USER MOD reduce.3.24.130724 H: found=0, std=0, add=552, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 552 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 23 TYR OH : rot -16:sc= 1.2 USER MOD Set 1.2: A 55 SER OG : rot -76:sc= 1.27 USER MOD Single : A 4 TYR OH : rot -15:sc= 1.31 USER MOD Single : A 5 TYR OH : rot 180:sc= 0.652 USER MOD Single : A 6 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 7 THR OG1 : rot -127:sc= 1.35 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ -165:sc= 1.78 (180deg=1.11) USER MOD Single : A 26 GLN : amide:sc= 0.92 K(o=0.92,f=-2.1!) USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 HIS : no HD1:sc= -0.424 K(o=-0.42,f=-2.5!) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 ASN : amide:sc= -0.741 K(o=-0.74,f=-2.7!) USER MOD Single : A 36 LYS NZ :NH3+ -159:sc= 1.16 (180deg=0.826) USER MOD Single : A 43 LYS NZ :NH3+ -156:sc= 1.26 (180deg=1.21) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 157:sc= 1.15 (180deg=0.721) USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 47 N ASP A 3 7.378 -1.373 3.111 1.00 0.00 N ATOM 48 CA ASP A 3 7.782 -1.246 1.711 1.00 0.00 C ATOM 49 C ASP A 3 6.752 -0.383 0.966 1.00 0.00 C ATOM 50 O ASP A 3 7.058 0.241 -0.049 1.00 0.00 O ATOM 51 CB ASP A 3 7.856 -2.628 1.065 1.00 0.00 C ATOM 52 CG ASP A 3 8.203 -2.488 -0.414 1.00 0.00 C ATOM 53 OD1 ASP A 3 9.412 -2.341 -0.708 1.00 0.00 O ATOM 54 OD2 ASP A 3 7.319 -2.590 -1.284 1.00 0.00 O ATOM 0 HA ASP A 3 8.764 -0.776 1.657 1.00 0.00 H new ATOM 0 HB2 ASP A 3 8.608 -3.235 1.569 1.00 0.00 H new ATOM 0 HB3 ASP A 3 6.902 -3.144 1.177 1.00 0.00 H new ATOM 59 N TYR A 4 5.520 -0.336 1.489 1.00 0.00 N ATOM 60 CA TYR A 4 4.331 0.326 0.967 1.00 0.00 C ATOM 61 C TYR A 4 3.825 -0.319 -0.325 1.00 0.00 C ATOM 62 O TYR A 4 2.698 -0.808 -0.344 1.00 0.00 O ATOM 63 CB TYR A 4 4.502 1.849 0.884 1.00 0.00 C ATOM 64 CG TYR A 4 4.862 2.529 2.199 1.00 0.00 C ATOM 65 CD1 TYR A 4 4.119 2.277 3.370 1.00 0.00 C ATOM 66 CD2 TYR A 4 5.928 3.447 2.253 1.00 0.00 C ATOM 67 CE1 TYR A 4 4.401 2.956 4.566 1.00 0.00 C ATOM 68 CE2 TYR A 4 6.200 4.149 3.442 1.00 0.00 C ATOM 69 CZ TYR A 4 5.425 3.923 4.602 1.00 0.00 C ATOM 70 OH TYR A 4 5.652 4.653 5.730 1.00 0.00 O ATOM 0 H TYR A 4 5.318 -0.807 2.371 1.00 0.00 H new ATOM 0 HA TYR A 4 3.532 0.170 1.691 1.00 0.00 H new ATOM 0 HB2 TYR A 4 5.278 2.073 0.152 1.00 0.00 H new ATOM 0 HB3 TYR A 4 3.575 2.284 0.509 1.00 0.00 H new ATOM 0 HD1 TYR A 4 3.320 1.550 3.347 1.00 0.00 H new ATOM 0 HD2 TYR A 4 6.539 3.613 1.378 1.00 0.00 H new ATOM 0 HE1 TYR A 4 3.833 2.737 5.458 1.00 0.00 H new ATOM 0 HE2 TYR A 4 7.007 4.866 3.468 1.00 0.00 H new ATOM 0 HH TYR A 4 4.889 4.560 6.339 1.00 0.00 H new ATOM 80 N TYR A 5 4.652 -0.384 -1.371 1.00 0.00 N ATOM 81 CA TYR A 5 4.383 -1.070 -2.636 1.00 0.00 C ATOM 82 C TYR A 5 3.850 -2.486 -2.317 1.00 0.00 C ATOM 83 O TYR A 5 2.695 -2.824 -2.588 1.00 0.00 O ATOM 84 CB TYR A 5 5.705 -1.104 -3.456 1.00 0.00 C ATOM 85 CG TYR A 5 5.641 -0.758 -4.925 1.00 0.00 C ATOM 86 CD1 TYR A 5 4.630 -1.326 -5.701 1.00 0.00 C ATOM 87 CD2 TYR A 5 6.685 -0.052 -5.556 1.00 0.00 C ATOM 88 CE1 TYR A 5 4.659 -1.225 -7.096 1.00 0.00 C ATOM 89 CE2 TYR A 5 6.670 0.144 -6.950 1.00 0.00 C ATOM 90 CZ TYR A 5 5.654 -0.456 -7.727 1.00 0.00 C ATOM 91 OH TYR A 5 5.652 -0.379 -9.083 1.00 0.00 O ATOM 0 H TYR A 5 5.570 0.061 -1.358 1.00 0.00 H new ATOM 0 HA TYR A 5 3.628 -0.556 -3.231 1.00 0.00 H new ATOM 0 HB2 TYR A 5 6.408 -0.419 -2.983 1.00 0.00 H new ATOM 0 HB3 TYR A 5 6.126 -2.105 -3.367 1.00 0.00 H new ATOM 0 HD1 TYR A 5 3.817 -1.849 -5.220 1.00 0.00 H new ATOM 0 HD2 TYR A 5 7.501 0.341 -4.967 1.00 0.00 H new ATOM 0 HE1 TYR A 5 3.917 -1.738 -7.689 1.00 0.00 H new ATOM 0 HE2 TYR A 5 7.430 0.749 -7.422 1.00 0.00 H new ATOM 0 HH TYR A 5 6.395 0.187 -9.380 1.00 0.00 H new ATOM 101 N GLN A 6 4.690 -3.300 -1.677 1.00 0.00 N ATOM 102 CA GLN A 6 4.470 -4.703 -1.350 1.00 0.00 C ATOM 103 C GLN A 6 3.593 -4.852 -0.115 1.00 0.00 C ATOM 104 O GLN A 6 2.947 -5.888 0.069 1.00 0.00 O ATOM 105 CB GLN A 6 5.850 -5.329 -1.128 1.00 0.00 C ATOM 106 CG GLN A 6 5.878 -6.859 -1.111 1.00 0.00 C ATOM 107 CD GLN A 6 7.311 -7.370 -1.259 1.00 0.00 C ATOM 108 OE1 GLN A 6 7.632 -8.086 -2.210 1.00 0.00 O ATOM 109 NE2 GLN A 6 8.200 -7.064 -0.331 1.00 0.00 N ATOM 0 H GLN A 6 5.600 -2.972 -1.354 1.00 0.00 H new ATOM 0 HA GLN A 6 3.943 -5.208 -2.160 1.00 0.00 H new ATOM 0 HB2 GLN A 6 6.520 -4.978 -1.913 1.00 0.00 H new ATOM 0 HB3 GLN A 6 6.249 -4.964 -0.181 1.00 0.00 H new ATOM 0 HG2 GLN A 6 5.449 -7.226 -0.179 1.00 0.00 H new ATOM 0 HG3 GLN A 6 5.261 -7.249 -1.921 1.00 0.00 H new ATOM 0 HE21 GLN A 6 7.933 -6.472 0.455 1.00 0.00 H new ATOM 0 HE22 GLN A 6 9.153 -7.420 -0.401 1.00 0.00 H new ATOM 118 N THR A 7 3.499 -3.802 0.701 1.00 0.00 N ATOM 119 CA THR A 7 2.539 -3.784 1.789 1.00 0.00 C ATOM 120 C THR A 7 1.099 -3.825 1.263 1.00 0.00 C ATOM 121 O THR A 7 0.238 -4.425 1.909 1.00 0.00 O ATOM 122 CB THR A 7 2.772 -2.522 2.631 1.00 0.00 C ATOM 123 OG1 THR A 7 4.089 -2.453 3.159 1.00 0.00 O ATOM 124 CG2 THR A 7 1.743 -2.412 3.743 1.00 0.00 C ATOM 0 H THR A 7 4.073 -2.963 0.625 1.00 0.00 H new ATOM 0 HA THR A 7 2.681 -4.671 2.406 1.00 0.00 H new ATOM 0 HB THR A 7 2.653 -1.672 1.958 1.00 0.00 H new ATOM 0 HG1 THR A 7 4.046 -2.318 4.129 1.00 0.00 H new ATOM 0 HG21 THR A 7 1.931 -1.509 4.324 1.00 0.00 H new ATOM 0 HG22 THR A 7 0.744 -2.364 3.310 1.00 0.00 H new ATOM 0 HG23 THR A 7 1.815 -3.284 4.393 1.00 0.00 H new ATOM 132 N LEU A 8 0.859 -3.337 0.046 1.00 0.00 N ATOM 133 CA LEU A 8 -0.433 -3.442 -0.634 1.00 0.00 C ATOM 134 C LEU A 8 -0.463 -4.647 -1.585 1.00 0.00 C ATOM 135 O LEU A 8 -1.512 -4.994 -2.117 1.00 0.00 O ATOM 136 CB LEU A 8 -0.776 -2.118 -1.339 1.00 0.00 C ATOM 137 CG LEU A 8 -2.284 -1.969 -1.663 1.00 0.00 C ATOM 138 CD1 LEU A 8 -3.074 -1.654 -0.386 1.00 0.00 C ATOM 139 CD2 LEU A 8 -2.571 -0.866 -2.683 1.00 0.00 C ATOM 0 H LEU A 8 1.567 -2.850 -0.504 1.00 0.00 H new ATOM 0 HA LEU A 8 -1.210 -3.621 0.110 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -0.463 -1.286 -0.707 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -0.204 -2.048 -2.264 1.00 0.00 H new ATOM 0 HG LEU A 8 -2.594 -2.921 -2.093 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -4.132 -1.552 -0.628 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -2.943 -2.463 0.332 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -2.709 -0.722 0.047 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -3.644 -0.811 -2.868 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -2.221 0.090 -2.293 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -2.053 -1.089 -3.616 1.00 0.00 H new ATOM 151 N GLY A 9 0.663 -5.337 -1.763 1.00 0.00 N ATOM 152 CA GLY A 9 0.751 -6.514 -2.608 1.00 0.00 C ATOM 153 C GLY A 9 1.005 -6.160 -4.071 1.00 0.00 C ATOM 154 O GLY A 9 0.437 -6.792 -4.969 1.00 0.00 O ATOM 0 H GLY A 9 1.546 -5.087 -1.317 1.00 0.00 H new ATOM 0 HA2 GLY A 9 1.553 -7.158 -2.248 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -0.175 -7.084 -2.530 1.00 0.00 H new ATOM 158 N LEU A 10 1.853 -5.162 -4.328 1.00 0.00 N ATOM 159 CA LEU A 10 2.346 -4.769 -5.647 1.00 0.00 C ATOM 160 C LEU A 10 3.869 -4.641 -5.572 1.00 0.00 C ATOM 161 O LEU A 10 4.411 -4.502 -4.482 1.00 0.00 O ATOM 162 CB LEU A 10 1.753 -3.413 -6.033 1.00 0.00 C ATOM 163 CG LEU A 10 0.231 -3.396 -6.224 1.00 0.00 C ATOM 164 CD1 LEU A 10 -0.372 -2.437 -5.206 1.00 0.00 C ATOM 165 CD2 LEU A 10 -0.160 -2.935 -7.620 1.00 0.00 C ATOM 0 H LEU A 10 2.233 -4.577 -3.583 1.00 0.00 H new ATOM 0 HA LEU A 10 2.059 -5.514 -6.389 1.00 0.00 H new ATOM 0 HB2 LEU A 10 2.015 -2.688 -5.263 1.00 0.00 H new ATOM 0 HB3 LEU A 10 2.223 -3.079 -6.958 1.00 0.00 H new ATOM 0 HG LEU A 10 -0.142 -4.411 -6.087 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -1.455 -2.412 -5.327 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -0.127 -2.774 -4.199 1.00 0.00 H new ATOM 0 HD13 LEU A 10 0.034 -1.438 -5.363 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -1.246 -2.938 -7.713 1.00 0.00 H new ATOM 0 HD22 LEU A 10 0.216 -1.926 -7.789 1.00 0.00 H new ATOM 0 HD23 LEU A 10 0.269 -3.611 -8.360 1.00 0.00 H new ATOM 177 N ALA A 11 4.556 -4.600 -6.713 1.00 0.00 N ATOM 178 CA ALA A 11 5.967 -4.250 -6.827 1.00 0.00 C ATOM 179 C ALA A 11 6.348 -4.123 -8.297 1.00 0.00 C ATOM 180 O ALA A 11 5.858 -4.891 -9.121 1.00 0.00 O ATOM 181 CB ALA A 11 6.843 -5.338 -6.234 1.00 0.00 C ATOM 0 H ALA A 11 4.129 -4.817 -7.613 1.00 0.00 H new ATOM 0 HA ALA A 11 6.118 -3.311 -6.294 1.00 0.00 H new ATOM 0 HB1 ALA A 11 7.891 -5.054 -6.331 1.00 0.00 H new ATOM 0 HB2 ALA A 11 6.598 -5.468 -5.180 1.00 0.00 H new ATOM 0 HB3 ALA A 11 6.670 -6.274 -6.765 1.00 0.00 H new ATOM 187 N ARG A 12 7.253 -3.183 -8.602 1.00 0.00 N ATOM 188 CA ARG A 12 7.862 -2.928 -9.914 1.00 0.00 C ATOM 189 C ARG A 12 6.904 -3.197 -11.076 1.00 0.00 C ATOM 190 O ARG A 12 7.215 -3.935 -12.019 1.00 0.00 O ATOM 191 CB ARG A 12 9.242 -3.605 -10.044 1.00 0.00 C ATOM 192 CG ARG A 12 9.329 -5.142 -10.090 1.00 0.00 C ATOM 193 CD ARG A 12 9.361 -5.843 -8.727 1.00 0.00 C ATOM 194 NE ARG A 12 9.799 -7.246 -8.845 1.00 0.00 N ATOM 195 CZ ARG A 12 11.064 -7.691 -8.837 1.00 0.00 C ATOM 196 NH1 ARG A 12 12.077 -6.843 -8.664 1.00 0.00 N ATOM 197 NH2 ARG A 12 11.319 -8.982 -9.014 1.00 0.00 N ATOM 0 H ARG A 12 7.602 -2.539 -7.892 1.00 0.00 H new ATOM 0 HA ARG A 12 8.060 -1.858 -9.981 1.00 0.00 H new ATOM 0 HB2 ARG A 12 9.709 -3.224 -10.952 1.00 0.00 H new ATOM 0 HB3 ARG A 12 9.852 -3.268 -9.206 1.00 0.00 H new ATOM 0 HG2 ARG A 12 8.476 -5.520 -10.653 1.00 0.00 H new ATOM 0 HG3 ARG A 12 10.225 -5.421 -10.644 1.00 0.00 H new ATOM 0 HD2 ARG A 12 10.034 -5.307 -8.058 1.00 0.00 H new ATOM 0 HD3 ARG A 12 8.369 -5.808 -8.277 1.00 0.00 H new ATOM 0 HE ARG A 12 9.066 -7.949 -8.943 1.00 0.00 H new ATOM 0 HH11 ARG A 12 11.893 -5.848 -8.536 1.00 0.00 H new ATOM 0 HH12 ARG A 12 13.037 -7.189 -8.659 1.00 0.00 H new ATOM 0 HH21 ARG A 12 10.552 -9.639 -9.157 1.00 0.00 H new ATOM 0 HH22 ARG A 12 12.282 -9.317 -9.007 1.00 0.00 H new ATOM 211 N GLY A 13 5.722 -2.591 -11.021 1.00 0.00 N ATOM 212 CA GLY A 13 4.620 -2.994 -11.877 1.00 0.00 C ATOM 213 C GLY A 13 3.263 -2.452 -11.453 1.00 0.00 C ATOM 214 O GLY A 13 2.305 -2.645 -12.203 1.00 0.00 O ATOM 0 H GLY A 13 5.506 -1.819 -10.391 1.00 0.00 H new ATOM 0 HA2 GLY A 13 4.827 -2.664 -12.895 1.00 0.00 H new ATOM 0 HA3 GLY A 13 4.572 -4.083 -11.898 1.00 0.00 H new ATOM 218 N ALA A 14 3.154 -1.748 -10.319 1.00 0.00 N ATOM 219 CA ALA A 14 1.939 -0.980 -10.035 1.00 0.00 C ATOM 220 C ALA A 14 1.609 0.005 -11.165 1.00 0.00 C ATOM 221 O ALA A 14 2.497 0.533 -11.845 1.00 0.00 O ATOM 222 CB ALA A 14 2.064 -0.174 -8.736 1.00 0.00 C ATOM 0 H ALA A 14 3.875 -1.695 -9.599 1.00 0.00 H new ATOM 0 HA ALA A 14 1.142 -1.717 -9.940 1.00 0.00 H new ATOM 0 HB1 ALA A 14 1.142 0.381 -8.562 1.00 0.00 H new ATOM 0 HB2 ALA A 14 2.242 -0.853 -7.902 1.00 0.00 H new ATOM 0 HB3 ALA A 14 2.897 0.524 -8.819 1.00 0.00 H new ATOM 228 N SER A 15 0.323 0.306 -11.285 1.00 0.00 N ATOM 229 CA SER A 15 -0.257 1.472 -11.932 1.00 0.00 C ATOM 230 C SER A 15 -1.381 1.937 -11.016 1.00 0.00 C ATOM 231 O SER A 15 -1.692 1.273 -10.025 1.00 0.00 O ATOM 232 CB SER A 15 -0.752 1.126 -13.344 1.00 0.00 C ATOM 233 OG SER A 15 -1.812 0.196 -13.270 1.00 0.00 O ATOM 0 H SER A 15 -0.396 -0.307 -10.902 1.00 0.00 H new ATOM 0 HA SER A 15 0.473 2.269 -12.072 1.00 0.00 H new ATOM 0 HB2 SER A 15 -1.086 2.030 -13.853 1.00 0.00 H new ATOM 0 HB3 SER A 15 0.066 0.712 -13.934 1.00 0.00 H new ATOM 0 HG SER A 15 -2.123 -0.018 -14.174 1.00 0.00 H new ATOM 239 N ASP A 16 -2.010 3.065 -11.328 1.00 0.00 N ATOM 240 CA ASP A 16 -3.017 3.650 -10.451 1.00 0.00 C ATOM 241 C ASP A 16 -4.262 2.743 -10.366 1.00 0.00 C ATOM 242 O ASP A 16 -4.955 2.662 -9.349 1.00 0.00 O ATOM 243 CB ASP A 16 -3.357 5.048 -10.982 1.00 0.00 C ATOM 244 CG ASP A 16 -4.197 5.836 -9.990 1.00 0.00 C ATOM 245 OD1 ASP A 16 -5.435 5.676 -10.004 1.00 0.00 O ATOM 246 OD2 ASP A 16 -3.617 6.594 -9.181 1.00 0.00 O ATOM 0 H ASP A 16 -1.839 3.593 -12.184 1.00 0.00 H new ATOM 0 HA ASP A 16 -2.632 3.738 -9.435 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -2.436 5.592 -11.192 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -3.896 4.958 -11.925 1.00 0.00 H new ATOM 251 N GLU A 17 -4.513 1.996 -11.441 1.00 0.00 N ATOM 252 CA GLU A 17 -5.536 0.969 -11.574 1.00 0.00 C ATOM 253 C GLU A 17 -5.179 -0.265 -10.763 1.00 0.00 C ATOM 254 O GLU A 17 -6.062 -0.823 -10.111 1.00 0.00 O ATOM 255 CB GLU A 17 -5.664 0.659 -13.073 1.00 0.00 C ATOM 256 CG GLU A 17 -6.520 -0.569 -13.411 1.00 0.00 C ATOM 257 CD GLU A 17 -6.820 -0.673 -14.910 1.00 0.00 C ATOM 258 OE1 GLU A 17 -5.943 -0.344 -15.749 1.00 0.00 O ATOM 259 OE2 GLU A 17 -7.962 -1.066 -15.260 1.00 0.00 O ATOM 0 H GLU A 17 -3.968 2.103 -12.297 1.00 0.00 H new ATOM 0 HA GLU A 17 -6.492 1.314 -11.181 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -6.090 1.529 -13.573 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -4.666 0.512 -13.485 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -6.003 -1.471 -13.083 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -7.458 -0.519 -12.858 1.00 0.00 H new ATOM 266 N GLU A 18 -3.907 -0.667 -10.764 1.00 0.00 N ATOM 267 CA GLU A 18 -3.475 -1.885 -10.104 1.00 0.00 C ATOM 268 C GLU A 18 -3.469 -1.592 -8.609 1.00 0.00 C ATOM 269 O GLU A 18 -3.818 -2.450 -7.810 1.00 0.00 O ATOM 270 CB GLU A 18 -2.073 -2.278 -10.605 1.00 0.00 C ATOM 271 CG GLU A 18 -1.922 -3.745 -11.039 1.00 0.00 C ATOM 272 CD GLU A 18 -2.478 -4.790 -10.066 1.00 0.00 C ATOM 273 OE1 GLU A 18 -1.724 -5.281 -9.193 1.00 0.00 O ATOM 274 OE2 GLU A 18 -3.642 -5.214 -10.257 1.00 0.00 O ATOM 0 H GLU A 18 -3.154 -0.154 -11.223 1.00 0.00 H new ATOM 0 HA GLU A 18 -4.139 -2.721 -10.321 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -1.813 -1.638 -11.448 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -1.351 -2.073 -9.814 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -2.418 -3.872 -12.001 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -0.863 -3.950 -11.197 1.00 0.00 H new ATOM 281 N ILE A 19 -3.135 -0.353 -8.232 1.00 0.00 N ATOM 282 CA ILE A 19 -3.207 0.127 -6.872 1.00 0.00 C ATOM 283 C ILE A 19 -4.646 0.002 -6.379 1.00 0.00 C ATOM 284 O ILE A 19 -4.874 -0.702 -5.401 1.00 0.00 O ATOM 285 CB ILE A 19 -2.566 1.526 -6.745 1.00 0.00 C ATOM 286 CG1 ILE A 19 -1.035 1.306 -6.743 1.00 0.00 C ATOM 287 CG2 ILE A 19 -3.027 2.270 -5.479 1.00 0.00 C ATOM 288 CD1 ILE A 19 -0.175 2.571 -6.766 1.00 0.00 C ATOM 0 H ILE A 19 -2.801 0.351 -8.890 1.00 0.00 H new ATOM 0 HA ILE A 19 -2.609 -0.489 -6.200 1.00 0.00 H new ATOM 0 HB ILE A 19 -2.875 2.159 -7.577 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -0.772 0.728 -5.857 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -0.774 0.698 -7.609 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -2.548 3.248 -5.437 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -4.109 2.397 -5.505 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -2.751 1.692 -4.597 1.00 0.00 H new ATOM 0 HD11 ILE A 19 0.879 2.294 -6.762 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -0.396 3.145 -7.666 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -0.394 3.176 -5.886 1.00 0.00 H new ATOM 300 N LYS A 20 -5.626 0.626 -7.046 1.00 0.00 N ATOM 301 CA LYS A 20 -7.035 0.489 -6.665 1.00 0.00 C ATOM 302 C LYS A 20 -7.509 -0.965 -6.646 1.00 0.00 C ATOM 303 O LYS A 20 -8.336 -1.315 -5.801 1.00 0.00 O ATOM 304 CB LYS A 20 -7.935 1.331 -7.578 1.00 0.00 C ATOM 305 CG LYS A 20 -7.985 2.783 -7.084 1.00 0.00 C ATOM 306 CD LYS A 20 -8.975 3.625 -7.901 1.00 0.00 C ATOM 307 CE LYS A 20 -8.307 4.588 -8.886 1.00 0.00 C ATOM 308 NZ LYS A 20 -7.435 3.921 -9.866 1.00 0.00 N ATOM 0 H LYS A 20 -5.467 1.230 -7.852 1.00 0.00 H new ATOM 0 HA LYS A 20 -7.113 0.862 -5.644 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -7.558 1.300 -8.600 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -8.941 0.911 -7.596 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -8.273 2.800 -6.033 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -6.991 3.225 -7.150 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -9.636 2.957 -8.453 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -9.601 4.198 -7.216 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -9.079 5.143 -9.419 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -7.720 5.316 -8.327 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -6.827 4.628 -10.328 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -6.842 3.218 -9.381 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -8.019 3.445 -10.583 1.00 0.00 H new ATOM 322 N ARG A 21 -7.012 -1.816 -7.542 1.00 0.00 N ATOM 323 CA ARG A 21 -7.394 -3.222 -7.595 1.00 0.00 C ATOM 324 C ARG A 21 -6.873 -3.936 -6.352 1.00 0.00 C ATOM 325 O ARG A 21 -7.623 -4.599 -5.627 1.00 0.00 O ATOM 326 CB ARG A 21 -6.841 -3.815 -8.907 1.00 0.00 C ATOM 327 CG ARG A 21 -7.351 -5.225 -9.261 1.00 0.00 C ATOM 328 CD ARG A 21 -8.742 -5.225 -9.919 1.00 0.00 C ATOM 329 NE ARG A 21 -9.808 -4.782 -9.007 1.00 0.00 N ATOM 330 CZ ARG A 21 -10.520 -5.522 -8.154 1.00 0.00 C ATOM 331 NH1 ARG A 21 -10.390 -6.846 -8.101 1.00 0.00 N ATOM 332 NH2 ARG A 21 -11.352 -4.902 -7.329 1.00 0.00 N ATOM 0 H ARG A 21 -6.331 -1.547 -8.253 1.00 0.00 H new ATOM 0 HA ARG A 21 -8.477 -3.348 -7.596 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -7.092 -3.140 -9.725 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -5.753 -3.846 -8.842 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -6.639 -5.702 -9.934 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -7.386 -5.829 -8.354 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -8.725 -4.574 -10.793 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -8.970 -6.230 -10.275 1.00 0.00 H new ATOM 0 HE ARG A 21 -10.030 -3.787 -9.029 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -9.734 -7.319 -8.722 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -10.947 -7.387 -7.439 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -11.435 -3.886 -7.357 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -11.909 -5.441 -6.666 1.00 0.00 H new ATOM 346 N ALA A 22 -5.578 -3.779 -6.102 1.00 0.00 N ATOM 347 CA ALA A 22 -4.864 -4.319 -4.961 1.00 0.00 C ATOM 348 C ALA A 22 -5.380 -3.759 -3.634 1.00 0.00 C ATOM 349 O ALA A 22 -5.288 -4.444 -2.626 1.00 0.00 O ATOM 350 CB ALA A 22 -3.384 -4.001 -5.094 1.00 0.00 C ATOM 0 H ALA A 22 -4.971 -3.244 -6.723 1.00 0.00 H new ATOM 0 HA ALA A 22 -5.028 -5.397 -4.953 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -2.846 -4.406 -4.237 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -2.997 -4.448 -6.010 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -3.246 -2.920 -5.131 1.00 0.00 H new ATOM 356 N TYR A 23 -5.940 -2.552 -3.604 1.00 0.00 N ATOM 357 CA TYR A 23 -6.486 -1.888 -2.438 1.00 0.00 C ATOM 358 C TYR A 23 -7.489 -2.808 -1.744 1.00 0.00 C ATOM 359 O TYR A 23 -7.221 -3.313 -0.652 1.00 0.00 O ATOM 360 CB TYR A 23 -7.113 -0.581 -2.949 1.00 0.00 C ATOM 361 CG TYR A 23 -6.818 0.682 -2.207 1.00 0.00 C ATOM 362 CD1 TYR A 23 -5.527 1.231 -2.300 1.00 0.00 C ATOM 363 CD2 TYR A 23 -7.857 1.393 -1.584 1.00 0.00 C ATOM 364 CE1 TYR A 23 -5.238 2.461 -1.702 1.00 0.00 C ATOM 365 CE2 TYR A 23 -7.588 2.642 -1.014 1.00 0.00 C ATOM 366 CZ TYR A 23 -6.277 3.157 -1.054 1.00 0.00 C ATOM 367 OH TYR A 23 -6.032 4.335 -0.426 1.00 0.00 O ATOM 0 H TYR A 23 -6.027 -1.983 -4.446 1.00 0.00 H new ATOM 0 HA TYR A 23 -5.730 -1.657 -1.687 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -6.796 -0.442 -3.982 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -8.195 -0.714 -2.963 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -4.755 0.700 -2.836 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -8.854 0.979 -1.545 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -4.239 2.869 -1.736 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -8.380 3.208 -0.546 1.00 0.00 H new ATOM 0 HH TYR A 23 -5.067 4.439 -0.290 1.00 0.00 H new ATOM 377 N ARG A 24 -8.616 -3.108 -2.403 1.00 0.00 N ATOM 378 CA ARG A 24 -9.578 -4.048 -1.845 1.00 0.00 C ATOM 379 C ARG A 24 -8.996 -5.449 -1.754 1.00 0.00 C ATOM 380 O ARG A 24 -9.386 -6.170 -0.843 1.00 0.00 O ATOM 381 CB ARG A 24 -10.890 -4.080 -2.637 1.00 0.00 C ATOM 382 CG ARG A 24 -11.968 -3.184 -2.010 1.00 0.00 C ATOM 383 CD ARG A 24 -13.310 -3.611 -2.605 1.00 0.00 C ATOM 384 NE ARG A 24 -14.450 -2.835 -2.110 1.00 0.00 N ATOM 385 CZ ARG A 24 -15.309 -3.213 -1.160 1.00 0.00 C ATOM 386 NH1 ARG A 24 -14.966 -4.088 -0.216 1.00 0.00 N ATOM 387 NH2 ARG A 24 -16.536 -2.712 -1.175 1.00 0.00 N ATOM 0 H ARG A 24 -8.875 -2.717 -3.309 1.00 0.00 H new ATOM 0 HA ARG A 24 -9.803 -3.692 -0.839 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -10.702 -3.757 -3.661 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -11.257 -5.105 -2.688 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -11.976 -3.292 -0.925 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -11.768 -2.134 -2.224 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -13.262 -3.517 -3.690 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -13.476 -4.665 -2.383 1.00 0.00 H new ATOM 0 HE ARG A 24 -14.602 -1.919 -2.531 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -14.027 -4.487 -0.207 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -15.642 -4.359 0.498 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -16.808 -2.051 -1.903 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -17.208 -2.987 -0.459 1.00 0.00 H new ATOM 401 N ARG A 25 -8.081 -5.846 -2.648 1.00 0.00 N ATOM 402 CA ARG A 25 -7.446 -7.160 -2.564 1.00 0.00 C ATOM 403 C ARG A 25 -6.829 -7.319 -1.182 1.00 0.00 C ATOM 404 O ARG A 25 -7.145 -8.284 -0.489 1.00 0.00 O ATOM 405 CB ARG A 25 -6.400 -7.339 -3.673 1.00 0.00 C ATOM 406 CG ARG A 25 -5.824 -8.752 -3.823 1.00 0.00 C ATOM 407 CD ARG A 25 -6.599 -9.630 -4.815 1.00 0.00 C ATOM 408 NE ARG A 25 -5.685 -10.543 -5.520 1.00 0.00 N ATOM 409 CZ ARG A 25 -4.843 -10.201 -6.504 1.00 0.00 C ATOM 410 NH1 ARG A 25 -4.892 -8.984 -7.038 1.00 0.00 N ATOM 411 NH2 ARG A 25 -3.942 -11.077 -6.925 1.00 0.00 N ATOM 0 H ARG A 25 -7.767 -5.276 -3.433 1.00 0.00 H new ATOM 0 HA ARG A 25 -8.195 -7.938 -2.711 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -6.850 -7.048 -4.622 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -5.577 -6.649 -3.485 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -4.786 -8.679 -4.149 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -5.819 -9.238 -2.848 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -7.358 -10.204 -4.285 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -7.121 -9.001 -5.536 1.00 0.00 H new ATOM 0 HE ARG A 25 -5.693 -11.522 -5.234 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -5.573 -8.305 -6.698 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -4.248 -8.729 -7.787 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -3.894 -12.003 -6.500 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -3.297 -10.825 -7.674 1.00 0.00 H new ATOM 425 N GLN A 26 -5.969 -6.388 -0.779 1.00 0.00 N ATOM 426 CA GLN A 26 -5.226 -6.424 0.443 1.00 0.00 C ATOM 427 C GLN A 26 -6.128 -6.152 1.644 1.00 0.00 C ATOM 428 O GLN A 26 -6.003 -6.852 2.645 1.00 0.00 O ATOM 429 CB GLN A 26 -4.103 -5.389 0.317 1.00 0.00 C ATOM 430 CG GLN A 26 -2.921 -5.788 1.187 1.00 0.00 C ATOM 431 CD GLN A 26 -2.026 -6.880 0.594 1.00 0.00 C ATOM 432 OE1 GLN A 26 -2.474 -7.802 -0.085 1.00 0.00 O ATOM 433 NE2 GLN A 26 -0.742 -6.862 0.899 1.00 0.00 N ATOM 0 H GLN A 26 -5.773 -5.555 -1.334 1.00 0.00 H new ATOM 0 HA GLN A 26 -4.801 -7.413 0.611 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -3.788 -5.309 -0.723 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -4.469 -4.407 0.616 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -2.313 -4.903 1.377 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -3.297 -6.130 2.151 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -0.362 -6.101 1.462 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -0.130 -7.609 0.572 1.00 0.00 H new ATOM 442 N ALA A 27 -7.052 -5.188 1.560 1.00 0.00 N ATOM 443 CA ALA A 27 -8.005 -4.942 2.636 1.00 0.00 C ATOM 444 C ALA A 27 -8.771 -6.231 2.944 1.00 0.00 C ATOM 445 O ALA A 27 -8.827 -6.655 4.098 1.00 0.00 O ATOM 446 CB ALA A 27 -8.953 -3.798 2.269 1.00 0.00 C ATOM 0 H ALA A 27 -7.156 -4.568 0.756 1.00 0.00 H new ATOM 0 HA ALA A 27 -7.466 -4.638 3.533 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -9.655 -3.631 3.086 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -8.377 -2.889 2.095 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -9.503 -4.057 1.364 1.00 0.00 H new ATOM 452 N LEU A 28 -9.294 -6.898 1.909 1.00 0.00 N ATOM 453 CA LEU A 28 -9.944 -8.192 2.039 1.00 0.00 C ATOM 454 C LEU A 28 -8.983 -9.246 2.579 1.00 0.00 C ATOM 455 O LEU A 28 -9.378 -10.039 3.429 1.00 0.00 O ATOM 456 CB LEU A 28 -10.565 -8.630 0.704 1.00 0.00 C ATOM 457 CG LEU A 28 -11.355 -9.948 0.816 1.00 0.00 C ATOM 458 CD1 LEU A 28 -12.570 -9.812 1.741 1.00 0.00 C ATOM 459 CD2 LEU A 28 -11.832 -10.395 -0.563 1.00 0.00 C ATOM 0 H LEU A 28 -9.274 -6.545 0.952 1.00 0.00 H new ATOM 0 HA LEU A 28 -10.751 -8.089 2.764 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -11.228 -7.844 0.342 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -9.775 -8.747 -0.038 1.00 0.00 H new ATOM 0 HG LEU A 28 -10.680 -10.690 1.241 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -13.098 -10.764 1.791 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -12.237 -9.529 2.740 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -13.240 -9.046 1.351 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -12.389 -11.327 -0.471 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -12.477 -9.628 -0.991 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -10.971 -10.549 -1.213 1.00 0.00 H new ATOM 471 N ARG A 29 -7.731 -9.272 2.116 1.00 0.00 N ATOM 472 CA ARG A 29 -6.755 -10.291 2.469 1.00 0.00 C ATOM 473 C ARG A 29 -6.575 -10.417 3.981 1.00 0.00 C ATOM 474 O ARG A 29 -6.404 -11.538 4.439 1.00 0.00 O ATOM 475 CB ARG A 29 -5.440 -10.034 1.722 1.00 0.00 C ATOM 476 CG ARG A 29 -4.468 -11.211 1.813 1.00 0.00 C ATOM 477 CD ARG A 29 -3.287 -10.945 0.876 1.00 0.00 C ATOM 478 NE ARG A 29 -2.435 -12.130 0.714 1.00 0.00 N ATOM 479 CZ ARG A 29 -2.016 -12.645 -0.448 1.00 0.00 C ATOM 480 NH1 ARG A 29 -2.318 -12.070 -1.608 1.00 0.00 N ATOM 481 NH2 ARG A 29 -1.286 -13.752 -0.443 1.00 0.00 N ATOM 0 H ARG A 29 -7.366 -8.569 1.473 1.00 0.00 H new ATOM 0 HA ARG A 29 -7.131 -11.262 2.148 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -5.657 -9.828 0.674 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -4.964 -9.143 2.130 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -4.117 -11.333 2.838 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -4.970 -12.138 1.535 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -3.661 -10.632 -0.099 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -2.691 -10.121 1.269 1.00 0.00 H new ATOM 0 HE ARG A 29 -2.135 -12.604 1.566 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -2.880 -11.219 -1.624 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -1.988 -12.480 -2.482 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -1.049 -14.203 0.441 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -0.962 -14.153 -1.323 1.00 0.00 H new ATOM 495 N TYR A 30 -6.667 -9.326 4.747 1.00 0.00 N ATOM 496 CA TYR A 30 -6.408 -9.288 6.188 1.00 0.00 C ATOM 497 C TYR A 30 -7.636 -8.842 7.006 1.00 0.00 C ATOM 498 O TYR A 30 -7.557 -8.803 8.239 1.00 0.00 O ATOM 499 CB TYR A 30 -5.175 -8.408 6.465 1.00 0.00 C ATOM 500 CG TYR A 30 -3.882 -8.856 5.794 1.00 0.00 C ATOM 501 CD1 TYR A 30 -3.676 -8.558 4.438 1.00 0.00 C ATOM 502 CD2 TYR A 30 -2.851 -9.489 6.517 1.00 0.00 C ATOM 503 CE1 TYR A 30 -2.457 -8.828 3.802 1.00 0.00 C ATOM 504 CE2 TYR A 30 -1.619 -9.767 5.892 1.00 0.00 C ATOM 505 CZ TYR A 30 -1.412 -9.417 4.537 1.00 0.00 C ATOM 506 OH TYR A 30 -0.199 -9.604 3.953 1.00 0.00 O ATOM 0 H TYR A 30 -6.932 -8.417 4.369 1.00 0.00 H new ATOM 0 HA TYR A 30 -6.198 -10.304 6.521 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -5.397 -7.391 6.142 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -5.011 -8.372 7.542 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -4.478 -8.109 3.870 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -3.005 -9.761 7.551 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -2.321 -8.586 2.758 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -0.830 -10.249 6.450 1.00 0.00 H new ATOM 0 HH TYR A 30 0.413 -10.021 4.595 1.00 0.00 H new ATOM 516 N HIS A 31 -8.764 -8.541 6.346 1.00 0.00 N ATOM 517 CA HIS A 31 -10.028 -8.064 6.925 1.00 0.00 C ATOM 518 C HIS A 31 -10.372 -8.995 8.100 1.00 0.00 C ATOM 519 O HIS A 31 -10.314 -10.215 7.911 1.00 0.00 O ATOM 520 CB HIS A 31 -11.133 -8.149 5.839 1.00 0.00 C ATOM 521 CG HIS A 31 -12.067 -6.974 5.620 1.00 0.00 C ATOM 522 ND1 HIS A 31 -12.587 -6.069 6.525 1.00 0.00 N ATOM 523 CD2 HIS A 31 -12.602 -6.656 4.399 1.00 0.00 C ATOM 524 CE1 HIS A 31 -13.392 -5.229 5.855 1.00 0.00 C ATOM 525 NE2 HIS A 31 -13.432 -5.545 4.549 1.00 0.00 N ATOM 0 H HIS A 31 -8.821 -8.630 5.331 1.00 0.00 H new ATOM 0 HA HIS A 31 -9.949 -7.033 7.270 1.00 0.00 H new ATOM 0 HB2 HIS A 31 -10.640 -8.354 4.889 1.00 0.00 H new ATOM 0 HB3 HIS A 31 -11.751 -9.017 6.071 1.00 0.00 H new ATOM 0 HD2 HIS A 31 -12.412 -7.179 3.473 1.00 0.00 H new ATOM 0 HE1 HIS A 31 -13.934 -4.410 6.304 1.00 0.00 H new ATOM 0 HE2 HIS A 31 -13.961 -5.070 3.818 1.00 0.00 H new ATOM 533 N PRO A 32 -10.773 -8.481 9.277 1.00 0.00 N ATOM 534 CA PRO A 32 -11.095 -9.305 10.440 1.00 0.00 C ATOM 535 C PRO A 32 -12.275 -10.238 10.179 1.00 0.00 C ATOM 536 O PRO A 32 -12.398 -11.267 10.842 1.00 0.00 O ATOM 537 CB PRO A 32 -11.377 -8.334 11.588 1.00 0.00 C ATOM 538 CG PRO A 32 -11.764 -7.042 10.883 1.00 0.00 C ATOM 539 CD PRO A 32 -10.965 -7.080 9.586 1.00 0.00 C ATOM 0 HA PRO A 32 -10.264 -9.967 10.684 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -12.180 -8.696 12.230 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -10.500 -8.197 12.221 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -12.836 -6.997 10.691 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -11.511 -6.168 11.483 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -11.500 -6.573 8.783 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -10.008 -6.571 9.702 1.00 0.00 H new ATOM 547 N ASP A 33 -13.107 -9.938 9.179 1.00 0.00 N ATOM 548 CA ASP A 33 -14.204 -10.820 8.816 1.00 0.00 C ATOM 549 C ASP A 33 -13.718 -11.937 7.887 1.00 0.00 C ATOM 550 O ASP A 33 -14.205 -13.063 7.977 1.00 0.00 O ATOM 551 CB ASP A 33 -15.320 -10.032 8.124 1.00 0.00 C ATOM 552 CG ASP A 33 -16.391 -10.991 7.603 1.00 0.00 C ATOM 553 OD1 ASP A 33 -17.042 -11.679 8.429 1.00 0.00 O ATOM 554 OD2 ASP A 33 -16.504 -11.135 6.371 1.00 0.00 O ATOM 0 H ASP A 33 -13.038 -9.093 8.612 1.00 0.00 H new ATOM 0 HA ASP A 33 -14.593 -11.264 9.732 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -15.764 -9.323 8.823 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -14.908 -9.450 7.299 1.00 0.00 H new ATOM 559 N LYS A 34 -12.753 -11.665 7.008 1.00 0.00 N ATOM 560 CA LYS A 34 -12.324 -12.635 6.005 1.00 0.00 C ATOM 561 C LYS A 34 -11.296 -13.567 6.621 1.00 0.00 C ATOM 562 O LYS A 34 -11.445 -14.781 6.483 1.00 0.00 O ATOM 563 CB LYS A 34 -11.812 -11.916 4.747 1.00 0.00 C ATOM 564 CG LYS A 34 -11.038 -12.794 3.740 1.00 0.00 C ATOM 565 CD LYS A 34 -9.566 -13.085 4.097 1.00 0.00 C ATOM 566 CE LYS A 34 -8.677 -13.123 2.854 1.00 0.00 C ATOM 567 NZ LYS A 34 -8.716 -14.407 2.138 1.00 0.00 N ATOM 0 H LYS A 34 -12.253 -10.777 6.972 1.00 0.00 H new ATOM 0 HA LYS A 34 -13.167 -13.245 5.682 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -12.664 -11.472 4.233 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -11.165 -11.096 5.058 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -11.562 -13.744 3.637 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -11.066 -12.307 2.765 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -9.200 -12.320 4.782 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -9.501 -14.039 4.620 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -8.984 -12.328 2.174 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -7.649 -12.912 3.147 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -8.091 -14.361 1.308 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -8.395 -15.167 2.771 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -9.689 -14.602 1.828 1.00 0.00 H new ATOM 581 N ASN A 35 -10.222 -13.022 7.209 1.00 0.00 N ATOM 582 CA ASN A 35 -9.085 -13.837 7.626 1.00 0.00 C ATOM 583 C ASN A 35 -9.509 -14.513 8.913 1.00 0.00 C ATOM 584 O ASN A 35 -9.828 -15.695 8.857 1.00 0.00 O ATOM 585 CB ASN A 35 -7.770 -13.029 7.758 1.00 0.00 C ATOM 586 CG ASN A 35 -6.646 -13.494 6.837 1.00 0.00 C ATOM 587 OD1 ASN A 35 -6.758 -14.479 6.106 1.00 0.00 O ATOM 588 ND2 ASN A 35 -5.521 -12.805 6.866 1.00 0.00 N ATOM 0 H ASN A 35 -10.122 -12.026 7.403 1.00 0.00 H new ATOM 0 HA ASN A 35 -8.839 -14.579 6.866 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -7.981 -11.980 7.552 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -7.425 -13.088 8.790 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -4.735 -13.087 6.280 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -5.437 -11.991 7.474 1.00 0.00 H new ATOM 595 N LYS A 36 -9.594 -13.721 9.995 1.00 0.00 N ATOM 596 CA LYS A 36 -9.956 -13.890 11.398 1.00 0.00 C ATOM 597 C LYS A 36 -8.683 -14.012 12.258 1.00 0.00 C ATOM 598 O LYS A 36 -8.728 -14.493 13.392 1.00 0.00 O ATOM 599 CB LYS A 36 -10.873 -15.080 11.566 1.00 0.00 C ATOM 600 CG LYS A 36 -12.245 -14.926 10.877 1.00 0.00 C ATOM 601 CD LYS A 36 -13.070 -16.222 10.911 1.00 0.00 C ATOM 602 CE LYS A 36 -12.430 -17.415 10.182 1.00 0.00 C ATOM 603 NZ LYS A 36 -12.221 -17.182 8.737 1.00 0.00 N ATOM 0 H LYS A 36 -9.355 -12.739 9.857 1.00 0.00 H new ATOM 0 HA LYS A 36 -10.503 -13.012 11.740 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -10.377 -15.965 11.168 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -11.031 -15.255 12.630 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -12.806 -14.129 11.366 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -12.096 -14.621 9.841 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -13.241 -16.500 11.951 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -14.047 -16.026 10.469 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -11.471 -17.643 10.647 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -13.064 -18.292 10.312 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -12.132 -18.095 8.247 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -13.032 -16.659 8.349 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -11.352 -16.628 8.597 1.00 0.00 H new ATOM 617 N GLU A 37 -7.526 -13.635 11.711 1.00 0.00 N ATOM 618 CA GLU A 37 -6.248 -13.606 12.387 1.00 0.00 C ATOM 619 C GLU A 37 -6.283 -12.466 13.418 1.00 0.00 C ATOM 620 O GLU A 37 -6.401 -11.308 13.012 1.00 0.00 O ATOM 621 CB GLU A 37 -5.169 -13.365 11.320 1.00 0.00 C ATOM 622 CG GLU A 37 -3.760 -13.408 11.918 1.00 0.00 C ATOM 623 CD GLU A 37 -2.693 -12.679 11.091 1.00 0.00 C ATOM 624 OE1 GLU A 37 -2.769 -12.646 9.841 1.00 0.00 O ATOM 625 OE2 GLU A 37 -1.764 -12.110 11.709 1.00 0.00 O ATOM 0 H GLU A 37 -7.462 -13.329 10.740 1.00 0.00 H new ATOM 0 HA GLU A 37 -6.031 -14.538 12.909 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -5.256 -14.120 10.538 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -5.334 -12.397 10.848 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -3.789 -12.970 12.916 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -3.461 -14.450 12.036 1.00 0.00 H new ATOM 632 N PRO A 38 -6.142 -12.706 14.734 1.00 0.00 N ATOM 633 CA PRO A 38 -6.175 -11.617 15.717 1.00 0.00 C ATOM 634 C PRO A 38 -4.973 -10.675 15.697 1.00 0.00 C ATOM 635 O PRO A 38 -4.979 -9.561 16.223 1.00 0.00 O ATOM 636 CB PRO A 38 -6.354 -12.306 17.063 1.00 0.00 C ATOM 637 CG PRO A 38 -5.688 -13.662 16.857 1.00 0.00 C ATOM 638 CD PRO A 38 -5.995 -13.992 15.396 1.00 0.00 C ATOM 0 HA PRO A 38 -6.992 -10.935 15.480 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -5.881 -11.744 17.868 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -7.407 -12.411 17.324 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -4.615 -13.614 17.041 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -6.094 -14.415 17.532 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -5.191 -14.575 14.947 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -6.906 -14.585 15.310 1.00 0.00 H new ATOM 646 N GLY A 39 -3.973 -11.146 14.992 1.00 0.00 N ATOM 647 CA GLY A 39 -2.717 -10.485 14.676 1.00 0.00 C ATOM 648 C GLY A 39 -2.811 -9.625 13.420 1.00 0.00 C ATOM 649 O GLY A 39 -2.054 -8.659 13.289 1.00 0.00 O ATOM 0 H GLY A 39 -4.015 -12.081 14.587 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -2.416 -9.862 15.518 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -1.939 -11.236 14.541 1.00 0.00 H new ATOM 653 N ALA A 40 -3.769 -9.894 12.526 1.00 0.00 N ATOM 654 CA ALA A 40 -3.970 -9.080 11.337 1.00 0.00 C ATOM 655 C ALA A 40 -4.458 -7.679 11.699 1.00 0.00 C ATOM 656 O ALA A 40 -4.394 -6.809 10.841 1.00 0.00 O ATOM 657 CB ALA A 40 -4.946 -9.753 10.376 1.00 0.00 C ATOM 0 H ALA A 40 -4.418 -10.676 12.611 1.00 0.00 H new ATOM 0 HA ALA A 40 -3.006 -8.982 10.838 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -5.080 -9.125 9.495 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -4.549 -10.722 10.074 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -5.907 -9.893 10.872 1.00 0.00 H new ATOM 663 N GLU A 41 -4.872 -7.433 12.947 1.00 0.00 N ATOM 664 CA GLU A 41 -5.152 -6.099 13.468 1.00 0.00 C ATOM 665 C GLU A 41 -3.980 -5.161 13.156 1.00 0.00 C ATOM 666 O GLU A 41 -4.181 -4.056 12.658 1.00 0.00 O ATOM 667 CB GLU A 41 -5.409 -6.215 14.983 1.00 0.00 C ATOM 668 CG GLU A 41 -5.624 -4.880 15.720 1.00 0.00 C ATOM 669 CD GLU A 41 -6.813 -4.085 15.182 1.00 0.00 C ATOM 670 OE1 GLU A 41 -7.929 -4.645 15.102 1.00 0.00 O ATOM 671 OE2 GLU A 41 -6.631 -2.911 14.787 1.00 0.00 O ATOM 0 H GLU A 41 -5.023 -8.173 13.633 1.00 0.00 H new ATOM 0 HA GLU A 41 -6.037 -5.675 12.994 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -6.287 -6.842 15.139 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -4.564 -6.731 15.439 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -5.777 -5.078 16.781 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -4.721 -4.275 15.635 1.00 0.00 H new ATOM 678 N GLU A 42 -2.752 -5.624 13.399 1.00 0.00 N ATOM 679 CA GLU A 42 -1.545 -4.843 13.163 1.00 0.00 C ATOM 680 C GLU A 42 -1.240 -4.750 11.670 1.00 0.00 C ATOM 681 O GLU A 42 -1.007 -3.665 11.138 1.00 0.00 O ATOM 682 CB GLU A 42 -0.395 -5.467 13.965 1.00 0.00 C ATOM 683 CG GLU A 42 0.913 -4.681 13.831 1.00 0.00 C ATOM 684 CD GLU A 42 1.860 -4.985 14.991 1.00 0.00 C ATOM 685 OE1 GLU A 42 2.577 -6.016 14.966 1.00 0.00 O ATOM 686 OE2 GLU A 42 1.865 -4.183 15.954 1.00 0.00 O ATOM 0 H GLU A 42 -2.570 -6.558 13.767 1.00 0.00 H new ATOM 0 HA GLU A 42 -1.685 -3.817 13.504 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -0.677 -5.519 15.017 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -0.235 -6.491 13.627 1.00 0.00 H new ATOM 0 HG2 GLU A 42 1.397 -4.933 12.887 1.00 0.00 H new ATOM 0 HG3 GLU A 42 0.698 -3.613 13.804 1.00 0.00 H new ATOM 693 N LYS A 43 -1.316 -5.873 10.959 1.00 0.00 N ATOM 694 CA LYS A 43 -0.999 -5.921 9.547 1.00 0.00 C ATOM 695 C LYS A 43 -1.973 -5.075 8.724 1.00 0.00 C ATOM 696 O LYS A 43 -1.590 -4.547 7.686 1.00 0.00 O ATOM 697 CB LYS A 43 -0.954 -7.385 9.079 1.00 0.00 C ATOM 698 CG LYS A 43 0.458 -7.900 8.752 1.00 0.00 C ATOM 699 CD LYS A 43 1.309 -7.110 7.745 1.00 0.00 C ATOM 700 CE LYS A 43 0.861 -7.259 6.285 1.00 0.00 C ATOM 701 NZ LYS A 43 1.918 -6.786 5.362 1.00 0.00 N ATOM 0 H LYS A 43 -1.600 -6.771 11.352 1.00 0.00 H new ATOM 0 HA LYS A 43 -0.013 -5.484 9.388 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -1.388 -8.016 9.855 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -1.581 -7.491 8.194 1.00 0.00 H new ATOM 0 HG2 LYS A 43 1.016 -7.955 9.687 1.00 0.00 H new ATOM 0 HG3 LYS A 43 0.361 -8.919 8.378 1.00 0.00 H new ATOM 0 HD2 LYS A 43 1.283 -6.054 8.015 1.00 0.00 H new ATOM 0 HD3 LYS A 43 2.346 -7.435 7.830 1.00 0.00 H new ATOM 0 HE2 LYS A 43 0.629 -8.303 6.075 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -0.054 -6.690 6.120 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 1.489 -6.509 4.456 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 2.403 -5.967 5.780 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 2.605 -7.550 5.201 1.00 0.00 H new ATOM 715 N PHE A 44 -3.218 -4.931 9.167 1.00 0.00 N ATOM 716 CA PHE A 44 -4.234 -4.104 8.539 1.00 0.00 C ATOM 717 C PHE A 44 -3.827 -2.636 8.671 1.00 0.00 C ATOM 718 O PHE A 44 -3.928 -1.889 7.704 1.00 0.00 O ATOM 719 CB PHE A 44 -5.595 -4.421 9.155 1.00 0.00 C ATOM 720 CG PHE A 44 -6.803 -3.766 8.501 1.00 0.00 C ATOM 721 CD1 PHE A 44 -7.461 -4.442 7.452 1.00 0.00 C ATOM 722 CD2 PHE A 44 -7.324 -2.545 8.976 1.00 0.00 C ATOM 723 CE1 PHE A 44 -8.640 -3.918 6.893 1.00 0.00 C ATOM 724 CE2 PHE A 44 -8.509 -2.029 8.424 1.00 0.00 C ATOM 725 CZ PHE A 44 -9.170 -2.715 7.390 1.00 0.00 C ATOM 0 H PHE A 44 -3.556 -5.406 10.004 1.00 0.00 H new ATOM 0 HA PHE A 44 -4.320 -4.316 7.473 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -5.737 -5.501 9.131 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -5.572 -4.126 10.204 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -7.056 -5.370 7.075 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -6.814 -2.008 9.762 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -9.136 -4.437 6.086 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -8.914 -1.100 8.796 1.00 0.00 H new ATOM 0 HZ PHE A 44 -10.085 -2.317 6.977 1.00 0.00 H new ATOM 735 N LYS A 45 -3.351 -2.207 9.846 1.00 0.00 N ATOM 736 CA LYS A 45 -2.773 -0.869 10.037 1.00 0.00 C ATOM 737 C LYS A 45 -1.545 -0.637 9.159 1.00 0.00 C ATOM 738 O LYS A 45 -1.327 0.484 8.698 1.00 0.00 O ATOM 739 CB LYS A 45 -2.381 -0.620 11.497 1.00 0.00 C ATOM 740 CG LYS A 45 -3.578 -0.714 12.444 1.00 0.00 C ATOM 741 CD LYS A 45 -3.088 -0.680 13.890 1.00 0.00 C ATOM 742 CE LYS A 45 -4.238 -1.045 14.822 1.00 0.00 C ATOM 743 NZ LYS A 45 -3.856 -0.903 16.237 1.00 0.00 N ATOM 0 H LYS A 45 -3.355 -2.777 10.692 1.00 0.00 H new ATOM 0 HA LYS A 45 -3.556 -0.169 9.745 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -1.626 -1.346 11.797 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -1.927 0.367 11.586 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -4.265 0.113 12.262 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -4.131 -1.635 12.258 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -2.262 -1.379 14.022 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -2.708 0.312 14.134 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -5.095 -0.406 14.610 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -4.550 -2.072 14.630 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -4.662 -1.160 16.842 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -3.054 -1.531 16.445 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -3.582 0.082 16.425 1.00 0.00 H new ATOM 757 N GLU A 46 -0.791 -1.685 8.831 1.00 0.00 N ATOM 758 CA GLU A 46 0.390 -1.579 8.004 1.00 0.00 C ATOM 759 C GLU A 46 -0.086 -1.345 6.575 1.00 0.00 C ATOM 760 O GLU A 46 0.403 -0.432 5.907 1.00 0.00 O ATOM 761 CB GLU A 46 1.139 -2.918 8.122 1.00 0.00 C ATOM 762 CG GLU A 46 2.648 -2.767 7.987 1.00 0.00 C ATOM 763 CD GLU A 46 3.194 -3.240 6.638 1.00 0.00 C ATOM 764 OE1 GLU A 46 3.032 -4.443 6.310 1.00 0.00 O ATOM 765 OE2 GLU A 46 3.809 -2.449 5.890 1.00 0.00 O ATOM 0 H GLU A 46 -0.992 -2.636 9.139 1.00 0.00 H new ATOM 0 HA GLU A 46 1.052 -0.765 8.301 1.00 0.00 H new ATOM 0 HB2 GLU A 46 0.909 -3.373 9.085 1.00 0.00 H new ATOM 0 HB3 GLU A 46 0.777 -3.600 7.353 1.00 0.00 H new ATOM 0 HG2 GLU A 46 2.914 -1.720 8.130 1.00 0.00 H new ATOM 0 HG3 GLU A 46 3.134 -3.331 8.784 1.00 0.00 H new ATOM 772 N ILE A 47 -1.112 -2.087 6.153 1.00 0.00 N ATOM 773 CA ILE A 47 -1.805 -1.835 4.900 1.00 0.00 C ATOM 774 C ILE A 47 -2.338 -0.411 4.902 1.00 0.00 C ATOM 775 O ILE A 47 -2.112 0.257 3.912 1.00 0.00 O ATOM 776 CB ILE A 47 -2.887 -2.878 4.599 1.00 0.00 C ATOM 777 CG1 ILE A 47 -2.232 -4.264 4.498 1.00 0.00 C ATOM 778 CG2 ILE A 47 -3.595 -2.596 3.254 1.00 0.00 C ATOM 779 CD1 ILE A 47 -3.260 -5.350 4.744 1.00 0.00 C ATOM 0 H ILE A 47 -1.482 -2.880 6.676 1.00 0.00 H new ATOM 0 HA ILE A 47 -1.093 -1.937 4.081 1.00 0.00 H new ATOM 0 HB ILE A 47 -3.621 -2.835 5.404 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -1.786 -4.392 3.512 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -1.425 -4.346 5.226 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -4.355 -3.357 3.076 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -4.066 -1.614 3.290 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -2.864 -2.618 2.446 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -2.782 -6.327 4.669 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -3.686 -5.229 5.740 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -4.053 -5.276 4.000 1.00 0.00 H new ATOM 791 N ALA A 48 -3.017 0.066 5.952 1.00 0.00 N ATOM 792 CA ALA A 48 -3.644 1.386 6.015 1.00 0.00 C ATOM 793 C ALA A 48 -2.630 2.506 5.788 1.00 0.00 C ATOM 794 O ALA A 48 -2.954 3.521 5.172 1.00 0.00 O ATOM 795 CB ALA A 48 -4.359 1.568 7.358 1.00 0.00 C ATOM 0 H ALA A 48 -3.148 -0.475 6.807 1.00 0.00 H new ATOM 0 HA ALA A 48 -4.378 1.445 5.212 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -4.822 2.554 7.393 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -5.127 0.803 7.468 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -3.637 1.477 8.170 1.00 0.00 H new ATOM 801 N GLU A 49 -1.405 2.329 6.273 1.00 0.00 N ATOM 802 CA GLU A 49 -0.329 3.299 6.095 1.00 0.00 C ATOM 803 C GLU A 49 0.116 3.329 4.631 1.00 0.00 C ATOM 804 O GLU A 49 0.283 4.397 4.041 1.00 0.00 O ATOM 805 CB GLU A 49 0.814 2.931 7.042 1.00 0.00 C ATOM 806 CG GLU A 49 1.841 4.061 7.162 1.00 0.00 C ATOM 807 CD GLU A 49 2.983 3.686 8.105 1.00 0.00 C ATOM 808 OE1 GLU A 49 2.727 3.087 9.178 1.00 0.00 O ATOM 809 OE2 GLU A 49 4.141 4.068 7.827 1.00 0.00 O ATOM 0 H GLU A 49 -1.129 1.503 6.804 1.00 0.00 H new ATOM 0 HA GLU A 49 -0.671 4.305 6.340 1.00 0.00 H new ATOM 0 HB2 GLU A 49 0.409 2.702 8.028 1.00 0.00 H new ATOM 0 HB3 GLU A 49 1.308 2.028 6.682 1.00 0.00 H new ATOM 0 HG2 GLU A 49 2.244 4.293 6.176 1.00 0.00 H new ATOM 0 HG3 GLU A 49 1.349 4.963 7.526 1.00 0.00 H new ATOM 816 N ALA A 50 0.192 2.153 4.002 1.00 0.00 N ATOM 817 CA ALA A 50 0.530 2.065 2.594 1.00 0.00 C ATOM 818 C ALA A 50 -0.649 2.525 1.744 1.00 0.00 C ATOM 819 O ALA A 50 -0.435 3.086 0.680 1.00 0.00 O ATOM 820 CB ALA A 50 0.842 0.611 2.233 1.00 0.00 C ATOM 0 H ALA A 50 0.023 1.254 4.452 1.00 0.00 H new ATOM 0 HA ALA A 50 1.396 2.699 2.403 1.00 0.00 H new ATOM 0 HB1 ALA A 50 1.096 0.545 1.175 1.00 0.00 H new ATOM 0 HB2 ALA A 50 1.683 0.260 2.831 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -0.031 -0.010 2.436 1.00 0.00 H new ATOM 826 N TYR A 51 -1.878 2.318 2.207 1.00 0.00 N ATOM 827 CA TYR A 51 -3.134 2.617 1.537 1.00 0.00 C ATOM 828 C TYR A 51 -3.113 4.112 1.250 1.00 0.00 C ATOM 829 O TYR A 51 -3.350 4.537 0.122 1.00 0.00 O ATOM 830 CB TYR A 51 -4.270 2.252 2.509 1.00 0.00 C ATOM 831 CG TYR A 51 -5.541 1.658 1.968 1.00 0.00 C ATOM 832 CD1 TYR A 51 -5.494 0.357 1.434 1.00 0.00 C ATOM 833 CD2 TYR A 51 -6.778 2.253 2.250 1.00 0.00 C ATOM 834 CE1 TYR A 51 -6.678 -0.351 1.171 1.00 0.00 C ATOM 835 CE2 TYR A 51 -7.966 1.555 1.986 1.00 0.00 C ATOM 836 CZ TYR A 51 -7.925 0.247 1.448 1.00 0.00 C ATOM 837 OH TYR A 51 -9.081 -0.425 1.196 1.00 0.00 O ATOM 0 H TYR A 51 -2.030 1.907 3.128 1.00 0.00 H new ATOM 0 HA TYR A 51 -3.277 2.063 0.609 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -3.865 1.550 3.237 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -4.538 3.157 3.054 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -4.539 -0.101 1.224 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -6.817 3.247 2.670 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -6.634 -1.348 0.759 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -8.918 2.019 2.195 1.00 0.00 H new ATOM 0 HH TYR A 51 -9.846 0.134 1.447 1.00 0.00 H new ATOM 847 N ASP A 52 -2.778 4.891 2.277 1.00 0.00 N ATOM 848 CA ASP A 52 -2.632 6.331 2.252 1.00 0.00 C ATOM 849 C ASP A 52 -1.514 6.752 1.293 1.00 0.00 C ATOM 850 O ASP A 52 -1.782 7.437 0.311 1.00 0.00 O ATOM 851 CB ASP A 52 -2.385 6.799 3.688 1.00 0.00 C ATOM 852 CG ASP A 52 -2.457 8.314 3.800 1.00 0.00 C ATOM 853 OD1 ASP A 52 -3.575 8.869 3.723 1.00 0.00 O ATOM 854 OD2 ASP A 52 -1.423 8.967 4.060 1.00 0.00 O ATOM 0 H ASP A 52 -2.592 4.502 3.201 1.00 0.00 H new ATOM 0 HA ASP A 52 -3.538 6.806 1.874 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -3.124 6.348 4.351 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -1.406 6.455 4.021 1.00 0.00 H new ATOM 859 N VAL A 53 -0.277 6.285 1.495 1.00 0.00 N ATOM 860 CA VAL A 53 0.883 6.739 0.717 1.00 0.00 C ATOM 861 C VAL A 53 0.737 6.365 -0.766 1.00 0.00 C ATOM 862 O VAL A 53 0.953 7.195 -1.647 1.00 0.00 O ATOM 863 CB VAL A 53 2.164 6.132 1.338 1.00 0.00 C ATOM 864 CG1 VAL A 53 3.409 6.306 0.450 1.00 0.00 C ATOM 865 CG2 VAL A 53 2.469 6.758 2.707 1.00 0.00 C ATOM 0 H VAL A 53 -0.051 5.584 2.200 1.00 0.00 H new ATOM 0 HA VAL A 53 0.949 7.826 0.756 1.00 0.00 H new ATOM 0 HB VAL A 53 1.954 5.067 1.439 1.00 0.00 H new ATOM 0 HG11 VAL A 53 4.273 5.859 0.943 1.00 0.00 H new ATOM 0 HG12 VAL A 53 3.244 5.815 -0.509 1.00 0.00 H new ATOM 0 HG13 VAL A 53 3.594 7.368 0.287 1.00 0.00 H new ATOM 0 HG21 VAL A 53 3.374 6.311 3.118 1.00 0.00 H new ATOM 0 HG22 VAL A 53 2.614 7.832 2.592 1.00 0.00 H new ATOM 0 HG23 VAL A 53 1.635 6.576 3.384 1.00 0.00 H new ATOM 875 N LEU A 54 0.380 5.121 -1.060 1.00 0.00 N ATOM 876 CA LEU A 54 0.216 4.542 -2.388 1.00 0.00 C ATOM 877 C LEU A 54 -1.017 5.099 -3.102 1.00 0.00 C ATOM 878 O LEU A 54 -1.157 4.845 -4.291 1.00 0.00 O ATOM 879 CB LEU A 54 0.212 3.021 -2.170 1.00 0.00 C ATOM 880 CG LEU A 54 0.513 2.109 -3.359 1.00 0.00 C ATOM 881 CD1 LEU A 54 1.783 2.513 -4.109 1.00 0.00 C ATOM 882 CD2 LEU A 54 0.775 0.699 -2.827 1.00 0.00 C ATOM 0 H LEU A 54 0.184 4.442 -0.325 1.00 0.00 H new ATOM 0 HA LEU A 54 1.025 4.808 -3.069 1.00 0.00 H new ATOM 0 HB2 LEU A 54 0.939 2.797 -1.389 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -0.768 2.745 -1.782 1.00 0.00 H new ATOM 0 HG LEU A 54 -0.341 2.174 -4.033 1.00 0.00 H new ATOM 0 HD11 LEU A 54 1.946 1.830 -4.943 1.00 0.00 H new ATOM 0 HD12 LEU A 54 1.674 3.529 -4.488 1.00 0.00 H new ATOM 0 HD13 LEU A 54 2.636 2.468 -3.431 1.00 0.00 H new ATOM 0 HD21 LEU A 54 0.992 0.030 -3.660 1.00 0.00 H new ATOM 0 HD22 LEU A 54 1.626 0.719 -2.146 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -0.107 0.341 -2.295 1.00 0.00 H new ATOM 894 N SER A 55 -1.860 5.908 -2.450 1.00 0.00 N ATOM 895 CA SER A 55 -2.955 6.616 -3.109 1.00 0.00 C ATOM 896 C SER A 55 -2.755 8.134 -3.137 1.00 0.00 C ATOM 897 O SER A 55 -3.552 8.821 -3.780 1.00 0.00 O ATOM 898 CB SER A 55 -4.279 6.249 -2.449 1.00 0.00 C ATOM 899 OG SER A 55 -4.292 6.655 -1.095 1.00 0.00 O ATOM 0 H SER A 55 -1.799 6.088 -1.448 1.00 0.00 H new ATOM 0 HA SER A 55 -2.969 6.296 -4.151 1.00 0.00 H new ATOM 0 HB2 SER A 55 -5.102 6.724 -2.984 1.00 0.00 H new ATOM 0 HB3 SER A 55 -4.437 5.172 -2.512 1.00 0.00 H new ATOM 0 HG SER A 55 -3.743 6.041 -0.564 1.00 0.00 H new ATOM 905 N ASP A 56 -1.716 8.663 -2.487 1.00 0.00 N ATOM 906 CA ASP A 56 -1.350 10.072 -2.541 1.00 0.00 C ATOM 907 C ASP A 56 -0.033 10.137 -3.312 1.00 0.00 C ATOM 908 O ASP A 56 1.048 10.125 -2.714 1.00 0.00 O ATOM 909 CB ASP A 56 -1.254 10.684 -1.133 1.00 0.00 C ATOM 910 CG ASP A 56 -0.780 12.146 -1.149 1.00 0.00 C ATOM 911 OD1 ASP A 56 -0.334 12.665 -2.202 1.00 0.00 O ATOM 912 OD2 ASP A 56 -0.878 12.820 -0.098 1.00 0.00 O ATOM 0 H ASP A 56 -1.095 8.109 -1.897 1.00 0.00 H new ATOM 0 HA ASP A 56 -2.111 10.667 -3.047 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -2.230 10.629 -0.651 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -0.566 10.091 -0.530 1.00 0.00 H new ATOM 917 N PRO A 57 -0.072 10.186 -4.654 1.00 0.00 N ATOM 918 CA PRO A 57 1.136 10.185 -5.459 1.00 0.00 C ATOM 919 C PRO A 57 1.916 11.502 -5.359 1.00 0.00 C ATOM 920 O PRO A 57 2.983 11.580 -5.959 1.00 0.00 O ATOM 921 CB PRO A 57 0.678 9.865 -6.886 1.00 0.00 C ATOM 922 CG PRO A 57 -0.742 10.416 -6.930 1.00 0.00 C ATOM 923 CD PRO A 57 -1.251 10.208 -5.506 1.00 0.00 C ATOM 0 HA PRO A 57 1.848 9.441 -5.103 1.00 0.00 H new ATOM 0 HB2 PRO A 57 1.317 10.341 -7.630 1.00 0.00 H new ATOM 0 HB3 PRO A 57 0.700 8.794 -7.085 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -0.755 11.469 -7.211 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -1.356 9.885 -7.657 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -1.928 11.010 -5.213 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -1.808 9.275 -5.424 1.00 0.00 H new ATOM 931 N ARG A 58 1.436 12.512 -4.613 1.00 0.00 N ATOM 932 CA ARG A 58 2.165 13.749 -4.321 1.00 0.00 C ATOM 933 C ARG A 58 3.050 13.519 -3.093 1.00 0.00 C ATOM 934 O ARG A 58 4.168 14.044 -3.028 1.00 0.00 O ATOM 935 CB ARG A 58 1.221 14.933 -4.057 1.00 0.00 C ATOM 936 CG ARG A 58 0.216 15.287 -5.169 1.00 0.00 C ATOM 937 CD ARG A 58 -0.882 14.233 -5.405 1.00 0.00 C ATOM 938 NE ARG A 58 -2.081 14.769 -6.076 1.00 0.00 N ATOM 939 CZ ARG A 58 -2.601 14.358 -7.242 1.00 0.00 C ATOM 940 NH1 ARG A 58 -1.900 13.598 -8.078 1.00 0.00 N ATOM 941 NH2 ARG A 58 -3.834 14.713 -7.573 1.00 0.00 N ATOM 0 H ARG A 58 0.509 12.486 -4.189 1.00 0.00 H new ATOM 0 HA ARG A 58 2.767 14.002 -5.194 1.00 0.00 H new ATOM 0 HB2 ARG A 58 0.659 14.722 -3.147 1.00 0.00 H new ATOM 0 HB3 ARG A 58 1.831 15.814 -3.858 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -0.258 16.237 -4.922 1.00 0.00 H new ATOM 0 HG3 ARG A 58 0.763 15.436 -6.100 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -0.472 13.422 -6.006 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -1.174 13.804 -4.447 1.00 0.00 H new ATOM 0 HE ARG A 58 -2.566 15.532 -5.604 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -0.949 13.318 -7.837 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -2.313 13.295 -8.960 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -4.383 15.296 -6.942 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -4.234 14.403 -8.459 1.00 0.00 H new ATOM 955 N LYS A 59 2.602 12.698 -2.135 1.00 0.00 N ATOM 956 CA LYS A 59 3.430 12.204 -1.036 1.00 0.00 C ATOM 957 C LYS A 59 4.382 11.156 -1.579 1.00 0.00 C ATOM 958 O LYS A 59 5.590 11.259 -1.355 1.00 0.00 O ATOM 959 CB LYS A 59 2.539 11.598 0.065 1.00 0.00 C ATOM 960 CG LYS A 59 3.342 11.154 1.293 1.00 0.00 C ATOM 961 CD LYS A 59 2.456 10.418 2.300 1.00 0.00 C ATOM 962 CE LYS A 59 1.395 11.320 2.926 1.00 0.00 C ATOM 963 NZ LYS A 59 0.690 10.634 4.021 1.00 0.00 N ATOM 0 H LYS A 59 1.642 12.356 -2.104 1.00 0.00 H new ATOM 0 HA LYS A 59 3.999 13.026 -0.601 1.00 0.00 H new ATOM 0 HB2 LYS A 59 1.793 12.332 0.369 1.00 0.00 H new ATOM 0 HB3 LYS A 59 1.998 10.743 -0.340 1.00 0.00 H new ATOM 0 HG2 LYS A 59 4.159 10.503 0.980 1.00 0.00 H new ATOM 0 HG3 LYS A 59 3.793 12.025 1.770 1.00 0.00 H new ATOM 0 HD2 LYS A 59 1.967 9.581 1.802 1.00 0.00 H new ATOM 0 HD3 LYS A 59 3.081 9.999 3.089 1.00 0.00 H new ATOM 0 HE2 LYS A 59 1.864 12.228 3.305 1.00 0.00 H new ATOM 0 HE3 LYS A 59 0.678 11.625 2.164 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 0.278 11.340 4.665 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -0.068 10.040 3.628 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 1.361 10.037 4.546 1.00 0.00 H new ATOM 977 N ARG A 60 3.865 10.158 -2.304 1.00 0.00 N ATOM 978 CA ARG A 60 4.682 9.173 -2.975 1.00 0.00 C ATOM 979 C ARG A 60 5.594 9.779 -4.023 1.00 0.00 C ATOM 980 O ARG A 60 6.449 9.051 -4.491 1.00 0.00 O ATOM 981 CB ARG A 60 3.799 8.073 -3.592 1.00 0.00 C ATOM 982 CG ARG A 60 4.473 6.728 -3.325 1.00 0.00 C ATOM 983 CD ARG A 60 3.657 5.517 -3.776 1.00 0.00 C ATOM 984 NE ARG A 60 4.381 4.727 -4.785 1.00 0.00 N ATOM 985 CZ ARG A 60 4.914 3.504 -4.652 1.00 0.00 C ATOM 986 NH1 ARG A 60 5.082 2.946 -3.457 1.00 0.00 N ATOM 987 NH2 ARG A 60 5.285 2.843 -5.741 1.00 0.00 N ATOM 0 H ARG A 60 2.863 10.021 -2.435 1.00 0.00 H new ATOM 0 HA ARG A 60 5.330 8.731 -2.218 1.00 0.00 H new ATOM 0 HB2 ARG A 60 2.801 8.094 -3.154 1.00 0.00 H new ATOM 0 HB3 ARG A 60 3.680 8.235 -4.663 1.00 0.00 H new ATOM 0 HG2 ARG A 60 5.438 6.711 -3.832 1.00 0.00 H new ATOM 0 HG3 ARG A 60 4.673 6.640 -2.257 1.00 0.00 H new ATOM 0 HD2 ARG A 60 3.429 4.889 -2.915 1.00 0.00 H new ATOM 0 HD3 ARG A 60 2.705 5.851 -4.188 1.00 0.00 H new ATOM 0 HE ARG A 60 4.491 5.165 -5.700 1.00 0.00 H new ATOM 0 HH11 ARG A 60 4.803 3.450 -2.615 1.00 0.00 H new ATOM 0 HH12 ARG A 60 5.490 2.014 -3.382 1.00 0.00 H new ATOM 0 HH21 ARG A 60 5.163 3.266 -6.661 1.00 0.00 H new ATOM 0 HH22 ARG A 60 5.692 1.912 -5.658 1.00 0.00 H new ATOM 1001 N GLU A 61 5.478 11.051 -4.399 1.00 0.00 N ATOM 1002 CA GLU A 61 6.234 11.636 -5.500 1.00 0.00 C ATOM 1003 C GLU A 61 7.745 11.548 -5.262 1.00 0.00 C ATOM 1004 O GLU A 61 8.512 11.511 -6.224 1.00 0.00 O ATOM 1005 CB GLU A 61 5.756 13.076 -5.707 1.00 0.00 C ATOM 1006 CG GLU A 61 5.729 13.524 -7.172 1.00 0.00 C ATOM 1007 CD GLU A 61 4.499 14.396 -7.457 1.00 0.00 C ATOM 1008 OE1 GLU A 61 4.434 15.557 -6.992 1.00 0.00 O ATOM 1009 OE2 GLU A 61 3.564 13.916 -8.139 1.00 0.00 O ATOM 0 H GLU A 61 4.849 11.710 -3.941 1.00 0.00 H new ATOM 0 HA GLU A 61 6.051 11.069 -6.413 1.00 0.00 H new ATOM 0 HB2 GLU A 61 4.755 13.178 -5.289 1.00 0.00 H new ATOM 0 HB3 GLU A 61 6.406 13.747 -5.145 1.00 0.00 H new ATOM 0 HG2 GLU A 61 6.636 14.082 -7.402 1.00 0.00 H new ATOM 0 HG3 GLU A 61 5.719 12.650 -7.823 1.00 0.00 H new ATOM 1016 N ILE A 62 8.180 11.451 -3.996 1.00 0.00 N ATOM 1017 CA ILE A 62 9.564 11.099 -3.696 1.00 0.00 C ATOM 1018 C ILE A 62 9.744 9.617 -3.995 1.00 0.00 C ATOM 1019 O ILE A 62 10.513 9.303 -4.892 1.00 0.00 O ATOM 1020 CB ILE A 62 9.979 11.475 -2.256 1.00 0.00 C ATOM 1021 CG1 ILE A 62 9.780 13.000 -2.118 1.00 0.00 C ATOM 1022 CG2 ILE A 62 11.434 11.053 -1.958 1.00 0.00 C ATOM 1023 CD1 ILE A 62 10.385 13.610 -0.860 1.00 0.00 C ATOM 0 H ILE A 62 7.595 11.611 -3.176 1.00 0.00 H new ATOM 0 HA ILE A 62 10.234 11.682 -4.328 1.00 0.00 H new ATOM 0 HB ILE A 62 9.367 10.946 -1.526 1.00 0.00 H new ATOM 0 HG12 ILE A 62 10.216 13.490 -2.989 1.00 0.00 H new ATOM 0 HG13 ILE A 62 8.712 13.216 -2.132 1.00 0.00 H new ATOM 0 HG21 ILE A 62 11.692 11.333 -0.937 1.00 0.00 H new ATOM 0 HG22 ILE A 62 11.531 9.973 -2.074 1.00 0.00 H new ATOM 0 HG23 ILE A 62 12.108 11.554 -2.653 1.00 0.00 H new ATOM 0 HD11 ILE A 62 10.196 14.683 -0.849 1.00 0.00 H new ATOM 0 HD12 ILE A 62 9.932 13.153 0.020 1.00 0.00 H new ATOM 0 HD13 ILE A 62 11.460 13.431 -0.850 1.00 0.00 H new ATOM 1035 N PHE A 63 9.072 8.701 -3.291 1.00 0.00 N ATOM 1036 CA PHE A 63 9.332 7.271 -3.427 1.00 0.00 C ATOM 1037 C PHE A 63 9.115 6.752 -4.861 1.00 0.00 C ATOM 1038 O PHE A 63 9.737 5.782 -5.285 1.00 0.00 O ATOM 1039 CB PHE A 63 8.434 6.536 -2.419 1.00 0.00 C ATOM 1040 CG PHE A 63 8.554 5.024 -2.349 1.00 0.00 C ATOM 1041 CD1 PHE A 63 8.048 4.206 -3.376 1.00 0.00 C ATOM 1042 CD2 PHE A 63 9.135 4.420 -1.221 1.00 0.00 C ATOM 1043 CE1 PHE A 63 8.141 2.808 -3.278 1.00 0.00 C ATOM 1044 CE2 PHE A 63 9.177 3.021 -1.096 1.00 0.00 C ATOM 1045 CZ PHE A 63 8.670 2.210 -2.124 1.00 0.00 C ATOM 0 H PHE A 63 8.340 8.930 -2.618 1.00 0.00 H new ATOM 0 HA PHE A 63 10.384 7.079 -3.215 1.00 0.00 H new ATOM 0 HB2 PHE A 63 8.643 6.937 -1.427 1.00 0.00 H new ATOM 0 HB3 PHE A 63 7.397 6.781 -2.650 1.00 0.00 H new ATOM 0 HD1 PHE A 63 7.586 4.655 -4.243 1.00 0.00 H new ATOM 0 HD2 PHE A 63 9.554 5.038 -0.441 1.00 0.00 H new ATOM 0 HE1 PHE A 63 7.803 2.189 -4.096 1.00 0.00 H new ATOM 0 HE2 PHE A 63 9.599 2.570 -0.210 1.00 0.00 H new ATOM 0 HZ PHE A 63 8.687 1.134 -2.027 1.00 0.00 H new ATOM 1055 N ASP A 64 8.244 7.380 -5.643 1.00 0.00 N ATOM 1056 CA ASP A 64 7.926 7.045 -7.029 1.00 0.00 C ATOM 1057 C ASP A 64 9.179 7.143 -7.912 1.00 0.00 C ATOM 1058 O ASP A 64 9.383 6.329 -8.818 1.00 0.00 O ATOM 1059 CB ASP A 64 6.815 8.001 -7.496 1.00 0.00 C ATOM 1060 CG ASP A 64 6.064 7.561 -8.746 1.00 0.00 C ATOM 1061 OD1 ASP A 64 6.203 6.397 -9.192 1.00 0.00 O ATOM 1062 OD2 ASP A 64 5.191 8.334 -9.198 1.00 0.00 O ATOM 0 H ASP A 64 7.710 8.182 -5.309 1.00 0.00 H new ATOM 0 HA ASP A 64 7.576 6.016 -7.108 1.00 0.00 H new ATOM 0 HB2 ASP A 64 6.098 8.123 -6.684 1.00 0.00 H new ATOM 0 HB3 ASP A 64 7.255 8.981 -7.682 1.00 0.00 H new ATOM 1067 N ARG A 65 10.086 8.056 -7.550 1.00 0.00 N ATOM 1068 CA ARG A 65 11.354 8.359 -8.208 1.00 0.00 C ATOM 1069 C ARG A 65 12.500 7.731 -7.407 1.00 0.00 C ATOM 1070 O ARG A 65 13.264 6.925 -7.935 1.00 0.00 O ATOM 1071 CB ARG A 65 11.430 9.892 -8.315 1.00 0.00 C ATOM 1072 CG ARG A 65 12.812 10.552 -8.447 1.00 0.00 C ATOM 1073 CD ARG A 65 13.045 11.195 -9.812 1.00 0.00 C ATOM 1074 NE ARG A 65 13.297 10.190 -10.852 1.00 0.00 N ATOM 1075 CZ ARG A 65 13.125 10.363 -12.166 1.00 0.00 C ATOM 1076 NH1 ARG A 65 12.643 11.503 -12.650 1.00 0.00 N ATOM 1077 NH2 ARG A 65 13.456 9.388 -13.000 1.00 0.00 N ATOM 0 H ARG A 65 9.939 8.644 -6.729 1.00 0.00 H new ATOM 0 HA ARG A 65 11.433 7.938 -9.210 1.00 0.00 H new ATOM 0 HB2 ARG A 65 10.835 10.194 -9.177 1.00 0.00 H new ATOM 0 HB3 ARG A 65 10.946 10.310 -7.432 1.00 0.00 H new ATOM 0 HG2 ARG A 65 12.920 11.311 -7.672 1.00 0.00 H new ATOM 0 HG3 ARG A 65 13.583 9.803 -8.269 1.00 0.00 H new ATOM 0 HD2 ARG A 65 12.175 11.791 -10.086 1.00 0.00 H new ATOM 0 HD3 ARG A 65 13.893 11.877 -9.753 1.00 0.00 H new ATOM 0 HE ARG A 65 13.634 9.278 -10.544 1.00 0.00 H new ATOM 0 HH11 ARG A 65 12.398 12.263 -12.016 1.00 0.00 H new ATOM 0 HH12 ARG A 65 12.518 11.618 -13.656 1.00 0.00 H new ATOM 0 HH21 ARG A 65 13.838 8.515 -12.637 1.00 0.00 H new ATOM 0 HH22 ARG A 65 13.328 9.511 -14.004 1.00 0.00 H new ATOM 1091 N TYR A 66 12.607 8.095 -6.134 1.00 0.00 N ATOM 1092 CA TYR A 66 13.658 7.804 -5.176 1.00 0.00 C ATOM 1093 C TYR A 66 13.088 6.881 -4.094 1.00 0.00 C ATOM 1094 O TYR A 66 13.134 7.198 -2.909 1.00 0.00 O ATOM 1095 CB TYR A 66 14.168 9.104 -4.517 1.00 0.00 C ATOM 1096 CG TYR A 66 14.588 10.267 -5.389 1.00 0.00 C ATOM 1097 CD1 TYR A 66 15.731 10.152 -6.199 1.00 0.00 C ATOM 1098 CD2 TYR A 66 13.930 11.509 -5.274 1.00 0.00 C ATOM 1099 CE1 TYR A 66 16.229 11.278 -6.874 1.00 0.00 C ATOM 1100 CE2 TYR A 66 14.433 12.645 -5.932 1.00 0.00 C ATOM 1101 CZ TYR A 66 15.598 12.532 -6.723 1.00 0.00 C ATOM 1102 OH TYR A 66 16.129 13.613 -7.355 1.00 0.00 O ATOM 0 H TYR A 66 11.877 8.664 -5.705 1.00 0.00 H new ATOM 0 HA TYR A 66 14.491 7.325 -5.691 1.00 0.00 H new ATOM 0 HB2 TYR A 66 13.383 9.462 -3.851 1.00 0.00 H new ATOM 0 HB3 TYR A 66 15.021 8.840 -3.892 1.00 0.00 H new ATOM 0 HD1 TYR A 66 16.226 9.198 -6.302 1.00 0.00 H new ATOM 0 HD2 TYR A 66 13.034 11.588 -4.677 1.00 0.00 H new ATOM 0 HE1 TYR A 66 17.097 11.185 -7.510 1.00 0.00 H new ATOM 0 HE2 TYR A 66 13.933 13.597 -5.833 1.00 0.00 H new ATOM 0 HH TYR A 66 15.587 14.405 -7.159 1.00 0.00 H new ATOM 1112 N GLY A 67 12.497 5.755 -4.474 1.00 0.00 N ATOM 1113 CA GLY A 67 11.948 4.798 -3.508 1.00 0.00 C ATOM 1114 C GLY A 67 12.966 4.428 -2.445 1.00 0.00 C ATOM 1115 O GLY A 67 12.750 4.617 -1.251 1.00 0.00 O ATOM 0 H GLY A 67 12.383 5.477 -5.449 1.00 0.00 H new ATOM 0 HA2 GLY A 67 11.065 5.226 -3.033 1.00 0.00 H new ATOM 0 HA3 GLY A 67 11.624 3.898 -4.031 1.00 0.00 H new ATOM 1119 N GLU A 68 14.098 3.936 -2.920 1.00 0.00 N ATOM 1120 CA GLU A 68 15.145 3.369 -2.095 1.00 0.00 C ATOM 1121 C GLU A 68 16.120 4.458 -1.633 1.00 0.00 C ATOM 1122 O GLU A 68 16.551 4.463 -0.482 1.00 0.00 O ATOM 1123 CB GLU A 68 15.796 2.267 -2.945 1.00 0.00 C ATOM 1124 CG GLU A 68 16.602 1.229 -2.161 1.00 0.00 C ATOM 1125 CD GLU A 68 16.657 -0.071 -2.968 1.00 0.00 C ATOM 1126 OE1 GLU A 68 17.362 -0.133 -3.999 1.00 0.00 O ATOM 1127 OE2 GLU A 68 15.915 -1.026 -2.637 1.00 0.00 O ATOM 0 H GLU A 68 14.317 3.921 -3.916 1.00 0.00 H new ATOM 0 HA GLU A 68 14.765 2.936 -1.170 1.00 0.00 H new ATOM 0 HB2 GLU A 68 15.014 1.751 -3.502 1.00 0.00 H new ATOM 0 HB3 GLU A 68 16.453 2.736 -3.677 1.00 0.00 H new ATOM 0 HG2 GLU A 68 17.610 1.599 -1.973 1.00 0.00 H new ATOM 0 HG3 GLU A 68 16.142 1.050 -1.189 1.00 0.00 H new ATOM 1134 N GLU A 69 16.449 5.414 -2.506 1.00 0.00 N ATOM 1135 CA GLU A 69 17.394 6.481 -2.204 1.00 0.00 C ATOM 1136 C GLU A 69 16.758 7.606 -1.375 1.00 0.00 C ATOM 1137 O GLU A 69 17.460 8.312 -0.647 1.00 0.00 O ATOM 1138 CB GLU A 69 17.935 7.000 -3.544 1.00 0.00 C ATOM 1139 CG GLU A 69 19.000 8.090 -3.379 1.00 0.00 C ATOM 1140 CD GLU A 69 19.632 8.510 -4.705 1.00 0.00 C ATOM 1141 OE1 GLU A 69 19.975 7.652 -5.548 1.00 0.00 O ATOM 1142 OE2 GLU A 69 19.838 9.721 -4.936 1.00 0.00 O ATOM 0 H GLU A 69 16.062 5.465 -3.448 1.00 0.00 H new ATOM 0 HA GLU A 69 18.205 6.095 -1.587 1.00 0.00 H new ATOM 0 HB2 GLU A 69 18.359 6.167 -4.105 1.00 0.00 H new ATOM 0 HB3 GLU A 69 17.108 7.394 -4.135 1.00 0.00 H new ATOM 0 HG2 GLU A 69 18.550 8.962 -2.905 1.00 0.00 H new ATOM 0 HG3 GLU A 69 19.780 7.730 -2.708 1.00 0.00 H new ATOM 1149 N GLY A 70 15.447 7.805 -1.492 1.00 0.00 N ATOM 1150 CA GLY A 70 14.754 9.005 -1.044 1.00 0.00 C ATOM 1151 C GLY A 70 14.029 8.796 0.271 1.00 0.00 C ATOM 1152 O GLY A 70 14.031 9.689 1.119 1.00 0.00 O ATOM 0 H GLY A 70 14.823 7.116 -1.913 1.00 0.00 H new ATOM 0 HA2 GLY A 70 15.473 9.817 -0.935 1.00 0.00 H new ATOM 0 HA3 GLY A 70 14.038 9.314 -1.806 1.00 0.00 H new ATOM 1156 N LEU A 71 13.364 7.647 0.427 1.00 0.00 N ATOM 1157 CA LEU A 71 12.505 7.419 1.575 1.00 0.00 C ATOM 1158 C LEU A 71 13.385 7.162 2.797 1.00 0.00 C ATOM 1159 O LEU A 71 14.065 6.138 2.867 1.00 0.00 O ATOM 1160 CB LEU A 71 11.541 6.260 1.298 1.00 0.00 C ATOM 1161 CG LEU A 71 10.411 6.230 2.343 1.00 0.00 C ATOM 1162 CD1 LEU A 71 9.369 7.322 2.049 1.00 0.00 C ATOM 1163 CD2 LEU A 71 9.719 4.867 2.398 1.00 0.00 C ATOM 0 H LEU A 71 13.409 6.867 -0.229 1.00 0.00 H new ATOM 0 HA LEU A 71 11.889 8.297 1.771 1.00 0.00 H new ATOM 0 HB2 LEU A 71 11.117 6.364 0.299 1.00 0.00 H new ATOM 0 HB3 LEU A 71 12.085 5.316 1.316 1.00 0.00 H new ATOM 0 HG LEU A 71 10.871 6.418 3.313 1.00 0.00 H new ATOM 0 HD11 LEU A 71 8.579 7.283 2.799 1.00 0.00 H new ATOM 0 HD12 LEU A 71 9.849 8.300 2.078 1.00 0.00 H new ATOM 0 HD13 LEU A 71 8.939 7.158 1.061 1.00 0.00 H new ATOM 0 HD21 LEU A 71 8.929 4.890 3.148 1.00 0.00 H new ATOM 0 HD22 LEU A 71 9.288 4.638 1.423 1.00 0.00 H new ATOM 0 HD23 LEU A 71 10.447 4.100 2.662 1.00 0.00 H new