ATOM 0 HA PHE A 54 -1.126 0.275 -3.947 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -1.647 2.732 -5.633 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -0.285 1.665 -5.909 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -0.624 -0.642 -6.758 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -3.923 2.076 -6.244 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -1.954 -1.944 -8.403 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -5.257 0.765 -7.881 1.00 0.00 H new ATOM 0 HZ PHE A 54 -4.251 -1.206 -9.009 1.00 0.00 H new ATOM 804 N VAL A 55 1.110 1.592 -3.551 1.00 0.00 N ATOM 805 CA VAL A 55 2.373 2.198 -3.093 1.00 0.00 C ATOM 806 C VAL A 55 3.462 2.017 -4.167 1.00 0.00 C ATOM 807 O VAL A 55 3.495 0.980 -4.826 1.00 0.00 O ATOM 808 CB VAL A 55 2.761 1.588 -1.729 1.00 0.00 C ATOM 809 CG1 VAL A 55 3.228 0.137 -1.834 1.00 0.00 C ATOM 810 CG2 VAL A 55 3.844 2.414 -1.031 1.00 0.00 C ATOM 0 H VAL A 55 1.262 0.729 -4.072 1.00 0.00 H new ATOM 0 HA VAL A 55 2.255 3.272 -2.948 1.00 0.00 H new ATOM 0 HB VAL A 55 1.848 1.606 -1.134 1.00 0.00 H new ATOM 0 HG11 VAL A 55 3.486 -0.235 -0.842 1.00 0.00 H new ATOM 0 HG12 VAL A 55 2.428 -0.473 -2.253 1.00 0.00 H new ATOM 0 HG13 VAL A 55 4.103 0.082 -2.481 1.00 0.00 H new ATOM 0 HG21 VAL A 55 4.092 1.955 -0.074 1.00 0.00 H new ATOM 0 HG22 VAL A 55 4.735 2.450 -1.658 1.00 0.00 H new ATOM 0 HG23 VAL A 55 3.478 3.427 -0.863 1.00 0.00 H new ATOM 820 N SER A 56 4.340 3.005 -4.384 1.00 0.00 N ATOM 821 CA SER A 56 5.316 3.014 -5.496 1.00 0.00 C ATOM 822 C SER A 56 6.726 3.441 -5.065 1.00 0.00 C ATOM 823 O SER A 56 6.883 4.394 -4.295 1.00 0.00 O ATOM 824 CB SER A 56 4.800 3.937 -6.600 1.00 0.00 C ATOM 825 OG SER A 56 5.636 3.937 -7.741 1.00 0.00 O ATOM 0 H SER A 56 4.398 3.832 -3.790 1.00 0.00 H new ATOM 0 HA SER A 56 5.408 1.990 -5.859 1.00 0.00 H new ATOM 0 HB2 SER A 56 3.796 3.626 -6.889 1.00 0.00 H new ATOM 0 HB3 SER A 56 4.720 4.953 -6.212 1.00 0.00 H new ATOM 0 HG SER A 56 5.264 4.539 -8.419 1.00 0.00 H new ATOM 831 N PHE A 57 7.747 2.753 -5.587 1.00 0.00 N ATOM 832 CA PHE A 57 9.168 2.919 -5.241 1.00 0.00 C ATOM 833 C PHE A 57 10.012 3.431 -6.420 1.00 0.00 C ATOM 834 O PHE A 57 9.627 3.305 -7.583 1.00 0.00 O ATOM 835 CB PHE A 57 9.730 1.575 -4.746 1.00 0.00 C ATOM 836 CG PHE A 57 9.305 1.184 -3.344 1.00 0.00 C ATOM 837 CD1 PHE A 57 10.077 1.597 -2.241 1.00 0.00 C ATOM 838 CD2 PHE A 57 8.160 0.393 -3.138 1.00 0.00 C ATOM 839 CE1 PHE A 57 9.714 1.213 -0.939 1.00 0.00 C ATOM 840 CE2 PHE A 57 7.801 0.001 -1.835 1.00 0.00 C ATOM 841 CZ PHE A 57 8.581 0.410 -0.737 1.00 0.00 C ATOM 0 H PHE A 57 7.602 2.032 -6.294 1.00 0.00 H new ATOM 0 HA PHE A 57 9.227 3.673 -4.456 1.00 0.00 H new ATOM 0 HB2 PHE A 57 9.419 0.791 -5.436 1.00 0.00 H new ATOM 0 HB3 PHE A 57 10.819 1.617 -4.782 1.00 0.00 H new ATOM 0 HD1 PHE A 57 10.952 2.211 -2.396 1.00 0.00 H new ATOM 0 HD2 PHE A 57 7.557 0.087 -3.980 1.00 0.00 H new ATOM 0 HE1 PHE A 57 10.306 1.535 -0.095 1.00 0.00 H new ATOM 0 HE2 PHE A 57 6.927 -0.614 -1.677 1.00 0.00 H new ATOM 0 HZ PHE A 57 8.307 0.105 0.262 1.00 0.00 H new ATOM 851 N SER A 58 11.205 3.952 -6.121 1.00 0.00 N ATOM 852 CA SER A 58 12.200 4.397 -7.115 1.00 0.00 C ATOM 853 C SER A 58 13.267 3.351 -7.494 1.00 0.00 C ATOM 854 O SER A 58 14.046 3.593 -8.418 1.00 0.00 O ATOM 855 CB SER A 58 12.864 5.686 -6.630 1.00 0.00 C ATOM 856 OG SER A 58 13.513 5.483 -5.388 1.00 0.00 O ATOM 0 H SER A 58 11.519 4.082 -5.159 1.00 0.00 H new ATOM 0 HA SER A 58 11.642 4.566 -8.036 1.00 0.00 H new ATOM 0 HB2 SER A 58 13.586 6.029 -7.371 1.00 0.00 H new ATOM 0 HB3 SER A 58 12.114 6.471 -6.529 1.00 0.00 H new ATOM 0 HG SER A 58 14.290 4.899 -5.516 1.00 0.00 H new ATOM 862 N ASN A 59 13.312 2.183 -6.835 1.00 0.00 N ATOM 863 CA ASN A 59 14.262 1.099 -7.134 1.00 0.00 C ATOM 864 C ASN A 59 13.624 -0.305 -7.062 1.00 0.00 C ATOM 865 O ASN A 59 12.712 -0.566 -6.273 1.00 0.00 O ATOM 866 CB ASN A 59 15.477 1.188 -6.189 1.00 0.00 C ATOM 867 CG ASN A 59 16.301 2.457 -6.345 1.00 0.00 C ATOM 868 OD1 ASN A 59 16.030 3.481 -5.733 1.00 0.00 O ATOM 869 ND2 ASN A 59 17.347 2.452 -7.137 1.00 0.00 N ATOM 0 H ASN A 59 12.679 1.961 -6.067 1.00 0.00 H new ATOM 0 HA ASN A 59 14.586 1.237 -8.166 1.00 0.00 H new ATOM 0 HB2 ASN A 59 15.127 1.121 -5.159 1.00 0.00 H new ATOM 0 HB3 ASN A 59 16.122 0.327 -6.363 1.00 0.00 H new ATOM 0 HD21 ASN A 59 17.917 3.292 -7.234 1.00 0.00 H new ATOM 0 HD22 ASN A 59 17.590 1.608 -7.656 1.00 0.00 H new ATOM 876 N GLU A 60 14.174 -1.233 -7.850 1.00 0.00 N ATOM 877 CA GLU A 60 13.672 -2.604 -8.064 1.00 0.00 C ATOM 878 C GLU A 60 13.751 -3.482 -6.799 1.00 0.00 C ATOM 879 O GLU A 60 12.800 -4.205 -6.488 1.00 0.00 O ATOM 880 CB GLU A 60 14.459 -3.265 -9.218 1.00 0.00 C ATOM 881 CG GLU A 60 14.180 -2.624 -10.589 1.00 0.00 C ATOM 882 CD GLU A 60 15.085 -3.144 -11.720 1.00 0.00 C ATOM 883 OE1 GLU A 60 15.530 -4.317 -11.709 1.00 0.00 O ATOM 884 OE2 GLU A 60 15.351 -2.386 -12.687 1.00 0.00 O ATOM 0 H GLU A 60 15.022 -1.045 -8.384 1.00 0.00 H new ATOM 0 HA GLU A 60 12.616 -2.524 -8.320 1.00 0.00 H new ATOM 0 HB2 GLU A 60 15.526 -3.201 -9.005 1.00 0.00 H new ATOM 0 HB3 GLU A 60 14.206 -4.324 -9.261 1.00 0.00 H new ATOM 0 HG2 GLU A 60 13.139 -2.805 -10.858 1.00 0.00 H new ATOM 0 HG3 GLU A 60 14.304 -1.544 -10.506 1.00 0.00 H new ATOM 891 N GLN A 61 14.852 -3.389 -6.039 1.00 0.00 N ATOM 892 CA GLN A 61 15.045 -4.121 -4.776 1.00 0.00 C ATOM 893 C GLN A 61 14.301 -3.475 -3.594 1.00 0.00 C ATOM 894 O GLN A 61 14.010 -4.154 -2.612 1.00 0.00 O ATOM 895 CB GLN A 61 16.552 -4.234 -4.473 1.00 0.00 C ATOM 896 CG GLN A 61 16.894 -5.361 -3.477 1.00 0.00 C ATOM 897 CD GLN A 61 18.355 -5.378 -3.018 1.00 0.00 C ATOM 898 OE1 GLN A 61 19.090 -4.397 -3.067 1.00 0.00 O ATOM 899 NE2 GLN A 61 18.832 -6.492 -2.516 1.00 0.00 N ATOM 0 H GLN A 61 15.644 -2.796 -6.286 1.00 0.00 H new ATOM 0 HA GLN A 61 14.617 -5.115 -4.902 1.00 0.00 H new ATOM 0 HB2 GLN A 61 17.090 -4.407 -5.405 1.00 0.00 H new ATOM 0 HB3 GLN A 61 16.907 -3.285 -4.072 1.00 0.00 H new ATOM 0 HG2 GLN A 61 16.252 -5.263 -2.602 1.00 0.00 H new ATOM 0 HG3 GLN A 61 16.660 -6.320 -3.938 1.00 0.00 H new ATOM 0 HE21 GLN A 61 18.241 -7.322 -2.464 1.00 0.00 H new ATOM 0 HE22 GLN A 61 19.794 -6.528 -2.178 1.00 0.00 H new ATOM 908 N ALA A 62 13.967 -2.181 -3.649 1.00 0.00 N ATOM 909 CA ALA A 62 13.225 -1.514 -2.571 1.00 0.00 C ATOM 910 C ALA A 62 11.775 -2.029 -2.502 1.00 0.00 C ATOM 911 O ALA A 62 11.311 -2.460 -1.448 1.00 0.00 O ATOM 912 CB ALA A 62 13.305 -0.001 -2.786 1.00 0.00 C ATOM 0 H ALA A 62 14.200 -1.571 -4.433 1.00 0.00 H new ATOM 0 HA ALA A 62 13.672 -1.747 -1.605 1.00 0.00 H new ATOM 0 HB1 ALA A 62 12.758 0.509 -1.993 1.00 0.00 H new ATOM 0 HB2 ALA A 62 14.348 0.314 -2.768 1.00 0.00 H new ATOM 0 HB3 ALA A 62 12.866 0.253 -3.751 1.00 0.00 H new ATOM 918 N MET A 63 11.126 -2.104 -3.667 1.00 0.00 N ATOM 919 CA MET A 63 9.832 -2.756 -3.899 1.00 0.00 C ATOM 920 C MET A 63 9.765 -4.176 -3.312 1.00 0.00 C ATOM 921 O MET A 63 8.845 -4.497 -2.560 1.00 0.00 O ATOM 922 CB MET A 63 9.626 -2.742 -5.427 1.00 0.00 C ATOM 923 CG MET A 63 8.637 -3.739 -6.040 1.00 0.00 C ATOM 924 SD MET A 63 6.887 -3.335 -5.875 1.00 0.00 S ATOM 925 CE MET A 63 6.257 -4.596 -7.017 1.00 0.00 C ATOM 0 H MET A 63 11.507 -1.691 -4.518 1.00 0.00 H new ATOM 0 HA MET A 63 9.032 -2.222 -3.386 1.00 0.00 H new ATOM 0 HB2 MET A 63 9.304 -1.740 -5.709 1.00 0.00 H new ATOM 0 HB3 MET A 63 10.597 -2.908 -5.894 1.00 0.00 H new ATOM 0 HG2 MET A 63 8.866 -3.839 -7.101 1.00 0.00 H new ATOM 0 HG3 MET A 63 8.807 -4.714 -5.583 1.00 0.00 H new ATOM 0 HE1 MET A 63 5.167 -4.587 -7.003 1.00 0.00 H new ATOM 0 HE2 MET A 63 6.609 -4.382 -8.026 1.00 0.00 H new ATOM 0 HE3 MET A 63 6.616 -5.578 -6.709 1.00 0.00 H new ATOM 935 N GLN A 64 10.736 -5.031 -3.641 1.00 0.00 N ATOM 936 CA GLN A 64 10.695 -6.451 -3.280 1.00 0.00 C ATOM 937 C GLN A 64 11.207 -6.749 -1.865 1.00 0.00 C ATOM 938 O GLN A 64 10.764 -7.716 -1.244 1.00 0.00 O ATOM 939 CB GLN A 64 11.404 -7.283 -4.361 1.00 0.00 C ATOM 940 CG GLN A 64 10.612 -7.337 -5.685 1.00 0.00 C ATOM 941 CD GLN A 64 9.246 -8.019 -5.571 1.00 0.00 C ATOM 942 OE1 GLN A 64 8.897 -8.641 -4.580 1.00 0.00 O ATOM 943 NE2 GLN A 64 8.403 -7.925 -6.575 1.00 0.00 N ATOM 0 H GLN A 64 11.570 -4.761 -4.163 1.00 0.00 H new ATOM 0 HA GLN A 64 9.647 -6.748 -3.246 1.00 0.00 H new ATOM 0 HB2 GLN A 64 12.391 -6.861 -4.550 1.00 0.00 H new ATOM 0 HB3 GLN A 64 11.556 -8.297 -3.992 1.00 0.00 H new ATOM 0 HG2 GLN A 64 10.469 -6.321 -6.052 1.00 0.00 H new ATOM 0 HG3 GLN A 64 11.208 -7.864 -6.431 1.00 0.00 H new ATOM 0 HE21 GLN A 64 8.667 -7.412 -7.416 1.00 0.00 H new ATOM 0 HE22 GLN A 64 7.485 -8.365 -6.513 1.00 0.00 H new ATOM 952 N ASP A 65 12.099 -5.927 -1.308 1.00 0.00 N ATOM 953 CA ASP A 65 12.484 -6.021 0.107 1.00 0.00 C ATOM 954 C ASP A 65 11.366 -5.513 1.037 1.00 0.00 C ATOM 955 O ASP A 65 11.235 -6.011 2.156 1.00 0.00 O ATOM 956 CB ASP A 65 13.818 -5.292 0.324 1.00 0.00 C ATOM 957 CG ASP A 65 14.496 -5.631 1.653 1.00 0.00 C ATOM 958 OD1 ASP A 65 14.505 -6.821 2.057 1.00 0.00 O ATOM 959 OD2 ASP A 65 15.128 -4.729 2.250 1.00 0.00 O ATOM 0 H ASP A 65 12.573 -5.182 -1.818 1.00 0.00 H new ATOM 0 HA ASP A 65 12.628 -7.069 0.370 1.00 0.00 H new ATOM 0 HB2 ASP A 65 14.495 -5.541 -0.493 1.00 0.00 H new ATOM 0 HB3 ASP A 65 13.646 -4.217 0.278 1.00 0.00 H new ATOM 964 N ALA A 66 10.511 -4.601 0.555 1.00 0.00 N ATOM 965 CA ALA A 66 9.279 -4.222 1.225 1.00 0.00 C ATOM 966 C ALA A 66 8.237 -5.355 1.174 1.00 0.00 C ATOM 967 O ALA A 66 7.864 -5.869 2.222 1.00 0.00 O ATOM 968 CB ALA A 66 8.786 -2.912 0.607 1.00 0.00 C ATOM 0 H ALA A 66 10.666 -4.105 -0.323 1.00 0.00 H new ATOM 0 HA ALA A 66 9.457 -4.056 2.287 1.00 0.00 H new ATOM 0 HB1 ALA A 66 7.860 -2.606 1.094 1.00 0.00 H new ATOM 0 HB2 ALA A 66 9.541 -2.138 0.744 1.00 0.00 H new ATOM 0 HB3 ALA A 66 8.605 -3.058 -0.458 1.00 0.00 H new ATOM 974 N ILE A 67 7.807 -5.795 -0.017 1.00 0.00 N ATOM 975 CA ILE A 67 6.834 -6.893 -0.220 1.00 0.00 C ATOM 976 C ILE A 67 7.148 -8.135 0.629 1.00 0.00 C ATOM 977 O ILE A 67 6.263 -8.626 1.329 1.00 0.00 O ATOM 978 CB ILE A 67 6.712 -7.244 -1.726 1.00 0.00 C ATOM 979 CG1 ILE A 67 5.896 -6.136 -2.433 1.00 0.00 C ATOM 980 CG2 ILE A 67 6.052 -8.618 -1.977 1.00 0.00 C ATOM 981 CD1 ILE A 67 5.865 -6.260 -3.959 1.00 0.00 C ATOM 0 H ILE A 67 8.132 -5.389 -0.895 1.00 0.00 H new ATOM 0 HA ILE A 67 5.867 -6.531 0.128 1.00 0.00 H new ATOM 0 HB ILE A 67 7.722 -7.305 -2.131 1.00 0.00 H new ATOM 0 HG12 ILE A 67 4.873 -6.157 -2.057 1.00 0.00 H new ATOM 0 HG13 ILE A 67 6.314 -5.165 -2.166 1.00 0.00 H new ATOM 0 HG21 ILE A 67 5.996 -8.804 -3.050 1.00 0.00 H new ATOM 0 HG22 ILE A 67 6.647 -9.399 -1.504 1.00 0.00 H new ATOM 0 HG23 ILE A 67 5.047 -8.621 -1.555 1.00 0.00 H new ATOM 0 HD11 ILE A 67 5.273 -5.446 -4.378 1.00 0.00 H new ATOM 0 HD12 ILE A 67 6.882 -6.208 -4.349 1.00 0.00 H new ATOM 0 HD13 ILE A 67 5.418 -7.214 -4.237 1.00 0.00 H new ATOM 993 N GLU A 68 8.394 -8.616 0.640 1.00 0.00 N ATOM 994 CA GLU A 68 8.761 -9.803 1.428 1.00 0.00 C ATOM 995 C GLU A 68 8.729 -9.580 2.954 1.00 0.00 C ATOM 996 O GLU A 68 8.540 -10.540 3.705 1.00 0.00 O ATOM 997 CB GLU A 68 10.122 -10.341 0.962 1.00 0.00 C ATOM 998 CG GLU A 68 9.967 -11.205 -0.298 1.00 0.00 C ATOM 999 CD GLU A 68 11.275 -11.899 -0.683 1.00 0.00 C ATOM 1000 OE1 GLU A 68 11.662 -12.910 -0.044 1.00 0.00 O ATOM 1001 OE2 GLU A 68 11.935 -11.459 -1.656 1.00 0.00 O ATOM 0 H GLU A 68 9.166 -8.205 0.115 1.00 0.00 H new ATOM 0 HA GLU A 68 7.993 -10.553 1.241 1.00 0.00 H new ATOM 0 HB2 GLU A 68 10.796 -9.509 0.757 1.00 0.00 H new ATOM 0 HB3 GLU A 68 10.577 -10.930 1.758 1.00 0.00 H new ATOM 0 HG2 GLU A 68 9.195 -11.955 -0.130 1.00 0.00 H new ATOM 0 HG3 GLU A 68 9.631 -10.581 -1.126 1.00 0.00 H new ATOM 1008 N GLY A 69 8.824 -8.334 3.431 1.00 0.00 N ATOM 1009 CA GLY A 69 8.491 -7.972 4.814 1.00 0.00 C ATOM 1010 C GLY A 69 6.979 -7.825 5.055 1.00 0.00 C ATOM 1011 O GLY A 69 6.476 -8.248 6.096 1.00 0.00 O ATOM 0 H GLY A 69 9.136 -7.544 2.866 1.00 0.00 H new ATOM 0 HA2 GLY A 69 8.887 -8.732 5.487 1.00 0.00 H new ATOM 0 HA3 GLY A 69 8.985 -7.034 5.066 1.00 0.00 H new ATOM 1015 N MET A 70 6.248 -7.264 4.088 1.00 0.00 N ATOM 1016 CA MET A 70 4.817 -6.922 4.161 1.00 0.00 C ATOM 1017 C MET A 70 3.878 -8.128 4.085 1.00 0.00 C ATOM 1018 O MET A 70 2.806 -8.097 4.691 1.00 0.00 O ATOM 1019 CB MET A 70 4.471 -5.959 3.013 1.00 0.00 C ATOM 1020 CG MET A 70 5.106 -4.582 3.223 1.00 0.00 C ATOM 1021 SD MET A 70 4.422 -3.651 4.621 1.00 0.00 S ATOM 1022 CE MET A 70 5.691 -2.367 4.758 1.00 0.00 C ATOM 0 H MET A 70 6.655 -7.022 3.185 1.00 0.00 H new ATOM 0 HA MET A 70 4.663 -6.466 5.139 1.00 0.00 H new ATOM 0 HB2 MET A 70 4.816 -6.379 2.068 1.00 0.00 H new ATOM 0 HB3 MET A 70 3.389 -5.854 2.939 1.00 0.00 H new ATOM 0 HG2 MET A 70 6.178 -4.708 3.375 1.00 0.00 H new ATOM 0 HG3 MET A 70 4.980 -3.994 2.314 1.00 0.00 H new ATOM 0 HE1 MET A 70 5.214 -1.397 4.900 1.00 0.00 H new ATOM 0 HE2 MET A 70 6.336 -2.582 5.610 1.00 0.00 H new ATOM 0 HE3 MET A 70 6.288 -2.347 3.847 1.00 0.00 H new ATOM 1032 N ASN A 71 4.257 -9.183 3.357 1.00 0.00 N ATOM 1033 CA ASN A 71 3.436 -10.379 3.172 1.00 0.00 C ATOM 1034 C ASN A 71 3.092 -11.019 4.530 1.00 0.00 C ATOM 1035 O ASN A 71 3.954 -11.628 5.170 1.00 0.00 O ATOM 1036 CB ASN A 71 4.175 -11.334 2.209 1.00 0.00 C ATOM 1037 CG ASN A 71 3.341 -12.522 1.754 1.00 0.00 C ATOM 1038 OD1 ASN A 71 2.198 -12.717 2.146 1.00 0.00 O ATOM 1039 ND2 ASN A 71 3.865 -13.337 0.877 1.00 0.00 N ATOM 0 H ASN A 71 5.154 -9.229 2.874 1.00 0.00 H new ATOM 0 HA ASN A 71 2.477 -10.125 2.720 1.00 0.00 H new ATOM 0 HB2 ASN A 71 4.497 -10.772 1.332 1.00 0.00 H new ATOM 0 HB3 ASN A 71 5.076 -11.702 2.700 1.00 0.00 H new ATOM 0 HD21 ASN A 71 3.322 -14.126 0.526 1.00 0.00 H new ATOM 0 HD22 ASN A 71 4.817 -13.184 0.543 1.00 0.00 H new ATOM 1046 N GLY A 72 1.850 -10.841 4.989 1.00 0.00 N ATOM 1047 CA GLY A 72 1.369 -11.394 6.261 1.00 0.00 C ATOM 1048 C GLY A 72 1.807 -10.640 7.529 1.00 0.00 C ATOM 1049 O GLY A 72 1.814 -11.246 8.605 1.00 0.00 O ATOM 0 H GLY A 72 1.143 -10.305 4.485 1.00 0.00 H new ATOM 0 HA2 GLY A 72 0.280 -11.420 6.235 1.00 0.00 H new ATOM 0 HA3 GLY A 72 1.711 -12.426 6.339 1.00 0.00 H new ATOM 1053 N LYS A 73 2.230 -9.371 7.422 1.00 0.00 N ATOM 1054 CA LYS A 73 2.669 -8.517 8.554 1.00 0.00 C ATOM 1055 C LYS A 73 1.489 -7.938 9.365 1.00 0.00 C ATOM 1056 O LYS A 73 0.332 -8.297 9.151 1.00 0.00 O ATOM 1057 CB LYS A 73 3.610 -7.414 8.009 1.00 0.00 C ATOM 1058 CG LYS A 73 4.813 -7.151 8.930 1.00 0.00 C ATOM 1059 CD LYS A 73 5.637 -5.944 8.453 1.00 0.00 C ATOM 1060 CE LYS A 73 7.038 -5.892 9.079 1.00 0.00 C ATOM 1061 NZ LYS A 73 6.996 -5.828 10.556 1.00 0.00 N ATOM 0 H LYS A 73 2.280 -8.890 6.524 1.00 0.00 H new ATOM 0 HA LYS A 73 3.215 -9.135 9.266 1.00 0.00 H new ATOM 0 HB2 LYS A 73 3.970 -7.705 7.022 1.00 0.00 H new ATOM 0 HB3 LYS A 73 3.045 -6.490 7.883 1.00 0.00 H new ATOM 0 HG2 LYS A 73 4.462 -6.974 9.947 1.00 0.00 H new ATOM 0 HG3 LYS A 73 5.448 -8.036 8.962 1.00 0.00 H new ATOM 0 HD2 LYS A 73 5.731 -5.981 7.368 1.00 0.00 H new ATOM 0 HD3 LYS A 73 5.102 -5.026 8.696 1.00 0.00 H new ATOM 0 HE2 LYS A 73 7.602 -6.773 8.773 1.00 0.00 H new ATOM 0 HE3 LYS A 73 7.572 -5.022 8.696 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 7.965 -5.760 10.928 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 6.452 -4.992 10.852 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 6.541 -6.686 10.928 1.00 0.00 H new ATOM 1075 N GLU A 74 1.787 -7.008 10.276 1.00 0.00 N ATOM 1076 CA GLU A 74 0.820 -6.245 11.079 1.00 0.00 C ATOM 1077 C GLU A 74 1.126 -4.736 11.001 1.00 0.00 C ATOM 1078 O GLU A 74 2.129 -4.267 11.547 1.00 0.00 O ATOM 1079 CB GLU A 74 0.863 -6.783 12.517 1.00 0.00 C ATOM 1080 CG GLU A 74 -0.190 -6.160 13.440 1.00 0.00 C ATOM 1081 CD GLU A 74 -0.058 -6.762 14.841 1.00 0.00 C ATOM 1082 OE1 GLU A 74 0.829 -6.305 15.607 1.00 0.00 O ATOM 1083 OE2 GLU A 74 -0.793 -7.733 15.155 1.00 0.00 O ATOM 0 H GLU A 74 2.752 -6.753 10.486 1.00 0.00 H new ATOM 0 HA GLU A 74 -0.191 -6.370 10.691 1.00 0.00 H new ATOM 0 HB2 GLU A 74 0.721 -7.863 12.496 1.00 0.00 H new ATOM 0 HB3 GLU A 74 1.853 -6.600 12.934 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -0.058 -5.079 13.483 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -1.189 -6.344 13.046 1.00 0.00 H new ATOM 1090 N LEU A 75 0.261 -3.966 10.334 1.00 0.00 N ATOM 1091 CA LEU A 75 0.384 -2.514 10.105 1.00 0.00 C ATOM 1092 C LEU A 75 -0.882 -1.806 10.606 1.00 0.00 C ATOM 1093 O LEU A 75 -1.979 -2.329 10.437 1.00 0.00 O ATOM 1094 CB LEU A 75 0.606 -2.224 8.603 1.00 0.00 C ATOM 1095 CG LEU A 75 2.027 -1.770 8.216 1.00 0.00 C ATOM 1096 CD1 LEU A 75 3.081 -2.861 8.398 1.00 0.00 C ATOM 1097 CD2 LEU A 75 2.037 -1.355 6.742 1.00 0.00 C ATOM 0 H LEU A 75 -0.586 -4.352 9.917 1.00 0.00 H new ATOM 0 HA LEU A 75 1.245 -2.136 10.657 1.00 0.00 H new ATOM 0 HB2 LEU A 75 0.365 -3.124 8.038 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -0.100 -1.454 8.292 1.00 0.00 H new ATOM 0 HG LEU A 75 2.280 -0.943 8.880 1.00 0.00 H new ATOM 0 HD11 LEU A 75 4.058 -2.475 8.108 1.00 0.00 H new ATOM 0 HD12 LEU A 75 3.109 -3.169 9.443 1.00 0.00 H new ATOM 0 HD13 LEU A 75 2.829 -3.718 7.773 1.00 0.00 H new ATOM 0 HD21 LEU A 75 3.040 -1.033 6.462 1.00 0.00 H new ATOM 0 HD22 LEU A 75 1.742 -2.203 6.123 1.00 0.00 H new ATOM 0 HD23 LEU A 75 1.336 -0.534 6.590 1.00 0.00 H new ATOM 1109 N ASP A 76 -0.750 -0.625 11.219 1.00 0.00 N ATOM 1110 CA ASP A 76 -1.847 0.099 11.891 1.00 0.00 C ATOM 1111 C ASP A 76 -2.612 -0.759 12.932 1.00 0.00 C ATOM 1112 O ASP A 76 -3.791 -0.530 13.207 1.00 0.00 O ATOM 1113 CB ASP A 76 -2.739 0.804 10.843 1.00 0.00 C ATOM 1114 CG ASP A 76 -3.764 1.764 11.468 1.00 0.00 C ATOM 1115 OD1 ASP A 76 -3.376 2.591 12.331 1.00 0.00 O ATOM 1116 OD2 ASP A 76 -4.954 1.729 11.078 1.00 0.00 O ATOM 0 H ASP A 76 0.141 -0.130 11.266 1.00 0.00 H new ATOM 0 HA ASP A 76 -1.410 0.884 12.508 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -2.106 1.359 10.151 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -3.266 0.050 10.258 1.00 0.00 H new ATOM 1121 N GLY A 77 -1.964 -1.785 13.498 1.00 0.00 N ATOM 1122 CA GLY A 77 -2.596 -2.765 14.392 1.00 0.00 C ATOM 1123 C GLY A 77 -3.560 -3.739 13.694 1.00 0.00 C ATOM 1124 O GLY A 77 -4.308 -4.444 14.381 1.00 0.00 O ATOM 0 H GLY A 77 -0.971 -1.961 13.346 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -1.815 -3.341 14.889 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -3.141 -2.230 15.170 1.00 0.00 H new ATOM 1128 N ARG A 78 -3.550 -3.786 12.354 1.00 0.00 N ATOM 1129 CA ARG A 78 -4.388 -4.627 11.484 1.00 0.00 C ATOM 1130 C ARG A 78 -3.516 -5.664 10.771 1.00 0.00 C ATOM 1131 O ARG A 78 -2.314 -5.464 10.606 1.00 0.00 O ATOM 1132 CB ARG A 78 -5.131 -3.804 10.400 1.00 0.00 C ATOM 1133 CG ARG A 78 -5.392 -2.306 10.607 1.00 0.00 C ATOM 1134 CD ARG A 78 -6.472 -1.969 11.632 1.00 0.00 C ATOM 1135 NE ARG A 78 -6.602 -0.506 11.732 1.00 0.00 N ATOM 1136 CZ ARG A 78 -7.571 0.196 12.279 1.00 0.00 C ATOM 1137 NH1 ARG A 78 -8.678 -0.337 12.701 1.00 0.00 N ATOM 1138 NH2 ARG A 78 -7.392 1.472 12.403 1.00 0.00 N ATOM 0 H ARG A 78 -2.915 -3.199 11.813 1.00 0.00 H new ATOM 0 HA ARG A 78 -5.128 -5.103 12.127 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -4.567 -3.908 9.473 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -6.098 -4.281 10.240 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -4.461 -1.831 10.915 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -5.673 -1.867 9.650 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -7.423 -2.412 11.335 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -6.213 -2.391 12.603 1.00 0.00 H new ATOM 0 HE ARG A 78 -5.840 0.035 11.323 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -8.825 -1.343 12.615 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -9.400 0.250 13.118 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -6.523 1.899 12.082 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -8.120 2.051 12.822 1.00 0.00 H new ATOM 1152 N SER A 79 -4.138 -6.716 10.251 1.00 0.00 N ATOM 1153 CA SER A 79 -3.512 -7.596 9.258 1.00 0.00 C ATOM 1154 C SER A 79 -3.299 -6.874 7.916 1.00 0.00 C ATOM 1155 O SER A 79 -4.081 -5.986 7.550 1.00 0.00 O ATOM 1156 CB SER A 79 -4.342 -8.875 9.088 1.00 0.00 C ATOM 1157 OG SER A 79 -5.647 -8.612 8.592 1.00 0.00 O ATOM 0 H SER A 79 -5.089 -6.987 10.502 1.00 0.00 H new ATOM 0 HA SER A 79 -2.524 -7.876 9.623 1.00 0.00 H new ATOM 0 HB2 SER A 79 -3.827 -9.551 8.406 1.00 0.00 H new ATOM 0 HB3 SER A 79 -4.417 -9.386 10.048 1.00 0.00 H new ATOM 0 HG SER A 79 -6.138 -9.455 8.498 1.00 0.00 H new ATOM 1163 N ILE A 80 -2.247 -7.250 7.181 1.00 0.00 N ATOM 1164 CA ILE A 80 -1.935 -6.737 5.835 1.00 0.00 C ATOM 1165 C ILE A 80 -1.681 -7.878 4.835 1.00 0.00 C ATOM 1166 O ILE A 80 -1.142 -8.932 5.186 1.00 0.00 O ATOM 1167 CB ILE A 80 -0.799 -5.672 5.865 1.00 0.00 C ATOM 1168 CG1 ILE A 80 -0.371 -5.237 4.442 1.00 0.00 C ATOM 1169 CG2 ILE A 80 0.411 -6.136 6.687 1.00 0.00 C ATOM 1170 CD1 ILE A 80 0.526 -3.999 4.376 1.00 0.00 C ATOM 0 H ILE A 80 -1.569 -7.937 7.511 1.00 0.00 H new ATOM 0 HA ILE A 80 -2.818 -6.212 5.470 1.00 0.00 H new ATOM 0 HB ILE A 80 -1.215 -4.797 6.365 1.00 0.00 H new ATOM 0 HG12 ILE A 80 0.151 -6.068 3.968 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -1.268 -5.046 3.853 1.00 0.00 H new ATOM 0 HG21 ILE A 80 1.176 -5.360 6.678 1.00 0.00 H new ATOM 0 HG22 ILE A 80 0.101 -6.328 7.714 1.00 0.00 H new ATOM 0 HG23 ILE A 80 0.816 -7.050 6.253 1.00 0.00 H new ATOM 0 HD11 ILE A 80 0.768 -3.780 3.336 1.00 0.00 H new ATOM 0 HD12 ILE A 80 0.005 -3.148 4.814 1.00 0.00 H new ATOM 0 HD13 ILE A 80 1.446 -4.186 4.931 1.00 0.00 H new ATOM 1182 N VAL A 81 -2.057 -7.629 3.576 1.00 0.00 N ATOM 1183 CA VAL A 81 -1.771 -8.448 2.389 1.00 0.00 C ATOM 1184 C VAL A 81 -1.220 -7.531 1.293 1.00 0.00 C ATOM 1185 O VAL A 81 -1.673 -6.393 1.139 1.00 0.00 O ATOM 1186 CB VAL A 81 -3.033 -9.212 1.925 1.00 0.00 C ATOM 1187 CG1 VAL A 81 -2.891 -9.875 0.547 1.00 0.00 C ATOM 1188 CG2 VAL A 81 -3.373 -10.326 2.922 1.00 0.00 C ATOM 0 H VAL A 81 -2.603 -6.800 3.342 1.00 0.00 H new ATOM 0 HA VAL A 81 -1.025 -9.206 2.628 1.00 0.00 H new ATOM 0 HB VAL A 81 -3.815 -8.455 1.865 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -3.818 -10.390 0.294 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -2.683 -9.113 -0.204 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -2.072 -10.593 0.572 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -4.263 -10.857 2.585 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -2.538 -11.023 2.987 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -3.560 -9.891 3.904 1.00 0.00 H new ATOM 1198 N VAL A 82 -0.236 -8.022 0.538 1.00 0.00 N ATOM 1199 CA VAL A 82 0.411 -7.311 -0.578 1.00 0.00 C ATOM 1200 C VAL A 82 0.351 -8.113 -1.883 1.00 0.00 C ATOM 1201 O VAL A 82 0.410 -9.342 -1.862 1.00 0.00 O ATOM 1202 CB VAL A 82 1.863 -6.912 -0.270 1.00 0.00 C ATOM 1203 CG1 VAL A 82 1.859 -5.765 0.741 1.00 0.00 C ATOM 1204 CG2 VAL A 82 2.729 -8.060 0.259 1.00 0.00 C ATOM 0 H VAL A 82 0.149 -8.955 0.687 1.00 0.00 H new ATOM 0 HA VAL A 82 -0.162 -6.393 -0.709 1.00 0.00 H new ATOM 0 HB VAL A 82 2.311 -6.608 -1.216 1.00 0.00 H new ATOM 0 HG11 VAL A 82 2.885 -5.475 0.966 1.00 0.00 H new ATOM 0 HG12 VAL A 82 1.324 -4.913 0.322 1.00 0.00 H new ATOM 0 HG13 VAL A 82 1.365 -6.089 1.657 1.00 0.00 H new ATOM 0 HG21 VAL A 82 3.738 -7.696 0.451 1.00 0.00 H new ATOM 0 HG22 VAL A 82 2.299 -8.444 1.184 1.00 0.00 H new ATOM 0 HG23 VAL A 82 2.767 -8.859 -0.482 1.00 0.00 H new ATOM 1214 N ASN A 83 0.321 -7.429 -3.029 1.00 0.00 N ATOM 1215 CA ASN A 83 0.789 -7.987 -4.306 1.00 0.00 C ATOM 1216 C ASN A 83 1.470 -6.916 -5.156 1.00 0.00 C ATOM 1217 O ASN A 83 1.187 -5.729 -5.038 1.00 0.00 O ATOM 1218 CB ASN A 83 -0.328 -8.684 -5.115 1.00 0.00 C ATOM 1219 CG ASN A 83 -1.541 -7.811 -5.415 1.00 0.00 C ATOM 1220 OD1 ASN A 83 -2.518 -7.774 -4.676 1.00 0.00 O ATOM 1221 ND2 ASN A 83 -1.548 -7.092 -6.513 1.00 0.00 N ATOM 0 H ASN A 83 -0.028 -6.473 -3.101 1.00 0.00 H new ATOM 0 HA ASN A 83 1.517 -8.756 -4.048 1.00 0.00 H new ATOM 0 HB2 ASN A 83 0.091 -9.035 -6.058 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -0.659 -9.565 -4.565 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -2.358 -6.515 -6.739 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -0.744 -7.110 -7.140 1.00 0.00 H new ATOM 1228 N GLU A 84 2.314 -7.347 -6.084 1.00 0.00 N ATOM 1229 CA GLU A 84 2.805 -6.514 -7.184 1.00 0.00 C ATOM 1230 C GLU A 84 1.652 -5.986 -8.065 1.00 0.00 C ATOM 1231 O GLU A 84 0.660 -6.682 -8.304 1.00 0.00 O ATOM 1232 CB GLU A 84 3.825 -7.319 -8.003 1.00 0.00 C ATOM 1233 CG GLU A 84 3.369 -8.751 -8.325 1.00 0.00 C ATOM 1234 CD GLU A 84 4.370 -9.440 -9.257 1.00 0.00 C ATOM 1235 OE1 GLU A 84 4.272 -9.298 -10.500 1.00 0.00 O ATOM 1236 OE2 GLU A 84 5.275 -10.136 -8.734 1.00 0.00 O ATOM 0 H GLU A 84 2.684 -8.297 -6.098 1.00 0.00 H new ATOM 0 HA GLU A 84 3.295 -5.633 -6.770 1.00 0.00 H new ATOM 0 HB2 GLU A 84 4.024 -6.792 -8.936 1.00 0.00 H new ATOM 0 HB3 GLU A 84 4.766 -7.362 -7.454 1.00 0.00 H new ATOM 0 HG2 GLU A 84 3.270 -9.323 -7.402 1.00 0.00 H new ATOM 0 HG3 GLU A 84 2.385 -8.728 -8.793 1.00 0.00 H new ATOM 1243 N ALA A 85 1.755 -4.739 -8.536 1.00 0.00 N ATOM 1244 CA ALA A 85 0.674 -4.064 -9.258 1.00 0.00 C ATOM 1245 C ALA A 85 0.385 -4.689 -10.632 1.00 0.00 C ATOM 1246 O ALA A 85 -0.765 -4.642 -11.078 1.00 0.00 O ATOM 1247 CB ALA A 85 1.001 -2.571 -9.367 1.00 0.00 C ATOM 0 H ALA A 85 2.593 -4.168 -8.426 1.00 0.00 H new ATOM 0 HA ALA A 85 -0.246 -4.193 -8.689 1.00 0.00 H new ATOM 0 HB1 ALA A 85 0.201 -2.061 -9.903 1.00 0.00 H new ATOM 0 HB2 ALA A 85 1.096 -2.146 -8.368 1.00 0.00 H new ATOM 0 HB3 ALA A 85 1.939 -2.442 -9.907 1.00 0.00 H new ATOM 1253 N GLN A 86 1.364 -5.349 -11.263 1.00 0.00 N ATOM 1254 CA GLN A 86 1.172 -6.094 -12.513 1.00 0.00 C ATOM 1255 C GLN A 86 0.071 -7.180 -12.385 1.00 0.00 C ATOM 1256 O GLN A 86 -0.631 -7.459 -13.356 1.00 0.00 O ATOM 1257 CB GLN A 86 2.518 -6.703 -12.956 1.00 0.00 C ATOM 1258 CG GLN A 86 2.474 -7.237 -14.400 1.00 0.00 C ATOM 1259 CD GLN A 86 3.756 -7.952 -14.826 1.00 0.00 C ATOM 1260 OE1 GLN A 86 4.255 -8.848 -14.159 1.00 0.00 O ATOM 1261 NE2 GLN A 86 4.319 -7.617 -15.969 1.00 0.00 N ATOM 0 H GLN A 86 2.323 -5.381 -10.916 1.00 0.00 H new ATOM 0 HA GLN A 86 0.824 -5.400 -13.278 1.00 0.00 H new ATOM 0 HB2 GLN A 86 3.300 -5.948 -12.874 1.00 0.00 H new ATOM 0 HB3 GLN A 86 2.787 -7.514 -12.280 1.00 0.00 H new ATOM 0 HG2 GLN A 86 1.634 -7.925 -14.499 1.00 0.00 H new ATOM 0 HG3 GLN A 86 2.288 -6.406 -15.081 1.00 0.00 H new ATOM 0 HE21 GLN A 86 3.916 -6.872 -16.537 1.00 0.00 H new ATOM 0 HE22 GLN A 86 5.158 -8.103 -16.286 1.00 0.00 H new ATOM 1270 N SER A 87 -0.165 -7.738 -11.185 1.00 0.00 N ATOM 1271 CA SER A 87 -1.240 -8.724 -10.933 1.00 0.00 C ATOM 1272 C SER A 87 -2.653 -8.119 -11.030 1.00 0.00 C ATOM 1273 O SER A 87 -3.641 -8.849 -11.153 1.00 0.00 O ATOM 1274 CB SER A 87 -1.059 -9.391 -9.564 1.00 0.00 C ATOM 1275 OG SER A 87 0.171 -10.093 -9.475 1.00 0.00 O ATOM 0 H SER A 87 0.386 -7.519 -10.355 1.00 0.00 H new ATOM 0 HA SER A 87 -1.152 -9.471 -11.722 1.00 0.00 H new ATOM 0 HB2 SER A 87 -1.101 -8.632 -8.782 1.00 0.00 H new ATOM 0 HB3 SER A 87 -1.884 -10.080 -9.384 1.00 0.00 H new ATOM 0 HG SER A 87 0.251 -10.503 -8.588 1.00 0.00 H new ATOM 1281 N ARG A 88 -2.756 -6.785 -10.982 1.00 0.00 N ATOM 1282 CA ARG A 88 -3.991 -5.984 -11.053 1.00 0.00 C ATOM 1283 C ARG A 88 -4.007 -5.024 -12.264 1.00 0.00 C ATOM 1284 O ARG A 88 -4.838 -4.121 -12.332 1.00 0.00 O ATOM 1285 CB ARG A 88 -4.150 -5.260 -9.699 1.00 0.00 C ATOM 1286 CG ARG A 88 -5.604 -4.912 -9.357 1.00 0.00 C ATOM 1287 CD ARG A 88 -5.680 -4.015 -8.118 1.00 0.00 C ATOM 1288 NE ARG A 88 -7.079 -3.705 -7.784 1.00 0.00 N ATOM 1289 CZ ARG A 88 -7.871 -4.405 -6.992 1.00 0.00 C ATOM 1290 NH1 ARG A 88 -7.455 -5.464 -6.352 1.00 0.00 N ATOM 1291 NH2 ARG A 88 -9.114 -4.050 -6.832 1.00 0.00 N ATOM 0 H ARG A 88 -1.929 -6.196 -10.887 1.00 0.00 H new ATOM 0 HA ARG A 88 -4.851 -6.633 -11.221 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -3.740 -5.890 -8.909 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -3.560 -4.344 -9.715 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -6.069 -4.408 -10.204 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -6.169 -5.828 -9.182 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -5.201 -4.511 -7.274 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -5.131 -3.091 -8.298 1.00 0.00 H new ATOM 0 HE ARG A 88 -7.477 -2.866 -8.206 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -6.489 -5.776 -6.455 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -8.096 -5.980 -5.749 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -9.477 -3.230 -7.319 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -9.724 -4.592 -6.220 1.00 0.00 H new ATOM 1305 N GLY A 89 -3.065 -5.173 -13.203 1.00 0.00 N ATOM 1306 CA GLY A 89 -2.768 -4.183 -14.246 1.00 0.00 C ATOM 1307 C GLY A 89 -3.970 -3.812 -15.125 1.00 0.00 C ATOM 1308 O GLY A 89 -4.704 -4.689 -15.596 1.00 0.00 O ATOM 0 H GLY A 89 -2.475 -6.003 -13.260 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -2.385 -3.278 -13.773 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -1.973 -4.571 -14.883 1.00 0.00 H new ATOM 1312 N TYR A 90 -4.166 -2.512 -15.354 1.00 0.00 N ATOM 1313 CA TYR A 90 -5.255 -1.971 -16.173 1.00 0.00 C ATOM 1314 C TYR A 90 -5.107 -2.361 -17.656 1.00 0.00 C ATOM 1315 O TYR A 90 -3.994 -2.459 -18.187 1.00 0.00 O ATOM 1316 CB TYR A 90 -5.313 -0.450 -15.978 1.00 0.00 C ATOM 1317 CG TYR A 90 -6.516 0.236 -16.594 1.00 0.00 C ATOM 1318 CD1 TYR A 90 -6.457 0.691 -17.925 1.00 0.00 C ATOM 1319 CD2 TYR A 90 -7.676 0.465 -15.827 1.00 0.00 C ATOM 1320 CE1 TYR A 90 -7.527 1.419 -18.473 1.00 0.00 C ATOM 1321 CE2 TYR A 90 -8.751 1.196 -16.373 1.00 0.00 C ATOM 1322 CZ TYR A 90 -8.661 1.709 -17.684 1.00 0.00 C ATOM 1323 OH TYR A 90 -9.645 2.507 -18.175 1.00 0.00 O ATOM 0 H TYR A 90 -3.559 -1.789 -14.967 1.00 0.00 H new ATOM 0 HA TYR A 90 -6.200 -2.406 -15.846 1.00 0.00 H new ATOM 0 HB2 TYR A 90 -5.301 -0.236 -14.909 1.00 0.00 H new ATOM 0 HB3 TYR A 90 -4.409 -0.011 -16.401 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -5.586 0.480 -18.527 1.00 0.00 H new ATOM 0 HD2 TYR A 90 -7.742 0.080 -14.820 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -7.482 1.757 -19.498 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -9.643 1.363 -15.788 1.00 0.00 H new ATOM 0 HH TYR A 90 -10.353 2.604 -17.504 1.00 0.00 H new ATOM 1333 N GLY A 91 -6.232 -2.611 -18.330 1.00 0.00 N ATOM 1334 CA GLY A 91 -6.291 -3.138 -19.700 1.00 0.00 C ATOM 1335 C GLY A 91 -6.061 -4.654 -19.815 1.00 0.00 C ATOM 1336 O GLY A 91 -6.294 -5.225 -20.885 1.00 0.00 O ATOM 0 H GLY A 91 -7.155 -2.448 -17.928 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -7.266 -2.899 -20.125 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -5.544 -2.624 -20.305 1.00 0.00 H new ATOM 1340 N GLY A 92 -5.623 -5.315 -18.733 1.00 0.00 N ATOM 1341 CA GLY A 92 -5.327 -6.753 -18.669 1.00 0.00 C ATOM 1342 C GLY A 92 -4.073 -7.150 -19.428 1.00 0.00 C ATOM 1343 O GLY A 92 -4.188 -7.971 -20.363 1.00 0.00 O ATOM 1344 OXT GLY A 92 -2.976 -6.637 -19.119 1.00 0.00 O ATOM 0 H GLY A 92 -5.459 -4.843 -17.844 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -5.218 -7.047 -17.625 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -6.175 -7.308 -19.070 1.00 0.00 H new TER 1348 GLY A 92